USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot -5:sc= 0.0597 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 K(o=-0.84,f=-1.6) USER MOD Set 1.3: A 57 CYS SG : rot -63:sc= -1.5 USER MOD Set 1.4: A 75 CYS SG : rot -123:sc= -0.141 USER MOD Set 1.5: A 78 CYS SG : rot 82:sc= 0.744 USER MOD Set 2.1: A 28 CYS SG : rot 139:sc= 2.07 USER MOD Set 2.2: A 31 CYS SG : rot -60:sc= 0.00714 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -0.925! C(o=1.2!,f=-6.3!) USER MOD Single : A 14 GLN : amide:sc= -0.0927 K(o=-0.093,f=-0.97) USER MOD Single : A 18 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.002) USER MOD Single : A 23 LYS NZ :NH3+ 138:sc= -0.0906 (180deg=-2.59!) USER MOD Single : A 25 THR OG1 : rot 64:sc= 0.0855 USER MOD Single : A 27 MET CE :methyl 141:sc= -1.35 (180deg=-3.33) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.604 K(o=-0.6,f=-2) USER MOD Single : A 33 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 18:sc= 0.17 USER MOD Single : A 53 ASN : amide:sc= -1.67 K(o=-1.7,f=-6.8!) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0111 (180deg=-0.144) USER MOD Single : A 59 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -133:sc= -0.865 (180deg=-4.45) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0272 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -0.297 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.401 5.410 8.523 1.00 0.00 N ATOM 122 CA LEU A 12 6.627 6.369 7.744 1.00 0.00 C ATOM 123 C LEU A 12 5.482 5.677 7.010 1.00 0.00 C ATOM 124 O LEU A 12 4.436 6.278 6.762 1.00 0.00 O ATOM 125 CB LEU A 12 7.530 7.088 6.740 1.00 0.00 C ATOM 126 CG LEU A 12 7.933 6.284 5.504 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.317 7.214 4.364 1.00 0.00 C ATOM 128 CD2 LEU A 12 9.080 5.339 5.833 1.00 0.00 C ATOM 0 HA LEU A 12 6.204 7.101 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.023 7.994 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.437 7.401 7.257 1.00 0.00 H new ATOM 0 HG LEU A 12 7.077 5.688 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.601 6.624 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.468 7.849 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.158 7.837 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.354 4.775 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.939 5.915 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.769 4.649 6.618 1.00 0.00 H new ATOM 140 N VAL A 13 5.686 4.409 6.668 1.00 0.00 N ATOM 141 CA VAL A 13 4.670 3.634 5.966 1.00 0.00 C ATOM 142 C VAL A 13 3.278 3.925 6.517 1.00 0.00 C ATOM 143 O VAL A 13 3.008 3.698 7.696 1.00 0.00 O ATOM 144 CB VAL A 13 4.945 2.122 6.071 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.786 1.327 5.492 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.248 1.769 5.370 1.00 0.00 C ATOM 0 H VAL A 13 6.546 3.897 6.866 1.00 0.00 H new ATOM 0 HA VAL A 13 4.713 3.932 4.918 1.00 0.00 H new ATOM 0 HB VAL A 13 5.043 1.860 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.998 0.261 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.874 1.559 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.653 1.590 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.427 0.697 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.181 2.045 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.070 2.312 5.836 1.00 0.00 H new ATOM 156 N GLN A 14 2.400 4.429 5.656 1.00 0.00 N ATOM 157 CA GLN A 14 1.036 4.752 6.057 1.00 0.00 C ATOM 158 C GLN A 14 0.126 3.537 5.916 1.00 0.00 C ATOM 159 O GLN A 14 0.571 2.457 5.528 1.00 0.00 O ATOM 160 CB GLN A 14 0.495 5.910 5.217 1.00 0.00 C ATOM 161 CG GLN A 14 1.360 7.159 5.274 1.00 0.00 C ATOM 162 CD GLN A 14 1.252 8.002 4.019 1.00 0.00 C ATOM 163 OE1 GLN A 14 1.185 7.475 2.908 1.00 0.00 O ATOM 164 NE2 GLN A 14 1.233 9.319 4.189 1.00 0.00 N ATOM 0 H GLN A 14 2.609 4.622 4.677 1.00 0.00 H new ATOM 0 HA GLN A 14 1.053 5.051 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.407 5.586 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.510 6.158 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.069 7.759 6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.400 6.869 5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.291 9.713 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.161 9.937 3.380 1.00 0.00 H new ATOM 173 N ARG A 15 -1.152 3.720 6.234 1.00 0.00 N ATOM 174 CA ARG A 15 -2.125 2.639 6.144 1.00 0.00 C ATOM 175 C ARG A 15 -3.530 3.189 5.920 1.00 0.00 C ATOM 176 O ARG A 15 -3.882 4.249 6.437 1.00 0.00 O ATOM 177 CB ARG A 15 -2.094 1.789 7.415 1.00 0.00 C ATOM 178 CG ARG A 15 -0.793 1.027 7.607 1.00 0.00 C ATOM 179 CD ARG A 15 -0.938 -0.068 8.652 1.00 0.00 C ATOM 180 NE ARG A 15 -1.918 -1.076 8.257 1.00 0.00 N ATOM 181 CZ ARG A 15 -1.838 -2.355 8.606 1.00 0.00 C ATOM 182 NH1 ARG A 15 -0.830 -2.780 9.355 1.00 0.00 N ATOM 183 NH2 ARG A 15 -2.769 -3.213 8.207 1.00 0.00 N ATOM 0 H ARG A 15 -1.537 4.608 6.556 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.859 2.014 5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.258 2.435 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.920 1.079 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.484 0.588 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.006 1.718 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.028 -0.546 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.237 0.375 9.602 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.707 -0.782 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.113 -2.124 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.772 -3.763 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.547 -2.890 7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.706 -4.195 8.476 1.00 0.00 H new ATOM 197 N ALA A 16 -4.330 2.460 5.148 1.00 0.00 N ATOM 198 CA ALA A 16 -5.697 2.875 4.858 1.00 0.00 C ATOM 199 C ALA A 16 -6.692 2.156 5.762 1.00 0.00 C ATOM 200 O ALA A 16 -6.704 0.927 5.833 1.00 0.00 O ATOM 201 CB ALA A 16 -6.028 2.616 3.395 1.00 0.00 C ATOM 0 H ALA A 16 -4.055 1.580 4.713 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.775 3.945 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.052 2.931 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.343 3.180 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.926 1.552 3.182 1.00 0.00 H new ATOM 207 N GLU A 17 -7.524 2.930 6.452 1.00 0.00 N ATOM 208 CA GLU A 17 -8.521 2.365 7.354 1.00 0.00 C ATOM 209 C GLU A 17 -9.635 1.676 6.570 1.00 0.00 C ATOM 210 O GLU A 17 -10.308 2.299 5.749 1.00 0.00 O ATOM 211 CB GLU A 17 -9.112 3.458 8.246 1.00 0.00 C ATOM 212 CG GLU A 17 -9.637 2.942 9.575 1.00 0.00 C ATOM 213 CD GLU A 17 -10.060 4.059 10.509 1.00 0.00 C ATOM 214 OE1 GLU A 17 -10.834 4.937 10.070 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.619 4.057 11.677 1.00 0.00 O ATOM 0 H GLU A 17 -7.527 3.949 6.404 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.027 1.622 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.349 4.213 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.924 3.952 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.486 2.283 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.865 2.342 10.058 1.00 0.00 H new ATOM 222 N HIS A 18 -9.822 0.386 6.830 1.00 0.00 N ATOM 223 CA HIS A 18 -10.854 -0.389 6.149 1.00 0.00 C ATOM 224 C HIS A 18 -12.245 0.033 6.613 1.00 0.00 C ATOM 225 O HIS A 18 -12.594 -0.127 7.783 1.00 0.00 O ATOM 226 CB HIS A 18 -10.650 -1.883 6.403 1.00 0.00 C ATOM 227 CG HIS A 18 -9.383 -2.424 5.814 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.356 -3.483 4.932 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.095 -2.044 5.984 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.106 -3.733 4.586 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.321 -2.873 5.210 1.00 0.00 N ATOM 0 H HIS A 18 -9.273 -0.145 7.507 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.773 -0.196 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.647 -2.063 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.496 -2.432 5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.742 -1.239 6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.781 -4.509 3.908 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.305 -2.832 5.130 1.00 0.00 H new ATOM 240 N ILE A 19 -13.033 0.572 5.689 1.00 0.00 N ATOM 241 CA ILE A 19 -14.385 1.016 6.004 1.00 0.00 C ATOM 242 C ILE A 19 -15.422 0.020 5.498 1.00 0.00 C ATOM 243 O ILE A 19 -15.395 -0.411 4.345 1.00 0.00 O ATOM 244 CB ILE A 19 -14.679 2.400 5.395 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.677 3.433 5.915 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.103 2.828 5.716 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.839 3.746 7.386 1.00 0.00 C ATOM 0 H ILE A 19 -12.759 0.712 4.717 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.450 1.085 7.090 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.575 2.334 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.666 3.066 5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.786 4.354 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.296 3.808 5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.803 2.102 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.232 2.881 6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.096 4.485 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.838 4.143 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.700 2.836 7.969 1.00 0.00 H new ATOM 259 N PRO A 20 -16.362 -0.354 6.378 1.00 0.00 N ATOM 260 CA PRO A 20 -17.429 -1.301 6.043 1.00 0.00 C ATOM 261 C PRO A 20 -18.440 -0.714 5.064 1.00 0.00 C ATOM 262 O PRO A 20 -18.473 0.496 4.843 1.00 0.00 O ATOM 263 CB PRO A 20 -18.093 -1.581 7.394 1.00 0.00 C ATOM 264 CG PRO A 20 -17.806 -0.372 8.215 1.00 0.00 C ATOM 265 CD PRO A 20 -16.457 0.121 7.769 1.00 0.00 C ATOM 0 HA PRO A 20 -17.042 -2.193 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.166 -1.738 7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.685 -2.480 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.569 0.391 8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.801 -0.614 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.387 1.207 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.656 -0.285 8.388 1.00 0.00 H new ATOM 273 N ALA A 21 -19.264 -1.578 4.481 1.00 0.00 N ATOM 274 CA ALA A 21 -20.278 -1.144 3.529 1.00 0.00 C ATOM 275 C ALA A 21 -21.448 -0.473 4.240 1.00 0.00 C ATOM 276 O ALA A 21 -21.725 -0.757 5.404 1.00 0.00 O ATOM 277 CB ALA A 21 -20.767 -2.325 2.703 1.00 0.00 C ATOM 0 H ALA A 21 -19.249 -2.584 4.652 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.824 -0.411 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.524 -1.986 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.929 -2.759 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.198 -3.077 3.363 1.00 0.00 H new ATOM 283 N GLY A 22 -22.133 0.420 3.531 1.00 0.00 N ATOM 284 CA GLY A 22 -23.265 1.118 4.111 1.00 0.00 C ATOM 285 C GLY A 22 -22.841 2.225 5.056 1.00 0.00 C ATOM 286 O GLY A 22 -23.336 3.349 4.971 1.00 0.00 O ATOM 0 H GLY A 22 -21.924 0.672 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.876 1.540 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.891 0.405 4.648 1.00 0.00 H new ATOM 290 N LYS A 23 -21.921 1.908 5.962 1.00 0.00 N ATOM 291 CA LYS A 23 -21.430 2.883 6.928 1.00 0.00 C ATOM 292 C LYS A 23 -21.065 4.195 6.240 1.00 0.00 C ATOM 293 O LYS A 23 -21.364 5.276 6.746 1.00 0.00 O ATOM 294 CB LYS A 23 -20.212 2.328 7.670 1.00 0.00 C ATOM 295 CG LYS A 23 -19.627 3.293 8.686 1.00 0.00 C ATOM 296 CD LYS A 23 -18.564 4.182 8.064 1.00 0.00 C ATOM 297 CE LYS A 23 -18.027 5.193 9.066 1.00 0.00 C ATOM 298 NZ LYS A 23 -16.679 5.694 8.680 1.00 0.00 N ATOM 0 H LYS A 23 -21.501 0.983 6.047 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.227 3.079 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.496 1.406 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.442 2.068 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.423 3.912 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.194 2.732 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.745 3.566 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.983 4.706 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.719 6.032 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.975 4.734 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.631 6.720 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.954 5.219 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.509 5.494 7.674 1.00 0.00 H new ATOM 312 N ARG A 24 -20.420 4.091 5.083 1.00 0.00 N ATOM 313 CA ARG A 24 -20.015 5.269 4.325 1.00 0.00 C ATOM 314 C ARG A 24 -19.991 4.971 2.829 1.00 0.00 C ATOM 315 O ARG A 24 -19.518 3.917 2.402 1.00 0.00 O ATOM 316 CB ARG A 24 -18.636 5.747 4.784 1.00 0.00 C ATOM 317 CG ARG A 24 -18.690 6.830 5.849 1.00 0.00 C ATOM 318 CD ARG A 24 -18.664 8.220 5.233 1.00 0.00 C ATOM 319 NE ARG A 24 -20.008 8.730 4.977 1.00 0.00 N ATOM 320 CZ ARG A 24 -20.744 9.353 5.890 1.00 0.00 C ATOM 321 NH1 ARG A 24 -20.269 9.543 7.113 1.00 0.00 N ATOM 322 NH2 ARG A 24 -21.958 9.789 5.580 1.00 0.00 N ATOM 0 H ARG A 24 -20.167 3.203 4.650 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.745 6.058 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.076 4.896 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.086 6.124 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.596 6.712 6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -17.845 6.716 6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -18.138 8.903 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.103 8.192 4.299 1.00 0.00 H new ATOM 0 HE ARG A 24 -20.403 8.601 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.336 9.210 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.837 10.022 7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -22.327 9.646 4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -22.523 10.267 6.282 1.00 0.00 H new ATOM 336 N THR A 25 -20.503 5.907 2.036 1.00 0.00 N ATOM 337 CA THR A 25 -20.542 5.745 0.588 1.00 0.00 C ATOM 338 C THR A 25 -20.092 7.018 -0.119 1.00 0.00 C ATOM 339 O THR A 25 -20.826 7.610 -0.911 1.00 0.00 O ATOM 340 CB THR A 25 -21.956 5.374 0.102 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.907 6.327 0.589 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.341 3.980 0.573 1.00 0.00 C ATOM 0 H THR A 25 -20.897 6.786 2.373 1.00 0.00 H new ATOM 0 HA THR A 25 -19.857 4.934 0.342 1.00 0.00 H new ATOM 0 HB THR A 25 -21.957 5.385 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.716 7.207 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.343 3.740 0.218 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.632 3.253 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.324 3.946 1.662 1.00 0.00 H new ATOM 350 N PRO A 26 -18.856 7.451 0.169 1.00 0.00 N ATOM 351 CA PRO A 26 -18.279 8.658 -0.431 1.00 0.00 C ATOM 352 C PRO A 26 -17.976 8.479 -1.914 1.00 0.00 C ATOM 353 O PRO A 26 -18.251 7.428 -2.491 1.00 0.00 O ATOM 354 CB PRO A 26 -16.984 8.863 0.359 1.00 0.00 C ATOM 355 CG PRO A 26 -16.623 7.505 0.854 1.00 0.00 C ATOM 356 CD PRO A 26 -17.925 6.795 1.104 1.00 0.00 C ATOM 0 HA PRO A 26 -18.963 9.505 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.197 9.277 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.130 9.559 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.021 6.969 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.031 7.567 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.844 5.726 0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.250 6.905 2.138 1.00 0.00 H new ATOM 364 N MET A 27 -17.407 9.513 -2.526 1.00 0.00 N ATOM 365 CA MET A 27 -17.065 9.469 -3.943 1.00 0.00 C ATOM 366 C MET A 27 -15.592 9.119 -4.136 1.00 0.00 C ATOM 367 O MET A 27 -14.708 9.807 -3.623 1.00 0.00 O ATOM 368 CB MET A 27 -17.373 10.812 -4.606 1.00 0.00 C ATOM 369 CG MET A 27 -18.800 10.924 -5.118 1.00 0.00 C ATOM 370 SD MET A 27 -20.023 10.786 -3.800 1.00 0.00 S ATOM 371 CE MET A 27 -21.246 9.737 -4.583 1.00 0.00 C ATOM 0 H MET A 27 -17.173 10.391 -2.063 1.00 0.00 H new ATOM 0 HA MET A 27 -17.669 8.693 -4.413 1.00 0.00 H new ATOM 0 HB2 MET A 27 -17.189 11.612 -3.889 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.684 10.964 -5.437 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.926 11.880 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.979 10.144 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.637 9.028 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 27 -22.061 10.351 -4.965 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.785 9.193 -5.407 1.00 0.00 H new ATOM 381 N CYS A 28 -15.336 8.047 -4.877 1.00 0.00 N ATOM 382 CA CYS A 28 -13.971 7.605 -5.137 1.00 0.00 C ATOM 383 C CYS A 28 -13.106 8.766 -5.620 1.00 0.00 C ATOM 384 O CYS A 28 -13.608 9.856 -5.893 1.00 0.00 O ATOM 385 CB CYS A 28 -13.965 6.484 -6.178 1.00 0.00 C ATOM 386 SG CYS A 28 -12.494 5.412 -6.108 1.00 0.00 S ATOM 0 H CYS A 28 -16.056 7.468 -5.309 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.554 7.227 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.855 5.870 -6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.033 6.926 -7.172 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.853 4.172 -6.265 1.00 0.00 H new ATOM 391 N ALA A 29 -11.804 8.524 -5.723 1.00 0.00 N ATOM 392 CA ALA A 29 -10.869 9.548 -6.174 1.00 0.00 C ATOM 393 C ALA A 29 -10.405 9.276 -7.601 1.00 0.00 C ATOM 394 O ALA A 29 -10.355 10.183 -8.432 1.00 0.00 O ATOM 395 CB ALA A 29 -9.675 9.624 -5.234 1.00 0.00 C ATOM 0 H ALA A 29 -11.372 7.627 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.386 10.507 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.985 10.393 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.018 9.873 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.165 8.661 -5.215 1.00 0.00 H new ATOM 401 N HIS A 30 -10.064 8.021 -7.879 1.00 0.00 N ATOM 402 CA HIS A 30 -9.603 7.630 -9.206 1.00 0.00 C ATOM 403 C HIS A 30 -10.760 7.617 -10.201 1.00 0.00 C ATOM 404 O HIS A 30 -10.769 8.379 -11.169 1.00 0.00 O ATOM 405 CB HIS A 30 -8.944 6.252 -9.155 1.00 0.00 C ATOM 406 CG HIS A 30 -8.786 5.613 -10.500 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.798 5.974 -11.393 1.00 0.00 N ATOM 408 CD2 HIS A 30 -9.495 4.631 -11.103 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.909 5.241 -12.487 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.931 4.418 -12.336 1.00 0.00 N ATOM 0 H HIS A 30 -10.098 7.258 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.868 8.363 -9.539 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.963 6.345 -8.689 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.539 5.597 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.347 4.111 -10.690 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.272 5.304 -13.357 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.249 3.735 -13.024 1.00 0.00 H new ATOM 419 N CYS A 31 -11.734 6.747 -9.957 1.00 0.00 N ATOM 420 CA CYS A 31 -12.895 6.633 -10.831 1.00 0.00 C ATOM 421 C CYS A 31 -13.924 7.714 -10.512 1.00 0.00 C ATOM 422 O CYS A 31 -14.719 8.100 -11.368 1.00 0.00 O ATOM 423 CB CYS A 31 -13.532 5.249 -10.690 1.00 0.00 C ATOM 424 SG CYS A 31 -14.328 4.958 -9.077 1.00 0.00 S ATOM 0 H CYS A 31 -11.742 6.110 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.559 6.768 -11.859 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.274 5.120 -11.478 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.765 4.490 -10.847 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.446 5.079 -8.130 1.00 0.00 H new ATOM 429 N ASN A 32 -13.902 8.197 -9.274 1.00 0.00 N ATOM 430 CA ASN A 32 -14.833 9.233 -8.842 1.00 0.00 C ATOM 431 C ASN A 32 -16.275 8.745 -8.941 1.00 0.00 C ATOM 432 O ASN A 32 -17.147 9.452 -9.446 1.00 0.00 O ATOM 433 CB ASN A 32 -14.651 10.496 -9.686 1.00 0.00 C ATOM 434 CG ASN A 32 -15.501 11.650 -9.190 1.00 0.00 C ATOM 435 OD1 ASN A 32 -16.035 11.611 -8.081 1.00 0.00 O ATOM 436 ND2 ASN A 32 -15.630 12.685 -10.012 1.00 0.00 N ATOM 0 H ASN A 32 -13.250 7.888 -8.553 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.618 9.467 -7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.601 10.790 -9.674 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.909 10.278 -10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.190 13.491 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.169 12.674 -10.922 1.00 0.00 H new ATOM 443 N GLN A 33 -16.518 7.531 -8.456 1.00 0.00 N ATOM 444 CA GLN A 33 -17.854 6.949 -8.491 1.00 0.00 C ATOM 445 C GLN A 33 -18.302 6.531 -7.094 1.00 0.00 C ATOM 446 O GLN A 33 -17.507 6.027 -6.301 1.00 0.00 O ATOM 447 CB GLN A 33 -17.883 5.742 -9.431 1.00 0.00 C ATOM 448 CG GLN A 33 -17.288 6.024 -10.801 1.00 0.00 C ATOM 449 CD GLN A 33 -16.994 4.758 -11.581 1.00 0.00 C ATOM 450 OE1 GLN A 33 -17.078 3.652 -11.047 1.00 0.00 O ATOM 451 NE2 GLN A 33 -16.647 4.913 -12.854 1.00 0.00 N ATOM 0 H GLN A 33 -15.808 6.932 -8.035 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.544 7.707 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.337 4.919 -8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.915 5.412 -9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.978 6.646 -11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.367 6.595 -10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.590 5.848 -13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.438 4.097 -13.429 1.00 0.00 H new ATOM 460 N VAL A 34 -19.581 6.744 -6.800 1.00 0.00 N ATOM 461 CA VAL A 34 -20.135 6.389 -5.499 1.00 0.00 C ATOM 462 C VAL A 34 -19.732 4.975 -5.097 1.00 0.00 C ATOM 463 O VAL A 34 -19.922 4.025 -5.858 1.00 0.00 O ATOM 464 CB VAL A 34 -21.672 6.493 -5.496 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.271 5.581 -6.556 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.226 6.159 -4.119 1.00 0.00 C ATOM 0 H VAL A 34 -20.252 7.160 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.729 7.098 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.950 7.520 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.357 5.668 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.899 5.872 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.986 4.549 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.313 6.238 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.940 5.143 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.823 6.857 -3.385 1.00 0.00 H new ATOM 476 N ILE A 35 -19.176 4.842 -3.898 1.00 0.00 N ATOM 477 CA ILE A 35 -18.747 3.543 -3.395 1.00 0.00 C ATOM 478 C ILE A 35 -19.822 2.912 -2.516 1.00 0.00 C ATOM 479 O ILE A 35 -19.998 3.298 -1.360 1.00 0.00 O ATOM 480 CB ILE A 35 -17.440 3.655 -2.587 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.366 4.369 -3.411 1.00 0.00 C ATOM 482 CG2 ILE A 35 -16.960 2.276 -2.162 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.271 4.986 -2.570 1.00 0.00 C ATOM 0 H ILE A 35 -19.012 5.618 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.573 2.910 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.634 4.243 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.921 3.658 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.837 5.149 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.036 2.372 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.721 1.801 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.779 1.665 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.545 5.475 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.704 5.721 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.774 4.207 -1.992 1.00 0.00 H new ATOM 495 N ARG A 36 -20.536 1.939 -3.071 1.00 0.00 N ATOM 496 CA ARG A 36 -21.594 1.253 -2.338 1.00 0.00 C ATOM 497 C ARG A 36 -21.007 0.266 -1.333 1.00 0.00 C ATOM 498 O ARG A 36 -21.528 0.102 -0.231 1.00 0.00 O ATOM 499 CB ARG A 36 -22.523 0.520 -3.307 1.00 0.00 C ATOM 500 CG ARG A 36 -23.607 1.405 -3.899 1.00 0.00 C ATOM 501 CD ARG A 36 -24.595 0.598 -4.727 1.00 0.00 C ATOM 502 NE ARG A 36 -23.936 -0.132 -5.807 1.00 0.00 N ATOM 503 CZ ARG A 36 -23.460 -1.365 -5.677 1.00 0.00 C ATOM 504 NH1 ARG A 36 -23.570 -2.003 -4.520 1.00 0.00 N ATOM 505 NH2 ARG A 36 -22.874 -1.963 -6.707 1.00 0.00 N ATOM 0 H ARG A 36 -20.402 1.607 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.168 2.002 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.929 0.097 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -22.992 -0.315 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -24.137 1.919 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.150 2.174 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.119 -0.106 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.347 1.266 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.836 0.331 -6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.021 -1.547 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -23.204 -2.950 -4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.789 -1.476 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.509 -2.910 -6.607 1.00 0.00 H new ATOM 519 N GLY A 37 -19.918 -0.390 -1.723 1.00 0.00 N ATOM 520 CA GLY A 37 -19.278 -1.353 -0.846 1.00 0.00 C ATOM 521 C GLY A 37 -18.229 -0.719 0.046 1.00 0.00 C ATOM 522 O GLY A 37 -18.122 0.504 0.141 1.00 0.00 O ATOM 0 H GLY A 37 -19.468 -0.272 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.035 -1.834 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.814 -2.135 -1.447 1.00 0.00 H new ATOM 526 N PRO A 38 -17.432 -1.561 0.720 1.00 0.00 N ATOM 527 CA PRO A 38 -16.373 -1.097 1.621 1.00 0.00 C ATOM 528 C PRO A 38 -15.215 -0.448 0.870 1.00 0.00 C ATOM 529 O PRO A 38 -14.628 -1.053 -0.028 1.00 0.00 O ATOM 530 CB PRO A 38 -15.908 -2.382 2.313 1.00 0.00 C ATOM 531 CG PRO A 38 -16.249 -3.471 1.356 1.00 0.00 C ATOM 532 CD PRO A 38 -17.504 -3.030 0.654 1.00 0.00 C ATOM 0 HA PRO A 38 -16.730 -0.331 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.838 -2.356 2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.413 -2.522 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.440 -3.632 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.406 -4.415 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.534 -3.385 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.397 -3.411 1.149 1.00 0.00 H new ATOM 540 N PHE A 39 -14.891 0.785 1.243 1.00 0.00 N ATOM 541 CA PHE A 39 -13.804 1.517 0.603 1.00 0.00 C ATOM 542 C PHE A 39 -12.612 1.653 1.546 1.00 0.00 C ATOM 543 O PHE A 39 -12.655 1.199 2.690 1.00 0.00 O ATOM 544 CB PHE A 39 -14.282 2.902 0.163 1.00 0.00 C ATOM 545 CG PHE A 39 -14.747 3.765 1.300 1.00 0.00 C ATOM 546 CD1 PHE A 39 -16.056 3.697 1.749 1.00 0.00 C ATOM 547 CD2 PHE A 39 -13.875 4.644 1.922 1.00 0.00 C ATOM 548 CE1 PHE A 39 -16.487 4.491 2.795 1.00 0.00 C ATOM 549 CE2 PHE A 39 -14.299 5.440 2.969 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.607 5.363 3.407 1.00 0.00 C ATOM 0 H PHE A 39 -15.366 1.299 1.985 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.488 0.954 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.470 3.409 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.097 2.786 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.748 3.016 1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.851 4.708 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.511 4.430 3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.609 6.121 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.941 5.983 4.226 1.00 0.00 H new ATOM 560 N LEU A 40 -11.549 2.282 1.058 1.00 0.00 N ATOM 561 CA LEU A 40 -10.343 2.480 1.856 1.00 0.00 C ATOM 562 C LEU A 40 -10.024 3.964 2.002 1.00 0.00 C ATOM 563 O LEU A 40 -9.833 4.669 1.011 1.00 0.00 O ATOM 564 CB LEU A 40 -9.160 1.752 1.217 1.00 0.00 C ATOM 565 CG LEU A 40 -9.467 0.390 0.594 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.350 -0.030 -0.350 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.673 -0.658 1.677 1.00 0.00 C ATOM 0 H LEU A 40 -11.497 2.664 0.114 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.522 2.067 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.737 2.395 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.390 1.617 1.976 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.389 0.476 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.586 -1.002 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.250 0.708 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.413 -0.098 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.890 -1.621 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.769 -0.741 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.508 -0.364 2.313 1.00 0.00 H new ATOM 579 N VAL A 41 -9.965 4.432 3.245 1.00 0.00 N ATOM 580 CA VAL A 41 -9.665 5.832 3.521 1.00 0.00 C ATOM 581 C VAL A 41 -8.244 5.996 4.049 1.00 0.00 C ATOM 582 O VAL A 41 -7.923 5.542 5.147 1.00 0.00 O ATOM 583 CB VAL A 41 -10.652 6.427 4.543 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.921 5.436 5.665 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.119 7.740 5.096 1.00 0.00 C ATOM 0 H VAL A 41 -10.121 3.862 4.076 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.763 6.368 2.577 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.595 6.629 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.620 5.874 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.349 4.524 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.986 5.199 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.829 8.146 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.162 7.566 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.983 8.450 4.280 1.00 0.00 H new ATOM 595 N ALA A 42 -7.397 6.647 3.259 1.00 0.00 N ATOM 596 CA ALA A 42 -6.010 6.874 3.648 1.00 0.00 C ATOM 597 C ALA A 42 -5.625 8.340 3.481 1.00 0.00 C ATOM 598 O ALA A 42 -5.412 9.052 4.463 1.00 0.00 O ATOM 599 CB ALA A 42 -5.082 5.986 2.832 1.00 0.00 C ATOM 0 H ALA A 42 -7.647 7.027 2.346 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.907 6.617 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.050 6.165 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.334 4.940 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.197 6.216 1.773 1.00 0.00 H new ATOM 605 N LEU A 43 -5.537 8.785 2.232 1.00 0.00 N ATOM 606 CA LEU A 43 -5.177 10.167 1.937 1.00 0.00 C ATOM 607 C LEU A 43 -6.413 11.061 1.922 1.00 0.00 C ATOM 608 O LEU A 43 -6.881 11.474 0.862 1.00 0.00 O ATOM 609 CB LEU A 43 -4.458 10.250 0.589 1.00 0.00 C ATOM 610 CG LEU A 43 -3.022 9.725 0.561 1.00 0.00 C ATOM 611 CD1 LEU A 43 -2.165 10.459 1.581 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.998 8.226 0.822 1.00 0.00 C ATOM 0 H LEU A 43 -5.710 8.209 1.408 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.507 10.518 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.041 9.695 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.449 11.292 0.268 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.607 9.908 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.147 10.072 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.156 11.524 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.577 10.308 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.968 7.869 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.431 8.020 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.577 7.714 0.054 1.00 0.00 H new ATOM 624 N GLY A 44 -6.937 11.357 3.108 1.00 0.00 N ATOM 625 CA GLY A 44 -8.113 12.202 3.209 1.00 0.00 C ATOM 626 C GLY A 44 -9.099 11.961 2.082 1.00 0.00 C ATOM 627 O GLY A 44 -9.840 12.863 1.692 1.00 0.00 O ATOM 0 H GLY A 44 -6.568 11.027 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.606 12.020 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.807 13.248 3.202 1.00 0.00 H new ATOM 631 N LYS A 45 -9.107 10.741 1.557 1.00 0.00 N ATOM 632 CA LYS A 45 -10.008 10.383 0.468 1.00 0.00 C ATOM 633 C LYS A 45 -10.367 8.901 0.523 1.00 0.00 C ATOM 634 O LYS A 45 -9.762 8.134 1.272 1.00 0.00 O ATOM 635 CB LYS A 45 -9.367 10.713 -0.882 1.00 0.00 C ATOM 636 CG LYS A 45 -9.506 12.171 -1.281 1.00 0.00 C ATOM 637 CD LYS A 45 -9.009 12.412 -2.697 1.00 0.00 C ATOM 638 CE LYS A 45 -7.497 12.279 -2.787 1.00 0.00 C ATOM 639 NZ LYS A 45 -6.969 12.806 -4.076 1.00 0.00 N ATOM 0 H LYS A 45 -8.499 9.983 1.868 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.923 10.965 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.309 10.454 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.821 10.089 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.551 12.472 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.944 12.794 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.479 11.699 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.308 13.408 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.035 12.816 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.218 11.231 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.935 12.697 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.390 12.277 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.213 13.813 -4.165 1.00 0.00 H new ATOM 653 N SER A 46 -11.353 8.505 -0.275 1.00 0.00 N ATOM 654 CA SER A 46 -11.794 7.116 -0.315 1.00 0.00 C ATOM 655 C SER A 46 -11.422 6.466 -1.644 1.00 0.00 C ATOM 656 O SER A 46 -11.712 7.003 -2.713 1.00 0.00 O ATOM 657 CB SER A 46 -13.306 7.032 -0.098 1.00 0.00 C ATOM 658 OG SER A 46 -14.009 7.616 -1.181 1.00 0.00 O ATOM 0 H SER A 46 -11.862 9.127 -0.903 1.00 0.00 H new ATOM 0 HA SER A 46 -11.289 6.577 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.603 5.989 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.572 7.540 0.829 1.00 0.00 H new ATOM 0 HG SER A 46 -13.411 7.698 -1.953 1.00 0.00 H new ATOM 664 N TRP A 47 -10.778 5.307 -1.569 1.00 0.00 N ATOM 665 CA TRP A 47 -10.366 4.582 -2.766 1.00 0.00 C ATOM 666 C TRP A 47 -10.916 3.160 -2.758 1.00 0.00 C ATOM 667 O TRP A 47 -10.967 2.510 -1.713 1.00 0.00 O ATOM 668 CB TRP A 47 -8.840 4.552 -2.868 1.00 0.00 C ATOM 669 CG TRP A 47 -8.195 5.859 -2.520 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.216 6.486 -1.307 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.437 6.700 -3.396 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.516 7.666 -1.376 1.00 0.00 N ATOM 673 CE2 TRP A 47 -7.027 7.820 -2.646 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.061 6.616 -4.740 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.263 8.846 -3.197 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.303 7.634 -5.285 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.910 8.737 -4.515 1.00 0.00 C ATOM 0 H TRP A 47 -10.530 4.849 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.771 5.102 -3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.454 3.777 -2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.556 4.274 -3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.710 6.110 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.382 8.321 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.358 5.770 -5.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.960 9.697 -2.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.008 7.579 -6.322 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.317 9.516 -4.970 1.00 0.00 H new ATOM 688 N HIS A 48 -11.326 2.682 -3.928 1.00 0.00 N ATOM 689 CA HIS A 48 -11.871 1.335 -4.055 1.00 0.00 C ATOM 690 C HIS A 48 -10.818 0.288 -3.707 1.00 0.00 C ATOM 691 O HIS A 48 -9.649 0.401 -4.077 1.00 0.00 O ATOM 692 CB HIS A 48 -12.388 1.103 -5.475 1.00 0.00 C ATOM 693 CG HIS A 48 -13.780 1.610 -5.696 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.076 2.648 -6.555 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.961 1.215 -5.165 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.378 2.870 -6.541 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.938 2.014 -5.706 1.00 0.00 N ATOM 0 H HIS A 48 -11.291 3.207 -4.802 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.700 1.238 -3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.716 1.590 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.360 0.035 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.107 0.420 -4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.897 3.624 -7.115 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.935 1.956 -5.497 1.00 0.00 H new ATOM 705 N PRO A 49 -11.239 -0.757 -2.979 1.00 0.00 N ATOM 706 CA PRO A 49 -10.348 -1.845 -2.566 1.00 0.00 C ATOM 707 C PRO A 49 -9.911 -2.714 -3.740 1.00 0.00 C ATOM 708 O PRO A 49 -9.102 -3.628 -3.579 1.00 0.00 O ATOM 709 CB PRO A 49 -11.206 -2.655 -1.591 1.00 0.00 C ATOM 710 CG PRO A 49 -12.611 -2.373 -1.998 1.00 0.00 C ATOM 711 CD PRO A 49 -12.619 -0.957 -2.505 1.00 0.00 C ATOM 0 HA PRO A 49 -9.422 -1.470 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.981 -3.720 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.025 -2.353 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.940 -3.066 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.292 -2.490 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.343 -0.822 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.880 -0.250 -1.718 1.00 0.00 H new ATOM 719 N GLU A 50 -10.450 -2.423 -4.919 1.00 0.00 N ATOM 720 CA GLU A 50 -10.115 -3.180 -6.120 1.00 0.00 C ATOM 721 C GLU A 50 -9.126 -2.409 -6.990 1.00 0.00 C ATOM 722 O GLU A 50 -8.208 -2.990 -7.568 1.00 0.00 O ATOM 723 CB GLU A 50 -11.379 -3.495 -6.921 1.00 0.00 C ATOM 724 CG GLU A 50 -12.426 -4.261 -6.130 1.00 0.00 C ATOM 725 CD GLU A 50 -13.816 -4.128 -6.720 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.116 -4.845 -7.698 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.604 -3.308 -6.206 1.00 0.00 O ATOM 0 H GLU A 50 -11.120 -1.669 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.648 -4.115 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.816 -2.562 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.105 -4.075 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.150 -5.315 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.436 -3.899 -5.102 1.00 0.00 H new ATOM 734 N GLU A 51 -9.323 -1.097 -7.079 1.00 0.00 N ATOM 735 CA GLU A 51 -8.450 -0.247 -7.880 1.00 0.00 C ATOM 736 C GLU A 51 -7.200 0.142 -7.096 1.00 0.00 C ATOM 737 O GLU A 51 -6.087 0.104 -7.621 1.00 0.00 O ATOM 738 CB GLU A 51 -9.197 1.011 -8.327 1.00 0.00 C ATOM 739 CG GLU A 51 -10.354 0.729 -9.271 1.00 0.00 C ATOM 740 CD GLU A 51 -11.329 1.887 -9.361 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.312 2.747 -8.456 1.00 0.00 O ATOM 742 OE2 GLU A 51 -12.109 1.932 -10.335 1.00 0.00 O ATOM 0 H GLU A 51 -10.079 -0.600 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.144 -0.812 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.576 1.530 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.495 1.685 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.962 0.511 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.884 -0.162 -8.934 1.00 0.00 H new ATOM 749 N PHE A 52 -7.392 0.517 -5.835 1.00 0.00 N ATOM 750 CA PHE A 52 -6.282 0.914 -4.978 1.00 0.00 C ATOM 751 C PHE A 52 -5.106 -0.047 -5.130 1.00 0.00 C ATOM 752 O PHE A 52 -5.053 -1.087 -4.476 1.00 0.00 O ATOM 753 CB PHE A 52 -6.730 0.962 -3.516 1.00 0.00 C ATOM 754 CG PHE A 52 -5.814 1.762 -2.634 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.511 3.078 -2.940 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.257 1.197 -1.498 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.668 3.816 -2.131 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.414 1.930 -0.684 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.120 3.241 -1.001 1.00 0.00 C ATOM 0 H PHE A 52 -8.306 0.554 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.958 1.909 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.733 1.387 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.795 -0.056 -3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.938 3.533 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.484 0.172 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.438 4.841 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.986 1.478 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.462 3.816 -0.366 1.00 0.00 H new ATOM 769 N ASN A 53 -4.166 0.311 -5.999 1.00 0.00 N ATOM 770 CA ASN A 53 -2.991 -0.520 -6.238 1.00 0.00 C ATOM 771 C ASN A 53 -1.724 0.329 -6.273 1.00 0.00 C ATOM 772 O ASN A 53 -1.785 1.551 -6.408 1.00 0.00 O ATOM 773 CB ASN A 53 -3.142 -1.285 -7.554 1.00 0.00 C ATOM 774 CG ASN A 53 -4.108 -2.449 -7.439 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.989 -3.282 -6.540 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.072 -2.510 -8.351 1.00 0.00 N ATOM 0 H ASN A 53 -4.195 1.170 -6.549 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.907 -1.233 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.490 -0.603 -8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.167 -1.656 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.752 -3.270 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.132 -1.797 -9.078 1.00 0.00 H new ATOM 783 N CYS A 54 -0.575 -0.329 -6.151 1.00 0.00 N ATOM 784 CA CYS A 54 0.708 0.363 -6.168 1.00 0.00 C ATOM 785 C CYS A 54 0.919 1.085 -7.496 1.00 0.00 C ATOM 786 O CYS A 54 0.094 0.988 -8.405 1.00 0.00 O ATOM 787 CB CYS A 54 1.848 -0.628 -5.927 1.00 0.00 C ATOM 788 SG CYS A 54 3.314 0.105 -5.131 1.00 0.00 S ATOM 0 H CYS A 54 -0.507 -1.341 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 54 0.704 1.104 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.480 -1.444 -5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.145 -1.063 -6.881 1.00 0.00 H new ATOM 0 HG CYS A 54 3.148 1.389 -5.014 1.00 0.00 H new ATOM 793 N ALA A 55 2.029 1.807 -7.601 1.00 0.00 N ATOM 794 CA ALA A 55 2.350 2.543 -8.817 1.00 0.00 C ATOM 795 C ALA A 55 3.381 1.794 -9.656 1.00 0.00 C ATOM 796 O ALA A 55 3.424 1.938 -10.878 1.00 0.00 O ATOM 797 CB ALA A 55 2.858 3.935 -8.474 1.00 0.00 C ATOM 0 H ALA A 55 2.722 1.898 -6.858 1.00 0.00 H new ATOM 0 HA ALA A 55 1.438 2.636 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.094 4.473 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.090 4.477 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.755 3.854 -7.861 1.00 0.00 H new ATOM 803 N HIS A 56 4.209 0.995 -8.992 1.00 0.00 N ATOM 804 CA HIS A 56 5.240 0.223 -9.677 1.00 0.00 C ATOM 805 C HIS A 56 4.815 -1.234 -9.832 1.00 0.00 C ATOM 806 O HIS A 56 4.703 -1.744 -10.948 1.00 0.00 O ATOM 807 CB HIS A 56 6.561 0.302 -8.910 1.00 0.00 C ATOM 808 CG HIS A 56 7.587 -0.682 -9.382 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.160 -0.630 -10.635 1.00 0.00 N ATOM 810 CD2 HIS A 56 8.144 -1.747 -8.759 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.024 -1.621 -10.763 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.033 -2.314 -9.638 1.00 0.00 N ATOM 0 H HIS A 56 4.187 0.865 -7.981 1.00 0.00 H new ATOM 0 HA HIS A 56 5.379 0.650 -10.670 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.966 1.310 -9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.367 0.133 -7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.929 -2.087 -7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.621 -1.829 -11.638 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.607 -3.136 -9.453 1.00 0.00 H new ATOM 821 N CYS A 57 4.580 -1.900 -8.706 1.00 0.00 N ATOM 822 CA CYS A 57 4.169 -3.298 -8.716 1.00 0.00 C ATOM 823 C CYS A 57 2.673 -3.423 -8.990 1.00 0.00 C ATOM 824 O CYS A 57 2.152 -4.525 -9.163 1.00 0.00 O ATOM 825 CB CYS A 57 4.512 -3.962 -7.381 1.00 0.00 C ATOM 826 SG CYS A 57 3.512 -3.370 -5.978 1.00 0.00 S ATOM 0 H CYS A 57 4.667 -1.493 -7.775 1.00 0.00 H new ATOM 0 HA CYS A 57 4.710 -3.804 -9.515 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.380 -5.040 -7.479 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.565 -3.789 -7.161 1.00 0.00 H new ATOM 0 HG CYS A 57 3.744 -2.106 -5.782 1.00 0.00 H new ATOM 831 N LYS A 58 1.987 -2.286 -9.027 1.00 0.00 N ATOM 832 CA LYS A 58 0.551 -2.266 -9.281 1.00 0.00 C ATOM 833 C LYS A 58 -0.140 -3.436 -8.588 1.00 0.00 C ATOM 834 O LYS A 58 -0.933 -4.150 -9.200 1.00 0.00 O ATOM 835 CB LYS A 58 0.278 -2.316 -10.786 1.00 0.00 C ATOM 836 CG LYS A 58 1.047 -1.274 -11.579 1.00 0.00 C ATOM 837 CD LYS A 58 0.290 0.041 -11.655 1.00 0.00 C ATOM 838 CE LYS A 58 0.623 0.803 -12.928 1.00 0.00 C ATOM 839 NZ LYS A 58 0.019 0.165 -14.131 1.00 0.00 N ATOM 0 H LYS A 58 2.402 -1.365 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 58 0.148 -1.338 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.534 -3.307 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.789 -2.176 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.020 -1.108 -11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.233 -1.646 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.782 -0.152 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.536 0.654 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.264 1.828 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.705 0.853 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.015 0.854 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.595 -0.652 -14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.946 -0.153 -13.908 1.00 0.00 H new ATOM 853 N ASN A 59 0.165 -3.625 -7.309 1.00 0.00 N ATOM 854 CA ASN A 59 -0.428 -4.709 -6.533 1.00 0.00 C ATOM 855 C ASN A 59 -1.371 -4.161 -5.467 1.00 0.00 C ATOM 856 O ASN A 59 -1.267 -3.001 -5.066 1.00 0.00 O ATOM 857 CB ASN A 59 0.667 -5.553 -5.878 1.00 0.00 C ATOM 858 CG ASN A 59 1.334 -6.497 -6.859 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.704 -6.980 -7.799 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.617 -6.764 -6.643 1.00 0.00 N ATOM 0 H ASN A 59 0.819 -3.042 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.003 -5.338 -7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.419 -4.894 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.237 -6.129 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.120 -7.392 -7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.100 -6.341 -5.850 1.00 0.00 H new ATOM 867 N THR A 60 -2.292 -5.004 -5.009 1.00 0.00 N ATOM 868 CA THR A 60 -3.254 -4.605 -3.990 1.00 0.00 C ATOM 869 C THR A 60 -2.551 -4.037 -2.762 1.00 0.00 C ATOM 870 O THR A 60 -1.700 -4.694 -2.163 1.00 0.00 O ATOM 871 CB THR A 60 -4.138 -5.790 -3.558 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.973 -5.404 -2.460 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.285 -6.984 -3.158 1.00 0.00 C ATOM 0 H THR A 60 -2.391 -5.968 -5.328 1.00 0.00 H new ATOM 0 HA THR A 60 -3.883 -3.834 -4.434 1.00 0.00 H new ATOM 0 HB THR A 60 -4.762 -6.077 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.533 -6.162 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.931 -7.808 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.673 -7.294 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.639 -6.707 -2.325 1.00 0.00 H new ATOM 881 N MET A 61 -2.912 -2.812 -2.393 1.00 0.00 N ATOM 882 CA MET A 61 -2.315 -2.157 -1.235 1.00 0.00 C ATOM 883 C MET A 61 -3.343 -1.980 -0.121 1.00 0.00 C ATOM 884 O MET A 61 -3.410 -0.928 0.513 1.00 0.00 O ATOM 885 CB MET A 61 -1.738 -0.797 -1.632 1.00 0.00 C ATOM 886 CG MET A 61 -0.668 -0.882 -2.708 1.00 0.00 C ATOM 887 SD MET A 61 0.444 0.537 -2.696 1.00 0.00 S ATOM 888 CE MET A 61 -0.663 1.839 -3.230 1.00 0.00 C ATOM 0 H MET A 61 -3.614 -2.254 -2.879 1.00 0.00 H new ATOM 0 HA MET A 61 -1.509 -2.791 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.547 -0.157 -1.985 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.316 -0.319 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.088 -1.794 -2.567 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.146 -0.956 -3.685 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.181 2.429 -4.009 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.580 1.399 -3.623 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.903 2.482 -2.384 1.00 0.00 H new ATOM 898 N ALA A 62 -4.142 -3.017 0.110 1.00 0.00 N ATOM 899 CA ALA A 62 -5.165 -2.976 1.148 1.00 0.00 C ATOM 900 C ALA A 62 -4.589 -3.373 2.503 1.00 0.00 C ATOM 901 O ALA A 62 -4.563 -2.571 3.437 1.00 0.00 O ATOM 902 CB ALA A 62 -6.327 -3.886 0.780 1.00 0.00 C ATOM 0 H ALA A 62 -4.101 -3.895 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.529 -1.952 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.083 -3.845 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.763 -3.556 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.968 -4.910 0.675 1.00 0.00 H new ATOM 908 N TYR A 63 -4.127 -4.614 2.603 1.00 0.00 N ATOM 909 CA TYR A 63 -3.554 -5.118 3.845 1.00 0.00 C ATOM 910 C TYR A 63 -2.227 -4.431 4.151 1.00 0.00 C ATOM 911 O TYR A 63 -2.088 -3.748 5.166 1.00 0.00 O ATOM 912 CB TYR A 63 -3.350 -6.632 3.760 1.00 0.00 C ATOM 913 CG TYR A 63 -4.568 -7.381 3.269 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.580 -7.750 4.147 1.00 0.00 C ATOM 915 CD2 TYR A 63 -4.707 -7.720 1.929 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.695 -8.435 3.704 1.00 0.00 C ATOM 917 CE2 TYR A 63 -5.819 -8.403 1.477 1.00 0.00 C ATOM 918 CZ TYR A 63 -6.810 -8.759 2.368 1.00 0.00 C ATOM 919 OH TYR A 63 -7.919 -9.441 1.921 1.00 0.00 O ATOM 0 H TYR A 63 -4.138 -5.290 1.839 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.251 -4.897 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.513 -6.840 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.075 -7.009 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.493 -7.497 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.932 -7.445 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.472 -8.715 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.912 -8.657 0.431 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.844 -9.589 0.955 1.00 0.00 H new ATOM 929 N ILE A 64 -1.254 -4.617 3.265 1.00 0.00 N ATOM 930 CA ILE A 64 0.062 -4.014 3.438 1.00 0.00 C ATOM 931 C ILE A 64 -0.028 -2.492 3.452 1.00 0.00 C ATOM 932 O ILE A 64 -1.066 -1.918 3.126 1.00 0.00 O ATOM 933 CB ILE A 64 1.032 -4.449 2.324 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.600 -3.855 0.981 1.00 0.00 C ATOM 935 CG2 ILE A 64 1.097 -5.967 2.241 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.284 -2.547 0.652 1.00 0.00 C ATOM 0 H ILE A 64 -1.352 -5.180 2.420 1.00 0.00 H new ATOM 0 HA ILE A 64 0.444 -4.362 4.398 1.00 0.00 H new ATOM 0 HB ILE A 64 2.027 -4.075 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.810 -4.575 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.479 -3.699 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.787 -6.259 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.446 -6.369 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.105 -6.362 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.930 -2.184 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.053 -1.812 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.362 -2.701 0.609 1.00 0.00 H new ATOM 948 N GLY A 65 1.068 -1.843 3.832 1.00 0.00 N ATOM 949 CA GLY A 65 1.093 -0.393 3.879 1.00 0.00 C ATOM 950 C GLY A 65 1.774 0.216 2.669 1.00 0.00 C ATOM 951 O GLY A 65 2.348 -0.498 1.847 1.00 0.00 O ATOM 0 H GLY A 65 1.939 -2.296 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.072 -0.017 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.610 -0.071 4.783 1.00 0.00 H new ATOM 955 N PHE A 66 1.709 1.539 2.559 1.00 0.00 N ATOM 956 CA PHE A 66 2.321 2.243 1.439 1.00 0.00 C ATOM 957 C PHE A 66 2.952 3.554 1.900 1.00 0.00 C ATOM 958 O PHE A 66 2.871 3.916 3.074 1.00 0.00 O ATOM 959 CB PHE A 66 1.281 2.520 0.352 1.00 0.00 C ATOM 960 CG PHE A 66 0.122 3.349 0.828 1.00 0.00 C ATOM 961 CD1 PHE A 66 0.235 4.726 0.931 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.079 2.751 1.173 1.00 0.00 C ATOM 963 CE1 PHE A 66 -0.830 5.491 1.370 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.147 3.511 1.612 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.022 4.883 1.709 1.00 0.00 C ATOM 0 H PHE A 66 1.239 2.145 3.232 1.00 0.00 H new ATOM 0 HA PHE A 66 3.105 1.607 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.765 3.031 -0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.906 1.571 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.165 5.207 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.182 1.679 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.729 6.563 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.078 3.033 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.856 5.479 2.050 1.00 0.00 H new ATOM 975 N VAL A 67 3.582 4.261 0.967 1.00 0.00 N ATOM 976 CA VAL A 67 4.226 5.532 1.276 1.00 0.00 C ATOM 977 C VAL A 67 3.961 6.563 0.185 1.00 0.00 C ATOM 978 O VAL A 67 4.185 6.301 -0.996 1.00 0.00 O ATOM 979 CB VAL A 67 5.747 5.362 1.448 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.389 6.681 1.853 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.050 4.277 2.470 1.00 0.00 C ATOM 0 H VAL A 67 3.660 3.975 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 67 3.798 5.884 2.215 1.00 0.00 H new ATOM 0 HB VAL A 67 6.171 5.057 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.464 6.542 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.202 7.429 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.962 7.019 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.129 4.171 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.614 4.550 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.624 3.332 2.134 1.00 0.00 H new ATOM 991 N GLU A 68 3.483 7.735 0.590 1.00 0.00 N ATOM 992 CA GLU A 68 3.187 8.806 -0.355 1.00 0.00 C ATOM 993 C GLU A 68 4.428 9.650 -0.627 1.00 0.00 C ATOM 994 O GLU A 68 5.019 10.217 0.292 1.00 0.00 O ATOM 995 CB GLU A 68 2.061 9.693 0.181 1.00 0.00 C ATOM 996 CG GLU A 68 1.962 11.039 -0.516 1.00 0.00 C ATOM 997 CD GLU A 68 0.887 11.927 0.080 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.105 12.458 1.189 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.172 12.090 -0.562 1.00 0.00 O ATOM 0 H GLU A 68 3.293 7.967 1.565 1.00 0.00 H new ATOM 0 HA GLU A 68 2.866 8.350 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.113 9.167 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.215 9.856 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.924 11.548 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.753 10.882 -1.574 1.00 0.00 H new ATOM 1006 N GLU A 69 4.818 9.728 -1.896 1.00 0.00 N ATOM 1007 CA GLU A 69 5.990 10.502 -2.288 1.00 0.00 C ATOM 1008 C GLU A 69 5.679 11.386 -3.493 1.00 0.00 C ATOM 1009 O GLU A 69 5.442 10.893 -4.595 1.00 0.00 O ATOM 1010 CB GLU A 69 7.158 9.570 -2.614 1.00 0.00 C ATOM 1011 CG GLU A 69 8.349 10.281 -3.234 1.00 0.00 C ATOM 1012 CD GLU A 69 9.176 9.369 -4.120 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.236 8.155 -3.832 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.764 9.870 -5.101 1.00 0.00 O ATOM 0 H GLU A 69 4.340 9.265 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 69 6.268 11.142 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.479 9.070 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.813 8.794 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.996 11.129 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.981 10.682 -2.442 1.00 0.00 H new ATOM 1021 N LYS A 70 5.683 12.697 -3.273 1.00 0.00 N ATOM 1022 CA LYS A 70 5.403 13.652 -4.339 1.00 0.00 C ATOM 1023 C LYS A 70 4.255 13.165 -5.218 1.00 0.00 C ATOM 1024 O LYS A 70 4.289 13.315 -6.439 1.00 0.00 O ATOM 1025 CB LYS A 70 6.653 13.877 -5.192 1.00 0.00 C ATOM 1026 CG LYS A 70 7.678 14.788 -4.539 1.00 0.00 C ATOM 1027 CD LYS A 70 7.219 16.237 -4.543 1.00 0.00 C ATOM 1028 CE LYS A 70 8.119 17.109 -3.680 1.00 0.00 C ATOM 1029 NZ LYS A 70 8.112 18.528 -4.130 1.00 0.00 N ATOM 0 H LYS A 70 5.877 13.122 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 70 5.110 14.596 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.117 12.914 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.357 14.305 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.853 14.464 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.628 14.705 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.215 16.616 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.194 16.296 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.790 17.055 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.138 16.723 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.737 19.090 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.450 18.582 -5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.144 18.905 -4.076 1.00 0.00 H new ATOM 1043 N GLY A 71 3.239 12.583 -4.589 1.00 0.00 N ATOM 1044 CA GLY A 71 2.095 12.084 -5.331 1.00 0.00 C ATOM 1045 C GLY A 71 2.323 10.690 -5.880 1.00 0.00 C ATOM 1046 O GLY A 71 2.035 10.420 -7.046 1.00 0.00 O ATOM 0 H GLY A 71 3.187 12.448 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.220 12.077 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.875 12.764 -6.154 1.00 0.00 H new ATOM 1050 N ALA A 72 2.844 9.802 -5.039 1.00 0.00 N ATOM 1051 CA ALA A 72 3.110 8.428 -5.447 1.00 0.00 C ATOM 1052 C ALA A 72 3.065 7.482 -4.252 1.00 0.00 C ATOM 1053 O ALA A 72 3.798 7.659 -3.279 1.00 0.00 O ATOM 1054 CB ALA A 72 4.459 8.337 -6.144 1.00 0.00 C ATOM 0 H ALA A 72 3.090 10.010 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 72 2.331 8.125 -6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.645 7.306 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.456 8.976 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.244 8.664 -5.462 1.00 0.00 H new ATOM 1060 N LEU A 73 2.199 6.478 -4.332 1.00 0.00 N ATOM 1061 CA LEU A 73 2.057 5.503 -3.256 1.00 0.00 C ATOM 1062 C LEU A 73 2.854 4.238 -3.559 1.00 0.00 C ATOM 1063 O LEU A 73 2.638 3.586 -4.580 1.00 0.00 O ATOM 1064 CB LEU A 73 0.583 5.153 -3.049 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.361 6.334 -2.818 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.806 5.861 -2.773 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.003 7.064 -1.534 1.00 0.00 C ATOM 0 H LEU A 73 1.585 6.318 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 73 2.450 5.948 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.235 4.601 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.506 4.480 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.253 7.029 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.463 6.715 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.062 5.383 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.929 5.145 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.679 7.901 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.076 6.378 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.025 7.437 -1.604 1.00 0.00 H new ATOM 1079 N TYR A 74 3.774 3.896 -2.663 1.00 0.00 N ATOM 1080 CA TYR A 74 4.603 2.709 -2.835 1.00 0.00 C ATOM 1081 C TYR A 74 4.523 1.806 -1.608 1.00 0.00 C ATOM 1082 O TYR A 74 4.736 2.251 -0.480 1.00 0.00 O ATOM 1083 CB TYR A 74 6.057 3.110 -3.092 1.00 0.00 C ATOM 1084 CG TYR A 74 6.231 4.026 -4.282 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.163 3.533 -5.579 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.465 5.385 -4.109 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.322 4.366 -6.670 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.624 6.226 -5.194 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.552 5.712 -6.472 1.00 0.00 C ATOM 1090 OH TYR A 74 6.711 6.546 -7.555 1.00 0.00 O ATOM 0 H TYR A 74 3.964 4.424 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 74 4.227 2.156 -3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.452 3.603 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.651 2.210 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.983 2.480 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.524 5.791 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.267 3.966 -7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.804 7.280 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 74 6.864 7.462 -7.243 1.00 0.00 H new ATOM 1100 N CYS A 75 4.213 0.535 -1.837 1.00 0.00 N ATOM 1101 CA CYS A 75 4.103 -0.433 -0.752 1.00 0.00 C ATOM 1102 C CYS A 75 5.431 -0.577 -0.015 1.00 0.00 C ATOM 1103 O CYS A 75 6.500 -0.451 -0.611 1.00 0.00 O ATOM 1104 CB CYS A 75 3.660 -1.793 -1.297 1.00 0.00 C ATOM 1105 SG CYS A 75 4.813 -2.522 -2.504 1.00 0.00 S ATOM 0 H CYS A 75 4.033 0.151 -2.765 1.00 0.00 H new ATOM 0 HA CYS A 75 3.354 -0.069 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.539 -2.484 -0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.682 -1.684 -1.765 1.00 0.00 H new ATOM 0 HG CYS A 75 4.183 -2.761 -3.616 1.00 0.00 H new ATOM 1110 N GLU A 76 5.354 -0.841 1.286 1.00 0.00 N ATOM 1111 CA GLU A 76 6.551 -1.001 2.104 1.00 0.00 C ATOM 1112 C GLU A 76 7.579 -1.880 1.399 1.00 0.00 C ATOM 1113 O GLU A 76 8.780 -1.774 1.650 1.00 0.00 O ATOM 1114 CB GLU A 76 6.189 -1.608 3.462 1.00 0.00 C ATOM 1115 CG GLU A 76 5.970 -3.111 3.417 1.00 0.00 C ATOM 1116 CD GLU A 76 4.564 -3.483 2.987 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.216 -3.236 1.814 1.00 0.00 O ATOM 1118 OE2 GLU A 76 3.811 -4.021 3.826 1.00 0.00 O ATOM 0 H GLU A 76 4.477 -0.948 1.795 1.00 0.00 H new ATOM 0 HA GLU A 76 6.989 -0.015 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.984 -1.386 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.284 -1.128 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.687 -3.558 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.168 -3.533 4.402 1.00 0.00 H new ATOM 1125 N LEU A 77 7.099 -2.748 0.515 1.00 0.00 N ATOM 1126 CA LEU A 77 7.976 -3.647 -0.228 1.00 0.00 C ATOM 1127 C LEU A 77 8.820 -2.875 -1.236 1.00 0.00 C ATOM 1128 O LEU A 77 10.043 -3.010 -1.271 1.00 0.00 O ATOM 1129 CB LEU A 77 7.151 -4.716 -0.948 1.00 0.00 C ATOM 1130 CG LEU A 77 6.896 -6.006 -0.167 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.730 -6.773 -0.771 1.00 0.00 C ATOM 1132 CD2 LEU A 77 8.149 -6.870 -0.141 1.00 0.00 C ATOM 0 H LEU A 77 6.108 -2.848 0.295 1.00 0.00 H new ATOM 0 HA LEU A 77 8.646 -4.131 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.188 -4.282 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.658 -4.972 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 77 6.639 -5.743 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.563 -7.688 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.832 -6.156 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.958 -7.026 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.949 -7.784 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.436 -7.125 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.960 -6.321 0.338 1.00 0.00 H new ATOM 1144 N CYS A 78 8.159 -2.063 -2.054 1.00 0.00 N ATOM 1145 CA CYS A 78 8.847 -1.266 -3.063 1.00 0.00 C ATOM 1146 C CYS A 78 9.810 -0.278 -2.411 1.00 0.00 C ATOM 1147 O CYS A 78 10.985 -0.208 -2.773 1.00 0.00 O ATOM 1148 CB CYS A 78 7.834 -0.514 -3.928 1.00 0.00 C ATOM 1149 SG CYS A 78 6.948 -1.567 -5.122 1.00 0.00 S ATOM 0 H CYS A 78 7.147 -1.939 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 78 9.421 -1.943 -3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.106 -0.029 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.352 0.276 -4.471 1.00 0.00 H new ATOM 0 HG CYS A 78 5.958 -2.162 -4.525 1.00 0.00 H new ATOM 1154 N TYR A 79 9.304 0.485 -1.449 1.00 0.00 N ATOM 1155 CA TYR A 79 10.117 1.472 -0.748 1.00 0.00 C ATOM 1156 C TYR A 79 11.425 0.854 -0.263 1.00 0.00 C ATOM 1157 O TYR A 79 12.507 1.243 -0.701 1.00 0.00 O ATOM 1158 CB TYR A 79 9.344 2.051 0.438 1.00 0.00 C ATOM 1159 CG TYR A 79 10.171 2.969 1.310 1.00 0.00 C ATOM 1160 CD1 TYR A 79 11.019 2.456 2.284 1.00 0.00 C ATOM 1161 CD2 TYR A 79 10.106 4.348 1.158 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.776 3.291 3.083 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.860 5.191 1.952 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.693 4.657 2.913 1.00 0.00 C ATOM 1165 OH TYR A 79 12.447 5.492 3.707 1.00 0.00 O ATOM 0 H TYR A 79 8.334 0.439 -1.136 1.00 0.00 H new ATOM 0 HA TYR A 79 10.352 2.275 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.480 2.600 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.962 1.232 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.087 1.387 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.455 4.769 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.429 2.876 3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.797 6.261 1.821 1.00 0.00 H new ATOM 0 HH TYR A 79 12.274 6.424 3.459 1.00 0.00 H new ATOM 1175 N GLU A 80 11.316 -0.113 0.643 1.00 0.00 N ATOM 1176 CA GLU A 80 12.489 -0.785 1.188 1.00 0.00 C ATOM 1177 C GLU A 80 13.397 -1.287 0.068 1.00 0.00 C ATOM 1178 O GLU A 80 14.616 -1.362 0.227 1.00 0.00 O ATOM 1179 CB GLU A 80 12.067 -1.954 2.080 1.00 0.00 C ATOM 1180 CG GLU A 80 13.234 -2.782 2.592 1.00 0.00 C ATOM 1181 CD GLU A 80 12.816 -3.794 3.640 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.452 -3.375 4.759 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.852 -5.006 3.342 1.00 0.00 O ATOM 0 H GLU A 80 10.427 -0.448 1.015 1.00 0.00 H new ATOM 0 HA GLU A 80 13.044 -0.063 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.506 -1.567 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.391 -2.601 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.700 -3.302 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.988 -2.118 3.014 1.00 0.00 H new ATOM 1190 N LYS A 81 12.794 -1.632 -1.065 1.00 0.00 N ATOM 1191 CA LYS A 81 13.545 -2.126 -2.212 1.00 0.00 C ATOM 1192 C LYS A 81 14.349 -1.004 -2.861 1.00 0.00 C ATOM 1193 O LYS A 81 15.524 -1.177 -3.188 1.00 0.00 O ATOM 1194 CB LYS A 81 12.597 -2.749 -3.239 1.00 0.00 C ATOM 1195 CG LYS A 81 12.391 -4.242 -3.051 1.00 0.00 C ATOM 1196 CD LYS A 81 11.960 -4.913 -4.344 1.00 0.00 C ATOM 1197 CE LYS A 81 10.511 -4.594 -4.682 1.00 0.00 C ATOM 1198 NZ LYS A 81 9.567 -5.207 -3.708 1.00 0.00 N ATOM 0 H LYS A 81 11.786 -1.578 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 81 14.239 -2.888 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.631 -2.247 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.990 -2.568 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.316 -4.696 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.637 -4.412 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.606 -4.584 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.085 -5.992 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.370 -3.513 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.284 -4.956 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.592 -5.098 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.785 -6.218 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.663 -4.734 -2.787 1.00 0.00 H new ATOM 1212 N PHE A 82 13.710 0.146 -3.044 1.00 0.00 N ATOM 1213 CA PHE A 82 14.366 1.297 -3.653 1.00 0.00 C ATOM 1214 C PHE A 82 14.975 2.203 -2.588 1.00 0.00 C ATOM 1215 O PHE A 82 16.190 2.401 -2.545 1.00 0.00 O ATOM 1216 CB PHE A 82 13.369 2.089 -4.502 1.00 0.00 C ATOM 1217 CG PHE A 82 12.854 1.325 -5.689 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.604 1.236 -6.851 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.620 0.697 -5.643 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.132 0.535 -7.944 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.143 -0.006 -6.733 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.901 -0.088 -7.885 1.00 0.00 C ATOM 0 H PHE A 82 12.738 0.306 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 82 15.167 0.929 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.527 2.385 -3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.847 3.005 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.568 1.720 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.024 0.758 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.726 0.474 -8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.179 -0.491 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.532 -0.638 -8.738 1.00 0.00 H new ATOM 1232 N PHE A 83 14.123 2.752 -1.728 1.00 0.00 N ATOM 1233 CA PHE A 83 14.576 3.639 -0.663 1.00 0.00 C ATOM 1234 C PHE A 83 15.633 2.956 0.201 1.00 0.00 C ATOM 1235 O PHE A 83 16.777 3.404 0.271 1.00 0.00 O ATOM 1236 CB PHE A 83 13.394 4.073 0.206 1.00 0.00 C ATOM 1237 CG PHE A 83 12.734 5.336 -0.268 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.933 5.334 -1.398 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.916 6.527 0.417 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.324 6.495 -1.837 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.309 7.691 -0.016 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.514 7.675 -1.145 1.00 0.00 C ATOM 0 H PHE A 83 13.115 2.598 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 83 15.022 4.520 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.655 3.272 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.739 4.215 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.782 4.414 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.539 6.546 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.701 6.479 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.456 8.612 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.041 8.584 -1.486 1.00 0.00 H new ATOM 1252 N ALA A 84 15.239 1.869 0.857 1.00 0.00 N ATOM 1253 CA ALA A 84 16.151 1.123 1.715 1.00 0.00 C ATOM 1254 C ALA A 84 17.069 0.225 0.892 1.00 0.00 C ATOM 1255 O ALA A 84 17.149 -0.980 1.127 1.00 0.00 O ATOM 1256 CB ALA A 84 15.369 0.296 2.725 1.00 0.00 C ATOM 0 H ALA A 84 14.295 1.486 0.810 1.00 0.00 H new ATOM 0 HA ALA A 84 16.772 1.840 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.063 -0.256 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.760 0.956 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.723 -0.406 2.198 1.00 0.00 H new