USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -159:sc= -0.28 USER MOD Single : A 41 SER OG : rot -23:sc= 0.154 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 80:sc= 0.954 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.78) USER MOD Single : A 70 CYS SG : rot 110:sc= -0.251 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0682 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.38) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 66:sc= 0.507 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 9 6.302 -2.116 -15.442 1.00 1.00 N ATOM 129 CA SER A 9 5.143 -3.036 -15.590 1.00 1.00 C ATOM 130 C SER A 9 3.805 -2.477 -15.058 1.00 1.00 C ATOM 131 O SER A 9 2.739 -2.810 -15.606 1.00 1.00 O ATOM 132 CB SER A 9 5.450 -4.348 -14.931 1.00 1.00 C ATOM 133 OG SER A 9 6.320 -5.120 -15.729 1.00 1.00 O ATOM 0 HA SER A 9 5.000 -3.165 -16.663 1.00 1.00 H new ATOM 0 HB2 SER A 9 5.904 -4.172 -13.956 1.00 1.00 H new ATOM 0 HB3 SER A 9 4.525 -4.898 -14.758 1.00 1.00 H new ATOM 0 HG SER A 9 6.508 -5.970 -15.280 1.00 1.00 H new ATOM 139 N ALA A 10 3.910 -1.576 -14.023 1.00 1.00 N ATOM 140 CA ALA A 10 2.759 -0.901 -13.409 1.00 1.00 C ATOM 141 C ALA A 10 2.210 0.288 -14.227 1.00 1.00 C ATOM 142 O ALA A 10 0.994 0.510 -14.248 1.00 1.00 O ATOM 143 CB ALA A 10 3.095 -0.483 -12.010 1.00 1.00 C ATOM 0 H ALA A 10 4.803 -1.313 -13.607 1.00 1.00 H new ATOM 0 HA ALA A 10 1.950 -1.632 -13.392 1.00 1.00 H new ATOM 0 HB1 ALA A 10 2.235 0.017 -11.563 1.00 1.00 H new ATOM 0 HB2 ALA A 10 3.351 -1.362 -11.419 1.00 1.00 H new ATOM 0 HB3 ALA A 10 3.943 0.201 -12.029 1.00 1.00 H new ATOM 149 N THR A 11 3.142 0.987 -14.930 1.00 1.00 N ATOM 150 CA THR A 11 2.842 2.173 -15.778 1.00 1.00 C ATOM 151 C THR A 11 2.381 1.849 -17.192 1.00 1.00 C ATOM 152 O THR A 11 1.550 2.584 -17.749 1.00 1.00 O ATOM 153 CB THR A 11 4.031 3.127 -15.876 1.00 1.00 C ATOM 154 OG1 THR A 11 5.278 2.406 -15.992 1.00 1.00 O ATOM 155 CG2 THR A 11 4.083 4.067 -14.681 1.00 1.00 C ATOM 0 H THR A 11 4.132 0.740 -14.924 1.00 1.00 H new ATOM 0 HA THR A 11 2.010 2.646 -15.257 1.00 1.00 H new ATOM 0 HB THR A 11 3.892 3.721 -16.779 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.020 3.043 -16.055 1.00 1.00 H new ATOM 0 HG21 THR A 11 4.940 4.734 -14.779 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.167 4.657 -14.642 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.179 3.485 -13.764 1.00 1.00 H new ATOM 163 N ARG A 12 2.851 0.610 -17.658 1.00 1.00 N ATOM 164 CA ARG A 12 2.500 0.110 -19.017 1.00 1.00 C ATOM 165 C ARG A 12 1.019 -0.153 -19.226 1.00 1.00 C ATOM 166 O ARG A 12 0.418 0.462 -20.125 1.00 1.00 O ATOM 167 CB ARG A 12 3.264 -1.139 -19.348 1.00 1.00 C ATOM 168 CG ARG A 12 4.504 -0.894 -20.146 1.00 1.00 C ATOM 169 CD ARG A 12 4.843 -2.081 -20.961 1.00 1.00 C ATOM 170 NE ARG A 12 6.197 -2.570 -20.673 1.00 1.00 N ATOM 171 CZ ARG A 12 6.591 -3.848 -20.827 1.00 1.00 C ATOM 172 NH1 ARG A 12 5.849 -4.703 -21.516 1.00 1.00 N ATOM 173 NH2 ARG A 12 7.733 -4.227 -20.326 1.00 1.00 N ATOM 0 H ARG A 12 3.447 -0.016 -17.117 1.00 1.00 H new ATOM 0 HA ARG A 12 2.780 0.922 -19.689 1.00 1.00 H new ATOM 0 HB2 ARG A 12 3.534 -1.645 -18.421 1.00 1.00 H new ATOM 0 HB3 ARG A 12 2.614 -1.815 -19.903 1.00 1.00 H new ATOM 0 HG2 ARG A 12 4.360 -0.030 -20.795 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.332 -0.657 -19.478 1.00 1.00 H new ATOM 0 HD2 ARG A 12 4.121 -2.874 -20.767 1.00 1.00 H new ATOM 0 HD3 ARG A 12 4.764 -1.830 -22.019 1.00 1.00 H new ATOM 0 HE ARG A 12 6.884 -1.897 -20.334 1.00 1.00 H new ATOM 0 HH11 ARG A 12 4.972 -4.395 -21.935 1.00 1.00 H new ATOM 0 HH12 ARG A 12 6.155 -5.669 -21.628 1.00 1.00 H new ATOM 0 HH21 ARG A 12 8.317 -3.558 -19.824 1.00 1.00 H new ATOM 0 HH22 ARG A 12 8.043 -5.193 -20.436 1.00 1.00 H new ATOM 187 N ARG A 13 0.408 -0.810 -18.165 1.00 1.00 N ATOM 188 CA ARG A 13 -1.023 -1.128 -18.129 1.00 1.00 C ATOM 189 C ARG A 13 -1.934 0.100 -17.980 1.00 1.00 C ATOM 190 O ARG A 13 -2.910 0.198 -18.722 1.00 1.00 O ATOM 191 CB ARG A 13 -1.314 -2.149 -17.075 1.00 1.00 C ATOM 192 CG ARG A 13 -1.266 -3.545 -17.598 1.00 1.00 C ATOM 193 CD ARG A 13 -1.559 -4.500 -16.528 1.00 1.00 C ATOM 194 NE ARG A 13 -1.552 -5.872 -17.024 1.00 1.00 N ATOM 195 CZ ARG A 13 -1.659 -6.954 -16.233 1.00 1.00 C ATOM 196 NH1 ARG A 13 -1.764 -6.826 -14.917 1.00 1.00 N ATOM 197 NH2 ARG A 13 -1.660 -8.133 -16.773 1.00 1.00 N ATOM 0 H ARG A 13 0.915 -1.117 -17.335 1.00 1.00 H new ATOM 0 HA ARG A 13 -1.260 -1.548 -19.107 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -0.593 -2.044 -16.264 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -2.300 -1.958 -16.652 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -1.987 -3.662 -18.407 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.281 -3.750 -18.017 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -0.821 -4.395 -15.732 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -2.532 -4.274 -16.092 1.00 1.00 H new ATOM 0 HE ARG A 13 -1.461 -6.019 -18.029 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -1.764 -5.898 -14.493 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -1.845 -7.655 -14.329 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -1.580 -8.230 -17.785 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -1.740 -8.963 -16.186 1.00 1.00 H new ATOM 211 N GLU A 14 -1.440 1.061 -17.125 1.00 1.00 N ATOM 212 CA GLU A 14 -2.107 2.355 -16.901 1.00 1.00 C ATOM 213 C GLU A 14 -2.104 3.234 -18.163 1.00 1.00 C ATOM 214 O GLU A 14 -3.106 3.888 -18.452 1.00 1.00 O ATOM 215 CB GLU A 14 -1.508 3.092 -15.747 1.00 1.00 C ATOM 216 CG GLU A 14 -2.214 2.855 -14.436 1.00 1.00 C ATOM 217 CD GLU A 14 -1.579 3.637 -13.308 1.00 1.00 C ATOM 218 OE1 GLU A 14 -0.628 3.116 -12.681 1.00 1.00 O ATOM 219 OE2 GLU A 14 -2.032 4.768 -13.046 1.00 1.00 O ATOM 0 H GLU A 14 -0.580 0.944 -16.589 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.145 2.129 -16.658 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -0.463 2.798 -15.644 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.519 4.160 -15.966 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.262 3.139 -14.531 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -2.192 1.791 -14.198 1.00 1.00 H new ATOM 226 N LYS A 15 -0.962 3.157 -18.946 1.00 1.00 N ATOM 227 CA LYS A 15 -0.775 3.887 -20.213 1.00 1.00 C ATOM 228 C LYS A 15 -1.698 3.406 -21.334 1.00 1.00 C ATOM 229 O LYS A 15 -2.138 4.215 -22.167 1.00 1.00 O ATOM 230 CB LYS A 15 0.651 3.831 -20.658 1.00 1.00 C ATOM 231 CG LYS A 15 1.442 5.041 -20.244 1.00 1.00 C ATOM 232 CD LYS A 15 2.900 4.867 -20.599 1.00 1.00 C ATOM 233 CE LYS A 15 3.720 6.077 -20.189 1.00 1.00 C ATOM 234 NZ LYS A 15 5.157 5.915 -20.543 1.00 1.00 N ATOM 0 H LYS A 15 -0.160 2.580 -18.693 1.00 1.00 H new ATOM 0 HA LYS A 15 -1.048 4.921 -20.004 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.120 2.938 -20.245 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.684 3.736 -21.743 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.045 5.928 -20.737 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.339 5.200 -19.171 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.292 3.977 -20.107 1.00 1.00 H new ATOM 0 HD3 LYS A 15 2.998 4.707 -21.673 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.323 6.967 -20.677 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.625 6.233 -19.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.685 6.761 -20.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.542 5.080 -20.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.249 5.791 -21.571 1.00 1.00 H new ATOM 248 N ILE A 16 -2.032 2.070 -21.292 1.00 1.00 N ATOM 249 CA ILE A 16 -2.955 1.436 -22.256 1.00 1.00 C ATOM 250 C ILE A 16 -4.393 1.999 -22.123 1.00 1.00 C ATOM 251 O ILE A 16 -4.992 2.350 -23.115 1.00 1.00 O ATOM 252 CB ILE A 16 -2.925 -0.127 -22.168 1.00 1.00 C ATOM 253 CG1 ILE A 16 -1.544 -0.655 -22.600 1.00 1.00 C ATOM 254 CG2 ILE A 16 -4.045 -0.744 -23.044 1.00 1.00 C ATOM 255 CD1 ILE A 16 -1.038 -1.795 -21.742 1.00 1.00 C ATOM 0 H ILE A 16 -1.665 1.425 -20.592 1.00 1.00 H new ATOM 0 HA ILE A 16 -2.599 1.694 -23.253 1.00 1.00 H new ATOM 0 HB ILE A 16 -3.103 -0.422 -21.134 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -1.599 -0.988 -23.637 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -0.824 0.163 -22.565 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -4.008 -1.831 -22.970 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -5.015 -0.389 -22.697 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -3.900 -0.446 -24.082 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -0.061 -2.117 -22.103 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -0.951 -1.461 -20.708 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -1.737 -2.629 -21.796 1.00 1.00 H new ATOM 267 N ILE A 17 -4.864 2.049 -20.890 1.00 1.00 N ATOM 268 CA ILE A 17 -6.205 2.552 -20.533 1.00 1.00 C ATOM 269 C ILE A 17 -6.329 4.125 -20.553 1.00 1.00 C ATOM 270 O ILE A 17 -7.329 4.687 -20.089 1.00 1.00 O ATOM 271 CB ILE A 17 -6.698 1.953 -19.161 1.00 1.00 C ATOM 272 CG1 ILE A 17 -5.566 1.888 -18.106 1.00 1.00 C ATOM 273 CG2 ILE A 17 -7.319 0.582 -19.381 1.00 1.00 C ATOM 274 CD1 ILE A 17 -5.766 2.819 -16.961 1.00 1.00 C ATOM 0 H ILE A 17 -4.324 1.738 -20.082 1.00 1.00 H new ATOM 0 HA ILE A 17 -6.868 2.198 -21.323 1.00 1.00 H new ATOM 0 HB ILE A 17 -7.457 2.626 -18.762 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -5.492 0.869 -17.727 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.616 2.118 -18.589 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -7.656 0.178 -18.426 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -8.169 0.672 -20.057 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -6.578 -0.088 -19.817 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -4.936 2.720 -16.262 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -5.810 3.844 -17.329 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -6.699 2.576 -16.453 1.00 1.00 H new ATOM 286 N GLU A 18 -5.148 4.778 -20.884 1.00 1.00 N ATOM 287 CA GLU A 18 -5.030 6.232 -20.897 1.00 1.00 C ATOM 288 C GLU A 18 -5.171 6.859 -22.291 1.00 1.00 C ATOM 289 O GLU A 18 -5.845 7.902 -22.405 1.00 1.00 O ATOM 290 CB GLU A 18 -3.736 6.618 -20.248 1.00 1.00 C ATOM 291 CG GLU A 18 -3.905 7.180 -18.864 1.00 1.00 C ATOM 292 CD GLU A 18 -2.591 7.635 -18.273 1.00 1.00 C ATOM 293 OE1 GLU A 18 -1.902 6.810 -17.636 1.00 1.00 O ATOM 294 OE2 GLU A 18 -2.251 8.829 -18.437 1.00 1.00 O ATOM 0 H GLU A 18 -4.289 4.291 -21.139 1.00 1.00 H new ATOM 0 HA GLU A 18 -5.870 6.634 -20.330 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -3.087 5.743 -20.200 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.231 7.355 -20.872 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -4.598 8.020 -18.896 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.351 6.424 -18.218 1.00 1.00 H new ATOM 301 N LEU A 19 -4.472 6.262 -23.303 1.00 1.00 N ATOM 302 CA LEU A 19 -4.513 6.732 -24.685 1.00 1.00 C ATOM 303 C LEU A 19 -5.655 6.147 -25.492 1.00 1.00 C ATOM 304 O LEU A 19 -6.217 6.833 -26.374 1.00 1.00 O ATOM 305 CB LEU A 19 -3.205 6.461 -25.379 1.00 1.00 C ATOM 306 CG LEU A 19 -2.399 7.703 -25.751 1.00 1.00 C ATOM 307 CD1 LEU A 19 -1.096 7.755 -24.970 1.00 1.00 C ATOM 308 CD2 LEU A 19 -2.107 7.720 -27.244 1.00 1.00 C ATOM 0 H LEU A 19 -3.874 5.448 -23.164 1.00 1.00 H new ATOM 0 HA LEU A 19 -4.687 7.807 -24.628 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -2.593 5.830 -24.734 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -3.404 5.891 -26.287 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.994 8.580 -25.495 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -0.538 8.648 -25.252 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -1.313 7.784 -23.902 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -0.501 6.870 -25.196 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -1.532 8.612 -27.492 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -1.534 6.832 -27.513 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -3.046 7.728 -27.798 1.00 1.00 H new ATOM 320 N LEU A 20 -6.099 4.882 -25.093 1.00 1.00 N ATOM 321 CA LEU A 20 -7.175 4.127 -25.759 1.00 1.00 C ATOM 322 C LEU A 20 -8.576 4.674 -25.505 1.00 1.00 C ATOM 323 O LEU A 20 -9.520 4.378 -26.282 1.00 1.00 O ATOM 324 CB LEU A 20 -7.127 2.695 -25.343 1.00 1.00 C ATOM 325 CG LEU A 20 -6.884 1.685 -26.454 1.00 1.00 C ATOM 326 CD1 LEU A 20 -5.550 0.996 -26.248 1.00 1.00 C ATOM 327 CD2 LEU A 20 -7.994 0.648 -26.489 1.00 1.00 C ATOM 0 H LEU A 20 -5.698 4.387 -24.296 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.989 4.233 -26.828 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.341 2.580 -24.597 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.069 2.448 -24.854 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.873 2.218 -27.405 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.385 0.275 -27.049 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -4.752 1.738 -26.258 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.552 0.479 -25.289 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.801 -0.065 -27.291 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.030 0.121 -25.536 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -8.949 1.143 -26.666 1.00 1.00 H new ATOM 339 N LEU A 21 -8.703 5.665 -24.490 1.00 1.00 N ATOM 340 CA LEU A 21 -9.951 6.321 -24.125 1.00 1.00 C ATOM 341 C LEU A 21 -10.218 7.569 -24.981 1.00 1.00 C ATOM 342 O LEU A 21 -11.351 8.086 -25.001 1.00 1.00 O ATOM 343 CB LEU A 21 -9.923 6.654 -22.652 1.00 1.00 C ATOM 344 CG LEU A 21 -11.166 6.231 -21.876 1.00 1.00 C ATOM 345 CD1 LEU A 21 -10.791 5.263 -20.770 1.00 1.00 C ATOM 346 CD2 LEU A 21 -11.876 7.453 -21.309 1.00 1.00 C ATOM 0 H LEU A 21 -7.908 5.988 -23.939 1.00 1.00 H new ATOM 0 HA LEU A 21 -10.776 5.637 -24.322 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -9.052 6.177 -22.203 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -9.791 7.730 -22.540 1.00 1.00 H new ATOM 0 HG LEU A 21 -11.850 5.724 -22.556 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -11.688 4.969 -20.224 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -10.324 4.379 -21.203 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -10.092 5.745 -20.087 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -12.761 7.136 -20.758 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -11.202 7.987 -20.638 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -12.173 8.112 -22.125 1.00 1.00 H new ATOM 358 N GLU A 22 -9.144 8.023 -25.715 1.00 1.00 N ATOM 359 CA GLU A 22 -9.205 9.182 -26.597 1.00 1.00 C ATOM 360 C GLU A 22 -9.342 8.809 -28.091 1.00 1.00 C ATOM 361 O GLU A 22 -9.901 9.627 -28.857 1.00 1.00 O ATOM 362 CB GLU A 22 -8.001 10.065 -26.364 1.00 1.00 C ATOM 363 CG GLU A 22 -8.253 11.183 -25.369 1.00 1.00 C ATOM 364 CD GLU A 22 -7.024 12.029 -25.151 1.00 1.00 C ATOM 365 OE1 GLU A 22 -6.222 11.697 -24.248 1.00 1.00 O ATOM 366 OE2 GLU A 22 -6.861 13.037 -25.871 1.00 1.00 O ATOM 0 H GLU A 22 -8.227 7.577 -25.692 1.00 1.00 H new ATOM 0 HA GLU A 22 -10.113 9.730 -26.346 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.174 9.451 -26.007 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.689 10.499 -27.314 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.068 11.812 -25.728 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.574 10.757 -24.418 1.00 1.00 H new ATOM 373 N GLY A 23 -8.853 7.602 -28.465 1.00 1.00 N ATOM 374 CA GLY A 23 -8.928 7.136 -29.824 1.00 1.00 C ATOM 375 C GLY A 23 -8.715 5.673 -29.928 1.00 1.00 C ATOM 376 O GLY A 23 -8.814 4.933 -28.910 1.00 1.00 O ATOM 0 H GLY A 23 -8.405 6.949 -27.823 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -9.903 7.390 -30.240 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -8.181 7.654 -30.425 1.00 1.00 H new ATOM 380 N ASP A 24 -8.466 5.205 -31.170 1.00 1.00 N ATOM 381 CA ASP A 24 -8.227 3.788 -31.439 1.00 1.00 C ATOM 382 C ASP A 24 -6.853 3.613 -32.016 1.00 1.00 C ATOM 383 O ASP A 24 -6.422 4.368 -32.938 1.00 1.00 O ATOM 384 CB ASP A 24 -9.297 3.216 -32.383 1.00 1.00 C ATOM 385 CG ASP A 24 -9.824 1.879 -31.901 1.00 1.00 C ATOM 386 OD1 ASP A 24 -9.130 0.861 -32.101 1.00 1.00 O ATOM 387 OD2 ASP A 24 -10.938 1.851 -31.341 1.00 1.00 O ATOM 0 H ASP A 24 -8.427 5.798 -31.999 1.00 1.00 H new ATOM 0 HA ASP A 24 -8.292 3.235 -30.502 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -10.123 3.923 -32.465 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -8.875 3.101 -33.381 1.00 1.00 H new ATOM 392 N TYR A 25 -6.131 2.602 -31.488 1.00 1.00 N ATOM 393 CA TYR A 25 -4.783 2.282 -31.934 1.00 1.00 C ATOM 394 C TYR A 25 -4.587 0.826 -31.944 1.00 1.00 C ATOM 395 O TYR A 25 -5.113 0.100 -31.057 1.00 1.00 O ATOM 396 CB TYR A 25 -3.685 2.974 -31.049 1.00 1.00 C ATOM 397 CG TYR A 25 -3.354 4.402 -31.478 1.00 1.00 C ATOM 398 CD1 TYR A 25 -2.351 4.646 -32.415 1.00 1.00 C ATOM 399 CD2 TYR A 25 -4.026 5.491 -30.924 1.00 1.00 C ATOM 400 CE1 TYR A 25 -2.031 5.923 -32.784 1.00 1.00 C ATOM 401 CE2 TYR A 25 -3.713 6.770 -31.297 1.00 1.00 C ATOM 402 CZ TYR A 25 -2.713 6.984 -32.224 1.00 1.00 C ATOM 403 OH TYR A 25 -2.386 8.267 -32.586 1.00 1.00 O ATOM 0 H TYR A 25 -6.475 1.995 -30.745 1.00 1.00 H new ATOM 0 HA TYR A 25 -4.673 2.670 -32.947 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -4.022 2.985 -30.012 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -2.775 2.375 -31.082 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -1.820 3.815 -32.855 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -4.802 5.323 -30.192 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -1.250 6.100 -33.509 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -4.245 7.607 -30.869 1.00 1.00 H new ATOM 0 HH TYR A 25 -2.959 8.899 -32.104 1.00 1.00 H new ATOM 413 N SER A 26 -3.808 0.363 -32.948 1.00 1.00 N ATOM 414 CA SER A 26 -3.468 -1.023 -33.112 1.00 1.00 C ATOM 415 C SER A 26 -2.388 -1.440 -32.070 1.00 1.00 C ATOM 416 O SER A 26 -1.711 -0.527 -31.522 1.00 1.00 O ATOM 417 CB SER A 26 -2.991 -1.342 -34.518 1.00 1.00 C ATOM 418 OG SER A 26 -4.046 -1.901 -35.281 1.00 1.00 O ATOM 0 H SER A 26 -3.405 0.969 -33.663 1.00 1.00 H new ATOM 0 HA SER A 26 -4.378 -1.598 -32.943 1.00 1.00 H new ATOM 0 HB2 SER A 26 -2.626 -0.435 -35.000 1.00 1.00 H new ATOM 0 HB3 SER A 26 -2.154 -2.040 -34.476 1.00 1.00 H new ATOM 0 HG SER A 26 -3.726 -2.100 -36.185 1.00 1.00 H new ATOM 424 N PRO A 27 -2.258 -2.803 -31.664 1.00 1.00 N ATOM 425 CA PRO A 27 -1.214 -3.269 -30.688 1.00 1.00 C ATOM 426 C PRO A 27 0.246 -2.879 -31.041 1.00 1.00 C ATOM 427 O PRO A 27 1.011 -2.464 -30.136 1.00 1.00 O ATOM 428 CB PRO A 27 -1.411 -4.746 -30.701 1.00 1.00 C ATOM 429 CG PRO A 27 -2.841 -4.932 -31.056 1.00 1.00 C ATOM 430 CD PRO A 27 -3.093 -3.969 -32.103 1.00 1.00 C ATOM 0 HA PRO A 27 -1.339 -2.796 -29.714 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -0.757 -5.226 -31.428 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -1.184 -5.184 -29.729 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -3.034 -5.948 -31.399 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -3.487 -4.758 -30.196 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -2.790 -4.342 -33.081 1.00 1.00 H new ATOM 0 HD3 PRO A 27 -4.150 -3.710 -32.173 1.00 1.00 H new ATOM 438 N SER A 28 0.594 -2.952 -32.387 1.00 1.00 N ATOM 439 CA SER A 28 1.896 -2.486 -32.926 1.00 1.00 C ATOM 440 C SER A 28 2.064 -0.960 -32.864 1.00 1.00 C ATOM 441 O SER A 28 3.154 -0.478 -32.614 1.00 1.00 O ATOM 442 CB SER A 28 2.097 -2.960 -34.333 1.00 1.00 C ATOM 443 OG SER A 28 2.341 -4.340 -34.385 1.00 1.00 O ATOM 0 H SER A 28 -0.027 -3.334 -33.100 1.00 1.00 H new ATOM 0 HA SER A 28 2.659 -2.923 -32.281 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.214 -2.724 -34.926 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.934 -2.425 -34.781 1.00 1.00 H new ATOM 0 HG SER A 28 2.786 -4.562 -35.229 1.00 1.00 H new ATOM 449 N GLU A 29 0.865 -0.248 -32.932 1.00 1.00 N ATOM 450 CA GLU A 29 0.766 1.220 -32.855 1.00 1.00 C ATOM 451 C GLU A 29 0.970 1.773 -31.413 1.00 1.00 C ATOM 452 O GLU A 29 1.619 2.804 -31.266 1.00 1.00 O ATOM 453 CB GLU A 29 -0.531 1.682 -33.467 1.00 1.00 C ATOM 454 CG GLU A 29 -0.446 1.951 -34.956 1.00 1.00 C ATOM 455 CD GLU A 29 -1.737 2.499 -35.504 1.00 1.00 C ATOM 456 OE1 GLU A 29 -2.599 1.691 -35.919 1.00 1.00 O ATOM 457 OE2 GLU A 29 -1.896 3.737 -35.514 1.00 1.00 O ATOM 0 H GLU A 29 -0.040 -0.706 -33.042 1.00 1.00 H new ATOM 0 HA GLU A 29 1.589 1.636 -33.436 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -1.296 0.926 -33.287 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -0.856 2.591 -32.961 1.00 1.00 H new ATOM 0 HG2 GLU A 29 0.360 2.658 -35.151 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -0.193 1.028 -35.478 1.00 1.00 H new ATOM 464 N LEU A 30 0.439 0.972 -30.439 1.00 1.00 N ATOM 465 CA LEU A 30 0.555 1.302 -29.016 1.00 1.00 C ATOM 466 C LEU A 30 1.990 1.220 -28.619 1.00 1.00 C ATOM 467 O LEU A 30 2.578 2.229 -28.220 1.00 1.00 O ATOM 468 CB LEU A 30 -0.312 0.390 -28.157 1.00 1.00 C ATOM 469 CG LEU A 30 -1.721 0.858 -27.889 1.00 1.00 C ATOM 470 CD1 LEU A 30 -2.708 -0.207 -28.315 1.00 1.00 C ATOM 471 CD2 LEU A 30 -1.901 1.190 -26.416 1.00 1.00 C ATOM 0 H LEU A 30 -0.065 0.106 -30.629 1.00 1.00 H new ATOM 0 HA LEU A 30 0.192 2.317 -28.853 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -0.363 -0.586 -28.639 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.188 0.247 -27.199 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.907 1.763 -28.468 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.723 0.138 -28.118 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -2.592 -0.405 -29.381 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -2.521 -1.122 -27.753 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.923 1.526 -26.241 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.703 0.302 -25.816 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.206 1.981 -26.134 1.00 1.00 H new ATOM 483 N ALA A 31 2.608 -0.022 -28.694 1.00 1.00 N ATOM 484 CA ALA A 31 4.048 -0.273 -28.463 1.00 1.00 C ATOM 485 C ALA A 31 5.002 0.673 -29.280 1.00 1.00 C ATOM 486 O ALA A 31 6.074 1.013 -28.797 1.00 1.00 O ATOM 487 CB ALA A 31 4.390 -1.660 -28.800 1.00 1.00 C ATOM 0 H ALA A 31 2.092 -0.872 -28.921 1.00 1.00 H new ATOM 0 HA ALA A 31 4.204 -0.070 -27.404 1.00 1.00 H new ATOM 0 HB1 ALA A 31 5.453 -1.826 -28.624 1.00 1.00 H new ATOM 0 HB2 ALA A 31 3.809 -2.340 -28.177 1.00 1.00 H new ATOM 0 HB3 ALA A 31 4.163 -1.846 -29.850 1.00 1.00 H new ATOM 493 N ARG A 32 4.426 1.302 -30.424 1.00 1.00 N ATOM 494 CA ARG A 32 5.089 2.330 -31.245 1.00 1.00 C ATOM 495 C ARG A 32 5.160 3.700 -30.509 1.00 1.00 C ATOM 496 O ARG A 32 6.210 4.320 -30.486 1.00 1.00 O ATOM 497 CB ARG A 32 4.428 2.445 -32.588 1.00 1.00 C ATOM 498 CG ARG A 32 5.177 1.758 -33.677 1.00 1.00 C ATOM 499 CD ARG A 32 4.440 1.924 -34.984 1.00 1.00 C ATOM 500 NE ARG A 32 5.189 1.389 -36.151 1.00 1.00 N ATOM 501 CZ ARG A 32 5.701 2.153 -37.169 1.00 1.00 C ATOM 502 NH1 ARG A 32 5.712 3.475 -37.092 1.00 1.00 N ATOM 503 NH2 ARG A 32 6.204 1.570 -38.222 1.00 1.00 N ATOM 0 H ARG A 32 3.489 1.073 -30.757 1.00 1.00 H new ATOM 0 HA ARG A 32 6.119 2.014 -31.410 1.00 1.00 H new ATOM 0 HB2 ARG A 32 3.424 2.026 -32.527 1.00 1.00 H new ATOM 0 HB3 ARG A 32 4.318 3.499 -32.842 1.00 1.00 H new ATOM 0 HG2 ARG A 32 6.181 2.174 -33.759 1.00 1.00 H new ATOM 0 HG3 ARG A 32 5.289 0.699 -33.443 1.00 1.00 H new ATOM 0 HD2 ARG A 32 3.476 1.419 -34.917 1.00 1.00 H new ATOM 0 HD3 ARG A 32 4.235 2.982 -35.146 1.00 1.00 H new ATOM 0 HE ARG A 32 5.333 0.380 -36.198 1.00 1.00 H new ATOM 0 HH11 ARG A 32 5.336 3.941 -36.266 1.00 1.00 H new ATOM 0 HH12 ARG A 32 6.097 4.027 -37.858 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.215 0.552 -38.285 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.586 2.132 -38.982 1.00 1.00 H new ATOM 517 N ILE A 33 4.001 4.081 -29.878 1.00 1.00 N ATOM 518 CA ILE A 33 3.896 5.289 -29.007 1.00 1.00 C ATOM 519 C ILE A 33 4.414 4.862 -27.570 1.00 1.00 C ATOM 520 O ILE A 33 3.564 4.510 -26.665 1.00 1.00 O ATOM 521 CB ILE A 33 2.415 5.901 -29.035 1.00 1.00 C ATOM 522 CG1 ILE A 33 2.383 7.175 -28.153 1.00 1.00 C ATOM 523 CG2 ILE A 33 1.355 4.848 -28.557 1.00 1.00 C ATOM 524 CD1 ILE A 33 1.782 8.357 -28.812 1.00 1.00 C ATOM 0 H ILE A 33 3.127 3.562 -29.961 1.00 1.00 H new ATOM 0 HA ILE A 33 4.517 6.110 -29.366 1.00 1.00 H new ATOM 0 HB ILE A 33 2.153 6.167 -30.059 1.00 1.00 H new ATOM 0 HG12 ILE A 33 1.825 6.958 -27.242 1.00 1.00 H new ATOM 0 HG13 ILE A 33 3.402 7.420 -27.852 1.00 1.00 H new ATOM 0 HG21 ILE A 33 0.361 5.293 -28.587 1.00 1.00 H new ATOM 0 HG22 ILE A 33 1.384 3.979 -29.214 1.00 1.00 H new ATOM 0 HG23 ILE A 33 1.583 4.539 -27.537 1.00 1.00 H new ATOM 0 HD11 ILE A 33 1.799 9.204 -28.126 1.00 1.00 H new ATOM 0 HD12 ILE A 33 2.352 8.604 -29.707 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.751 8.135 -29.088 1.00 1.00 H new ATOM 536 N LEU A 34 5.688 4.906 -27.363 1.00 1.00 N ATOM 537 CA LEU A 34 6.300 4.422 -26.097 1.00 1.00 C ATOM 538 C LEU A 34 7.756 4.792 -26.030 1.00 1.00 C ATOM 539 O LEU A 34 8.330 5.354 -26.999 1.00 1.00 O ATOM 540 CB LEU A 34 6.094 2.850 -26.090 1.00 1.00 C ATOM 541 CG LEU A 34 5.377 2.311 -24.870 1.00 1.00 C ATOM 542 CD1 LEU A 34 4.076 1.619 -25.254 1.00 1.00 C ATOM 543 CD2 LEU A 34 6.291 1.370 -24.134 1.00 1.00 C ATOM 0 H LEU A 34 6.359 5.269 -28.040 1.00 1.00 H new ATOM 0 HA LEU A 34 5.835 4.879 -25.223 1.00 1.00 H new ATOM 0 HB2 LEU A 34 5.531 2.567 -26.980 1.00 1.00 H new ATOM 0 HB3 LEU A 34 7.069 2.369 -26.163 1.00 1.00 H new ATOM 0 HG LEU A 34 5.116 3.143 -24.216 1.00 1.00 H new ATOM 0 HD11 LEU A 34 3.585 1.243 -24.356 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.420 2.330 -25.756 1.00 1.00 H new ATOM 0 HD13 LEU A 34 4.291 0.788 -25.925 1.00 1.00 H new ATOM 0 HD21 LEU A 34 5.779 0.979 -23.255 1.00 1.00 H new ATOM 0 HD22 LEU A 34 6.568 0.544 -24.790 1.00 1.00 H new ATOM 0 HD23 LEU A 34 7.189 1.904 -23.824 1.00 1.00 H new ATOM 644 N SER A 41 4.811 -7.482 -30.114 1.00 1.00 N ATOM 645 CA SER A 41 4.000 -6.765 -29.096 1.00 1.00 C ATOM 646 C SER A 41 2.520 -7.029 -29.189 1.00 1.00 C ATOM 647 O SER A 41 1.793 -6.836 -28.190 1.00 1.00 O ATOM 648 CB SER A 41 4.239 -5.253 -29.197 1.00 1.00 C ATOM 649 OG SER A 41 4.163 -4.767 -30.545 1.00 1.00 O ATOM 0 HA SER A 41 4.333 -7.153 -28.133 1.00 1.00 H new ATOM 0 HB2 SER A 41 3.502 -4.732 -28.586 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.220 -5.016 -28.785 1.00 1.00 H new ATOM 0 HG SER A 41 4.330 -5.504 -31.168 1.00 1.00 H new ATOM 655 N LYS A 42 2.089 -7.590 -30.362 1.00 1.00 N ATOM 656 CA LYS A 42 0.659 -7.880 -30.694 1.00 1.00 C ATOM 657 C LYS A 42 -0.036 -8.848 -29.707 1.00 1.00 C ATOM 658 O LYS A 42 -1.118 -8.510 -29.231 1.00 1.00 O ATOM 659 CB LYS A 42 0.525 -8.389 -32.121 1.00 1.00 C ATOM 660 CG LYS A 42 0.655 -7.316 -33.190 1.00 1.00 C ATOM 661 CD LYS A 42 0.550 -7.912 -34.572 1.00 1.00 C ATOM 662 CE LYS A 42 0.628 -6.836 -35.635 1.00 1.00 C ATOM 663 NZ LYS A 42 0.526 -7.405 -37.005 1.00 1.00 N ATOM 0 H LYS A 42 2.732 -7.855 -31.108 1.00 1.00 H new ATOM 0 HA LYS A 42 0.139 -6.927 -30.596 1.00 1.00 H new ATOM 0 HB2 LYS A 42 1.286 -9.150 -32.294 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -0.444 -8.876 -32.230 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -0.124 -6.566 -33.054 1.00 1.00 H new ATOM 0 HG3 LYS A 42 1.612 -6.805 -33.083 1.00 1.00 H new ATOM 0 HD2 LYS A 42 1.352 -8.635 -34.722 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -0.390 -8.455 -34.667 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -0.174 -6.114 -35.481 1.00 1.00 H new ATOM 0 HE3 LYS A 42 1.569 -6.294 -35.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 0.583 -6.638 -37.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 1.306 -8.075 -37.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -0.383 -7.900 -37.108 1.00 1.00 H new ATOM 677 N LYS A 43 0.713 -9.933 -29.331 1.00 1.00 N ATOM 678 CA LYS A 43 0.258 -10.928 -28.333 1.00 1.00 C ATOM 679 C LYS A 43 0.245 -10.370 -26.896 1.00 1.00 C ATOM 680 O LYS A 43 -0.601 -10.732 -26.082 1.00 1.00 O ATOM 681 CB LYS A 43 1.100 -12.165 -28.410 1.00 1.00 C ATOM 682 CG LYS A 43 0.444 -13.283 -29.168 1.00 1.00 C ATOM 683 CD LYS A 43 1.389 -14.456 -29.317 1.00 1.00 C ATOM 684 CE LYS A 43 0.724 -15.608 -30.048 1.00 1.00 C ATOM 685 NZ LYS A 43 1.721 -16.593 -30.550 1.00 1.00 N ATOM 0 H LYS A 43 1.638 -10.131 -29.713 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.774 -11.178 -28.581 1.00 1.00 H new ATOM 0 HB2 LYS A 43 2.050 -11.921 -28.886 1.00 1.00 H new ATOM 0 HB3 LYS A 43 1.328 -12.505 -27.400 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -0.459 -13.601 -28.647 1.00 1.00 H new ATOM 0 HG3 LYS A 43 0.137 -12.930 -30.152 1.00 1.00 H new ATOM 0 HD2 LYS A 43 2.279 -14.142 -29.862 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.718 -14.788 -28.332 1.00 1.00 H new ATOM 0 HE2 LYS A 43 0.024 -16.108 -29.378 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.143 -15.221 -30.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 1.228 -17.365 -31.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.373 -16.122 -31.209 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.259 -16.982 -29.749 1.00 1.00 H new ATOM 699 N VAL A 44 1.194 -9.409 -26.670 1.00 1.00 N ATOM 700 CA VAL A 44 1.361 -8.714 -25.360 1.00 1.00 C ATOM 701 C VAL A 44 0.148 -7.785 -25.067 1.00 1.00 C ATOM 702 O VAL A 44 -0.383 -7.826 -23.964 1.00 1.00 O ATOM 703 CB VAL A 44 2.705 -7.934 -25.255 1.00 1.00 C ATOM 704 CG1 VAL A 44 3.065 -7.694 -23.794 1.00 1.00 C ATOM 705 CG2 VAL A 44 3.830 -8.639 -25.990 1.00 1.00 C ATOM 0 H VAL A 44 1.855 -9.100 -27.383 1.00 1.00 H new ATOM 0 HA VAL A 44 1.396 -9.491 -24.596 1.00 1.00 H new ATOM 0 HB VAL A 44 2.568 -6.968 -25.742 1.00 1.00 H new ATOM 0 HG11 VAL A 44 4.007 -7.148 -23.736 1.00 1.00 H new ATOM 0 HG12 VAL A 44 2.278 -7.111 -23.316 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.169 -8.651 -23.283 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.748 -8.060 -25.891 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.978 -9.631 -25.563 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.573 -8.733 -27.045 1.00 1.00 H new ATOM 715 N ILE A 45 -0.233 -7.018 -26.098 1.00 1.00 N ATOM 716 CA ILE A 45 -1.371 -6.088 -26.028 1.00 1.00 C ATOM 717 C ILE A 45 -2.707 -6.807 -26.058 1.00 1.00 C ATOM 718 O ILE A 45 -3.671 -6.301 -25.447 1.00 1.00 O ATOM 719 CB ILE A 45 -1.306 -4.969 -27.124 1.00 1.00 C ATOM 720 CG1 ILE A 45 0.147 -4.348 -27.259 1.00 1.00 C ATOM 721 CG2 ILE A 45 -2.330 -3.842 -26.826 1.00 1.00 C ATOM 722 CD1 ILE A 45 0.723 -3.679 -25.988 1.00 1.00 C ATOM 0 H ILE A 45 0.238 -7.024 -27.003 1.00 1.00 H new ATOM 0 HA ILE A 45 -1.288 -5.593 -25.060 1.00 1.00 H new ATOM 0 HB ILE A 45 -1.559 -5.444 -28.072 1.00 1.00 H new ATOM 0 HG12 ILE A 45 0.830 -5.138 -27.570 1.00 1.00 H new ATOM 0 HG13 ILE A 45 0.131 -3.608 -28.059 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -2.265 -3.078 -27.600 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -3.337 -4.260 -26.811 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -2.108 -3.396 -25.857 1.00 1.00 H new ATOM 0 HD11 ILE A 45 1.719 -3.291 -26.201 1.00 1.00 H new ATOM 0 HD12 ILE A 45 0.073 -2.860 -25.682 1.00 1.00 H new ATOM 0 HD13 ILE A 45 0.783 -4.414 -25.185 1.00 1.00 H new ATOM 734 N LEU A 46 -2.742 -7.939 -26.781 1.00 1.00 N ATOM 735 CA LEU A 46 -3.928 -8.783 -26.894 1.00 1.00 C ATOM 736 C LEU A 46 -4.322 -9.446 -25.534 1.00 1.00 C ATOM 737 O LEU A 46 -5.507 -9.483 -25.206 1.00 1.00 O ATOM 738 CB LEU A 46 -3.723 -9.828 -27.976 1.00 1.00 C ATOM 739 CG LEU A 46 -4.956 -10.149 -28.814 1.00 1.00 C ATOM 740 CD1 LEU A 46 -4.589 -10.179 -30.272 1.00 1.00 C ATOM 741 CD2 LEU A 46 -5.577 -11.473 -28.384 1.00 1.00 C ATOM 0 H LEU A 46 -1.940 -8.290 -27.304 1.00 1.00 H new ATOM 0 HA LEU A 46 -4.763 -8.141 -27.176 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.930 -9.487 -28.642 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -3.373 -10.748 -27.508 1.00 1.00 H new ATOM 0 HG LEU A 46 -5.699 -9.368 -28.655 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -5.474 -10.409 -30.865 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -4.196 -9.206 -30.568 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -3.831 -10.944 -30.441 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -6.455 -11.679 -28.997 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -4.849 -12.274 -28.511 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -5.872 -11.413 -27.336 1.00 1.00 H new ATOM 753 N GLU A 47 -3.250 -9.883 -24.786 1.00 1.00 N ATOM 754 CA GLU A 47 -3.393 -10.488 -23.449 1.00 1.00 C ATOM 755 C GLU A 47 -3.660 -9.428 -22.371 1.00 1.00 C ATOM 756 O GLU A 47 -4.323 -9.709 -21.372 1.00 1.00 O ATOM 757 CB GLU A 47 -2.233 -11.354 -23.118 1.00 1.00 C ATOM 758 CG GLU A 47 -2.445 -12.805 -23.505 1.00 1.00 C ATOM 759 CD GLU A 47 -1.290 -13.674 -23.066 1.00 1.00 C ATOM 760 OE1 GLU A 47 -1.326 -14.179 -21.921 1.00 1.00 O ATOM 761 OE2 GLU A 47 -0.349 -13.859 -23.865 1.00 1.00 O ATOM 0 H GLU A 47 -2.283 -9.818 -25.105 1.00 1.00 H new ATOM 0 HA GLU A 47 -4.271 -11.133 -23.472 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -1.347 -10.974 -23.626 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -2.036 -11.295 -22.048 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -3.368 -13.171 -23.054 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -2.567 -12.880 -24.586 1.00 1.00 H new ATOM 768 N ASP A 48 -3.145 -8.158 -22.660 1.00 1.00 N ATOM 769 CA ASP A 48 -3.384 -6.941 -21.821 1.00 1.00 C ATOM 770 C ASP A 48 -4.869 -6.543 -21.808 1.00 1.00 C ATOM 771 O ASP A 48 -5.399 -6.138 -20.777 1.00 1.00 O ATOM 772 CB ASP A 48 -2.520 -5.812 -22.247 1.00 1.00 C ATOM 773 CG ASP A 48 -1.278 -5.687 -21.412 1.00 1.00 C ATOM 774 OD1 ASP A 48 -0.319 -6.457 -21.621 1.00 1.00 O ATOM 775 OD2 ASP A 48 -1.259 -4.801 -20.544 1.00 1.00 O ATOM 0 H ASP A 48 -2.562 -7.974 -23.477 1.00 1.00 H new ATOM 0 HA ASP A 48 -3.110 -7.194 -20.797 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.239 -5.949 -23.291 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -3.087 -4.883 -22.189 1.00 1.00 H new ATOM 780 N LEU A 49 -5.564 -6.840 -22.969 1.00 1.00 N ATOM 781 CA LEU A 49 -7.008 -6.694 -23.104 1.00 1.00 C ATOM 782 C LEU A 49 -7.840 -7.611 -22.268 1.00 1.00 C ATOM 783 O LEU A 49 -8.887 -7.208 -21.793 1.00 1.00 O ATOM 784 CB LEU A 49 -7.416 -6.779 -24.581 1.00 1.00 C ATOM 785 CG LEU A 49 -7.758 -5.444 -25.305 1.00 1.00 C ATOM 786 CD1 LEU A 49 -9.201 -5.026 -24.994 1.00 1.00 C ATOM 787 CD2 LEU A 49 -6.772 -4.322 -24.940 1.00 1.00 C ATOM 0 H LEU A 49 -5.109 -7.184 -23.815 1.00 1.00 H new ATOM 0 HA LEU A 49 -7.224 -5.703 -22.704 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -6.606 -7.261 -25.128 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -8.284 -7.434 -24.654 1.00 1.00 H new ATOM 0 HG LEU A 49 -7.664 -5.615 -26.377 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -9.427 -4.091 -25.506 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -9.886 -5.802 -25.335 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -9.316 -4.888 -23.919 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -7.048 -3.409 -25.468 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -6.805 -4.144 -23.865 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -5.763 -4.616 -25.228 1.00 1.00 H new ATOM 799 N LYS A 50 -7.280 -8.833 -22.076 1.00 1.00 N ATOM 800 CA LYS A 50 -7.889 -9.912 -21.267 1.00 1.00 C ATOM 801 C LYS A 50 -8.048 -9.545 -19.772 1.00 1.00 C ATOM 802 O LYS A 50 -9.121 -9.710 -19.209 1.00 1.00 O ATOM 803 CB LYS A 50 -7.120 -11.205 -21.397 1.00 1.00 C ATOM 804 CG LYS A 50 -7.340 -11.938 -22.701 1.00 1.00 C ATOM 805 CD LYS A 50 -6.499 -13.185 -22.770 1.00 1.00 C ATOM 806 CE LYS A 50 -6.657 -13.872 -24.111 1.00 1.00 C ATOM 807 NZ LYS A 50 -5.834 -15.105 -24.199 1.00 1.00 N ATOM 0 H LYS A 50 -6.383 -9.096 -22.485 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.891 -10.047 -21.675 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -6.056 -10.993 -21.289 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -7.399 -11.863 -20.574 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -8.393 -12.200 -22.801 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -7.093 -11.283 -23.536 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -5.451 -12.931 -22.609 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -6.788 -13.868 -21.971 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -7.706 -14.123 -24.270 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -6.370 -13.185 -24.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -5.969 -15.547 -25.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -4.831 -14.862 -24.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -6.125 -15.771 -23.455 1.00 1.00 H new ATOM 821 N VAL A 51 -7.014 -8.851 -19.250 1.00 1.00 N ATOM 822 CA VAL A 51 -6.928 -8.347 -17.863 1.00 1.00 C ATOM 823 C VAL A 51 -7.715 -7.063 -17.648 1.00 1.00 C ATOM 824 O VAL A 51 -8.454 -6.967 -16.673 1.00 1.00 O ATOM 825 CB VAL A 51 -5.474 -8.127 -17.385 1.00 1.00 C ATOM 826 CG1 VAL A 51 -5.123 -9.123 -16.306 1.00 1.00 C ATOM 827 CG2 VAL A 51 -4.465 -8.189 -18.538 1.00 1.00 C ATOM 0 H VAL A 51 -6.188 -8.618 -19.802 1.00 1.00 H new ATOM 0 HA VAL A 51 -7.376 -9.140 -17.264 1.00 1.00 H new ATOM 0 HB VAL A 51 -5.414 -7.120 -16.971 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -4.097 -8.958 -15.978 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -5.799 -8.997 -15.460 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -5.219 -10.135 -16.700 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -3.459 -8.029 -18.150 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -4.518 -9.167 -19.016 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -4.700 -7.415 -19.269 1.00 1.00 H new ATOM 837 N ILE A 52 -7.662 -6.163 -18.699 1.00 1.00 N ATOM 838 CA ILE A 52 -8.406 -4.891 -18.711 1.00 1.00 C ATOM 839 C ILE A 52 -9.945 -5.095 -18.798 1.00 1.00 C ATOM 840 O ILE A 52 -10.681 -4.297 -18.206 1.00 1.00 O ATOM 841 CB ILE A 52 -7.876 -3.919 -19.807 1.00 1.00 C ATOM 842 CG1 ILE A 52 -6.778 -3.038 -19.220 1.00 1.00 C ATOM 843 CG2 ILE A 52 -9.004 -3.056 -20.401 1.00 1.00 C ATOM 844 CD1 ILE A 52 -5.462 -3.125 -19.962 1.00 1.00 C ATOM 0 H ILE A 52 -7.104 -6.318 -19.538 1.00 1.00 H new ATOM 0 HA ILE A 52 -8.220 -4.416 -17.748 1.00 1.00 H new ATOM 0 HB ILE A 52 -7.466 -4.516 -20.622 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -7.117 -2.002 -19.221 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -6.617 -3.320 -18.179 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -8.592 -2.392 -21.161 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -9.757 -3.702 -20.852 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -9.462 -2.462 -19.610 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -4.732 -2.471 -19.486 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -5.099 -4.152 -19.939 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -5.607 -2.814 -20.997 1.00 1.00 H new ATOM 856 N SER A 53 -10.332 -6.105 -19.620 1.00 1.00 N ATOM 857 CA SER A 53 -11.766 -6.441 -19.859 1.00 1.00 C ATOM 858 C SER A 53 -12.540 -6.856 -18.585 1.00 1.00 C ATOM 859 O SER A 53 -13.717 -6.509 -18.433 1.00 1.00 O ATOM 860 CB SER A 53 -11.928 -7.497 -20.897 1.00 1.00 C ATOM 861 OG SER A 53 -11.633 -6.992 -22.174 1.00 1.00 O ATOM 0 H SER A 53 -9.677 -6.700 -20.127 1.00 1.00 H new ATOM 0 HA SER A 53 -12.203 -5.508 -20.215 1.00 1.00 H new ATOM 0 HB2 SER A 53 -11.271 -8.337 -20.673 1.00 1.00 H new ATOM 0 HB3 SER A 53 -12.949 -7.877 -20.879 1.00 1.00 H new ATOM 0 HG SER A 53 -10.661 -6.963 -22.298 1.00 1.00 H new ATOM 867 N LYS A 54 -11.767 -7.473 -17.608 1.00 1.00 N ATOM 868 CA LYS A 54 -12.306 -7.930 -16.316 1.00 1.00 C ATOM 869 C LYS A 54 -12.612 -6.790 -15.346 1.00 1.00 C ATOM 870 O LYS A 54 -13.608 -6.835 -14.622 1.00 1.00 O ATOM 871 CB LYS A 54 -11.392 -8.938 -15.679 1.00 1.00 C ATOM 872 CG LYS A 54 -11.710 -10.362 -16.047 1.00 1.00 C ATOM 873 CD LYS A 54 -10.742 -11.317 -15.379 1.00 1.00 C ATOM 874 CE LYS A 54 -11.066 -12.760 -15.722 1.00 1.00 C ATOM 875 NZ LYS A 54 -10.314 -13.235 -16.918 1.00 1.00 N ATOM 0 H LYS A 54 -10.769 -7.652 -17.720 1.00 1.00 H new ATOM 0 HA LYS A 54 -13.261 -8.406 -16.540 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -10.365 -8.718 -15.969 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -11.447 -8.831 -14.596 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -12.730 -10.601 -15.747 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -11.660 -10.483 -17.129 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -9.724 -11.086 -15.694 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -10.780 -11.180 -14.298 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -10.830 -13.397 -14.869 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -12.136 -12.857 -15.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -10.566 -14.224 -17.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -10.558 -12.645 -17.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -9.292 -13.168 -16.735 1.00 1.00 H new ATOM 889 N ILE A 55 -11.754 -5.736 -15.432 1.00 1.00 N ATOM 890 CA ILE A 55 -11.863 -4.533 -14.591 1.00 1.00 C ATOM 891 C ILE A 55 -12.826 -3.533 -15.188 1.00 1.00 C ATOM 892 O ILE A 55 -13.603 -2.934 -14.427 1.00 1.00 O ATOM 893 CB ILE A 55 -10.487 -3.868 -14.274 1.00 1.00 C ATOM 894 CG1 ILE A 55 -9.454 -4.918 -13.805 1.00 1.00 C ATOM 895 CG2 ILE A 55 -10.650 -2.770 -13.194 1.00 1.00 C ATOM 896 CD1 ILE A 55 -8.100 -4.769 -14.459 1.00 1.00 C ATOM 0 H ILE A 55 -10.973 -5.706 -16.087 1.00 1.00 H new ATOM 0 HA ILE A 55 -12.262 -4.872 -13.635 1.00 1.00 H new ATOM 0 HB ILE A 55 -10.120 -3.411 -15.193 1.00 1.00 H new ATOM 0 HG12 ILE A 55 -9.336 -4.842 -12.724 1.00 1.00 H new ATOM 0 HG13 ILE A 55 -9.841 -5.915 -14.014 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -9.680 -2.318 -12.986 1.00 1.00 H new ATOM 0 HG22 ILE A 55 -11.338 -2.005 -13.554 1.00 1.00 H new ATOM 0 HG23 ILE A 55 -11.047 -3.214 -12.281 1.00 1.00 H new ATOM 0 HD11 ILE A 55 -7.427 -5.539 -14.082 1.00 1.00 H new ATOM 0 HD12 ILE A 55 -8.204 -4.875 -15.539 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -7.691 -3.785 -14.229 1.00 1.00 H new ATOM 908 N ALA A 56 -12.751 -3.372 -16.568 1.00 1.00 N ATOM 909 CA ALA A 56 -13.625 -2.442 -17.301 1.00 1.00 C ATOM 910 C ALA A 56 -15.168 -2.729 -17.137 1.00 1.00 C ATOM 911 O ALA A 56 -15.962 -1.859 -17.380 1.00 1.00 O ATOM 912 CB ALA A 56 -13.205 -2.412 -18.753 1.00 1.00 C ATOM 0 H ALA A 56 -12.094 -3.880 -17.160 1.00 1.00 H new ATOM 0 HA ALA A 56 -13.493 -1.456 -16.856 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -13.848 -1.725 -19.304 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -12.170 -2.078 -18.826 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -13.294 -3.412 -19.178 1.00 1.00 H new ATOM 918 N LYS A 57 -15.466 -4.063 -16.840 1.00 1.00 N ATOM 919 CA LYS A 57 -16.840 -4.550 -16.649 1.00 1.00 C ATOM 920 C LYS A 57 -17.362 -4.400 -15.159 1.00 1.00 C ATOM 921 O LYS A 57 -18.562 -4.152 -14.979 1.00 1.00 O ATOM 922 CB LYS A 57 -16.932 -5.915 -17.161 1.00 1.00 C ATOM 923 CG LYS A 57 -17.541 -5.976 -18.536 1.00 1.00 C ATOM 924 CD LYS A 57 -16.691 -6.808 -19.482 1.00 1.00 C ATOM 925 CE LYS A 57 -17.469 -7.992 -20.036 1.00 1.00 C ATOM 926 NZ LYS A 57 -16.872 -8.506 -21.293 1.00 1.00 N ATOM 0 H LYS A 57 -14.754 -4.786 -16.736 1.00 1.00 H new ATOM 0 HA LYS A 57 -17.517 -3.916 -17.222 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -15.936 -6.357 -17.189 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -17.529 -6.517 -16.476 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.542 -6.402 -18.474 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.648 -4.967 -18.933 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -16.343 -6.183 -20.305 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -15.806 -7.167 -18.957 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -17.494 -8.789 -19.293 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.501 -7.694 -20.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.431 -9.312 -21.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -16.871 -7.753 -22.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -15.895 -8.814 -21.113 1.00 1.00 H new ATOM 940 N ARG A 58 -16.403 -4.563 -14.239 1.00 1.00 N ATOM 941 CA ARG A 58 -16.634 -4.287 -12.767 1.00 1.00 C ATOM 942 C ARG A 58 -16.688 -2.748 -12.510 1.00 1.00 C ATOM 943 O ARG A 58 -17.279 -2.286 -11.541 1.00 1.00 O ATOM 944 CB ARG A 58 -15.614 -4.918 -11.923 1.00 1.00 C ATOM 945 CG ARG A 58 -16.056 -6.214 -11.349 1.00 1.00 C ATOM 946 CD ARG A 58 -14.963 -6.775 -10.562 1.00 1.00 C ATOM 947 NE ARG A 58 -15.327 -8.024 -9.918 1.00 1.00 N ATOM 948 CZ ARG A 58 -14.436 -8.763 -9.256 1.00 1.00 C ATOM 949 NH1 ARG A 58 -13.374 -8.187 -8.695 1.00 1.00 N ATOM 950 NH2 ARG A 58 -14.626 -10.042 -9.146 1.00 1.00 N ATOM 0 H ARG A 58 -15.459 -4.881 -14.459 1.00 1.00 H new ATOM 0 HA ARG A 58 -17.593 -4.727 -12.494 1.00 1.00 H new ATOM 0 HB2 ARG A 58 -14.711 -5.077 -12.512 1.00 1.00 H new ATOM 0 HB3 ARG A 58 -15.350 -4.239 -11.112 1.00 1.00 H new ATOM 0 HG2 ARG A 58 -16.937 -6.069 -10.723 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -16.340 -6.902 -12.145 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -14.101 -6.941 -11.209 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -14.658 -6.054 -9.804 1.00 1.00 H new ATOM 0 HE ARG A 58 -16.293 -8.346 -9.974 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -13.241 -7.179 -8.771 1.00 1.00 H new ATOM 0 HH12 ARG A 58 -12.694 -8.754 -8.189 1.00 1.00 H new ATOM 0 HH21 ARG A 58 -15.451 -10.473 -9.564 1.00 1.00 H new ATOM 0 HH22 ARG A 58 -13.951 -10.616 -8.642 1.00 1.00 H new ATOM 964 N GLU A 59 -16.118 -1.992 -13.523 1.00 1.00 N ATOM 965 CA GLU A 59 -16.123 -0.519 -13.525 1.00 1.00 C ATOM 966 C GLU A 59 -17.380 0.076 -14.206 1.00 1.00 C ATOM 967 O GLU A 59 -17.510 1.315 -14.353 1.00 1.00 O ATOM 968 CB GLU A 59 -14.850 0.005 -14.148 1.00 1.00 C ATOM 969 CG GLU A 59 -14.044 0.875 -13.208 1.00 1.00 C ATOM 970 CD GLU A 59 -13.332 1.991 -13.943 1.00 1.00 C ATOM 971 OE1 GLU A 59 -12.189 1.766 -14.403 1.00 1.00 O ATOM 972 OE2 GLU A 59 -13.911 3.093 -14.058 1.00 1.00 O ATOM 0 H GLU A 59 -15.657 -2.402 -14.335 1.00 1.00 H new ATOM 0 HA GLU A 59 -16.165 -0.191 -12.486 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -14.237 -0.837 -14.470 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -15.099 0.578 -15.041 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.704 1.301 -12.452 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.312 0.261 -12.683 1.00 1.00 H new ATOM 979 N GLY A 60 -18.333 -0.858 -14.601 1.00 1.00 N ATOM 980 CA GLY A 60 -19.581 -0.472 -15.277 1.00 1.00 C ATOM 981 C GLY A 60 -19.394 0.161 -16.644 1.00 1.00 C ATOM 982 O GLY A 60 -20.085 1.139 -16.952 1.00 1.00 O ATOM 0 H GLY A 60 -18.234 -1.862 -14.452 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -20.208 -1.357 -15.384 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -20.122 0.227 -14.639 1.00 1.00 H new ATOM 986 N MET A 61 -18.276 -0.236 -17.352 1.00 1.00 N ATOM 987 CA MET A 61 -17.929 0.283 -18.661 1.00 1.00 C ATOM 988 C MET A 61 -18.042 -0.833 -19.700 1.00 1.00 C ATOM 989 O MET A 61 -17.789 -2.023 -19.402 1.00 1.00 O ATOM 990 CB MET A 61 -16.551 0.936 -18.644 1.00 1.00 C ATOM 991 CG MET A 61 -16.585 2.423 -18.323 1.00 1.00 C ATOM 992 SD MET A 61 -15.183 3.295 -19.030 1.00 1.00 S ATOM 993 CE MET A 61 -14.131 3.500 -17.590 1.00 1.00 C ATOM 0 H MET A 61 -17.613 -0.927 -17.000 1.00 1.00 H new ATOM 0 HA MET A 61 -18.632 1.068 -18.940 1.00 1.00 H new ATOM 0 HB2 MET A 61 -15.927 0.428 -17.909 1.00 1.00 H new ATOM 0 HB3 MET A 61 -16.079 0.793 -19.616 1.00 1.00 H new ATOM 0 HG2 MET A 61 -17.510 2.855 -18.704 1.00 1.00 H new ATOM 0 HG3 MET A 61 -16.590 2.561 -17.242 1.00 1.00 H new ATOM 0 HE1 MET A 61 -13.221 4.027 -17.876 1.00 1.00 H new ATOM 0 HE2 MET A 61 -14.661 4.077 -16.832 1.00 1.00 H new ATOM 0 HE3 MET A 61 -13.872 2.521 -17.186 1.00 1.00 H new ATOM 1003 N VAL A 62 -18.369 -0.427 -20.922 1.00 1.00 N ATOM 1004 CA VAL A 62 -18.562 -1.352 -22.042 1.00 1.00 C ATOM 1005 C VAL A 62 -17.521 -1.128 -23.124 1.00 1.00 C ATOM 1006 O VAL A 62 -17.387 0.019 -23.624 1.00 1.00 O ATOM 1007 CB VAL A 62 -20.019 -1.261 -22.644 1.00 1.00 C ATOM 1008 CG1 VAL A 62 -20.931 -2.287 -21.984 1.00 1.00 C ATOM 1009 CG2 VAL A 62 -20.620 0.161 -22.510 1.00 1.00 C ATOM 0 H VAL A 62 -18.509 0.553 -21.168 1.00 1.00 H new ATOM 0 HA VAL A 62 -18.435 -2.359 -21.645 1.00 1.00 H new ATOM 0 HB VAL A 62 -19.943 -1.481 -23.709 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -21.932 -2.212 -22.410 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -20.537 -3.289 -22.157 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -20.978 -2.096 -20.912 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -21.622 0.174 -22.938 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -20.671 0.437 -21.457 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -19.989 0.874 -23.041 1.00 1.00 H new ATOM 1019 N LEU A 63 -16.817 -2.221 -23.478 1.00 1.00 N ATOM 1020 CA LEU A 63 -15.813 -2.186 -24.556 1.00 1.00 C ATOM 1021 C LEU A 63 -16.408 -2.757 -25.844 1.00 1.00 C ATOM 1022 O LEU A 63 -17.046 -3.848 -25.812 1.00 1.00 O ATOM 1023 CB LEU A 63 -14.561 -2.939 -24.154 1.00 1.00 C ATOM 1024 CG LEU A 63 -13.339 -2.078 -23.853 1.00 1.00 C ATOM 1025 CD1 LEU A 63 -12.875 -2.294 -22.423 1.00 1.00 C ATOM 1026 CD2 LEU A 63 -12.221 -2.405 -24.830 1.00 1.00 C ATOM 0 H LEU A 63 -16.925 -3.133 -23.035 1.00 1.00 H new ATOM 0 HA LEU A 63 -15.530 -1.149 -24.735 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -14.787 -3.538 -23.272 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -14.305 -3.634 -24.954 1.00 1.00 H new ATOM 0 HG LEU A 63 -13.612 -1.029 -23.968 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -12.002 -1.672 -22.226 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -13.676 -2.023 -21.736 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -12.613 -3.342 -22.280 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -11.352 -1.786 -24.609 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -11.951 -3.457 -24.735 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -12.558 -2.207 -25.848 1.00 1.00 H new ATOM 1038 N LEU A 64 -16.305 -1.956 -26.929 1.00 1.00 N ATOM 1039 CA LEU A 64 -16.827 -2.362 -28.255 1.00 1.00 C ATOM 1040 C LEU A 64 -15.697 -2.708 -29.206 1.00 1.00 C ATOM 1041 O LEU A 64 -14.719 -1.924 -29.348 1.00 1.00 O ATOM 1042 CB LEU A 64 -17.719 -1.292 -28.860 1.00 1.00 C ATOM 1043 CG LEU A 64 -19.182 -1.322 -28.422 1.00 1.00 C ATOM 1044 CD1 LEU A 64 -19.573 0.007 -27.802 1.00 1.00 C ATOM 1045 CD2 LEU A 64 -20.079 -1.649 -29.607 1.00 1.00 C ATOM 0 H LEU A 64 -15.870 -1.034 -26.914 1.00 1.00 H new ATOM 0 HA LEU A 64 -17.433 -3.254 -28.100 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -17.304 -0.316 -28.610 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -17.682 -1.386 -29.945 1.00 1.00 H new ATOM 0 HG LEU A 64 -19.309 -2.101 -27.670 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -20.618 -0.028 -27.494 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -18.945 0.202 -26.932 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -19.437 0.804 -28.533 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -21.119 -1.667 -29.282 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -19.954 -0.890 -30.379 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -19.808 -2.625 -30.010 1.00 1.00 H new ATOM 1057 N ILE A 65 -15.821 -3.899 -29.821 1.00 1.00 N ATOM 1058 CA ILE A 65 -14.794 -4.411 -30.758 1.00 1.00 C ATOM 1059 C ILE A 65 -15.417 -4.473 -32.147 1.00 1.00 C ATOM 1060 O ILE A 65 -16.521 -5.033 -32.315 1.00 1.00 O ATOM 1061 CB ILE A 65 -14.190 -5.803 -30.317 1.00 1.00 C ATOM 1062 CG1 ILE A 65 -14.015 -5.886 -28.781 1.00 1.00 C ATOM 1063 CG2 ILE A 65 -12.832 -6.047 -30.993 1.00 1.00 C ATOM 1064 CD1 ILE A 65 -14.900 -6.920 -28.127 1.00 1.00 C ATOM 0 H ILE A 65 -16.616 -4.524 -29.689 1.00 1.00 H new ATOM 0 HA ILE A 65 -13.943 -3.730 -30.758 1.00 1.00 H new ATOM 0 HB ILE A 65 -14.897 -6.571 -30.631 1.00 1.00 H new ATOM 0 HG12 ILE A 65 -12.974 -6.115 -28.554 1.00 1.00 H new ATOM 0 HG13 ILE A 65 -14.229 -4.910 -28.346 1.00 1.00 H new ATOM 0 HG21 ILE A 65 -12.435 -7.011 -30.675 1.00 1.00 H new ATOM 0 HG22 ILE A 65 -12.959 -6.046 -32.076 1.00 1.00 H new ATOM 0 HG23 ILE A 65 -12.137 -5.257 -30.709 1.00 1.00 H new ATOM 0 HD11 ILE A 65 -14.724 -6.922 -27.051 1.00 1.00 H new ATOM 0 HD12 ILE A 65 -15.945 -6.681 -28.323 1.00 1.00 H new ATOM 0 HD13 ILE A 65 -14.671 -7.905 -28.534 1.00 1.00 H new ATOM 1076 N LYS A 66 -14.656 -3.891 -33.137 1.00 1.00 N ATOM 1077 CA LYS A 66 -15.056 -3.877 -34.525 1.00 1.00 C ATOM 1078 C LYS A 66 -14.743 -5.232 -35.202 1.00 1.00 C ATOM 1079 O LYS A 66 -13.653 -5.821 -34.980 1.00 1.00 O ATOM 1080 CB LYS A 66 -14.461 -2.757 -35.295 1.00 1.00 C ATOM 1081 CG LYS A 66 -15.386 -1.576 -35.386 1.00 1.00 C ATOM 1082 CD LYS A 66 -15.562 -1.149 -36.821 1.00 1.00 C ATOM 1083 CE LYS A 66 -15.623 0.357 -36.932 1.00 1.00 C ATOM 1084 NZ LYS A 66 -16.980 0.824 -37.321 1.00 1.00 N ATOM 0 H LYS A 66 -13.762 -3.432 -32.961 1.00 1.00 H new ATOM 0 HA LYS A 66 -16.134 -3.717 -34.530 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -13.528 -2.450 -34.823 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -14.213 -3.100 -36.299 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -16.354 -1.832 -34.956 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -14.986 -0.748 -34.801 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -14.735 -1.529 -37.422 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -16.476 -1.585 -37.225 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -15.344 0.804 -35.978 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -14.896 0.698 -37.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -16.984 1.862 -37.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -17.236 0.417 -38.243 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -17.670 0.520 -36.605 1.00 1.00 H new ATOM 1098 N PRO A 67 -15.735 -5.806 -36.023 1.00 1.00 N ATOM 1099 CA PRO A 67 -15.544 -7.103 -36.700 1.00 1.00 C ATOM 1100 C PRO A 67 -14.489 -7.168 -37.817 1.00 1.00 C ATOM 1101 O PRO A 67 -14.439 -6.334 -38.772 1.00 1.00 O ATOM 1102 CB PRO A 67 -16.918 -7.433 -37.231 1.00 1.00 C ATOM 1103 CG PRO A 67 -17.841 -6.545 -36.470 1.00 1.00 C ATOM 1104 CD PRO A 67 -17.103 -5.291 -36.367 1.00 1.00 C ATOM 0 HA PRO A 67 -15.136 -7.817 -35.985 1.00 1.00 H new ATOM 0 HB2 PRO A 67 -16.983 -7.247 -38.303 1.00 1.00 H new ATOM 0 HB3 PRO A 67 -17.161 -8.484 -37.075 1.00 1.00 H new ATOM 0 HG2 PRO A 67 -18.789 -6.411 -36.991 1.00 1.00 H new ATOM 0 HG3 PRO A 67 -18.073 -6.956 -35.487 1.00 1.00 H new ATOM 0 HD2 PRO A 67 -17.111 -4.727 -37.300 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -17.505 -4.635 -35.595 1.00 1.00 H new ATOM 1112 N ALA A 68 -13.578 -8.159 -37.573 1.00 1.00 N ATOM 1113 CA ALA A 68 -12.485 -8.489 -38.523 1.00 1.00 C ATOM 1114 C ALA A 68 -13.085 -9.046 -39.810 1.00 1.00 C ATOM 1115 O ALA A 68 -14.071 -9.849 -39.776 1.00 1.00 O ATOM 1116 CB ALA A 68 -11.514 -9.439 -37.920 1.00 1.00 C ATOM 0 H ALA A 68 -13.584 -8.735 -36.731 1.00 1.00 H new ATOM 0 HA ALA A 68 -11.932 -7.580 -38.757 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -10.726 -9.661 -38.640 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -11.075 -8.993 -37.028 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -12.028 -10.361 -37.649 1.00 1.00 H new ATOM 1122 N GLN A 69 -12.512 -8.623 -40.942 1.00 1.00 N ATOM 1123 CA GLN A 69 -13.048 -8.946 -42.244 1.00 1.00 C ATOM 1124 C GLN A 69 -11.959 -9.348 -43.216 1.00 1.00 C ATOM 1125 O GLN A 69 -10.808 -8.908 -43.107 1.00 1.00 O ATOM 1126 CB GLN A 69 -13.866 -7.699 -42.772 1.00 1.00 C ATOM 1127 CG GLN A 69 -15.152 -8.080 -43.501 1.00 1.00 C ATOM 1128 CD GLN A 69 -15.961 -6.894 -43.955 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -16.745 -6.352 -43.187 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -15.839 -6.525 -45.219 1.00 1.00 N ATOM 0 H GLN A 69 -11.668 -8.051 -40.969 1.00 1.00 H new ATOM 0 HA GLN A 69 -13.710 -9.808 -42.158 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -14.113 -7.053 -41.929 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -13.235 -7.118 -43.445 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -14.901 -8.691 -44.368 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -15.764 -8.696 -42.843 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -15.174 -7.002 -45.828 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -16.410 -5.763 -45.585 1.00 1.00 H new ATOM 1139 N CYS A 70 -12.366 -10.247 -44.186 1.00 1.00 N ATOM 1140 CA CYS A 70 -11.487 -10.673 -45.309 1.00 1.00 C ATOM 1141 C CYS A 70 -11.690 -9.632 -46.416 1.00 1.00 C ATOM 1142 O CYS A 70 -12.844 -9.443 -46.922 1.00 1.00 O ATOM 1143 CB CYS A 70 -11.790 -12.073 -45.785 1.00 1.00 C ATOM 1144 SG CYS A 70 -11.728 -13.338 -44.514 1.00 1.00 S ATOM 0 H CYS A 70 -13.291 -10.678 -44.199 1.00 1.00 H new ATOM 0 HA CYS A 70 -10.446 -10.716 -44.990 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -12.783 -12.080 -46.235 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -11.082 -12.334 -46.571 1.00 1.00 H new ATOM 0 HG CYS A 70 -12.930 -13.769 -44.272 1.00 1.00 H new ATOM 1150 N ARG A 71 -10.584 -8.941 -46.782 1.00 1.00 N ATOM 1151 CA ARG A 71 -10.620 -7.844 -47.771 1.00 1.00 C ATOM 1152 C ARG A 71 -10.393 -8.270 -49.226 1.00 1.00 C ATOM 1153 O ARG A 71 -10.530 -7.433 -50.157 1.00 1.00 O ATOM 1154 CB ARG A 71 -9.634 -6.774 -47.373 1.00 1.00 C ATOM 1155 CG ARG A 71 -10.241 -5.657 -46.568 1.00 1.00 C ATOM 1156 CD ARG A 71 -9.333 -4.487 -46.578 1.00 1.00 C ATOM 1157 NE ARG A 71 -9.955 -3.309 -45.973 1.00 1.00 N ATOM 1158 CZ ARG A 71 -9.755 -2.070 -46.446 1.00 1.00 C ATOM 1159 NH1 ARG A 71 -8.617 -1.782 -47.061 1.00 1.00 N ATOM 1160 NH2 ARG A 71 -10.640 -1.138 -46.239 1.00 1.00 N ATOM 0 H ARG A 71 -9.655 -9.127 -46.404 1.00 1.00 H new ATOM 0 HA ARG A 71 -11.640 -7.460 -47.751 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -8.830 -7.231 -46.795 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -9.182 -6.357 -48.273 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -11.210 -5.381 -46.983 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -10.415 -5.986 -45.544 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -8.419 -4.732 -46.038 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -9.046 -4.259 -47.604 1.00 1.00 H new ATOM 0 HE ARG A 71 -10.562 -3.434 -45.163 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -7.901 -2.500 -47.172 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -8.457 -0.842 -47.424 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -11.490 -1.349 -45.715 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -10.484 -0.197 -46.600 1.00 1.00 H new ATOM 1174 N LYS A 72 -10.148 -9.592 -49.429 1.00 1.00 N ATOM 1175 CA LYS A 72 -9.882 -10.177 -50.744 1.00 1.00 C ATOM 1176 C LYS A 72 -11.109 -10.814 -51.392 1.00 1.00 C ATOM 1177 O LYS A 72 -11.440 -10.481 -52.543 1.00 1.00 O ATOM 1178 CB LYS A 72 -8.759 -11.194 -50.641 1.00 1.00 C ATOM 1179 CG LYS A 72 -7.455 -10.721 -51.211 1.00 1.00 C ATOM 1180 CD LYS A 72 -6.364 -11.745 -50.983 1.00 1.00 C ATOM 1181 CE LYS A 72 -5.056 -11.299 -51.609 1.00 1.00 C ATOM 1182 NZ LYS A 72 -4.147 -12.449 -51.860 1.00 1.00 N ATOM 0 H LYS A 72 -10.132 -10.275 -48.671 1.00 1.00 H new ATOM 0 HA LYS A 72 -9.587 -9.353 -51.394 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.613 -11.454 -49.593 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -9.060 -12.106 -51.157 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.567 -10.534 -52.279 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -7.173 -9.775 -50.749 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -6.224 -11.900 -49.913 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -6.666 -12.703 -51.407 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -5.259 -10.784 -52.548 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.564 -10.582 -50.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -3.263 -12.106 -52.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.934 -12.926 -50.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -4.607 -13.121 -52.507 1.00 1.00 H new ATOM 1196 N CYS A 73 -11.833 -11.626 -50.569 1.00 1.00 N ATOM 1197 CA CYS A 73 -13.044 -12.312 -51.030 1.00 1.00 C ATOM 1198 C CYS A 73 -14.331 -11.567 -50.690 1.00 1.00 C ATOM 1199 O CYS A 73 -15.373 -11.775 -51.350 1.00 1.00 O ATOM 1200 CB CYS A 73 -13.087 -13.731 -50.448 1.00 1.00 C ATOM 1201 SG CYS A 73 -12.789 -13.834 -48.651 1.00 1.00 S ATOM 0 H CYS A 73 -11.590 -11.811 -49.596 1.00 1.00 H new ATOM 0 HA CYS A 73 -12.990 -12.349 -52.118 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -14.062 -14.168 -50.665 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -12.343 -14.341 -50.960 1.00 1.00 H new ATOM 0 HG CYS A 73 -12.851 -15.076 -48.271 1.00 1.00 H new ATOM 1207 N GLY A 74 -14.227 -10.663 -49.650 1.00 1.00 N ATOM 1208 CA GLY A 74 -15.370 -9.900 -49.172 1.00 1.00 C ATOM 1209 C GLY A 74 -16.040 -10.507 -47.981 1.00 1.00 C ATOM 1210 O GLY A 74 -16.802 -9.811 -47.299 1.00 1.00 O ATOM 0 H GLY A 74 -13.358 -10.470 -49.153 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -15.043 -8.891 -48.919 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -16.097 -9.807 -49.979 1.00 1.00 H new ATOM 1214 N PHE A 75 -15.759 -11.862 -47.762 1.00 1.00 N ATOM 1215 CA PHE A 75 -16.299 -12.627 -46.629 1.00 1.00 C ATOM 1216 C PHE A 75 -16.020 -11.947 -45.270 1.00 1.00 C ATOM 1217 O PHE A 75 -14.885 -11.467 -45.034 1.00 1.00 O ATOM 1218 CB PHE A 75 -15.740 -14.055 -46.616 1.00 1.00 C ATOM 1219 CG PHE A 75 -16.734 -15.120 -46.159 1.00 1.00 C ATOM 1220 CD1 PHE A 75 -17.744 -15.562 -47.008 1.00 1.00 C ATOM 1221 CD2 PHE A 75 -16.644 -15.647 -44.880 1.00 1.00 C ATOM 1222 CE1 PHE A 75 -18.635 -16.497 -46.598 1.00 1.00 C ATOM 1223 CE2 PHE A 75 -17.541 -16.589 -44.464 1.00 1.00 C ATOM 1224 CZ PHE A 75 -18.539 -17.019 -45.324 1.00 1.00 C ATOM 0 H PHE A 75 -15.158 -12.412 -48.376 1.00 1.00 H new ATOM 0 HA PHE A 75 -17.380 -12.662 -46.768 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -15.394 -14.305 -47.619 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -14.869 -14.085 -45.962 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -17.819 -15.155 -48.006 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -15.864 -15.312 -44.212 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -19.416 -16.832 -47.265 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -17.473 -16.998 -43.467 1.00 1.00 H new ATOM 0 HZ PHE A 75 -19.246 -17.767 -44.995 1.00 1.00 H new ATOM 1234 N VAL A 76 -17.075 -11.903 -44.453 1.00 1.00 N ATOM 1235 CA VAL A 76 -17.018 -11.205 -43.177 1.00 1.00 C ATOM 1236 C VAL A 76 -16.909 -12.210 -42.058 1.00 1.00 C ATOM 1237 O VAL A 76 -17.697 -13.177 -41.992 1.00 1.00 O ATOM 1238 CB VAL A 76 -18.248 -10.243 -42.943 1.00 1.00 C ATOM 1239 CG1 VAL A 76 -18.032 -9.337 -41.717 1.00 1.00 C ATOM 1240 CG2 VAL A 76 -18.544 -9.387 -44.175 1.00 1.00 C ATOM 0 H VAL A 76 -17.973 -12.342 -44.656 1.00 1.00 H new ATOM 0 HA VAL A 76 -16.133 -10.568 -43.193 1.00 1.00 H new ATOM 0 HB VAL A 76 -19.110 -10.883 -42.756 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -18.898 -8.689 -41.587 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -17.903 -9.953 -40.827 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -17.142 -8.727 -41.868 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -19.397 -8.740 -43.972 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -17.673 -8.776 -44.411 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -18.773 -10.034 -45.021 1.00 1.00 H new ATOM 1250 N PHE A 77 -15.893 -11.967 -41.201 1.00 1.00 N ATOM 1251 CA PHE A 77 -15.697 -12.795 -40.023 1.00 1.00 C ATOM 1252 C PHE A 77 -16.257 -12.137 -38.785 1.00 1.00 C ATOM 1253 O PHE A 77 -16.272 -10.886 -38.698 1.00 1.00 O ATOM 1254 CB PHE A 77 -14.199 -13.115 -39.839 1.00 1.00 C ATOM 1255 CG PHE A 77 -13.771 -14.440 -40.434 1.00 1.00 C ATOM 1256 CD1 PHE A 77 -13.397 -14.528 -41.771 1.00 1.00 C ATOM 1257 CD2 PHE A 77 -13.749 -15.594 -39.649 1.00 1.00 C ATOM 1258 CE1 PHE A 77 -13.021 -15.721 -42.309 1.00 1.00 C ATOM 1259 CE2 PHE A 77 -13.372 -16.791 -40.190 1.00 1.00 C ATOM 1260 CZ PHE A 77 -13.006 -16.856 -41.519 1.00 1.00 C ATOM 0 H PHE A 77 -15.214 -11.214 -41.312 1.00 1.00 H new ATOM 0 HA PHE A 77 -16.241 -13.728 -40.173 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -13.610 -12.318 -40.293 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -13.967 -13.116 -38.774 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -13.405 -13.642 -42.388 1.00 1.00 H new ATOM 0 HD2 PHE A 77 -14.032 -15.541 -38.608 1.00 1.00 H new ATOM 0 HE1 PHE A 77 -12.736 -15.781 -43.349 1.00 1.00 H new ATOM 0 HE2 PHE A 77 -13.361 -17.682 -39.580 1.00 1.00 H new ATOM 0 HZ PHE A 77 -12.705 -17.801 -41.946 1.00 1.00 H new ATOM 1270 N LYS A 78 -16.729 -12.993 -37.837 1.00 1.00 N ATOM 1271 CA LYS A 78 -17.274 -12.516 -36.533 1.00 1.00 C ATOM 1272 C LYS A 78 -16.164 -11.824 -35.717 1.00 1.00 C ATOM 1273 O LYS A 78 -14.952 -12.174 -35.914 1.00 1.00 O ATOM 1274 CB LYS A 78 -17.875 -13.658 -35.748 1.00 1.00 C ATOM 1275 CG LYS A 78 -19.370 -13.779 -35.927 1.00 1.00 C ATOM 1276 CD LYS A 78 -20.060 -13.971 -34.590 1.00 1.00 C ATOM 1277 CE LYS A 78 -21.530 -13.589 -34.661 1.00 1.00 C ATOM 1278 NZ LYS A 78 -22.161 -13.554 -33.312 1.00 1.00 N ATOM 0 H LYS A 78 -16.744 -14.007 -37.949 1.00 1.00 H new ATOM 0 HA LYS A 78 -18.066 -11.794 -36.734 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -17.402 -14.591 -36.055 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.652 -13.521 -34.690 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.756 -12.884 -36.415 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -19.595 -14.621 -36.582 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -19.968 -15.011 -34.278 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -19.562 -13.366 -33.832 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -21.629 -12.612 -35.133 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -22.060 -14.303 -35.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -23.163 -13.290 -33.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -22.090 -14.493 -32.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -21.672 -12.855 -32.718 1.00 1.00 H new ATOM 1292 N ALA A 79 -16.556 -10.811 -34.874 1.00 1.00 N ATOM 1293 CA ALA A 79 -15.612 -10.019 -34.035 1.00 1.00 C ATOM 1294 C ALA A 79 -14.877 -10.935 -33.051 1.00 1.00 C ATOM 1295 O ALA A 79 -15.492 -11.799 -32.372 1.00 1.00 O ATOM 1296 CB ALA A 79 -16.325 -8.938 -33.329 1.00 1.00 C ATOM 0 H ALA A 79 -17.530 -10.529 -34.764 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.869 -9.557 -34.686 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.618 -8.372 -32.722 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -16.792 -8.274 -34.057 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.093 -9.368 -32.686 1.00 1.00 H new ATOM 1302 N GLU A 80 -13.541 -10.816 -33.079 1.00 1.00 N ATOM 1303 CA GLU A 80 -12.604 -11.716 -32.370 1.00 1.00 C ATOM 1304 C GLU A 80 -11.436 -10.920 -31.741 1.00 1.00 C ATOM 1305 O GLU A 80 -11.390 -9.695 -31.871 1.00 1.00 O ATOM 1306 CB GLU A 80 -12.056 -12.822 -33.367 1.00 1.00 C ATOM 1307 CG GLU A 80 -11.828 -12.315 -34.806 1.00 1.00 C ATOM 1308 CD GLU A 80 -11.700 -13.399 -35.788 1.00 1.00 C ATOM 1309 OE1 GLU A 80 -10.574 -13.856 -35.983 1.00 1.00 O ATOM 1310 OE2 GLU A 80 -12.738 -13.800 -36.347 1.00 1.00 O ATOM 0 H GLU A 80 -13.068 -10.080 -33.603 1.00 1.00 H new ATOM 0 HA GLU A 80 -13.144 -12.208 -31.561 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -11.116 -13.213 -32.978 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.761 -13.653 -33.393 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -12.658 -11.670 -35.093 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.926 -11.703 -34.830 1.00 1.00 H new ATOM 1317 N ILE A 81 -10.712 -11.637 -30.882 1.00 1.00 N ATOM 1318 CA ILE A 81 -9.546 -11.077 -30.180 1.00 1.00 C ATOM 1319 C ILE A 81 -8.227 -11.609 -30.845 1.00 1.00 C ATOM 1320 O ILE A 81 -7.514 -10.821 -31.487 1.00 1.00 O ATOM 1321 CB ILE A 81 -9.648 -11.331 -28.650 1.00 1.00 C ATOM 1322 CG1 ILE A 81 -10.471 -12.631 -28.361 1.00 1.00 C ATOM 1323 CG2 ILE A 81 -10.254 -10.122 -27.988 1.00 1.00 C ATOM 1324 CD1 ILE A 81 -9.717 -13.659 -27.583 1.00 1.00 C ATOM 0 H ILE A 81 -10.909 -12.611 -30.652 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.524 -9.992 -30.283 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.653 -11.488 -28.234 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.374 -12.364 -27.813 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.790 -13.067 -29.308 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.328 -10.294 -26.914 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.624 -9.252 -28.173 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.249 -9.944 -28.397 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.351 -14.531 -27.421 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.827 -13.956 -28.139 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -9.421 -13.242 -26.620 1.00 1.00 H new ATOM 1336 N ASN A 82 -7.863 -12.890 -30.457 1.00 1.00 N ATOM 1337 CA ASN A 82 -6.719 -13.617 -31.066 1.00 1.00 C ATOM 1338 C ASN A 82 -7.036 -13.783 -32.587 1.00 1.00 C ATOM 1339 O ASN A 82 -8.242 -13.979 -32.957 1.00 1.00 O ATOM 1340 CB ASN A 82 -6.497 -14.952 -30.394 1.00 1.00 C ATOM 1341 CG ASN A 82 -5.369 -14.922 -29.402 1.00 1.00 C ATOM 1342 OD1 ASN A 82 -5.581 -14.673 -28.218 1.00 1.00 O ATOM 1343 ND2 ASN A 82 -4.173 -15.235 -29.872 1.00 1.00 N ATOM 0 H ASN A 82 -8.351 -13.418 -29.733 1.00 1.00 H new ATOM 0 HA ASN A 82 -5.794 -13.056 -30.933 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -7.413 -15.256 -29.887 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -6.288 -15.706 -31.153 1.00 1.00 H new ATOM 0 HD21 ASN A 82 -3.373 -15.278 -29.241 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -4.051 -15.433 -30.865 1.00 1.00 H new ATOM 1350 N ILE A 83 -5.994 -13.698 -33.413 1.00 1.00 N ATOM 1351 CA ILE A 83 -6.115 -13.748 -34.855 1.00 1.00 C ATOM 1352 C ILE A 83 -5.657 -15.128 -35.380 1.00 1.00 C ATOM 1353 O ILE A 83 -4.581 -15.583 -35.011 1.00 1.00 O ATOM 1354 CB ILE A 83 -5.332 -12.595 -35.571 1.00 1.00 C ATOM 1355 CG1 ILE A 83 -5.711 -11.240 -34.958 1.00 1.00 C ATOM 1356 CG2 ILE A 83 -5.559 -12.573 -37.106 1.00 1.00 C ATOM 1357 CD1 ILE A 83 -4.522 -10.501 -34.402 1.00 1.00 C ATOM 0 H ILE A 83 -5.033 -13.591 -33.087 1.00 1.00 H new ATOM 0 HA ILE A 83 -7.168 -13.602 -35.094 1.00 1.00 H new ATOM 0 HB ILE A 83 -4.271 -12.787 -35.413 1.00 1.00 H new ATOM 0 HG12 ILE A 83 -6.194 -10.625 -35.717 1.00 1.00 H new ATOM 0 HG13 ILE A 83 -6.441 -11.397 -34.163 1.00 1.00 H new ATOM 0 HG21 ILE A 83 -4.991 -11.753 -37.546 1.00 1.00 H new ATOM 0 HG22 ILE A 83 -5.226 -13.517 -37.537 1.00 1.00 H new ATOM 0 HG23 ILE A 83 -6.620 -12.433 -37.315 1.00 1.00 H new ATOM 0 HD11 ILE A 83 -4.849 -9.550 -33.981 1.00 1.00 H new ATOM 0 HD12 ILE A 83 -4.053 -11.101 -33.622 1.00 1.00 H new ATOM 0 HD13 ILE A 83 -3.802 -10.317 -35.200 1.00 1.00 H new ATOM 1369 N PRO A 84 -6.466 -15.754 -36.360 1.00 1.00 N ATOM 1370 CA PRO A 84 -6.052 -16.997 -37.044 1.00 1.00 C ATOM 1371 C PRO A 84 -4.938 -16.800 -38.115 1.00 1.00 C ATOM 1372 O PRO A 84 -4.811 -15.690 -38.713 1.00 1.00 O ATOM 1373 CB PRO A 84 -7.348 -17.503 -37.649 1.00 1.00 C ATOM 1374 CG PRO A 84 -8.434 -16.774 -36.933 1.00 1.00 C ATOM 1375 CD PRO A 84 -7.893 -15.428 -36.771 1.00 1.00 C ATOM 0 HA PRO A 84 -5.587 -17.700 -36.353 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -7.384 -17.306 -38.721 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -7.447 -18.581 -37.519 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -9.360 -16.768 -37.508 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -8.660 -17.234 -35.971 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -7.937 -14.849 -37.693 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -8.424 -14.856 -36.010 1.00 1.00 H new ATOM 1383 N SER A 85 -4.161 -17.881 -38.307 1.00 1.00 N ATOM 1384 CA SER A 85 -3.077 -17.926 -39.305 1.00 1.00 C ATOM 1385 C SER A 85 -3.577 -18.389 -40.688 1.00 1.00 C ATOM 1386 O SER A 85 -2.967 -18.050 -41.720 1.00 1.00 O ATOM 1387 CB SER A 85 -1.945 -18.809 -38.825 1.00 1.00 C ATOM 1388 OG SER A 85 -1.302 -18.235 -37.709 1.00 1.00 O ATOM 0 H SER A 85 -4.266 -18.746 -37.776 1.00 1.00 H new ATOM 0 HA SER A 85 -2.705 -16.908 -39.421 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.332 -19.793 -38.561 1.00 1.00 H new ATOM 0 HB3 SER A 85 -1.225 -18.955 -39.630 1.00 1.00 H new ATOM 0 HG SER A 85 -0.575 -18.822 -37.413 1.00 1.00 H new ATOM 1394 N ARG A 86 -4.716 -19.162 -40.683 1.00 1.00 N ATOM 1395 CA ARG A 86 -5.343 -19.680 -41.888 1.00 1.00 C ATOM 1396 C ARG A 86 -6.827 -19.672 -41.744 1.00 1.00 C ATOM 1397 O ARG A 86 -7.379 -20.016 -40.657 1.00 1.00 O ATOM 1398 CB ARG A 86 -4.806 -21.103 -42.223 1.00 1.00 C ATOM 1399 CG ARG A 86 -3.594 -21.065 -43.136 1.00 1.00 C ATOM 1400 CD ARG A 86 -3.116 -22.436 -43.398 1.00 1.00 C ATOM 1401 NE ARG A 86 -1.962 -22.477 -44.303 1.00 1.00 N ATOM 1402 CZ ARG A 86 -1.254 -23.605 -44.546 1.00 1.00 C ATOM 1403 NH1 ARG A 86 -1.781 -24.793 -44.292 1.00 1.00 N ATOM 1404 NH2 ARG A 86 -0.051 -23.531 -45.038 1.00 1.00 N ATOM 0 H ARG A 86 -5.202 -19.427 -39.826 1.00 1.00 H new ATOM 0 HA ARG A 86 -5.085 -19.030 -42.724 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -4.544 -21.617 -41.298 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -5.597 -21.684 -42.698 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -3.851 -20.575 -44.075 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -2.800 -20.476 -42.676 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -2.847 -22.908 -42.453 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.928 -23.022 -43.827 1.00 1.00 H new ATOM 0 HE ARG A 86 -1.680 -21.616 -44.771 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -2.725 -24.861 -43.911 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -1.243 -25.640 -44.477 1.00 1.00 H new ATOM 0 HH21 ARG A 86 0.362 -22.621 -45.242 1.00 1.00 H new ATOM 0 HH22 ARG A 86 0.479 -24.383 -45.220 1.00 1.00 H new ATOM 1418 N CYS A 87 -7.530 -19.362 -42.900 1.00 1.00 N ATOM 1419 CA CYS A 87 -8.987 -19.402 -42.982 1.00 1.00 C ATOM 1420 C CYS A 87 -9.512 -20.872 -42.979 1.00 1.00 C ATOM 1421 O CYS A 87 -8.822 -21.752 -43.572 1.00 1.00 O ATOM 1422 CB CYS A 87 -9.524 -18.699 -44.205 1.00 1.00 C ATOM 1423 SG CYS A 87 -11.268 -18.208 -44.107 1.00 1.00 S ATOM 0 H CYS A 87 -7.078 -19.085 -43.771 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.346 -18.875 -42.098 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.922 -17.809 -44.387 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.395 -19.353 -45.067 1.00 1.00 H new ATOM 0 HG CYS A 87 -11.412 -17.301 -43.187 1.00 1.00 H new ATOM 1509 N GLU A 93 -5.134 -14.206 -46.387 1.00 1.00 N ATOM 1510 CA GLU A 93 -3.854 -13.658 -45.838 1.00 1.00 C ATOM 1511 C GLU A 93 -3.934 -12.080 -45.632 1.00 1.00 C ATOM 1512 O GLU A 93 -3.167 -11.532 -44.827 1.00 1.00 O ATOM 1513 CB GLU A 93 -2.709 -14.053 -46.711 1.00 1.00 C ATOM 1514 CG GLU A 93 -1.987 -15.296 -46.239 1.00 1.00 C ATOM 1515 CD GLU A 93 -0.801 -15.626 -47.120 1.00 1.00 C ATOM 1516 OE1 GLU A 93 -0.989 -16.312 -48.147 1.00 1.00 O ATOM 1517 OE2 GLU A 93 0.321 -15.192 -46.782 1.00 1.00 O ATOM 0 HA GLU A 93 -3.688 -14.090 -44.851 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -3.076 -14.219 -47.724 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -1.999 -13.227 -46.760 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -1.649 -15.152 -45.213 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -2.679 -16.138 -46.231 1.00 1.00 H new ATOM 1524 N TRP A 94 -4.906 -11.469 -46.359 1.00 1.00 N ATOM 1525 CA TRP A 94 -5.207 -10.028 -46.251 1.00 1.00 C ATOM 1526 C TRP A 94 -6.505 -9.815 -45.490 1.00 1.00 C ATOM 1527 O TRP A 94 -7.617 -9.857 -46.062 1.00 1.00 O ATOM 1528 CB TRP A 94 -5.256 -9.352 -47.605 1.00 1.00 C ATOM 1529 CG TRP A 94 -4.195 -8.308 -47.803 1.00 1.00 C ATOM 1530 CD1 TRP A 94 -4.306 -6.968 -47.536 1.00 1.00 C ATOM 1531 CD2 TRP A 94 -2.858 -8.508 -48.329 1.00 1.00 C ATOM 1532 NE1 TRP A 94 -3.141 -6.334 -47.861 1.00 1.00 N ATOM 1533 CE2 TRP A 94 -2.248 -7.254 -48.353 1.00 1.00 C ATOM 1534 CE3 TRP A 94 -2.143 -9.633 -48.793 1.00 1.00 C ATOM 1535 CZ2 TRP A 94 -0.943 -7.089 -48.796 1.00 1.00 C ATOM 1536 CZ3 TRP A 94 -0.870 -9.470 -49.227 1.00 1.00 C ATOM 1537 CH2 TRP A 94 -0.277 -8.202 -49.242 1.00 1.00 C ATOM 0 H TRP A 94 -5.495 -11.962 -47.030 1.00 1.00 H new ATOM 0 HA TRP A 94 -4.393 -9.563 -45.695 1.00 1.00 H new ATOM 0 HB2 TRP A 94 -5.156 -10.110 -48.382 1.00 1.00 H new ATOM 0 HB3 TRP A 94 -6.235 -8.890 -47.734 1.00 1.00 H new ATOM 0 HD1 TRP A 94 -5.183 -6.486 -47.130 1.00 1.00 H new ATOM 0 HE1 TRP A 94 -2.962 -5.335 -47.755 1.00 1.00 H new ATOM 0 HE3 TRP A 94 -2.604 -10.610 -48.802 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 -0.469 -6.119 -48.790 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 -0.307 -10.327 -49.565 1.00 1.00 H new ATOM 0 HH2 TRP A 94 0.731 -8.097 -49.615 1.00 1.00 H new ATOM 1548 N ILE A 95 -6.358 -9.645 -44.174 1.00 1.00 N ATOM 1549 CA ILE A 95 -7.510 -9.481 -43.261 1.00 1.00 C ATOM 1550 C ILE A 95 -7.364 -8.194 -42.460 1.00 1.00 C ATOM 1551 O ILE A 95 -6.224 -7.799 -42.122 1.00 1.00 O ATOM 1552 CB ILE A 95 -7.742 -10.741 -42.319 1.00 1.00 C ATOM 1553 CG1 ILE A 95 -6.408 -11.503 -42.023 1.00 1.00 C ATOM 1554 CG2 ILE A 95 -8.777 -11.685 -42.958 1.00 1.00 C ATOM 1555 CD1 ILE A 95 -6.276 -12.033 -40.640 1.00 1.00 C ATOM 0 H ILE A 95 -5.451 -9.616 -43.708 1.00 1.00 H new ATOM 0 HA ILE A 95 -8.406 -9.410 -43.877 1.00 1.00 H new ATOM 0 HB ILE A 95 -8.123 -10.381 -41.363 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -6.319 -12.333 -42.723 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -5.573 -10.830 -42.219 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -8.933 -12.547 -42.309 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -9.720 -11.155 -43.090 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -8.412 -12.022 -43.928 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -5.319 -12.544 -40.536 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -6.327 -11.209 -39.928 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -7.085 -12.735 -40.441 1.00 1.00 H new ATOM 1567 N GLU A 96 -8.540 -7.606 -42.089 1.00 1.00 N ATOM 1568 CA GLU A 96 -8.566 -6.382 -41.275 1.00 1.00 C ATOM 1569 C GLU A 96 -8.573 -6.732 -39.776 1.00 1.00 C ATOM 1570 O GLU A 96 -9.325 -7.645 -39.352 1.00 1.00 O ATOM 1571 CB GLU A 96 -9.741 -5.535 -41.676 1.00 1.00 C ATOM 1572 CG GLU A 96 -9.353 -4.206 -42.288 1.00 1.00 C ATOM 1573 CD GLU A 96 -10.477 -3.192 -42.203 1.00 1.00 C ATOM 1574 OE1 GLU A 96 -11.300 -3.134 -43.140 1.00 1.00 O ATOM 1575 OE2 GLU A 96 -10.533 -2.453 -41.195 1.00 1.00 O ATOM 0 H GLU A 96 -9.461 -7.964 -42.343 1.00 1.00 H new ATOM 0 HA GLU A 96 -7.663 -5.799 -41.455 1.00 1.00 H new ATOM 0 HB2 GLU A 96 -10.350 -6.089 -42.390 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -10.363 -5.353 -40.799 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -8.473 -3.815 -41.778 1.00 1.00 H new ATOM 0 HG3 GLU A 96 -9.077 -4.354 -43.332 1.00 1.00 H new ATOM 1582 N GLU A 97 -7.674 -6.035 -39.013 1.00 1.00 N ATOM 1583 CA GLU A 97 -7.557 -6.237 -37.572 1.00 1.00 C ATOM 1584 C GLU A 97 -8.654 -5.461 -36.804 1.00 1.00 C ATOM 1585 O GLU A 97 -9.004 -4.331 -37.227 1.00 1.00 O ATOM 1586 CB GLU A 97 -6.202 -5.886 -37.033 1.00 1.00 C ATOM 1587 CG GLU A 97 -5.436 -7.082 -36.498 1.00 1.00 C ATOM 1588 CD GLU A 97 -4.048 -7.153 -37.094 1.00 1.00 C ATOM 1589 OE1 GLU A 97 -3.118 -6.560 -36.504 1.00 1.00 O ATOM 1590 OE2 GLU A 97 -3.889 -7.795 -38.157 1.00 1.00 O ATOM 0 H GLU A 97 -7.033 -5.337 -39.390 1.00 1.00 H new ATOM 0 HA GLU A 97 -7.697 -7.306 -37.411 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -5.617 -5.413 -37.822 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -6.316 -5.151 -36.236 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -5.366 -7.016 -35.412 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -5.980 -7.998 -36.727 1.00 1.00 H new ATOM 1597 N PRO A 98 -9.265 -6.061 -35.675 1.00 1.00 N ATOM 1598 CA PRO A 98 -10.281 -5.367 -34.874 1.00 1.00 C ATOM 1599 C PRO A 98 -9.797 -4.077 -34.151 1.00 1.00 C ATOM 1600 O PRO A 98 -8.568 -3.892 -33.906 1.00 1.00 O ATOM 1601 CB PRO A 98 -10.716 -6.461 -33.920 1.00 1.00 C ATOM 1602 CG PRO A 98 -9.568 -7.420 -33.819 1.00 1.00 C ATOM 1603 CD PRO A 98 -9.057 -7.473 -35.161 1.00 1.00 C ATOM 0 HA PRO A 98 -11.083 -4.958 -35.488 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -10.963 -6.047 -32.942 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -11.610 -6.964 -34.288 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -8.813 -7.070 -33.115 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -9.894 -8.401 -33.474 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.004 -7.756 -35.179 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -9.594 -8.204 -35.766 1.00 1.00 H new ATOM 1611 N ARG A 99 -10.801 -3.228 -33.840 1.00 1.00 N ATOM 1612 CA ARG A 99 -10.569 -1.977 -33.138 1.00 1.00 C ATOM 1613 C ARG A 99 -11.084 -2.073 -31.713 1.00 1.00 C ATOM 1614 O ARG A 99 -12.187 -2.635 -31.464 1.00 1.00 O ATOM 1615 CB ARG A 99 -11.182 -0.809 -33.878 1.00 1.00 C ATOM 1616 CG ARG A 99 -10.259 -0.244 -34.935 1.00 1.00 C ATOM 1617 CD ARG A 99 -10.951 0.792 -35.719 1.00 1.00 C ATOM 1618 NE ARG A 99 -10.090 1.365 -36.756 1.00 1.00 N ATOM 1619 CZ ARG A 99 -10.527 2.214 -37.708 1.00 1.00 C ATOM 1620 NH1 ARG A 99 -11.732 2.756 -37.629 1.00 1.00 N ATOM 1621 NH2 ARG A 99 -9.752 2.499 -38.716 1.00 1.00 N ATOM 0 H ARG A 99 -11.779 -3.401 -34.072 1.00 1.00 H new ATOM 0 HA ARG A 99 -9.495 -1.797 -33.098 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -12.113 -1.128 -34.346 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -11.436 -0.024 -33.165 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -9.372 0.179 -34.464 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -9.919 -1.042 -35.595 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -11.839 0.363 -36.182 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -11.291 1.584 -35.052 1.00 1.00 H new ATOM 0 HE ARG A 99 -9.103 1.107 -36.758 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -12.341 2.533 -36.842 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -12.052 3.397 -38.355 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -8.824 2.081 -38.780 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -10.074 3.140 -39.441 1.00 1.00 H new ATOM 1635 N PHE A 100 -10.253 -1.545 -30.785 1.00 1.00 N ATOM 1636 CA PHE A 100 -10.576 -1.564 -29.347 1.00 1.00 C ATOM 1637 C PHE A 100 -10.735 -0.183 -28.826 1.00 1.00 C ATOM 1638 O PHE A 100 -9.863 0.688 -29.059 1.00 1.00 O ATOM 1639 CB PHE A 100 -9.495 -2.337 -28.559 1.00 1.00 C ATOM 1640 CG PHE A 100 -9.342 -3.809 -28.934 1.00 1.00 C ATOM 1641 CD1 PHE A 100 -10.173 -4.766 -28.388 1.00 1.00 C ATOM 1642 CD2 PHE A 100 -8.370 -4.186 -29.852 1.00 1.00 C ATOM 1643 CE1 PHE A 100 -10.041 -6.072 -28.733 1.00 1.00 C ATOM 1644 CE2 PHE A 100 -8.230 -5.497 -30.199 1.00 1.00 C ATOM 1645 CZ PHE A 100 -9.066 -6.445 -29.638 1.00 1.00 C ATOM 0 H PHE A 100 -9.361 -1.104 -31.008 1.00 1.00 H new ATOM 0 HA PHE A 100 -11.526 -2.082 -29.213 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -8.536 -1.840 -28.706 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.728 -2.272 -27.496 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.935 -4.473 -27.680 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.725 -3.440 -30.291 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -10.695 -6.816 -28.302 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -7.471 -5.793 -30.908 1.00 1.00 H new ATOM 0 HZ PHE A 100 -8.956 -7.485 -29.909 1.00 1.00 H new ATOM 1655 N LYS A 101 -11.907 0.060 -28.191 1.00 1.00 N ATOM 1656 CA LYS A 101 -12.235 1.389 -27.626 1.00 1.00 C ATOM 1657 C LYS A 101 -12.962 1.240 -26.303 1.00 1.00 C ATOM 1658 O LYS A 101 -13.622 0.202 -26.060 1.00 1.00 O ATOM 1659 CB LYS A 101 -13.074 2.218 -28.640 1.00 1.00 C ATOM 1660 CG LYS A 101 -12.418 3.533 -29.023 1.00 1.00 C ATOM 1661 CD LYS A 101 -13.197 4.226 -30.117 1.00 1.00 C ATOM 1662 CE LYS A 101 -12.565 5.552 -30.496 1.00 1.00 C ATOM 1663 NZ LYS A 101 -13.309 6.241 -31.592 1.00 1.00 N ATOM 0 H LYS A 101 -12.635 -0.642 -28.058 1.00 1.00 H new ATOM 0 HA LYS A 101 -11.306 1.928 -27.438 1.00 1.00 H new ATOM 0 HB2 LYS A 101 -13.236 1.624 -29.540 1.00 1.00 H new ATOM 0 HB3 LYS A 101 -14.055 2.420 -28.211 1.00 1.00 H new ATOM 0 HG2 LYS A 101 -12.356 4.181 -28.149 1.00 1.00 H new ATOM 0 HG3 LYS A 101 -11.397 3.351 -29.358 1.00 1.00 H new ATOM 0 HD2 LYS A 101 -13.246 3.581 -30.994 1.00 1.00 H new ATOM 0 HD3 LYS A 101 -14.222 4.392 -29.786 1.00 1.00 H new ATOM 0 HE2 LYS A 101 -12.531 6.200 -29.620 1.00 1.00 H new ATOM 0 HE3 LYS A 101 -11.534 5.385 -30.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 101 -12.840 7.142 -31.817 1.00 1.00 H new ATOM 0 HZ2 LYS A 101 -13.320 5.636 -32.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 101 -14.286 6.426 -31.286 1.00 1.00 H new ATOM 1677 N LEU A 102 -12.894 2.318 -25.465 1.00 1.00 N ATOM 1678 CA LEU A 102 -13.562 2.359 -24.166 1.00 1.00 C ATOM 1679 C LEU A 102 -14.568 3.472 -24.141 1.00 1.00 C ATOM 1680 O LEU A 102 -14.258 4.634 -24.533 1.00 1.00 O ATOM 1681 CB LEU A 102 -12.557 2.516 -23.024 1.00 1.00 C ATOM 1682 CG LEU A 102 -12.012 1.217 -22.430 1.00 1.00 C ATOM 1683 CD1 LEU A 102 -10.563 0.991 -22.840 1.00 1.00 C ATOM 1684 CD2 LEU A 102 -12.128 1.250 -20.922 1.00 1.00 C ATOM 0 H LEU A 102 -12.374 3.167 -25.687 1.00 1.00 H new ATOM 0 HA LEU A 102 -14.078 1.410 -24.020 1.00 1.00 H new ATOM 0 HB2 LEU A 102 -11.716 3.109 -23.385 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -13.030 3.087 -22.225 1.00 1.00 H new ATOM 0 HG LEU A 102 -12.605 0.389 -22.818 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -10.202 0.060 -22.403 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -10.497 0.931 -23.926 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -9.951 1.820 -22.485 1.00 1.00 H new ATOM 0 HD21 LEU A 102 -11.738 0.321 -20.507 1.00 1.00 H new ATOM 0 HD22 LEU A 102 -11.555 2.091 -20.531 1.00 1.00 H new ATOM 0 HD23 LEU A 102 -13.175 1.362 -20.640 1.00 1.00 H new ATOM 1696 N GLU A 103 -15.801 3.117 -23.713 1.00 1.00 N ATOM 1697 CA GLU A 103 -16.892 4.087 -23.609 1.00 1.00 C ATOM 1698 C GLU A 103 -17.354 4.182 -22.176 1.00 1.00 C ATOM 1699 O GLU A 103 -17.582 3.145 -21.501 1.00 1.00 O ATOM 1700 CB GLU A 103 -18.045 3.728 -24.556 1.00 1.00 C ATOM 1701 CG GLU A 103 -18.366 4.816 -25.565 1.00 1.00 C ATOM 1702 CD GLU A 103 -19.381 4.433 -26.703 1.00 1.00 C ATOM 1703 OE1 GLU A 103 -20.614 4.653 -26.525 1.00 1.00 O ATOM 1704 OE2 GLU A 103 -18.934 3.977 -27.796 1.00 1.00 O ATOM 0 H GLU A 103 -16.055 2.168 -23.437 1.00 1.00 H new ATOM 0 HA GLU A 103 -16.525 5.066 -23.916 1.00 1.00 H new ATOM 0 HB2 GLU A 103 -17.793 2.812 -25.090 1.00 1.00 H new ATOM 0 HB3 GLU A 103 -18.937 3.518 -23.965 1.00 1.00 H new ATOM 0 HG2 GLU A 103 -18.765 5.676 -25.026 1.00 1.00 H new ATOM 0 HG3 GLU A 103 -17.434 5.136 -26.031 1.00 1.00 H new ATOM 1711 N ARG A 104 -17.534 5.457 -21.719 1.00 1.00 N ATOM 1712 CA ARG A 104 -18.039 5.745 -20.335 1.00 1.00 C ATOM 1713 C ARG A 104 -19.569 5.476 -20.261 1.00 1.00 C ATOM 1714 O ARG A 104 -20.255 5.668 -21.303 1.00 1.00 O ATOM 1715 CB ARG A 104 -17.745 7.171 -19.952 1.00 1.00 C ATOM 1716 CG ARG A 104 -16.445 7.355 -19.212 1.00 1.00 C ATOM 1717 CD ARG A 104 -16.283 8.773 -18.826 1.00 1.00 C ATOM 1718 NE ARG A 104 -15.407 9.510 -19.745 1.00 1.00 N ATOM 1719 CZ ARG A 104 -15.275 10.845 -19.748 1.00 1.00 C ATOM 1720 NH1 ARG A 104 -15.741 11.574 -18.742 1.00 1.00 N ATOM 1721 NH2 ARG A 104 -14.657 11.419 -20.736 1.00 1.00 N ATOM 0 H ARG A 104 -17.342 6.290 -22.275 1.00 1.00 H new ATOM 0 HA ARG A 104 -17.527 5.086 -19.633 1.00 1.00 H new ATOM 0 HB2 ARG A 104 -17.726 7.782 -20.855 1.00 1.00 H new ATOM 0 HB3 ARG A 104 -18.560 7.544 -19.332 1.00 1.00 H new ATOM 0 HG2 ARG A 104 -16.429 6.723 -18.324 1.00 1.00 H new ATOM 0 HG3 ARG A 104 -15.611 7.042 -19.841 1.00 1.00 H new ATOM 0 HD2 ARG A 104 -17.261 9.253 -18.799 1.00 1.00 H new ATOM 0 HD3 ARG A 104 -15.873 8.827 -17.817 1.00 1.00 H new ATOM 0 HE ARG A 104 -14.865 8.974 -20.423 1.00 1.00 H new ATOM 0 HH11 ARG A 104 -16.205 11.120 -17.955 1.00 1.00 H new ATOM 0 HH12 ARG A 104 -15.635 12.588 -18.755 1.00 1.00 H new ATOM 0 HH21 ARG A 104 -14.279 10.855 -21.497 1.00 1.00 H new ATOM 0 HH22 ARG A 104 -14.550 12.433 -20.750 1.00 1.00 H new ATOM 1735 N LYS A 105 -20.115 4.902 -19.058 1.00 1.00 N ATOM 1736 CA LYS A 105 -21.627 4.643 -18.754 1.00 1.00 C ATOM 1737 C LYS A 105 -21.961 4.994 -17.221 1.00 1.00 C ATOM 1738 O LYS A 105 -22.709 5.984 -17.004 1.00 1.00 O ATOM 1739 CB LYS A 105 -22.171 3.164 -19.184 1.00 1.00 C ATOM 1740 CG LYS A 105 -23.137 3.099 -20.442 1.00 1.00 C ATOM 1741 CD LYS A 105 -24.049 1.835 -20.466 1.00 1.00 C ATOM 1742 CE LYS A 105 -24.986 1.787 -21.697 1.00 1.00 C ATOM 1743 NZ LYS A 105 -25.851 0.568 -21.701 1.00 1.00 N ATOM 1744 OXT LYS A 105 -21.449 4.318 -16.270 1.00 1.00 O ATOM 0 H LYS A 105 -19.514 4.613 -18.286 1.00 1.00 H new ATOM 0 HA LYS A 105 -22.182 5.323 -19.400 1.00 1.00 H new ATOM 0 HB2 LYS A 105 -21.308 2.529 -19.384 1.00 1.00 H new ATOM 0 HB3 LYS A 105 -22.694 2.732 -18.331 1.00 1.00 H new ATOM 0 HG2 LYS A 105 -23.765 3.990 -20.453 1.00 1.00 H new ATOM 0 HG3 LYS A 105 -22.537 3.121 -21.352 1.00 1.00 H new ATOM 0 HD2 LYS A 105 -23.423 0.942 -20.458 1.00 1.00 H new ATOM 0 HD3 LYS A 105 -24.651 1.811 -19.557 1.00 1.00 H new ATOM 0 HE2 LYS A 105 -25.615 2.677 -21.707 1.00 1.00 H new ATOM 0 HE3 LYS A 105 -24.388 1.809 -22.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 -26.461 0.578 -22.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 -25.252 -0.282 -21.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 -26.442 0.559 -20.845 1.00 1.00 H new