USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 713 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= 0.782 (180deg=-0.466) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.815) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.862 K(o=-0.86,f=-0.026) USER MOD Single : A 42 THR OG1 : rot 3:sc= 0.737 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -51:sc= -1.62! USER MOD Single : A 71 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 73 ASN : amide:sc= -4.96! C(o=-5!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0996 K(o=0.1,f=-1.6!) USER MOD Single : A 80 THR OG1 : rot -140:sc= -0.107 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00047) USER MOD Single : A 98 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.500 -2.858 1.837 1.00 0.00 N ATOM 130 CA TRP A 12 -7.309 -1.577 1.169 1.00 0.00 C ATOM 131 C TRP A 12 -8.355 -1.370 0.079 1.00 0.00 C ATOM 132 O TRP A 12 -9.185 -2.244 -0.172 1.00 0.00 O ATOM 133 CB TRP A 12 -5.905 -1.497 0.567 1.00 0.00 C ATOM 134 CG TRP A 12 -4.816 -1.757 1.563 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.092 -0.824 2.249 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.327 -3.036 1.983 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.182 -1.445 3.070 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.307 -2.802 2.926 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.652 -4.355 1.656 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.611 -3.839 3.542 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.961 -5.383 2.268 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.950 -5.120 3.203 1.00 0.00 C ATOM 0 HA TRP A 12 -7.424 -0.788 1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.824 -2.219 -0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.760 -0.509 0.131 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.217 0.245 2.159 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.521 -0.973 3.687 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.430 -4.567 0.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.831 -3.639 4.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.204 -6.406 2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.428 -5.945 3.665 1.00 0.00 H new ATOM 153 N SER A 13 -8.310 -0.208 -0.566 1.00 0.00 N ATOM 154 CA SER A 13 -9.257 0.114 -1.627 1.00 0.00 C ATOM 155 C SER A 13 -8.697 -0.275 -2.992 1.00 0.00 C ATOM 156 O SER A 13 -7.497 -0.177 -3.250 1.00 0.00 O ATOM 157 CB SER A 13 -9.589 1.608 -1.606 1.00 0.00 C ATOM 158 OG SER A 13 -10.592 1.894 -0.647 1.00 0.00 O ATOM 0 H SER A 13 -7.628 0.525 -0.372 1.00 0.00 H new ATOM 0 HA SER A 13 -10.169 -0.457 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.690 2.180 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.926 1.923 -2.594 1.00 0.00 H new ATOM 0 HG SER A 13 -10.785 2.855 -0.652 1.00 0.00 H new ATOM 164 N PRO A 14 -9.586 -0.728 -3.888 1.00 0.00 N ATOM 165 CA PRO A 14 -9.205 -1.141 -5.242 1.00 0.00 C ATOM 166 C PRO A 14 -8.784 0.039 -6.111 1.00 0.00 C ATOM 167 O PRO A 14 -8.479 -0.126 -7.292 1.00 0.00 O ATOM 168 CB PRO A 14 -10.484 -1.779 -5.791 1.00 0.00 C ATOM 169 CG PRO A 14 -11.587 -1.140 -5.020 1.00 0.00 C ATOM 170 CD PRO A 14 -11.032 -0.871 -3.649 1.00 0.00 C ATOM 0 HA PRO A 14 -8.346 -1.811 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.590 -1.596 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.478 -2.860 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.912 -0.216 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.457 -1.795 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.458 0.032 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.247 -1.689 -2.961 1.00 0.00 H new ATOM 178 N GLU A 15 -8.767 1.229 -5.518 1.00 0.00 N ATOM 179 CA GLU A 15 -8.383 2.436 -6.240 1.00 0.00 C ATOM 180 C GLU A 15 -7.031 2.952 -5.755 1.00 0.00 C ATOM 181 O GLU A 15 -6.891 3.379 -4.609 1.00 0.00 O ATOM 182 CB GLU A 15 -9.447 3.522 -6.066 1.00 0.00 C ATOM 183 CG GLU A 15 -9.399 4.210 -4.713 1.00 0.00 C ATOM 184 CD GLU A 15 -10.745 4.770 -4.296 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.778 4.206 -4.715 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.767 5.772 -3.551 1.00 0.00 O ATOM 0 H GLU A 15 -9.014 1.383 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.300 2.185 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.322 4.270 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.433 3.078 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.056 3.500 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.668 5.018 -4.746 1.00 0.00 H new ATOM 193 N VAL A 16 -6.037 2.908 -6.637 1.00 0.00 N ATOM 194 CA VAL A 16 -4.696 3.371 -6.301 1.00 0.00 C ATOM 195 C VAL A 16 -4.488 4.817 -6.739 1.00 0.00 C ATOM 196 O VAL A 16 -4.872 5.205 -7.842 1.00 0.00 O ATOM 197 CB VAL A 16 -3.616 2.488 -6.955 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.806 2.442 -8.463 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.227 2.994 -6.599 1.00 0.00 C ATOM 0 H VAL A 16 -6.135 2.556 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.601 3.305 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.717 1.474 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.034 1.814 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.788 2.029 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.732 3.450 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.477 2.359 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.110 4.018 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.097 2.969 -5.517 1.00 0.00 H new ATOM 209 N LYS A 17 -3.875 5.611 -5.867 1.00 0.00 N ATOM 210 CA LYS A 17 -3.613 7.014 -6.163 1.00 0.00 C ATOM 211 C LYS A 17 -2.118 7.264 -6.337 1.00 0.00 C ATOM 212 O LYS A 17 -1.300 6.740 -5.581 1.00 0.00 O ATOM 213 CB LYS A 17 -4.162 7.904 -5.045 1.00 0.00 C ATOM 214 CG LYS A 17 -3.805 7.418 -3.651 1.00 0.00 C ATOM 215 CD LYS A 17 -4.227 8.418 -2.587 1.00 0.00 C ATOM 216 CE LYS A 17 -3.605 8.092 -1.238 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.225 8.639 -1.116 1.00 0.00 N ATOM 0 H LYS A 17 -3.550 5.306 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.117 7.262 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.780 8.916 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.247 7.959 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.289 6.460 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.730 7.250 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.932 9.422 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.313 8.419 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.229 8.500 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.580 7.011 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.570 7.874 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.932 9.049 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.207 9.376 -0.383 1.00 0.00 H new ATOM 231 N ILE A 18 -1.770 8.067 -7.337 1.00 0.00 N ATOM 232 CA ILE A 18 -0.374 8.387 -7.608 1.00 0.00 C ATOM 233 C ILE A 18 0.038 9.681 -6.915 1.00 0.00 C ATOM 234 O ILE A 18 -0.602 10.719 -7.083 1.00 0.00 O ATOM 235 CB ILE A 18 -0.110 8.521 -9.119 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.463 7.217 -9.838 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.342 8.895 -9.372 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.447 6.063 -9.479 1.00 0.00 C ATOM 0 H ILE A 18 -2.435 8.508 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 18 0.220 7.562 -7.215 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.743 9.315 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.491 6.946 -9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.420 7.382 -10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.513 8.986 -10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.562 9.846 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.993 8.121 -8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.138 5.172 -10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.474 6.313 -9.744 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.386 5.871 -8.408 1.00 0.00 H new ATOM 250 N VAL A 19 1.112 9.612 -6.134 1.00 0.00 N ATOM 251 CA VAL A 19 1.612 10.779 -5.417 1.00 0.00 C ATOM 252 C VAL A 19 2.946 11.245 -5.988 1.00 0.00 C ATOM 253 O VAL A 19 3.861 10.446 -6.184 1.00 0.00 O ATOM 254 CB VAL A 19 1.784 10.483 -3.915 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.355 11.695 -3.194 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.458 10.062 -3.300 1.00 0.00 C ATOM 0 H VAL A 19 1.652 8.760 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 19 0.871 11.569 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 19 2.488 9.659 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.470 11.467 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.327 11.946 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.678 12.541 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.598 9.857 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.270 10.864 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.095 9.163 -3.798 1.00 0.00 H new ATOM 266 N GLU A 20 3.049 12.544 -6.253 1.00 0.00 N ATOM 267 CA GLU A 20 4.273 13.116 -6.802 1.00 0.00 C ATOM 268 C GLU A 20 5.234 13.518 -5.687 1.00 0.00 C ATOM 269 O GLU A 20 5.032 14.528 -5.012 1.00 0.00 O ATOM 270 CB GLU A 20 3.948 14.331 -7.673 1.00 0.00 C ATOM 271 CG GLU A 20 3.594 13.975 -9.107 1.00 0.00 C ATOM 272 CD GLU A 20 2.135 13.597 -9.272 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.785 12.436 -8.974 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.343 14.463 -9.700 1.00 0.00 O ATOM 0 H GLU A 20 2.301 13.219 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 20 4.755 12.356 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.116 14.875 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.805 15.005 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.821 14.822 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.220 13.145 -9.436 1.00 0.00 H new ATOM 281 N LEU A 21 6.279 12.720 -5.500 1.00 0.00 N ATOM 282 CA LEU A 21 7.273 12.991 -4.466 1.00 0.00 C ATOM 283 C LEU A 21 8.599 13.422 -5.085 1.00 0.00 C ATOM 284 O LEU A 21 9.148 12.733 -5.945 1.00 0.00 O ATOM 285 CB LEU A 21 7.483 11.751 -3.595 1.00 0.00 C ATOM 286 CG LEU A 21 6.433 11.507 -2.511 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.957 10.529 -1.471 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.028 12.819 -1.855 1.00 0.00 C ATOM 0 H LEU A 21 6.461 11.880 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 21 6.901 13.806 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.515 10.876 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.459 11.829 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 21 5.551 11.070 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.196 10.368 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.196 9.580 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.855 10.937 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.280 12.626 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.903 13.284 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.610 13.488 -2.607 1.00 0.00 H new ATOM 300 N VAL A 22 9.109 14.567 -4.641 1.00 0.00 N ATOM 301 CA VAL A 22 10.372 15.088 -5.148 1.00 0.00 C ATOM 302 C VAL A 22 11.545 14.606 -4.302 1.00 0.00 C ATOM 303 O VAL A 22 11.838 15.170 -3.247 1.00 0.00 O ATOM 304 CB VAL A 22 10.372 16.628 -5.176 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.748 17.155 -5.555 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.312 17.143 -6.138 1.00 0.00 C ATOM 0 H VAL A 22 8.666 15.151 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 22 10.484 14.713 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 22 10.132 16.992 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.729 18.245 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.482 16.815 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.020 16.784 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.326 18.233 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.519 16.771 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.330 16.795 -5.818 1.00 0.00 H new ATOM 316 N LYS A 23 12.216 13.560 -4.772 1.00 0.00 N ATOM 317 CA LYS A 23 13.360 13.002 -4.061 1.00 0.00 C ATOM 318 C LYS A 23 14.498 14.014 -3.981 1.00 0.00 C ATOM 319 O LYS A 23 14.629 14.884 -4.842 1.00 0.00 O ATOM 320 CB LYS A 23 13.845 11.727 -4.755 1.00 0.00 C ATOM 321 CG LYS A 23 15.153 11.192 -4.199 1.00 0.00 C ATOM 322 CD LYS A 23 15.349 9.726 -4.546 1.00 0.00 C ATOM 323 CE LYS A 23 16.821 9.342 -4.536 1.00 0.00 C ATOM 324 NZ LYS A 23 17.019 7.914 -4.162 1.00 0.00 N ATOM 0 H LYS A 23 11.987 13.081 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 23 13.042 12.759 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.078 10.958 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.967 11.927 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.984 11.775 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.166 11.315 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.806 9.106 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.926 9.524 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.250 9.522 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.358 9.979 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.911 7.813 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.228 7.599 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.056 7.332 -5.023 1.00 0.00 H new ATOM 338 N ASP A 24 15.319 13.893 -2.943 1.00 0.00 N ATOM 339 CA ASP A 24 16.448 14.796 -2.753 1.00 0.00 C ATOM 340 C ASP A 24 17.762 14.022 -2.710 1.00 0.00 C ATOM 341 O ASP A 24 17.775 12.796 -2.821 1.00 0.00 O ATOM 342 CB ASP A 24 16.273 15.600 -1.463 1.00 0.00 C ATOM 343 CG ASP A 24 15.079 16.532 -1.519 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.131 17.517 -2.285 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.093 16.278 -0.796 1.00 0.00 O ATOM 0 H ASP A 24 15.224 13.179 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 24 16.479 15.482 -3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.156 14.914 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.176 16.182 -1.276 1.00 0.00 H new ATOM 350 N CYS A 25 18.864 14.747 -2.550 1.00 0.00 N ATOM 351 CA CYS A 25 20.184 14.128 -2.495 1.00 0.00 C ATOM 352 C CYS A 25 20.178 12.914 -1.571 1.00 0.00 C ATOM 353 O CYS A 25 20.680 11.848 -1.926 1.00 0.00 O ATOM 354 CB CYS A 25 21.225 15.141 -2.019 1.00 0.00 C ATOM 355 SG CYS A 25 21.460 16.541 -3.139 1.00 0.00 S ATOM 0 H CYS A 25 18.870 15.763 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 25 20.444 13.795 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.928 15.518 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.179 14.631 -1.888 1.00 0.00 H new ATOM 0 HG CYS A 25 22.358 17.343 -2.649 1.00 0.00 H new ATOM 361 N LYS A 26 19.607 13.084 -0.384 1.00 0.00 N ATOM 362 CA LYS A 26 19.535 12.004 0.593 1.00 0.00 C ATOM 363 C LYS A 26 18.571 10.916 0.130 1.00 0.00 C ATOM 364 O LYS A 26 18.834 9.726 0.301 1.00 0.00 O ATOM 365 CB LYS A 26 19.092 12.547 1.953 1.00 0.00 C ATOM 366 CG LYS A 26 17.737 13.232 1.923 1.00 0.00 C ATOM 367 CD LYS A 26 17.532 14.118 3.141 1.00 0.00 C ATOM 368 CE LYS A 26 16.279 14.969 3.007 1.00 0.00 C ATOM 369 NZ LYS A 26 16.309 16.148 3.915 1.00 0.00 N ATOM 0 H LYS A 26 19.187 13.960 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 26 20.529 11.568 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.059 11.726 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.839 13.254 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.652 13.832 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.949 12.480 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.458 13.498 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.400 14.764 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.179 15.307 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.402 14.361 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.437 16.702 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.379 15.825 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.132 16.742 3.686 1.00 0.00 H new ATOM 383 N GLY A 27 17.453 11.332 -0.458 1.00 0.00 N ATOM 384 CA GLY A 27 16.468 10.380 -0.937 1.00 0.00 C ATOM 385 C GLY A 27 15.058 10.746 -0.520 1.00 0.00 C ATOM 386 O GLY A 27 14.662 11.910 -0.596 1.00 0.00 O ATOM 0 H GLY A 27 17.212 12.311 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.519 10.325 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.710 9.388 -0.556 1.00 0.00 H new ATOM 390 N LEU A 28 14.296 9.751 -0.080 1.00 0.00 N ATOM 391 CA LEU A 28 12.920 9.973 0.349 1.00 0.00 C ATOM 392 C LEU A 28 12.857 10.276 1.843 1.00 0.00 C ATOM 393 O LEU A 28 13.884 10.337 2.518 1.00 0.00 O ATOM 394 CB LEU A 28 12.061 8.749 0.030 1.00 0.00 C ATOM 395 CG LEU A 28 11.677 8.563 -1.439 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.322 9.899 -2.071 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.808 7.892 -2.204 1.00 0.00 C ATOM 0 H LEU A 28 14.608 8.782 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 28 12.531 10.834 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.596 7.859 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.146 8.809 0.619 1.00 0.00 H new ATOM 0 HG LEU A 28 10.800 7.918 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.052 9.747 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.480 10.341 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.180 10.569 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.518 7.767 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.703 8.512 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.015 6.916 -1.766 1.00 0.00 H new ATOM 409 N GLY A 29 11.644 10.464 2.354 1.00 0.00 N ATOM 410 CA GLY A 29 11.470 10.757 3.765 1.00 0.00 C ATOM 411 C GLY A 29 10.460 9.841 4.426 1.00 0.00 C ATOM 412 O GLY A 29 9.792 10.230 5.385 1.00 0.00 O ATOM 0 H GLY A 29 10.779 10.419 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.429 10.662 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.148 11.792 3.881 1.00 0.00 H new ATOM 416 N PHE A 30 10.345 8.620 3.913 1.00 0.00 N ATOM 417 CA PHE A 30 9.406 7.647 4.459 1.00 0.00 C ATOM 418 C PHE A 30 10.032 6.256 4.508 1.00 0.00 C ATOM 419 O PHE A 30 11.119 6.033 3.975 1.00 0.00 O ATOM 420 CB PHE A 30 8.127 7.613 3.619 1.00 0.00 C ATOM 421 CG PHE A 30 8.373 7.337 2.163 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.410 6.036 1.688 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.568 8.378 1.270 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.636 5.778 0.349 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.793 8.126 -0.070 1.00 0.00 C ATOM 426 CZ PHE A 30 8.829 6.825 -0.531 1.00 0.00 C ATOM 0 H PHE A 30 10.890 8.281 3.120 1.00 0.00 H new ATOM 0 HA PHE A 30 9.157 7.951 5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.460 6.849 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.612 8.568 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.260 5.214 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.544 9.398 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.662 4.759 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.941 8.947 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.008 6.626 -1.577 1.00 0.00 H new ATOM 436 N SER A 31 9.338 5.323 5.152 1.00 0.00 N ATOM 437 CA SER A 31 9.827 3.955 5.276 1.00 0.00 C ATOM 438 C SER A 31 8.794 2.960 4.754 1.00 0.00 C ATOM 439 O SER A 31 7.679 3.338 4.393 1.00 0.00 O ATOM 440 CB SER A 31 10.163 3.641 6.734 1.00 0.00 C ATOM 441 OG SER A 31 11.475 4.067 7.058 1.00 0.00 O ATOM 0 H SER A 31 8.435 5.490 5.596 1.00 0.00 H new ATOM 0 HA SER A 31 10.732 3.863 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.445 4.133 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.072 2.569 6.909 1.00 0.00 H new ATOM 0 HG SER A 31 11.665 3.856 7.996 1.00 0.00 H new ATOM 447 N ILE A 32 9.174 1.688 4.718 1.00 0.00 N ATOM 448 CA ILE A 32 8.281 0.638 4.243 1.00 0.00 C ATOM 449 C ILE A 32 8.574 -0.688 4.936 1.00 0.00 C ATOM 450 O ILE A 32 9.704 -0.949 5.351 1.00 0.00 O ATOM 451 CB ILE A 32 8.400 0.445 2.719 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.862 0.558 2.282 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.542 1.466 1.987 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.146 -0.095 0.948 1.00 0.00 C ATOM 0 H ILE A 32 10.094 1.359 5.012 1.00 0.00 H new ATOM 0 HA ILE A 32 7.266 0.954 4.483 1.00 0.00 H new ATOM 0 HB ILE A 32 8.040 -0.552 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.136 1.612 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.496 0.103 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.637 1.317 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.499 1.342 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.874 2.472 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.201 0.024 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.904 -1.156 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.538 0.376 0.176 1.00 0.00 H new ATOM 466 N LEU A 33 7.549 -1.525 5.057 1.00 0.00 N ATOM 467 CA LEU A 33 7.695 -2.827 5.698 1.00 0.00 C ATOM 468 C LEU A 33 6.916 -3.898 4.942 1.00 0.00 C ATOM 469 O LEU A 33 6.168 -3.595 4.012 1.00 0.00 O ATOM 470 CB LEU A 33 7.214 -2.760 7.149 1.00 0.00 C ATOM 471 CG LEU A 33 5.730 -3.046 7.378 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.440 -3.208 8.862 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.875 -1.935 6.784 1.00 0.00 C ATOM 0 H LEU A 33 6.608 -1.325 4.719 1.00 0.00 H new ATOM 0 HA LEU A 33 8.752 -3.094 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.795 -3.471 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.436 -1.767 7.539 1.00 0.00 H new ATOM 0 HG LEU A 33 5.478 -3.980 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.379 -3.411 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.025 -4.038 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.708 -2.291 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.821 -2.155 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.130 -0.987 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.061 -1.866 5.712 1.00 0.00 H new ATOM 485 N ASP A 34 7.096 -5.150 5.347 1.00 0.00 N ATOM 486 CA ASP A 34 6.408 -6.266 4.709 1.00 0.00 C ATOM 487 C ASP A 34 5.207 -6.709 5.539 1.00 0.00 C ATOM 488 O ASP A 34 5.342 -7.046 6.715 1.00 0.00 O ATOM 489 CB ASP A 34 7.368 -7.440 4.512 1.00 0.00 C ATOM 490 CG ASP A 34 7.566 -8.246 5.781 1.00 0.00 C ATOM 491 OD1 ASP A 34 7.886 -7.640 6.824 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.401 -9.483 5.730 1.00 0.00 O ATOM 0 H ASP A 34 7.713 -5.418 6.114 1.00 0.00 H new ATOM 0 HA ASP A 34 6.051 -5.932 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.984 -8.092 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.332 -7.064 4.170 1.00 0.00 H new ATOM 497 N TYR A 35 4.032 -6.706 4.918 1.00 0.00 N ATOM 498 CA TYR A 35 2.806 -7.104 5.600 1.00 0.00 C ATOM 499 C TYR A 35 2.302 -8.445 5.076 1.00 0.00 C ATOM 500 O TYR A 35 2.676 -8.877 3.986 1.00 0.00 O ATOM 501 CB TYR A 35 1.727 -6.035 5.420 1.00 0.00 C ATOM 502 CG TYR A 35 0.749 -5.962 6.571 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.261 -6.906 6.710 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.833 -4.948 7.517 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.157 -6.843 7.759 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.058 -4.879 8.570 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.051 -5.828 8.687 1.00 0.00 C ATOM 508 OH TYR A 35 -1.942 -5.761 9.734 1.00 0.00 O ATOM 0 H TYR A 35 3.903 -6.432 3.944 1.00 0.00 H new ATOM 0 HA TYR A 35 3.029 -7.210 6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.206 -5.064 5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.178 -6.236 4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.347 -7.702 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.608 -4.201 7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.937 -7.585 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.023 -4.085 9.298 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.728 -4.988 10.297 1.00 0.00 H new ATOM 518 N GLN A 36 1.451 -9.097 5.861 1.00 0.00 N ATOM 519 CA GLN A 36 0.895 -10.389 5.477 1.00 0.00 C ATOM 520 C GLN A 36 -0.623 -10.394 5.624 1.00 0.00 C ATOM 521 O GLN A 36 -1.151 -10.192 6.717 1.00 0.00 O ATOM 522 CB GLN A 36 1.505 -11.504 6.328 1.00 0.00 C ATOM 523 CG GLN A 36 2.749 -12.126 5.714 1.00 0.00 C ATOM 524 CD GLN A 36 3.084 -13.476 6.317 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.204 -13.703 6.777 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.113 -14.382 6.319 1.00 0.00 N ATOM 0 H GLN A 36 1.132 -8.752 6.766 1.00 0.00 H new ATOM 0 HA GLN A 36 1.141 -10.565 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.756 -11.104 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.758 -12.282 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.602 -12.238 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.594 -11.451 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.200 -14.152 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.280 -15.308 6.712 1.00 0.00 H new ATOM 535 N ASP A 37 -1.319 -10.626 4.516 1.00 0.00 N ATOM 536 CA ASP A 37 -2.777 -10.658 4.521 1.00 0.00 C ATOM 537 C ASP A 37 -3.294 -11.679 5.529 1.00 0.00 C ATOM 538 O ASP A 37 -2.788 -12.797 5.633 1.00 0.00 O ATOM 539 CB ASP A 37 -3.306 -10.987 3.125 1.00 0.00 C ATOM 540 CG ASP A 37 -4.753 -10.572 2.941 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.638 -11.232 3.524 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.999 -9.587 2.214 1.00 0.00 O ATOM 0 H ASP A 37 -0.897 -10.795 3.603 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.137 -9.672 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.690 -10.486 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.213 -12.058 2.948 1.00 0.00 H new ATOM 547 N PRO A 38 -4.326 -11.288 6.291 1.00 0.00 N ATOM 548 CA PRO A 38 -4.935 -12.155 7.305 1.00 0.00 C ATOM 549 C PRO A 38 -5.704 -13.318 6.688 1.00 0.00 C ATOM 550 O PRO A 38 -6.013 -14.300 7.364 1.00 0.00 O ATOM 551 CB PRO A 38 -5.889 -11.216 8.048 1.00 0.00 C ATOM 552 CG PRO A 38 -6.214 -10.149 7.061 1.00 0.00 C ATOM 553 CD PRO A 38 -4.979 -9.970 6.222 1.00 0.00 C ATOM 0 HA PRO A 38 -4.186 -12.619 7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.787 -11.741 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.421 -10.801 8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.066 -10.434 6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.482 -9.220 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.226 -9.697 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.337 -9.182 6.615 1.00 0.00 H new ATOM 561 N LEU A 39 -6.010 -13.201 5.401 1.00 0.00 N ATOM 562 CA LEU A 39 -6.744 -14.244 4.691 1.00 0.00 C ATOM 563 C LEU A 39 -5.797 -15.113 3.870 1.00 0.00 C ATOM 564 O LEU A 39 -6.067 -16.291 3.634 1.00 0.00 O ATOM 565 CB LEU A 39 -7.802 -13.620 3.779 1.00 0.00 C ATOM 566 CG LEU A 39 -8.682 -12.542 4.412 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.559 -11.883 3.359 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.535 -13.135 5.524 1.00 0.00 C ATOM 0 H LEU A 39 -5.762 -12.395 4.827 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.237 -14.875 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.298 -13.188 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.448 -14.416 3.407 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.035 -11.780 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.178 -11.118 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.930 -11.423 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.199 -12.634 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.155 -12.353 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.174 -13.918 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.888 -13.559 6.292 1.00 0.00 H new ATOM 580 N ASP A 40 -4.686 -14.526 3.440 1.00 0.00 N ATOM 581 CA ASP A 40 -3.697 -15.247 2.648 1.00 0.00 C ATOM 582 C ASP A 40 -2.288 -14.991 3.174 1.00 0.00 C ATOM 583 O ASP A 40 -1.688 -13.944 2.928 1.00 0.00 O ATOM 584 CB ASP A 40 -3.789 -14.835 1.178 1.00 0.00 C ATOM 585 CG ASP A 40 -3.287 -15.915 0.241 1.00 0.00 C ATOM 586 OD1 ASP A 40 -2.564 -16.819 0.710 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.618 -15.858 -0.962 1.00 0.00 O ATOM 0 H ASP A 40 -4.448 -13.552 3.627 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.909 -16.313 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.825 -14.599 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.210 -13.925 1.022 1.00 0.00 H new ATOM 592 N PRO A 41 -1.746 -15.968 3.915 1.00 0.00 N ATOM 593 CA PRO A 41 -0.402 -15.872 4.492 1.00 0.00 C ATOM 594 C PRO A 41 0.691 -15.938 3.430 1.00 0.00 C ATOM 595 O PRO A 41 1.794 -15.428 3.626 1.00 0.00 O ATOM 596 CB PRO A 41 -0.324 -17.089 5.416 1.00 0.00 C ATOM 597 CG PRO A 41 -1.292 -18.064 4.841 1.00 0.00 C ATOM 598 CD PRO A 41 -2.403 -17.243 4.248 1.00 0.00 C ATOM 0 HA PRO A 41 -0.245 -14.922 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.685 -17.502 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.588 -16.826 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.817 -18.684 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.672 -18.737 5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.827 -17.719 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.220 -17.101 4.956 1.00 0.00 H new ATOM 606 N THR A 42 0.377 -16.570 2.303 1.00 0.00 N ATOM 607 CA THR A 42 1.332 -16.703 1.210 1.00 0.00 C ATOM 608 C THR A 42 1.375 -15.439 0.360 1.00 0.00 C ATOM 609 O THR A 42 1.999 -15.414 -0.700 1.00 0.00 O ATOM 610 CB THR A 42 0.988 -17.904 0.308 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.391 -17.852 -0.073 1.00 0.00 O ATOM 612 CG2 THR A 42 1.274 -19.217 1.022 1.00 0.00 C ATOM 0 H THR A 42 -0.531 -16.998 2.124 1.00 0.00 H new ATOM 0 HA THR A 42 2.310 -16.866 1.662 1.00 0.00 H new ATOM 0 HB THR A 42 1.612 -17.851 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.798 -17.034 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.023 -20.050 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.331 -19.266 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.673 -19.276 1.929 1.00 0.00 H new ATOM 620 N ARG A 43 0.708 -14.391 0.832 1.00 0.00 N ATOM 621 CA ARG A 43 0.670 -13.123 0.114 1.00 0.00 C ATOM 622 C ARG A 43 1.153 -11.980 1.003 1.00 0.00 C ATOM 623 O ARG A 43 0.615 -11.754 2.087 1.00 0.00 O ATOM 624 CB ARG A 43 -0.749 -12.834 -0.379 1.00 0.00 C ATOM 625 CG ARG A 43 -1.137 -13.627 -1.617 1.00 0.00 C ATOM 626 CD ARG A 43 -2.153 -12.877 -2.463 1.00 0.00 C ATOM 627 NE ARG A 43 -2.724 -13.722 -3.510 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.721 -13.341 -4.300 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.256 -12.135 -4.163 1.00 0.00 N ATOM 630 NH2 ARG A 43 -4.186 -14.166 -5.229 1.00 0.00 N ATOM 0 H ARG A 43 0.187 -14.395 1.709 1.00 0.00 H new ATOM 0 HA ARG A 43 1.337 -13.200 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.455 -13.057 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.839 -11.770 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.247 -13.833 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.551 -14.590 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.952 -12.503 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.676 -12.009 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.335 -14.656 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.902 -11.498 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.022 -11.845 -4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.778 -15.094 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.952 -13.872 -5.835 1.00 0.00 H new ATOM 644 N SER A 44 2.171 -11.264 0.536 1.00 0.00 N ATOM 645 CA SER A 44 2.729 -10.148 1.290 1.00 0.00 C ATOM 646 C SER A 44 2.645 -8.854 0.487 1.00 0.00 C ATOM 647 O SER A 44 2.647 -8.872 -0.744 1.00 0.00 O ATOM 648 CB SER A 44 4.184 -10.436 1.665 1.00 0.00 C ATOM 649 OG SER A 44 4.911 -10.923 0.551 1.00 0.00 O ATOM 0 H SER A 44 2.626 -11.437 -0.360 1.00 0.00 H new ATOM 0 HA SER A 44 2.143 -10.028 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.653 -9.526 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.217 -11.167 2.472 1.00 0.00 H new ATOM 0 HG SER A 44 5.838 -11.098 0.816 1.00 0.00 H new ATOM 655 N VAL A 45 2.571 -7.730 1.193 1.00 0.00 N ATOM 656 CA VAL A 45 2.488 -6.425 0.548 1.00 0.00 C ATOM 657 C VAL A 45 3.274 -5.376 1.325 1.00 0.00 C ATOM 658 O VAL A 45 3.410 -5.466 2.546 1.00 0.00 O ATOM 659 CB VAL A 45 1.026 -5.959 0.412 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.208 -6.984 -0.359 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.419 -5.703 1.783 1.00 0.00 C ATOM 0 H VAL A 45 2.567 -7.697 2.212 1.00 0.00 H new ATOM 0 HA VAL A 45 2.921 -6.535 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 45 1.012 -5.023 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.822 -6.637 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.632 -7.113 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.227 -7.937 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.614 -5.375 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.445 -6.621 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.991 -4.929 2.295 1.00 0.00 H new ATOM 671 N ILE A 46 3.790 -4.381 0.611 1.00 0.00 N ATOM 672 CA ILE A 46 4.561 -3.314 1.235 1.00 0.00 C ATOM 673 C ILE A 46 3.653 -2.187 1.715 1.00 0.00 C ATOM 674 O ILE A 46 2.797 -1.705 0.972 1.00 0.00 O ATOM 675 CB ILE A 46 5.608 -2.735 0.265 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.728 -3.750 0.024 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.175 -1.434 0.811 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.500 -4.107 1.275 1.00 0.00 C ATOM 0 H ILE A 46 3.688 -4.292 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 46 5.073 -3.754 2.091 1.00 0.00 H new ATOM 0 HB ILE A 46 5.121 -2.525 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.299 -4.658 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.419 -3.348 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.913 -1.038 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.370 -0.710 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.649 -1.620 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.277 -4.830 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.958 -3.209 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.821 -4.540 2.010 1.00 0.00 H new ATOM 690 N VAL A 47 3.845 -1.769 2.962 1.00 0.00 N ATOM 691 CA VAL A 47 3.045 -0.697 3.541 1.00 0.00 C ATOM 692 C VAL A 47 3.920 0.484 3.946 1.00 0.00 C ATOM 693 O VAL A 47 5.126 0.336 4.147 1.00 0.00 O ATOM 694 CB VAL A 47 2.259 -1.185 4.772 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.950 -0.421 4.907 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.005 -2.682 4.682 1.00 0.00 C ATOM 0 H VAL A 47 4.548 -2.157 3.591 1.00 0.00 H new ATOM 0 HA VAL A 47 2.341 -0.378 2.773 1.00 0.00 H new ATOM 0 HB VAL A 47 2.857 -0.994 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.408 -0.779 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.160 0.643 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.343 -0.578 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.449 -3.010 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.427 -2.900 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.957 -3.211 4.638 1.00 0.00 H new ATOM 706 N ILE A 48 3.305 1.656 4.066 1.00 0.00 N ATOM 707 CA ILE A 48 4.028 2.862 4.449 1.00 0.00 C ATOM 708 C ILE A 48 4.356 2.857 5.938 1.00 0.00 C ATOM 709 O ILE A 48 3.572 3.333 6.759 1.00 0.00 O ATOM 710 CB ILE A 48 3.221 4.131 4.117 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.820 4.136 2.641 1.00 0.00 C ATOM 712 CG2 ILE A 48 4.028 5.376 4.456 1.00 0.00 C ATOM 713 CD1 ILE A 48 3.980 4.380 1.700 1.00 0.00 C ATOM 0 H ILE A 48 2.308 1.796 3.903 1.00 0.00 H new ATOM 0 HA ILE A 48 4.955 2.870 3.875 1.00 0.00 H new ATOM 0 HB ILE A 48 2.313 4.134 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.358 3.180 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.065 4.905 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.444 6.265 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.268 5.376 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.951 5.380 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.622 4.370 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.428 5.349 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.726 3.597 1.832 1.00 0.00 H new ATOM 725 N ARG A 49 5.522 2.316 6.280 1.00 0.00 N ATOM 726 CA ARG A 49 5.954 2.249 7.670 1.00 0.00 C ATOM 727 C ARG A 49 5.606 3.537 8.410 1.00 0.00 C ATOM 728 O ARG A 49 4.824 3.527 9.361 1.00 0.00 O ATOM 729 CB ARG A 49 7.461 1.996 7.746 1.00 0.00 C ATOM 730 CG ARG A 49 8.002 1.963 9.166 1.00 0.00 C ATOM 731 CD ARG A 49 7.858 0.581 9.785 1.00 0.00 C ATOM 732 NE ARG A 49 8.713 0.414 10.957 1.00 0.00 N ATOM 733 CZ ARG A 49 10.040 0.395 10.902 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.661 0.532 9.739 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.749 0.239 12.013 1.00 0.00 N ATOM 0 H ARG A 49 6.183 1.918 5.613 1.00 0.00 H new ATOM 0 HA ARG A 49 5.429 1.422 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.687 1.048 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.980 2.774 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.052 2.254 9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.471 2.693 9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.818 0.417 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.109 -0.177 9.043 1.00 0.00 H new ATOM 0 HE ARG A 49 8.267 0.306 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.120 0.652 8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.680 0.517 9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.275 0.134 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.768 0.224 11.970 1.00 0.00 H new ATOM 749 N SER A 50 6.193 4.645 7.968 1.00 0.00 N ATOM 750 CA SER A 50 5.948 5.940 8.592 1.00 0.00 C ATOM 751 C SER A 50 6.607 7.061 7.792 1.00 0.00 C ATOM 752 O SER A 50 7.546 6.827 7.031 1.00 0.00 O ATOM 753 CB SER A 50 6.473 5.946 10.028 1.00 0.00 C ATOM 754 OG SER A 50 5.710 6.816 10.847 1.00 0.00 O ATOM 0 H SER A 50 6.841 4.672 7.181 1.00 0.00 H new ATOM 0 HA SER A 50 4.872 6.111 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.439 4.935 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.517 6.258 10.035 1.00 0.00 H new ATOM 0 HG SER A 50 6.065 6.800 11.760 1.00 0.00 H new ATOM 760 N LEU A 51 6.107 8.279 7.971 1.00 0.00 N ATOM 761 CA LEU A 51 6.646 9.437 7.267 1.00 0.00 C ATOM 762 C LEU A 51 7.603 10.220 8.160 1.00 0.00 C ATOM 763 O LEU A 51 7.193 10.813 9.159 1.00 0.00 O ATOM 764 CB LEU A 51 5.510 10.347 6.797 1.00 0.00 C ATOM 765 CG LEU A 51 4.194 9.651 6.448 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.152 10.669 6.010 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.414 8.609 5.361 1.00 0.00 C ATOM 0 H LEU A 51 5.330 8.490 8.597 1.00 0.00 H new ATOM 0 HA LEU A 51 7.199 9.078 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.313 11.082 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.851 10.897 5.920 1.00 0.00 H new ATOM 0 HG LEU A 51 3.825 9.144 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.222 10.156 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.974 11.378 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.513 11.204 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.467 8.124 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.806 9.093 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.127 7.863 5.711 1.00 0.00 H new ATOM 779 N VAL A 52 8.881 10.220 7.794 1.00 0.00 N ATOM 780 CA VAL A 52 9.896 10.933 8.560 1.00 0.00 C ATOM 781 C VAL A 52 9.502 12.390 8.772 1.00 0.00 C ATOM 782 O VAL A 52 8.971 13.038 7.871 1.00 0.00 O ATOM 783 CB VAL A 52 11.267 10.880 7.860 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.299 11.677 8.644 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.719 9.438 7.681 1.00 0.00 C ATOM 0 H VAL A 52 9.238 9.734 6.971 1.00 0.00 H new ATOM 0 HA VAL A 52 9.970 10.436 9.527 1.00 0.00 H new ATOM 0 HB VAL A 52 11.168 11.331 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.261 11.628 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.979 12.716 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.398 11.259 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.689 9.420 7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.801 8.959 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.991 8.901 7.073 1.00 0.00 H new ATOM 795 N ALA A 53 9.767 12.900 9.970 1.00 0.00 N ATOM 796 CA ALA A 53 9.442 14.282 10.301 1.00 0.00 C ATOM 797 C ALA A 53 9.938 15.236 9.220 1.00 0.00 C ATOM 798 O ALA A 53 11.143 15.426 9.052 1.00 0.00 O ATOM 799 CB ALA A 53 10.036 14.656 11.651 1.00 0.00 C ATOM 0 H ALA A 53 10.206 12.377 10.728 1.00 0.00 H new ATOM 0 HA ALA A 53 8.357 14.370 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.785 15.691 11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.629 14.001 12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.120 14.545 11.615 1.00 0.00 H new ATOM 805 N ASP A 54 9.003 15.834 8.489 1.00 0.00 N ATOM 806 CA ASP A 54 9.346 16.769 7.424 1.00 0.00 C ATOM 807 C ASP A 54 10.035 16.048 6.270 1.00 0.00 C ATOM 808 O ASP A 54 10.926 16.599 5.624 1.00 0.00 O ATOM 809 CB ASP A 54 10.251 17.878 7.962 1.00 0.00 C ATOM 810 CG ASP A 54 10.067 19.187 7.219 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.922 19.486 6.818 1.00 0.00 O ATOM 812 OD2 ASP A 54 11.067 19.911 7.038 1.00 0.00 O ATOM 0 H ASP A 54 8.001 15.688 8.615 1.00 0.00 H new ATOM 0 HA ASP A 54 8.423 17.213 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.042 18.032 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.292 17.563 7.885 1.00 0.00 H new ATOM 817 N GLY A 55 9.616 14.812 6.015 1.00 0.00 N ATOM 818 CA GLY A 55 10.204 14.036 4.939 1.00 0.00 C ATOM 819 C GLY A 55 9.469 14.215 3.626 1.00 0.00 C ATOM 820 O GLY A 55 8.274 14.511 3.611 1.00 0.00 O ATOM 0 H GLY A 55 8.880 14.334 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.246 14.329 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.201 12.981 5.213 1.00 0.00 H new ATOM 824 N VAL A 56 10.184 14.037 2.520 1.00 0.00 N ATOM 825 CA VAL A 56 9.592 14.181 1.195 1.00 0.00 C ATOM 826 C VAL A 56 8.154 13.677 1.178 1.00 0.00 C ATOM 827 O VAL A 56 7.275 14.298 0.582 1.00 0.00 O ATOM 828 CB VAL A 56 10.404 13.418 0.132 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.702 13.471 -1.216 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.813 13.983 0.031 1.00 0.00 C ATOM 0 H VAL A 56 11.174 13.793 2.515 1.00 0.00 H new ATOM 0 HA VAL A 56 9.604 15.245 0.957 1.00 0.00 H new ATOM 0 HB VAL A 56 10.477 12.374 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.291 12.927 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.716 13.015 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.596 14.509 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.373 13.432 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.764 15.035 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.313 13.887 0.995 1.00 0.00 H new ATOM 840 N ALA A 57 7.920 12.547 1.838 1.00 0.00 N ATOM 841 CA ALA A 57 6.587 11.960 1.901 1.00 0.00 C ATOM 842 C ALA A 57 5.580 12.948 2.480 1.00 0.00 C ATOM 843 O ALA A 57 4.615 13.324 1.817 1.00 0.00 O ATOM 844 CB ALA A 57 6.612 10.682 2.726 1.00 0.00 C ATOM 0 H ALA A 57 8.637 12.020 2.337 1.00 0.00 H new ATOM 0 HA ALA A 57 6.274 11.717 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.610 10.254 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.295 9.966 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.949 10.908 3.738 1.00 0.00 H new ATOM 850 N GLU A 58 5.812 13.363 3.722 1.00 0.00 N ATOM 851 CA GLU A 58 4.923 14.305 4.390 1.00 0.00 C ATOM 852 C GLU A 58 4.874 15.633 3.640 1.00 0.00 C ATOM 853 O GLU A 58 3.804 16.213 3.452 1.00 0.00 O ATOM 854 CB GLU A 58 5.380 14.538 5.832 1.00 0.00 C ATOM 855 CG GLU A 58 4.400 15.354 6.657 1.00 0.00 C ATOM 856 CD GLU A 58 4.629 16.848 6.527 1.00 0.00 C ATOM 857 OE1 GLU A 58 4.239 17.420 5.488 1.00 0.00 O ATOM 858 OE2 GLU A 58 5.200 17.444 7.465 1.00 0.00 O ATOM 0 H GLU A 58 6.608 13.062 4.285 1.00 0.00 H new ATOM 0 HA GLU A 58 3.921 13.875 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.534 13.573 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.344 15.047 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.383 15.118 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.486 15.067 7.705 1.00 0.00 H new ATOM 865 N ARG A 59 6.040 16.108 3.214 1.00 0.00 N ATOM 866 CA ARG A 59 6.131 17.368 2.485 1.00 0.00 C ATOM 867 C ARG A 59 5.038 17.463 1.424 1.00 0.00 C ATOM 868 O ARG A 59 4.206 18.370 1.455 1.00 0.00 O ATOM 869 CB ARG A 59 7.506 17.504 1.830 1.00 0.00 C ATOM 870 CG ARG A 59 8.645 17.644 2.827 1.00 0.00 C ATOM 871 CD ARG A 59 9.923 18.116 2.151 1.00 0.00 C ATOM 872 NE ARG A 59 10.017 19.573 2.116 1.00 0.00 N ATOM 873 CZ ARG A 59 10.894 20.235 1.370 1.00 0.00 C ATOM 874 NH1 ARG A 59 11.747 19.574 0.599 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.919 21.562 1.392 1.00 0.00 N ATOM 0 H ARG A 59 6.934 15.640 3.361 1.00 0.00 H new ATOM 0 HA ARG A 59 5.993 18.182 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.688 16.631 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.501 18.373 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.362 18.351 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.823 16.686 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.785 17.710 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.961 17.726 1.134 1.00 0.00 H new ATOM 0 HE ARG A 59 9.374 20.112 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.731 18.554 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.419 20.085 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.264 22.075 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.593 22.069 0.819 1.00 0.00 H new ATOM 889 N SER A 60 5.048 16.521 0.487 1.00 0.00 N ATOM 890 CA SER A 60 4.061 16.501 -0.586 1.00 0.00 C ATOM 891 C SER A 60 2.644 16.520 -0.022 1.00 0.00 C ATOM 892 O SER A 60 1.782 17.256 -0.500 1.00 0.00 O ATOM 893 CB SER A 60 4.255 15.263 -1.464 1.00 0.00 C ATOM 894 OG SER A 60 3.809 14.092 -0.801 1.00 0.00 O ATOM 0 H SER A 60 5.728 15.762 0.449 1.00 0.00 H new ATOM 0 HA SER A 60 4.204 17.395 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.707 15.387 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.309 15.159 -1.723 1.00 0.00 H new ATOM 0 HG SER A 60 4.210 14.049 0.092 1.00 0.00 H new ATOM 900 N GLY A 61 2.410 15.703 1.001 1.00 0.00 N ATOM 901 CA GLY A 61 1.096 15.641 1.616 1.00 0.00 C ATOM 902 C GLY A 61 0.173 14.666 0.912 1.00 0.00 C ATOM 903 O GLY A 61 -0.991 14.974 0.662 1.00 0.00 O ATOM 0 H GLY A 61 3.106 15.083 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.200 15.348 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.646 16.634 1.607 1.00 0.00 H new ATOM 907 N GLY A 62 0.695 13.486 0.591 1.00 0.00 N ATOM 908 CA GLY A 62 -0.104 12.482 -0.086 1.00 0.00 C ATOM 909 C GLY A 62 0.031 11.110 0.545 1.00 0.00 C ATOM 910 O GLY A 62 -0.943 10.361 0.634 1.00 0.00 O ATOM 0 H GLY A 62 1.656 13.208 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.151 12.784 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.196 12.428 -1.132 1.00 0.00 H new ATOM 914 N LEU A 63 1.240 10.780 0.985 1.00 0.00 N ATOM 915 CA LEU A 63 1.500 9.488 1.611 1.00 0.00 C ATOM 916 C LEU A 63 1.055 9.490 3.070 1.00 0.00 C ATOM 917 O LEU A 63 0.966 10.544 3.701 1.00 0.00 O ATOM 918 CB LEU A 63 2.988 9.145 1.520 1.00 0.00 C ATOM 919 CG LEU A 63 3.430 8.406 0.257 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.307 9.308 -0.961 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.858 7.901 0.407 1.00 0.00 C ATOM 0 H LEU A 63 2.056 11.389 0.920 1.00 0.00 H new ATOM 0 HA LEU A 63 0.926 8.731 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.559 10.071 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.254 8.537 2.385 1.00 0.00 H new ATOM 0 HG LEU A 63 2.775 7.547 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.626 8.764 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.269 9.620 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.937 10.187 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.156 7.377 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.527 8.745 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.915 7.218 1.255 1.00 0.00 H new ATOM 933 N LEU A 64 0.777 8.304 3.600 1.00 0.00 N ATOM 934 CA LEU A 64 0.344 8.169 4.986 1.00 0.00 C ATOM 935 C LEU A 64 0.737 6.807 5.549 1.00 0.00 C ATOM 936 O LEU A 64 0.794 5.805 4.835 1.00 0.00 O ATOM 937 CB LEU A 64 -1.171 8.358 5.088 1.00 0.00 C ATOM 938 CG LEU A 64 -1.698 9.753 4.750 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.211 9.730 4.601 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.280 10.753 5.818 1.00 0.00 C ATOM 0 H LEU A 64 0.844 7.423 3.091 1.00 0.00 H new ATOM 0 HA LEU A 64 0.841 8.941 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.652 7.639 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.480 8.111 6.104 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.265 10.064 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.568 10.731 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.487 9.044 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.664 9.398 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.663 11.741 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.685 10.446 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.192 10.790 5.876 1.00 0.00 H new ATOM 952 N PRO A 65 1.012 6.765 6.861 1.00 0.00 N ATOM 953 CA PRO A 65 1.402 5.531 7.550 1.00 0.00 C ATOM 954 C PRO A 65 0.248 4.541 7.661 1.00 0.00 C ATOM 955 O PRO A 65 -0.747 4.805 8.334 1.00 0.00 O ATOM 956 CB PRO A 65 1.825 6.018 8.938 1.00 0.00 C ATOM 957 CG PRO A 65 1.080 7.293 9.135 1.00 0.00 C ATOM 958 CD PRO A 65 0.964 7.920 7.774 1.00 0.00 C ATOM 0 HA PRO A 65 2.186 4.995 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.572 5.289 9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.902 6.177 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.095 7.107 9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.609 7.951 9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.034 8.479 7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.779 8.618 7.582 1.00 0.00 H new ATOM 966 N GLY A 66 0.389 3.397 6.997 1.00 0.00 N ATOM 967 CA GLY A 66 -0.649 2.384 7.035 1.00 0.00 C ATOM 968 C GLY A 66 -1.180 2.046 5.656 1.00 0.00 C ATOM 969 O GLY A 66 -1.831 1.018 5.470 1.00 0.00 O ATOM 0 H GLY A 66 1.204 3.154 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.254 1.481 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.470 2.733 7.662 1.00 0.00 H new ATOM 973 N ASP A 67 -0.903 2.912 4.688 1.00 0.00 N ATOM 974 CA ASP A 67 -1.358 2.700 3.319 1.00 0.00 C ATOM 975 C ASP A 67 -0.449 1.714 2.591 1.00 0.00 C ATOM 976 O ASP A 67 0.769 1.731 2.768 1.00 0.00 O ATOM 977 CB ASP A 67 -1.400 4.028 2.562 1.00 0.00 C ATOM 978 CG ASP A 67 -2.411 4.996 3.146 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.378 5.219 4.374 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.234 5.530 2.374 1.00 0.00 O ATOM 0 H ASP A 67 -0.365 3.768 4.826 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.363 2.280 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.411 4.485 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.644 3.839 1.517 1.00 0.00 H new ATOM 985 N ARG A 68 -1.050 0.856 1.774 1.00 0.00 N ATOM 986 CA ARG A 68 -0.295 -0.139 1.021 1.00 0.00 C ATOM 987 C ARG A 68 0.317 0.478 -0.233 1.00 0.00 C ATOM 988 O ARG A 68 -0.384 1.076 -1.050 1.00 0.00 O ATOM 989 CB ARG A 68 -1.199 -1.312 0.637 1.00 0.00 C ATOM 990 CG ARG A 68 -0.502 -2.366 -0.207 1.00 0.00 C ATOM 991 CD ARG A 68 -0.648 -2.077 -1.693 1.00 0.00 C ATOM 992 NE ARG A 68 0.203 -2.942 -2.506 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.120 -4.187 -2.839 1.00 0.00 C ATOM 994 NH1 ARG A 68 -1.269 -4.709 -2.432 1.00 0.00 N ATOM 995 NH2 ARG A 68 0.707 -4.912 -3.582 1.00 0.00 N ATOM 0 H ARG A 68 -2.057 0.829 1.616 1.00 0.00 H new ATOM 0 HA ARG A 68 0.512 -0.504 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.580 -1.779 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.061 -0.931 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.555 -2.403 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.920 -3.347 0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.689 -2.212 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.395 -1.035 -1.886 1.00 0.00 H new ATOM 0 HE ARG A 68 1.094 -2.570 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.908 -4.154 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.514 -5.665 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.591 -4.513 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.458 -5.868 -3.837 1.00 0.00 H new ATOM 1009 N LEU A 69 1.629 0.329 -0.379 1.00 0.00 N ATOM 1010 CA LEU A 69 2.337 0.872 -1.533 1.00 0.00 C ATOM 1011 C LEU A 69 2.274 -0.092 -2.713 1.00 0.00 C ATOM 1012 O LEU A 69 2.646 -1.260 -2.595 1.00 0.00 O ATOM 1013 CB LEU A 69 3.796 1.160 -1.173 1.00 0.00 C ATOM 1014 CG LEU A 69 4.765 1.285 -2.348 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.272 2.328 -3.338 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.161 1.634 -1.853 1.00 0.00 C ATOM 0 H LEU A 69 2.224 -0.163 0.287 1.00 0.00 H new ATOM 0 HA LEU A 69 1.850 1.803 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.832 2.086 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.151 0.365 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 69 4.812 0.323 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.975 2.403 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.293 2.036 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.194 3.294 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.838 1.719 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.130 2.583 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.516 0.851 -1.184 1.00 0.00 H new ATOM 1028 N VAL A 70 1.802 0.405 -3.852 1.00 0.00 N ATOM 1029 CA VAL A 70 1.692 -0.411 -5.055 1.00 0.00 C ATOM 1030 C VAL A 70 3.030 -0.503 -5.780 1.00 0.00 C ATOM 1031 O VAL A 70 3.580 -1.590 -5.955 1.00 0.00 O ATOM 1032 CB VAL A 70 0.635 0.153 -6.022 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.621 -0.639 -7.321 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.740 0.147 -5.370 1.00 0.00 C ATOM 0 H VAL A 70 1.490 1.369 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 70 1.385 -1.407 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 70 0.897 1.185 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.132 -0.225 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.601 -0.578 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.385 -1.682 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.475 0.549 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.012 -0.874 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.719 0.762 -4.471 1.00 0.00 H new ATOM 1044 N SER A 71 3.550 0.646 -6.200 1.00 0.00 N ATOM 1045 CA SER A 71 4.823 0.696 -6.909 1.00 0.00 C ATOM 1046 C SER A 71 5.525 2.029 -6.672 1.00 0.00 C ATOM 1047 O SER A 71 4.924 2.981 -6.175 1.00 0.00 O ATOM 1048 CB SER A 71 4.604 0.481 -8.408 1.00 0.00 C ATOM 1049 OG SER A 71 4.067 -0.805 -8.666 1.00 0.00 O ATOM 0 H SER A 71 3.109 1.555 -6.061 1.00 0.00 H new ATOM 0 HA SER A 71 5.457 -0.102 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.928 1.245 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.550 0.596 -8.937 1.00 0.00 H new ATOM 0 HG SER A 71 3.935 -0.917 -9.631 1.00 0.00 H new ATOM 1055 N VAL A 72 6.803 2.090 -7.033 1.00 0.00 N ATOM 1056 CA VAL A 72 7.589 3.306 -6.861 1.00 0.00 C ATOM 1057 C VAL A 72 8.431 3.595 -8.098 1.00 0.00 C ATOM 1058 O VAL A 72 9.413 2.905 -8.369 1.00 0.00 O ATOM 1059 CB VAL A 72 8.515 3.207 -5.634 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.373 4.457 -5.511 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.701 2.982 -4.369 1.00 0.00 C ATOM 0 H VAL A 72 7.316 1.311 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 72 6.882 4.121 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 72 9.178 2.352 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.021 4.369 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.984 4.569 -6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.730 5.330 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.371 2.914 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.013 3.815 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.135 2.055 -4.461 1.00 0.00 H new ATOM 1071 N ASN A 73 8.041 4.623 -8.846 1.00 0.00 N ATOM 1072 CA ASN A 73 8.761 5.004 -10.056 1.00 0.00 C ATOM 1073 C ASN A 73 8.701 3.892 -11.098 1.00 0.00 C ATOM 1074 O ASN A 73 9.721 3.504 -11.665 1.00 0.00 O ATOM 1075 CB ASN A 73 10.219 5.331 -9.725 1.00 0.00 C ATOM 1076 CG ASN A 73 10.420 6.794 -9.383 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.487 7.480 -8.966 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.644 7.280 -9.558 1.00 0.00 N ATOM 0 H ASN A 73 7.231 5.206 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 73 8.282 5.891 -10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.545 4.716 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.849 5.070 -10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.840 8.258 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.388 6.675 -9.906 1.00 0.00 H new ATOM 1085 N GLU A 74 7.497 3.384 -11.345 1.00 0.00 N ATOM 1086 CA GLU A 74 7.305 2.316 -12.319 1.00 0.00 C ATOM 1087 C GLU A 74 8.028 1.045 -11.883 1.00 0.00 C ATOM 1088 O GLU A 74 8.783 0.452 -12.653 1.00 0.00 O ATOM 1089 CB GLU A 74 7.807 2.755 -13.696 1.00 0.00 C ATOM 1090 CG GLU A 74 7.070 3.959 -14.257 1.00 0.00 C ATOM 1091 CD GLU A 74 7.248 4.105 -15.756 1.00 0.00 C ATOM 1092 OE1 GLU A 74 6.619 3.330 -16.507 1.00 0.00 O ATOM 1093 OE2 GLU A 74 8.017 4.994 -16.178 1.00 0.00 O ATOM 0 H GLU A 74 6.641 3.695 -10.885 1.00 0.00 H new ATOM 0 HA GLU A 74 6.238 2.103 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.869 2.989 -13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.708 1.922 -14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.008 3.870 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.428 4.862 -13.763 1.00 0.00 H new ATOM 1100 N TYR A 75 7.790 0.632 -10.642 1.00 0.00 N ATOM 1101 CA TYR A 75 8.421 -0.566 -10.102 1.00 0.00 C ATOM 1102 C TYR A 75 7.397 -1.446 -9.389 1.00 0.00 C ATOM 1103 O TYR A 75 6.915 -1.105 -8.309 1.00 0.00 O ATOM 1104 CB TYR A 75 9.543 -0.186 -9.135 1.00 0.00 C ATOM 1105 CG TYR A 75 10.879 0.027 -9.812 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.739 -1.040 -10.045 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.281 1.293 -10.217 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.960 -0.851 -10.662 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.500 1.491 -10.836 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.336 0.417 -11.056 1.00 0.00 C ATOM 1111 OH TYR A 75 14.552 0.610 -11.671 1.00 0.00 O ATOM 0 H TYR A 75 7.165 1.109 -9.992 1.00 0.00 H new ATOM 0 HA TYR A 75 8.843 -1.130 -10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.263 0.726 -8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.646 -0.970 -8.385 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.447 -2.034 -9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.630 2.137 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.617 -1.691 -10.835 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.797 2.482 -11.146 1.00 0.00 H new ATOM 0 HH TYR A 75 14.663 1.560 -11.886 1.00 0.00 H new ATOM 1121 N CYS A 76 7.072 -2.578 -10.003 1.00 0.00 N ATOM 1122 CA CYS A 76 6.106 -3.508 -9.428 1.00 0.00 C ATOM 1123 C CYS A 76 6.592 -4.035 -8.083 1.00 0.00 C ATOM 1124 O CYS A 76 7.501 -4.864 -8.020 1.00 0.00 O ATOM 1125 CB CYS A 76 5.857 -4.674 -10.387 1.00 0.00 C ATOM 1126 SG CYS A 76 4.995 -4.209 -11.907 1.00 0.00 S ATOM 0 H CYS A 76 7.462 -2.874 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 76 5.171 -2.970 -9.270 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.814 -5.126 -10.648 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.275 -5.437 -9.871 1.00 0.00 H new ATOM 0 HG CYS A 76 4.833 -5.261 -12.653 1.00 0.00 H new ATOM 1132 N LEU A 77 5.983 -3.549 -7.007 1.00 0.00 N ATOM 1133 CA LEU A 77 6.355 -3.969 -5.661 1.00 0.00 C ATOM 1134 C LEU A 77 5.333 -4.950 -5.095 1.00 0.00 C ATOM 1135 O LEU A 77 5.163 -5.053 -3.880 1.00 0.00 O ATOM 1136 CB LEU A 77 6.476 -2.754 -4.740 1.00 0.00 C ATOM 1137 CG LEU A 77 7.464 -1.673 -5.182 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.516 -0.548 -4.160 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.848 -2.270 -5.391 1.00 0.00 C ATOM 0 H LEU A 77 5.229 -2.863 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 77 7.321 -4.471 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.491 -2.299 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.768 -3.102 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 77 7.121 -1.259 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.224 0.212 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.526 -0.102 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.835 -0.946 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.538 -1.487 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.199 -2.710 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.799 -3.041 -6.160 1.00 0.00 H new ATOM 1151 N ASP A 78 4.657 -5.670 -5.984 1.00 0.00 N ATOM 1152 CA ASP A 78 3.654 -6.646 -5.573 1.00 0.00 C ATOM 1153 C ASP A 78 4.314 -7.919 -5.056 1.00 0.00 C ATOM 1154 O ASP A 78 5.113 -8.543 -5.753 1.00 0.00 O ATOM 1155 CB ASP A 78 2.725 -6.977 -6.742 1.00 0.00 C ATOM 1156 CG ASP A 78 2.147 -5.735 -7.392 1.00 0.00 C ATOM 1157 OD1 ASP A 78 1.849 -4.766 -6.661 1.00 0.00 O ATOM 1158 OD2 ASP A 78 1.992 -5.731 -8.631 1.00 0.00 O ATOM 0 H ASP A 78 4.785 -5.596 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 78 3.067 -6.209 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.275 -7.551 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.912 -7.610 -6.388 1.00 0.00 H new ATOM 1163 N ASN A 79 3.975 -8.299 -3.828 1.00 0.00 N ATOM 1164 CA ASN A 79 4.537 -9.498 -3.216 1.00 0.00 C ATOM 1165 C ASN A 79 6.062 -9.442 -3.210 1.00 0.00 C ATOM 1166 O ASN A 79 6.732 -10.449 -3.444 1.00 0.00 O ATOM 1167 CB ASN A 79 4.064 -10.747 -3.963 1.00 0.00 C ATOM 1168 CG ASN A 79 2.621 -11.094 -3.653 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.306 -11.571 -2.563 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.735 -10.856 -4.614 1.00 0.00 N ATOM 0 H ASN A 79 3.314 -7.794 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 79 4.189 -9.546 -2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.174 -10.589 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.703 -11.590 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.749 -11.070 -4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.041 -10.459 -5.503 1.00 0.00 H new ATOM 1177 N THR A 80 6.604 -8.259 -2.941 1.00 0.00 N ATOM 1178 CA THR A 80 8.049 -8.071 -2.904 1.00 0.00 C ATOM 1179 C THR A 80 8.578 -8.147 -1.477 1.00 0.00 C ATOM 1180 O THR A 80 7.891 -7.765 -0.529 1.00 0.00 O ATOM 1181 CB THR A 80 8.455 -6.718 -3.519 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.063 -6.668 -4.895 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.957 -6.501 -3.406 1.00 0.00 C ATOM 0 H THR A 80 6.064 -7.416 -2.745 1.00 0.00 H new ATOM 0 HA THR A 80 8.487 -8.876 -3.493 1.00 0.00 H new ATOM 0 HB THR A 80 7.947 -5.926 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.766 -6.232 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.220 -5.539 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.248 -6.510 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.481 -7.298 -3.935 1.00 0.00 H new ATOM 1191 N SER A 81 9.803 -8.641 -1.330 1.00 0.00 N ATOM 1192 CA SER A 81 10.423 -8.770 -0.016 1.00 0.00 C ATOM 1193 C SER A 81 10.954 -7.425 0.468 1.00 0.00 C ATOM 1194 O SER A 81 11.601 -6.693 -0.282 1.00 0.00 O ATOM 1195 CB SER A 81 11.559 -9.793 -0.063 1.00 0.00 C ATOM 1196 OG SER A 81 11.064 -11.094 -0.325 1.00 0.00 O ATOM 0 H SER A 81 10.386 -8.959 -2.104 1.00 0.00 H new ATOM 0 HA SER A 81 9.663 -9.114 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.275 -9.511 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.095 -9.789 0.886 1.00 0.00 H new ATOM 0 HG SER A 81 11.810 -11.729 -0.352 1.00 0.00 H new ATOM 1202 N LEU A 82 10.675 -7.104 1.727 1.00 0.00 N ATOM 1203 CA LEU A 82 11.124 -5.846 2.314 1.00 0.00 C ATOM 1204 C LEU A 82 12.485 -5.441 1.757 1.00 0.00 C ATOM 1205 O LEU A 82 12.658 -4.327 1.263 1.00 0.00 O ATOM 1206 CB LEU A 82 11.200 -5.969 3.836 1.00 0.00 C ATOM 1207 CG LEU A 82 11.841 -4.793 4.574 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.159 -3.488 4.193 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.779 -5.010 6.079 1.00 0.00 C ATOM 0 H LEU A 82 10.140 -7.698 2.361 1.00 0.00 H new ATOM 0 HA LEU A 82 10.400 -5.073 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.189 -6.105 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.758 -6.873 4.080 1.00 0.00 H new ATOM 0 HG LEU A 82 12.888 -4.731 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.628 -2.662 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.256 -3.327 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.103 -3.538 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.240 -4.163 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.738 -5.099 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.314 -5.924 6.337 1.00 0.00 H new ATOM 1221 N ALA A 83 13.448 -6.353 1.839 1.00 0.00 N ATOM 1222 CA ALA A 83 14.792 -6.092 1.339 1.00 0.00 C ATOM 1223 C ALA A 83 14.754 -5.575 -0.095 1.00 0.00 C ATOM 1224 O ALA A 83 15.430 -4.604 -0.432 1.00 0.00 O ATOM 1225 CB ALA A 83 15.641 -7.352 1.426 1.00 0.00 C ATOM 0 H ALA A 83 13.322 -7.279 2.247 1.00 0.00 H new ATOM 0 HA ALA A 83 15.242 -5.320 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.642 -7.143 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.705 -7.677 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.185 -8.140 0.827 1.00 0.00 H new ATOM 1231 N GLU A 84 13.959 -6.231 -0.935 1.00 0.00 N ATOM 1232 CA GLU A 84 13.836 -5.837 -2.333 1.00 0.00 C ATOM 1233 C GLU A 84 13.201 -4.455 -2.455 1.00 0.00 C ATOM 1234 O GLU A 84 13.639 -3.628 -3.254 1.00 0.00 O ATOM 1235 CB GLU A 84 13.001 -6.863 -3.103 1.00 0.00 C ATOM 1236 CG GLU A 84 13.825 -7.984 -3.713 1.00 0.00 C ATOM 1237 CD GLU A 84 13.182 -8.573 -4.953 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.714 -7.791 -5.807 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.145 -9.816 -5.070 1.00 0.00 O ATOM 0 H GLU A 84 13.391 -7.037 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 84 14.837 -5.797 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.259 -7.293 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.454 -6.352 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.815 -7.605 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.965 -8.771 -2.972 1.00 0.00 H new ATOM 1246 N ALA A 85 12.167 -4.212 -1.656 1.00 0.00 N ATOM 1247 CA ALA A 85 11.473 -2.931 -1.673 1.00 0.00 C ATOM 1248 C ALA A 85 12.412 -1.793 -1.289 1.00 0.00 C ATOM 1249 O ALA A 85 12.465 -0.764 -1.964 1.00 0.00 O ATOM 1250 CB ALA A 85 10.275 -2.967 -0.736 1.00 0.00 C ATOM 0 H ALA A 85 11.792 -4.886 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 85 11.121 -2.750 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.766 -2.003 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.586 -3.749 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.613 -3.175 0.279 1.00 0.00 H new ATOM 1256 N VAL A 86 13.152 -1.983 -0.202 1.00 0.00 N ATOM 1257 CA VAL A 86 14.091 -0.973 0.271 1.00 0.00 C ATOM 1258 C VAL A 86 15.136 -0.653 -0.791 1.00 0.00 C ATOM 1259 O VAL A 86 15.434 0.512 -1.051 1.00 0.00 O ATOM 1260 CB VAL A 86 14.805 -1.428 1.558 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.909 -0.451 1.930 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.807 -1.577 2.696 1.00 0.00 C ATOM 0 H VAL A 86 13.119 -2.828 0.368 1.00 0.00 H new ATOM 0 HA VAL A 86 13.509 -0.077 0.485 1.00 0.00 H new ATOM 0 HB VAL A 86 15.261 -2.401 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.402 -0.789 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.638 -0.400 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.480 0.537 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.328 -1.899 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.320 -0.619 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.056 -2.320 2.426 1.00 0.00 H new ATOM 1272 N GLU A 87 15.689 -1.696 -1.403 1.00 0.00 N ATOM 1273 CA GLU A 87 16.702 -1.525 -2.437 1.00 0.00 C ATOM 1274 C GLU A 87 16.145 -0.736 -3.619 1.00 0.00 C ATOM 1275 O GLU A 87 16.858 0.047 -4.247 1.00 0.00 O ATOM 1276 CB GLU A 87 17.210 -2.887 -2.914 1.00 0.00 C ATOM 1277 CG GLU A 87 18.292 -3.478 -2.026 1.00 0.00 C ATOM 1278 CD GLU A 87 19.572 -2.666 -2.047 1.00 0.00 C ATOM 1279 OE1 GLU A 87 20.382 -2.859 -2.978 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.765 -1.837 -1.133 1.00 0.00 O ATOM 0 H GLU A 87 15.452 -2.667 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 87 17.533 -0.965 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.371 -3.582 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.598 -2.786 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.923 -3.541 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.507 -4.496 -2.350 1.00 0.00 H new ATOM 1287 N ILE A 88 14.867 -0.948 -3.915 1.00 0.00 N ATOM 1288 CA ILE A 88 14.215 -0.256 -5.020 1.00 0.00 C ATOM 1289 C ILE A 88 14.074 1.234 -4.729 1.00 0.00 C ATOM 1290 O ILE A 88 14.240 2.070 -5.619 1.00 0.00 O ATOM 1291 CB ILE A 88 12.821 -0.845 -5.308 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.951 -2.234 -5.938 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.031 0.084 -6.218 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.797 -3.156 -5.612 1.00 0.00 C ATOM 0 H ILE A 88 14.263 -1.593 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 88 14.848 -0.394 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 88 12.282 -0.943 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.026 -2.128 -7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.879 -2.693 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.048 -0.346 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.914 1.054 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.564 0.211 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.956 -4.122 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.734 -3.293 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.868 -2.719 -5.977 1.00 0.00 H new ATOM 1306 N LEU A 89 13.769 1.561 -3.478 1.00 0.00 N ATOM 1307 CA LEU A 89 13.608 2.952 -3.068 1.00 0.00 C ATOM 1308 C LEU A 89 14.962 3.646 -2.955 1.00 0.00 C ATOM 1309 O LEU A 89 15.067 4.859 -3.137 1.00 0.00 O ATOM 1310 CB LEU A 89 12.869 3.028 -1.731 1.00 0.00 C ATOM 1311 CG LEU A 89 11.345 3.118 -1.811 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.725 2.897 -0.440 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.919 4.464 -2.380 1.00 0.00 C ATOM 0 H LEU A 89 13.628 0.882 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 89 13.020 3.464 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.131 2.148 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.236 3.897 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 89 10.989 2.334 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.640 2.965 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.002 1.910 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.088 3.658 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.831 4.510 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.287 5.264 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.333 4.583 -3.381 1.00 0.00 H new ATOM 1325 N LYS A 90 15.996 2.869 -2.654 1.00 0.00 N ATOM 1326 CA LYS A 90 17.345 3.407 -2.520 1.00 0.00 C ATOM 1327 C LYS A 90 18.013 3.548 -3.884 1.00 0.00 C ATOM 1328 O LYS A 90 18.829 4.444 -4.095 1.00 0.00 O ATOM 1329 CB LYS A 90 18.189 2.503 -1.618 1.00 0.00 C ATOM 1330 CG LYS A 90 17.887 2.669 -0.138 1.00 0.00 C ATOM 1331 CD LYS A 90 18.152 1.386 0.632 1.00 0.00 C ATOM 1332 CE LYS A 90 19.636 1.197 0.908 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.098 2.033 2.050 1.00 0.00 N ATOM 0 H LYS A 90 15.926 1.863 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 90 17.272 4.396 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.021 1.464 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.244 2.714 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.499 3.473 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.846 2.963 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.605 1.407 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.775 0.535 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.835 0.147 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.207 1.453 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.101 2.275 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.534 2.906 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.982 1.503 2.937 1.00 0.00 H new ATOM 1347 N ALA A 91 17.660 2.658 -4.806 1.00 0.00 N ATOM 1348 CA ALA A 91 18.223 2.687 -6.150 1.00 0.00 C ATOM 1349 C ALA A 91 17.474 3.675 -7.038 1.00 0.00 C ATOM 1350 O ALA A 91 17.991 4.118 -8.063 1.00 0.00 O ATOM 1351 CB ALA A 91 18.193 1.295 -6.764 1.00 0.00 C ATOM 0 H ALA A 91 16.987 1.908 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 91 19.259 3.018 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.616 1.331 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.778 0.613 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.163 0.943 -6.817 1.00 0.00 H new ATOM 1357 N VAL A 92 16.253 4.015 -6.638 1.00 0.00 N ATOM 1358 CA VAL A 92 15.433 4.951 -7.398 1.00 0.00 C ATOM 1359 C VAL A 92 16.147 6.287 -7.576 1.00 0.00 C ATOM 1360 O VAL A 92 16.744 6.829 -6.646 1.00 0.00 O ATOM 1361 CB VAL A 92 14.076 5.195 -6.711 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.244 6.103 -5.502 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.079 5.784 -7.696 1.00 0.00 C ATOM 0 H VAL A 92 15.810 3.656 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 92 15.261 4.500 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 92 13.687 4.238 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.275 6.264 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.922 5.636 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.656 7.061 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.126 5.950 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.459 6.733 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.936 5.092 -8.526 1.00 0.00 H new ATOM 1373 N PRO A 93 16.083 6.832 -8.800 1.00 0.00 N ATOM 1374 CA PRO A 93 16.717 8.113 -9.130 1.00 0.00 C ATOM 1375 C PRO A 93 16.021 9.293 -8.461 1.00 0.00 C ATOM 1376 O PRO A 93 14.832 9.247 -8.146 1.00 0.00 O ATOM 1377 CB PRO A 93 16.571 8.199 -10.651 1.00 0.00 C ATOM 1378 CG PRO A 93 15.385 7.355 -10.967 1.00 0.00 C ATOM 1379 CD PRO A 93 15.388 6.242 -9.956 1.00 0.00 C ATOM 0 HA PRO A 93 17.750 8.158 -8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.422 9.229 -10.977 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.464 7.831 -11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.465 7.936 -10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.446 6.961 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.376 5.930 -9.700 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.908 5.361 -10.331 1.00 0.00 H new ATOM 1387 N PRO A 94 16.778 10.378 -8.237 1.00 0.00 N ATOM 1388 CA PRO A 94 16.254 11.592 -7.604 1.00 0.00 C ATOM 1389 C PRO A 94 15.275 12.339 -8.504 1.00 0.00 C ATOM 1390 O PRO A 94 15.108 11.998 -9.674 1.00 0.00 O ATOM 1391 CB PRO A 94 17.508 12.435 -7.362 1.00 0.00 C ATOM 1392 CG PRO A 94 18.483 11.967 -8.387 1.00 0.00 C ATOM 1393 CD PRO A 94 18.203 10.503 -8.587 1.00 0.00 C ATOM 0 HA PRO A 94 15.692 11.369 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.297 13.499 -7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.894 12.290 -6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.363 12.518 -9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.508 12.126 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.393 10.194 -9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.830 9.883 -7.947 1.00 0.00 H new ATOM 1401 N GLY A 95 14.631 13.361 -7.949 1.00 0.00 N ATOM 1402 CA GLY A 95 13.677 14.140 -8.716 1.00 0.00 C ATOM 1403 C GLY A 95 12.248 13.679 -8.505 1.00 0.00 C ATOM 1404 O GLY A 95 11.925 13.085 -7.476 1.00 0.00 O ATOM 0 H GLY A 95 14.753 13.663 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.762 15.190 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.925 14.071 -9.775 1.00 0.00 H new ATOM 1408 N LEU A 96 11.389 13.954 -9.481 1.00 0.00 N ATOM 1409 CA LEU A 96 9.986 13.565 -9.397 1.00 0.00 C ATOM 1410 C LEU A 96 9.850 12.063 -9.166 1.00 0.00 C ATOM 1411 O LEU A 96 10.444 11.258 -9.883 1.00 0.00 O ATOM 1412 CB LEU A 96 9.248 13.965 -10.675 1.00 0.00 C ATOM 1413 CG LEU A 96 7.721 13.940 -10.605 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.230 12.586 -10.118 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.211 15.051 -9.698 1.00 0.00 C ATOM 0 H LEU A 96 11.640 14.445 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 96 9.540 14.086 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.562 14.971 -10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.566 13.299 -11.477 1.00 0.00 H new ATOM 0 HG LEU A 96 7.328 14.106 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.141 12.588 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.565 11.809 -10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.632 12.389 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.122 15.018 -9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.614 14.915 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.532 16.016 -10.090 1.00 0.00 H new ATOM 1427 N VAL A 97 9.063 11.693 -8.161 1.00 0.00 N ATOM 1428 CA VAL A 97 8.846 10.287 -7.838 1.00 0.00 C ATOM 1429 C VAL A 97 7.370 9.920 -7.948 1.00 0.00 C ATOM 1430 O VAL A 97 6.558 10.308 -7.108 1.00 0.00 O ATOM 1431 CB VAL A 97 9.342 9.955 -6.418 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.056 8.500 -6.079 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.826 10.260 -6.288 1.00 0.00 C ATOM 0 H VAL A 97 8.565 12.347 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 97 9.417 9.704 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 97 8.802 10.581 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.413 8.284 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.982 8.319 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.567 7.853 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.160 10.020 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.385 9.661 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.999 11.318 -6.485 1.00 0.00 H new ATOM 1443 N HIS A 98 7.030 9.167 -8.990 1.00 0.00 N ATOM 1444 CA HIS A 98 5.651 8.745 -9.210 1.00 0.00 C ATOM 1445 C HIS A 98 5.392 7.383 -8.573 1.00 0.00 C ATOM 1446 O HIS A 98 5.733 6.345 -9.142 1.00 0.00 O ATOM 1447 CB HIS A 98 5.346 8.687 -10.707 1.00 0.00 C ATOM 1448 CG HIS A 98 5.091 10.031 -11.318 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.787 10.506 -12.410 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.208 11.001 -10.986 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.345 11.711 -12.721 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.386 12.035 -11.872 1.00 0.00 N ATOM 0 H HIS A 98 7.690 8.837 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 98 4.993 9.477 -8.741 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.183 8.216 -11.222 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.474 8.052 -10.868 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.496 10.968 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.706 12.327 -13.531 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.863 12.911 -11.874 1.00 0.00 H new ATOM 1461 N LEU A 99 4.788 7.394 -7.390 1.00 0.00 N ATOM 1462 CA LEU A 99 4.483 6.159 -6.675 1.00 0.00 C ATOM 1463 C LEU A 99 3.008 6.102 -6.290 1.00 0.00 C ATOM 1464 O LEU A 99 2.436 7.093 -5.839 1.00 0.00 O ATOM 1465 CB LEU A 99 5.354 6.044 -5.423 1.00 0.00 C ATOM 1466 CG LEU A 99 5.395 7.276 -4.518 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.265 7.228 -3.501 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.741 7.378 -3.817 1.00 0.00 C ATOM 0 H LEU A 99 4.500 8.244 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 99 4.698 5.321 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.000 5.198 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.373 5.812 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 99 5.262 8.163 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.310 8.112 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.308 7.203 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.367 6.334 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.752 8.260 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.903 6.488 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.533 7.459 -4.561 1.00 0.00 H new ATOM 1480 N GLY A 100 2.399 4.934 -6.470 1.00 0.00 N ATOM 1481 CA GLY A 100 0.997 4.769 -6.135 1.00 0.00 C ATOM 1482 C GLY A 100 0.788 4.404 -4.679 1.00 0.00 C ATOM 1483 O GLY A 100 1.719 3.963 -4.003 1.00 0.00 O ATOM 0 H GLY A 100 2.852 4.099 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.463 5.693 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.565 3.993 -6.767 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.435 4.589 -4.193 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.761 4.276 -2.808 1.00 0.00 C ATOM 1489 C ILE A 101 -2.174 3.713 -2.690 1.00 0.00 C ATOM 1490 O ILE A 101 -3.072 4.101 -3.438 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.639 5.518 -1.906 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.753 6.139 -2.042 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.921 5.151 -0.457 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.860 5.266 -1.492 1.00 0.00 C ATOM 0 H ILE A 101 -1.216 4.954 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.044 3.525 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.378 6.253 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.950 6.342 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.766 7.098 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.831 6.040 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.931 4.750 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.204 4.400 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.818 5.769 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.687 5.084 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.873 4.316 -2.026 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.363 2.799 -1.745 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.668 2.184 -1.527 1.00 0.00 C ATOM 1508 C CYS A 102 -4.217 2.546 -0.151 1.00 0.00 C ATOM 1509 O CYS A 102 -3.675 2.133 0.874 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.567 0.664 -1.665 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.854 0.055 -3.344 1.00 0.00 S ATOM 0 H CYS A 102 -1.630 2.467 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.353 2.566 -2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.577 0.345 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.289 0.200 -0.993 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.745 -1.240 -3.360 1.00 0.00 H new ATOM 1517 N SER A 103 -5.296 3.322 -0.136 1.00 0.00 N ATOM 1518 CA SER A 103 -5.917 3.745 1.114 1.00 0.00 C ATOM 1519 C SER A 103 -6.059 2.568 2.075 1.00 0.00 C ATOM 1520 O SER A 103 -6.727 1.581 1.771 1.00 0.00 O ATOM 1521 CB SER A 103 -7.288 4.365 0.843 1.00 0.00 C ATOM 1522 OG SER A 103 -7.788 5.022 1.995 1.00 0.00 O ATOM 0 H SER A 103 -5.759 3.671 -0.976 1.00 0.00 H new ATOM 0 HA SER A 103 -5.273 4.494 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.213 5.075 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.987 3.588 0.532 1.00 0.00 H new ATOM 0 HG SER A 103 -8.665 5.411 1.795 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.424 2.682 3.238 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.491 1.622 4.227 1.00 0.00 C ATOM 1530 C GLY A 104 -5.824 2.141 5.611 1.00 0.00 C ATOM 1531 O GLY A 104 -6.384 3.225 5.773 1.00 0.00 O ATOM 0 H GLY A 104 -4.865 3.489 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.244 0.894 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.536 1.098 4.259 1.00 0.00 H new