USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 CYS SG : rot 40:sc= -4.19 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -5.09! C(o=-9.3!,f=-9.1!) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-3.1!) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 13 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 15 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.4!) USER MOD Single : A 19 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.8!) USER MOD Single : A 20 SER OG : rot -53:sc= 0.0298 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 23:sc= 0.203 USER MOD Single : A 27 CYS SG : rot -135:sc= -1.2! USER MOD Single : A 28 SER OG : rot 33:sc= 0.252 USER MOD Single : A 32 ASN : amide:sc= -0.673 K(o=-0.67,f=-0.046) USER MOD Single : A 33 HIS : no HE2:sc= -4.45! C(o=-4.5!,f=-8.4!) USER MOD Single : A 38 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 48 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.29) USER MOD Single : A 51 SER OG : rot 42:sc= 0.97 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-1.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -93:sc= 1.03 USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -0.308 (180deg=-1.75) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 171:sc= -1.7 (180deg=-2.15!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -46:sc= 0.212 USER MOD Single : A 100 SER OG : rot 4:sc= -0.291 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -4.204 -10.548 6.685 1.00 0.00 N ATOM 137 CA TYR A 13 -3.645 -11.380 5.626 1.00 0.00 C ATOM 138 C TYR A 13 -4.150 -10.932 4.257 1.00 0.00 C ATOM 139 O TYR A 13 -5.321 -11.118 3.923 1.00 0.00 O ATOM 140 CB TYR A 13 -4.005 -12.849 5.858 1.00 0.00 C ATOM 141 CG TYR A 13 -3.704 -13.741 4.675 1.00 0.00 C ATOM 142 CD1 TYR A 13 -4.605 -13.861 3.624 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.520 -14.463 4.608 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.335 -14.675 2.541 1.00 0.00 C ATOM 145 CE2 TYR A 13 -2.240 -15.279 3.529 1.00 0.00 C ATOM 146 CZ TYR A 13 -3.151 -15.382 2.498 1.00 0.00 C ATOM 147 OH TYR A 13 -2.877 -16.194 1.422 1.00 0.00 O ATOM 0 HA TYR A 13 -2.561 -11.270 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.458 -13.215 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.066 -12.921 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.532 -13.308 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.805 -14.385 5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.047 -14.757 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.314 -15.833 3.493 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.309 -15.832 0.620 1.00 0.00 H new ATOM 157 N LEU A 14 -3.259 -10.340 3.470 1.00 0.00 N ATOM 158 CA LEU A 14 -3.612 -9.865 2.137 1.00 0.00 C ATOM 159 C LEU A 14 -2.700 -10.480 1.080 1.00 0.00 C ATOM 160 O LEU A 14 -1.616 -10.971 1.392 1.00 0.00 O ATOM 161 CB LEU A 14 -3.522 -8.339 2.078 1.00 0.00 C ATOM 162 CG LEU A 14 -4.672 -7.573 2.733 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.502 -6.076 2.529 1.00 0.00 C ATOM 164 CD2 LEU A 14 -6.010 -8.041 2.177 1.00 0.00 C ATOM 0 H LEU A 14 -2.287 -10.177 3.732 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.637 -10.171 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.590 -8.031 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.461 -8.039 1.032 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.655 -7.777 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.330 -5.548 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.562 -5.752 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.492 -5.853 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.817 -7.485 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.037 -7.868 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.135 -9.105 2.377 1.00 0.00 H new ATOM 176 N ASN A 15 -3.147 -10.448 -0.171 1.00 0.00 N ATOM 177 CA ASN A 15 -2.371 -11.001 -1.275 1.00 0.00 C ATOM 178 C ASN A 15 -1.811 -9.890 -2.157 1.00 0.00 C ATOM 179 O ASN A 15 -2.560 -9.176 -2.825 1.00 0.00 O ATOM 180 CB ASN A 15 -3.236 -11.946 -2.111 1.00 0.00 C ATOM 181 CG ASN A 15 -3.152 -13.383 -1.634 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.234 -13.752 -0.901 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.112 -14.201 -2.048 1.00 0.00 N ATOM 0 H ASN A 15 -4.043 -10.045 -0.446 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.536 -11.561 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.273 -11.614 -2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.923 -11.894 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.108 -15.179 -1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.853 -13.851 -2.655 1.00 0.00 H new ATOM 190 N VAL A 16 -0.489 -9.749 -2.157 1.00 0.00 N ATOM 191 CA VAL A 16 0.171 -8.726 -2.958 1.00 0.00 C ATOM 192 C VAL A 16 0.653 -9.296 -4.288 1.00 0.00 C ATOM 193 O VAL A 16 1.388 -10.284 -4.323 1.00 0.00 O ATOM 194 CB VAL A 16 1.370 -8.114 -2.210 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.041 -7.046 -3.060 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.927 -7.542 -0.872 1.00 0.00 C ATOM 0 H VAL A 16 0.146 -10.331 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.567 -7.946 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 16 2.098 -8.902 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.886 -6.625 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.394 -7.490 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.324 -6.256 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.787 -7.114 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.180 -6.766 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.497 -8.336 -0.261 1.00 0.00 H new ATOM 206 N LEU A 17 0.235 -8.667 -5.381 1.00 0.00 N ATOM 207 CA LEU A 17 0.624 -9.111 -6.715 1.00 0.00 C ATOM 208 C LEU A 17 1.980 -8.533 -7.107 1.00 0.00 C ATOM 209 O LEU A 17 2.165 -7.316 -7.128 1.00 0.00 O ATOM 210 CB LEU A 17 -0.435 -8.700 -7.740 1.00 0.00 C ATOM 211 CG LEU A 17 -0.384 -9.425 -9.085 1.00 0.00 C ATOM 212 CD1 LEU A 17 -0.953 -10.829 -8.955 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.140 -8.637 -10.144 1.00 0.00 C ATOM 0 H LEU A 17 -0.373 -7.848 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 17 0.704 -10.198 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.419 -8.861 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.339 -7.630 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 17 0.658 -9.504 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.909 -11.330 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.369 -11.392 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.990 -10.772 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.093 -9.168 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.181 -8.526 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.688 -7.651 -10.256 1.00 0.00 H new ATOM 225 N VAL A 18 2.925 -9.414 -7.419 1.00 0.00 N ATOM 226 CA VAL A 18 4.263 -8.991 -7.814 1.00 0.00 C ATOM 227 C VAL A 18 4.589 -9.450 -9.231 1.00 0.00 C ATOM 228 O VAL A 18 4.532 -8.665 -10.177 1.00 0.00 O ATOM 229 CB VAL A 18 5.333 -9.540 -6.851 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.728 -9.190 -7.346 1.00 0.00 C ATOM 231 CG2 VAL A 18 5.107 -9.005 -5.445 1.00 0.00 C ATOM 0 H VAL A 18 2.789 -10.425 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 18 4.274 -7.902 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 18 5.247 -10.626 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.470 -9.586 -6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.884 -9.626 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.831 -8.107 -7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.871 -9.402 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.165 -7.917 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.122 -9.312 -5.093 1.00 0.00 H new ATOM 241 N ASN A 19 4.929 -10.727 -9.371 1.00 0.00 N ATOM 242 CA ASN A 19 5.264 -11.291 -10.673 1.00 0.00 C ATOM 243 C ASN A 19 4.066 -12.022 -11.274 1.00 0.00 C ATOM 244 O ASN A 19 3.994 -13.250 -11.239 1.00 0.00 O ATOM 245 CB ASN A 19 6.449 -12.250 -10.548 1.00 0.00 C ATOM 246 CG ASN A 19 7.745 -11.528 -10.231 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.739 -10.358 -9.848 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.864 -12.226 -10.389 1.00 0.00 N ATOM 0 H ASN A 19 4.980 -11.391 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 19 5.538 -10.470 -11.336 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.242 -12.980 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.564 -12.805 -11.479 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.767 -11.794 -10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.821 -13.194 -10.709 1.00 0.00 H new ATOM 255 N SER A 20 3.129 -11.257 -11.824 1.00 0.00 N ATOM 256 CA SER A 20 1.933 -11.830 -12.430 1.00 0.00 C ATOM 257 C SER A 20 1.351 -12.931 -11.547 1.00 0.00 C ATOM 258 O SER A 20 0.661 -13.828 -12.030 1.00 0.00 O ATOM 259 CB SER A 20 2.256 -12.391 -13.816 1.00 0.00 C ATOM 260 OG SER A 20 1.092 -12.459 -14.622 1.00 0.00 O ATOM 0 H SER A 20 3.175 -10.239 -11.863 1.00 0.00 H new ATOM 0 HA SER A 20 1.191 -11.037 -12.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.002 -11.762 -14.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.692 -13.385 -13.717 1.00 0.00 H new ATOM 0 HG SER A 20 0.391 -12.950 -14.144 1.00 0.00 H new ATOM 266 N GLN A 21 1.636 -12.853 -10.251 1.00 0.00 N ATOM 267 CA GLN A 21 1.142 -13.842 -9.301 1.00 0.00 C ATOM 268 C GLN A 21 0.920 -13.215 -7.928 1.00 0.00 C ATOM 269 O GLN A 21 1.676 -12.339 -7.506 1.00 0.00 O ATOM 270 CB GLN A 21 2.125 -15.009 -9.189 1.00 0.00 C ATOM 271 CG GLN A 21 1.845 -16.136 -10.169 1.00 0.00 C ATOM 272 CD GLN A 21 2.682 -17.370 -9.894 1.00 0.00 C ATOM 273 OE1 GLN A 21 3.910 -17.300 -9.834 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.021 -18.509 -9.725 1.00 0.00 N ATOM 0 H GLN A 21 2.206 -12.116 -9.836 1.00 0.00 H new ATOM 0 HA GLN A 21 0.186 -14.216 -9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.137 -14.638 -9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.092 -15.405 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.789 -16.400 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.041 -15.788 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.003 -18.521 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.531 -19.372 -9.537 1.00 0.00 H new ATOM 283 N TRP A 22 -0.119 -13.669 -7.237 1.00 0.00 N ATOM 284 CA TRP A 22 -0.440 -13.151 -5.912 1.00 0.00 C ATOM 285 C TRP A 22 0.415 -13.824 -4.843 1.00 0.00 C ATOM 286 O TRP A 22 0.383 -15.044 -4.686 1.00 0.00 O ATOM 287 CB TRP A 22 -1.923 -13.363 -5.604 1.00 0.00 C ATOM 288 CG TRP A 22 -2.835 -12.670 -6.570 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.307 -13.165 -7.752 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.384 -11.354 -6.437 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.115 -12.236 -8.362 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.179 -11.117 -7.575 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.282 -10.353 -5.467 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.866 -9.921 -7.767 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.964 -9.167 -5.659 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.749 -8.959 -6.801 1.00 0.00 C ATOM 0 H TRP A 22 -0.753 -14.394 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.224 -12.083 -5.905 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.140 -14.431 -5.613 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.132 -13.004 -4.596 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.079 -14.143 -8.149 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.590 -12.360 -9.256 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.681 -10.504 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.470 -9.758 -8.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.891 -8.387 -4.916 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.272 -8.022 -6.921 1.00 0.00 H new ATOM 307 N LYS A 23 1.179 -13.021 -4.110 1.00 0.00 N ATOM 308 CA LYS A 23 2.041 -13.538 -3.055 1.00 0.00 C ATOM 309 C LYS A 23 1.518 -13.137 -1.679 1.00 0.00 C ATOM 310 O LYS A 23 1.326 -11.954 -1.398 1.00 0.00 O ATOM 311 CB LYS A 23 3.471 -13.023 -3.238 1.00 0.00 C ATOM 312 CG LYS A 23 3.966 -13.101 -4.672 1.00 0.00 C ATOM 313 CD LYS A 23 5.478 -12.976 -4.747 1.00 0.00 C ATOM 314 CE LYS A 23 6.052 -13.820 -5.876 1.00 0.00 C ATOM 315 NZ LYS A 23 7.539 -13.764 -5.909 1.00 0.00 N ATOM 0 H LYS A 23 1.218 -12.009 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 23 2.041 -14.626 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.521 -11.988 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.140 -13.599 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.656 -14.048 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.505 -12.308 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.751 -11.931 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.917 -13.287 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.730 -14.854 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.654 -13.471 -6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.891 -14.352 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.846 -12.780 -6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.920 -14.121 -5.010 1.00 0.00 H new ATOM 329 N SER A 24 1.291 -14.130 -0.825 1.00 0.00 N ATOM 330 CA SER A 24 0.788 -13.880 0.521 1.00 0.00 C ATOM 331 C SER A 24 1.870 -13.258 1.398 1.00 0.00 C ATOM 332 O SER A 24 2.980 -13.781 1.500 1.00 0.00 O ATOM 333 CB SER A 24 0.291 -15.182 1.152 1.00 0.00 C ATOM 334 OG SER A 24 1.358 -16.093 1.351 1.00 0.00 O ATOM 0 H SER A 24 1.447 -15.115 -1.041 1.00 0.00 H new ATOM 0 HA SER A 24 -0.044 -13.179 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.190 -14.967 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.464 -15.636 0.510 1.00 0.00 H new ATOM 0 HG SER A 24 2.205 -15.601 1.392 1.00 0.00 H new ATOM 340 N ARG A 25 1.537 -12.137 2.031 1.00 0.00 N ATOM 341 CA ARG A 25 2.480 -11.441 2.899 1.00 0.00 C ATOM 342 C ARG A 25 1.744 -10.657 3.981 1.00 0.00 C ATOM 343 O ARG A 25 0.598 -10.249 3.795 1.00 0.00 O ATOM 344 CB ARG A 25 3.360 -10.496 2.078 1.00 0.00 C ATOM 345 CG ARG A 25 2.688 -9.174 1.744 1.00 0.00 C ATOM 346 CD ARG A 25 2.925 -8.138 2.831 1.00 0.00 C ATOM 347 NE ARG A 25 2.496 -6.804 2.420 1.00 0.00 N ATOM 348 CZ ARG A 25 1.226 -6.471 2.218 1.00 0.00 C ATOM 349 NH1 ARG A 25 0.266 -7.369 2.390 1.00 0.00 N ATOM 350 NH2 ARG A 25 0.914 -5.236 1.844 1.00 0.00 N ATOM 0 H ARG A 25 0.622 -11.692 1.959 1.00 0.00 H new ATOM 0 HA ARG A 25 3.112 -12.187 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.279 -10.298 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.646 -10.993 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.070 -8.800 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.617 -9.331 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.387 -8.430 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.985 -8.115 3.085 1.00 0.00 H new ATOM 0 HE ARG A 25 3.210 -6.089 2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.502 -8.319 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.708 -7.110 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.650 -4.542 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.061 -4.981 1.689 1.00 0.00 H new ATOM 364 N TRP A 26 2.411 -10.451 5.111 1.00 0.00 N ATOM 365 CA TRP A 26 1.820 -9.716 6.224 1.00 0.00 C ATOM 366 C TRP A 26 1.833 -8.216 5.954 1.00 0.00 C ATOM 367 O TRP A 26 2.885 -7.632 5.690 1.00 0.00 O ATOM 368 CB TRP A 26 2.574 -10.020 7.520 1.00 0.00 C ATOM 369 CG TRP A 26 1.946 -9.400 8.732 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.729 -8.070 8.952 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.457 -10.086 9.889 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.134 -7.887 10.177 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.956 -9.109 10.772 1.00 0.00 C ATOM 374 CE3 TRP A 26 1.392 -11.430 10.265 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.399 -9.436 12.005 1.00 0.00 C ATOM 376 CZ3 TRP A 26 0.839 -11.753 11.490 1.00 0.00 C ATOM 377 CH2 TRP A 26 0.348 -10.759 12.348 1.00 0.00 C ATOM 0 H TRP A 26 3.361 -10.782 5.281 1.00 0.00 H new ATOM 0 HA TRP A 26 0.784 -10.038 6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.624 -11.100 7.658 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.600 -9.662 7.428 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.987 -7.278 8.264 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.868 -6.988 10.578 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.767 -12.203 9.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.020 -8.672 12.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.784 -12.789 11.791 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -0.079 -11.043 13.298 1.00 0.00 H new ATOM 388 N CYS A 27 0.659 -7.597 6.021 1.00 0.00 N ATOM 389 CA CYS A 27 0.536 -6.164 5.782 1.00 0.00 C ATOM 390 C CYS A 27 0.616 -5.386 7.091 1.00 0.00 C ATOM 391 O CYS A 27 0.180 -5.865 8.138 1.00 0.00 O ATOM 392 CB CYS A 27 -0.783 -5.855 5.072 1.00 0.00 C ATOM 393 SG CYS A 27 -1.246 -4.108 5.099 1.00 0.00 S ATOM 0 H CYS A 27 -0.221 -8.065 6.239 1.00 0.00 H new ATOM 0 HA CYS A 27 1.364 -5.855 5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.711 -6.184 4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.578 -6.438 5.537 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.506 -3.998 5.399 1.00 0.00 H new ATOM 399 N SER A 28 1.178 -4.183 7.025 1.00 0.00 N ATOM 400 CA SER A 28 1.322 -3.340 8.207 1.00 0.00 C ATOM 401 C SER A 28 1.388 -1.866 7.818 1.00 0.00 C ATOM 402 O SER A 28 2.357 -1.416 7.207 1.00 0.00 O ATOM 403 CB SER A 28 2.578 -3.730 8.988 1.00 0.00 C ATOM 404 OG SER A 28 2.286 -4.714 9.965 1.00 0.00 O ATOM 0 H SER A 28 1.541 -3.770 6.166 1.00 0.00 H new ATOM 0 HA SER A 28 0.448 -3.492 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.334 -4.109 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.999 -2.848 9.470 1.00 0.00 H new ATOM 0 HG SER A 28 1.571 -5.298 9.637 1.00 0.00 H new ATOM 410 N VAL A 29 0.348 -1.119 8.177 1.00 0.00 N ATOM 411 CA VAL A 29 0.287 0.304 7.868 1.00 0.00 C ATOM 412 C VAL A 29 0.613 1.148 9.095 1.00 0.00 C ATOM 413 O VAL A 29 0.141 0.867 10.197 1.00 0.00 O ATOM 414 CB VAL A 29 -1.103 0.704 7.337 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.185 2.209 7.137 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.411 -0.033 6.043 1.00 0.00 C ATOM 0 H VAL A 29 -0.463 -1.476 8.682 1.00 0.00 H new ATOM 0 HA VAL A 29 1.031 0.492 7.094 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.852 0.419 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.174 2.473 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.012 2.712 8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.428 2.522 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.396 0.262 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.660 0.218 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.397 -1.108 6.224 1.00 0.00 H new ATOM 426 N ARG A 30 1.423 2.183 8.896 1.00 0.00 N ATOM 427 CA ARG A 30 1.813 3.068 9.987 1.00 0.00 C ATOM 428 C ARG A 30 2.555 4.291 9.457 1.00 0.00 C ATOM 429 O ARG A 30 3.371 4.185 8.541 1.00 0.00 O ATOM 430 CB ARG A 30 2.692 2.319 10.990 1.00 0.00 C ATOM 431 CG ARG A 30 2.815 3.018 12.334 1.00 0.00 C ATOM 432 CD ARG A 30 3.898 2.387 13.194 1.00 0.00 C ATOM 433 NE ARG A 30 3.499 1.077 13.703 1.00 0.00 N ATOM 434 CZ ARG A 30 2.536 0.899 14.600 1.00 0.00 C ATOM 435 NH1 ARG A 30 1.877 1.942 15.086 1.00 0.00 N ATOM 436 NH2 ARG A 30 2.230 -0.324 15.014 1.00 0.00 N ATOM 0 H ARG A 30 1.822 2.429 7.990 1.00 0.00 H new ATOM 0 HA ARG A 30 0.906 3.405 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.282 1.321 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.687 2.192 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.042 4.073 12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.860 2.972 12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.812 2.286 12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.127 3.047 14.031 1.00 0.00 H new ATOM 0 HE ARG A 30 3.987 0.254 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.109 2.884 14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.138 1.802 15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.735 -1.129 14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.490 -0.459 15.703 1.00 0.00 H new ATOM 450 N ASP A 31 2.266 5.450 10.037 1.00 0.00 N ATOM 451 CA ASP A 31 2.906 6.693 9.623 1.00 0.00 C ATOM 452 C ASP A 31 2.550 7.033 8.179 1.00 0.00 C ATOM 453 O ASP A 31 3.380 7.544 7.429 1.00 0.00 O ATOM 454 CB ASP A 31 4.424 6.585 9.775 1.00 0.00 C ATOM 455 CG ASP A 31 5.098 7.942 9.833 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.656 8.790 10.635 1.00 0.00 O ATOM 457 OD2 ASP A 31 6.068 8.155 9.075 1.00 0.00 O ATOM 0 H ASP A 31 1.592 5.555 10.796 1.00 0.00 H new ATOM 0 HA ASP A 31 2.540 7.493 10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.657 6.028 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.830 6.016 8.939 1.00 0.00 H new ATOM 462 N ASN A 32 1.310 6.745 7.797 1.00 0.00 N ATOM 463 CA ASN A 32 0.844 7.019 6.443 1.00 0.00 C ATOM 464 C ASN A 32 1.698 6.283 5.415 1.00 0.00 C ATOM 465 O ASN A 32 2.090 6.853 4.395 1.00 0.00 O ATOM 466 CB ASN A 32 0.875 8.524 6.165 1.00 0.00 C ATOM 467 CG ASN A 32 -0.160 9.282 6.973 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.174 10.185 7.740 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.426 8.918 6.803 1.00 0.00 N ATOM 0 H ASN A 32 0.610 6.322 8.406 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.182 6.662 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.867 8.913 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.702 8.698 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.167 9.393 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.657 8.164 6.156 1.00 0.00 H new ATOM 476 N HIS A 33 1.983 5.014 5.689 1.00 0.00 N ATOM 477 CA HIS A 33 2.790 4.199 4.788 1.00 0.00 C ATOM 478 C HIS A 33 2.453 2.720 4.945 1.00 0.00 C ATOM 479 O HIS A 33 2.272 2.228 6.060 1.00 0.00 O ATOM 480 CB HIS A 33 4.278 4.427 5.055 1.00 0.00 C ATOM 481 CG HIS A 33 4.828 5.645 4.380 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.557 6.928 4.805 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.640 5.770 3.304 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.177 7.790 4.020 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.842 7.113 3.101 1.00 0.00 N ATOM 0 H HIS A 33 1.667 4.528 6.528 1.00 0.00 H new ATOM 0 HA HIS A 33 2.563 4.498 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.437 4.515 6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.837 3.553 4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.969 7.173 5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.052 4.964 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.146 8.866 4.113 1.00 0.00 H new ATOM 494 N LEU A 34 2.369 2.015 3.822 1.00 0.00 N ATOM 495 CA LEU A 34 2.053 0.590 3.835 1.00 0.00 C ATOM 496 C LEU A 34 3.325 -0.250 3.798 1.00 0.00 C ATOM 497 O LEU A 34 3.981 -0.357 2.761 1.00 0.00 O ATOM 498 CB LEU A 34 1.159 0.236 2.646 1.00 0.00 C ATOM 499 CG LEU A 34 1.082 -1.248 2.283 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.917 -2.096 3.534 1.00 0.00 C ATOM 501 CD2 LEU A 34 -0.061 -1.500 1.311 1.00 0.00 C ATOM 0 H LEU A 34 2.515 2.406 2.891 1.00 0.00 H new ATOM 0 HA LEU A 34 1.521 0.369 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.150 0.591 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.514 0.785 1.774 1.00 0.00 H new ATOM 0 HG LEU A 34 2.015 -1.532 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.864 -3.149 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.769 -1.938 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.000 -1.810 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.101 -2.561 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.002 -1.199 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.100 -0.921 0.402 1.00 0.00 H new ATOM 513 N HIS A 35 3.667 -0.847 4.935 1.00 0.00 N ATOM 514 CA HIS A 35 4.860 -1.681 5.032 1.00 0.00 C ATOM 515 C HIS A 35 4.552 -3.119 4.625 1.00 0.00 C ATOM 516 O HIS A 35 3.438 -3.606 4.822 1.00 0.00 O ATOM 517 CB HIS A 35 5.416 -1.650 6.456 1.00 0.00 C ATOM 518 CG HIS A 35 6.127 -0.376 6.793 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.475 -0.186 6.575 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.669 0.777 7.335 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.816 1.028 6.969 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.738 1.633 7.434 1.00 0.00 N ATOM 0 H HIS A 35 3.135 -0.769 5.802 1.00 0.00 H new ATOM 0 HA HIS A 35 5.609 -1.281 4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.597 -1.797 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.103 -2.486 6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.652 0.985 7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.807 1.453 6.919 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.705 2.582 7.806 1.00 0.00 H new ATOM 531 N PHE A 36 5.545 -3.794 4.056 1.00 0.00 N ATOM 532 CA PHE A 36 5.380 -5.176 3.620 1.00 0.00 C ATOM 533 C PHE A 36 6.166 -6.127 4.517 1.00 0.00 C ATOM 534 O PHE A 36 7.336 -5.888 4.820 1.00 0.00 O ATOM 535 CB PHE A 36 5.835 -5.332 2.168 1.00 0.00 C ATOM 536 CG PHE A 36 4.875 -4.747 1.172 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.722 -3.374 1.061 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.125 -5.570 0.347 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.840 -2.833 0.146 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.241 -5.034 -0.570 1.00 0.00 C ATOM 541 CZ PHE A 36 3.097 -3.664 -0.670 1.00 0.00 C ATOM 0 H PHE A 36 6.473 -3.406 3.886 1.00 0.00 H new ATOM 0 HA PHE A 36 4.322 -5.430 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.807 -4.854 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.971 -6.391 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.299 -2.719 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.233 -6.642 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.731 -1.761 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.663 -5.686 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.405 -3.243 -1.385 1.00 0.00 H new ATOM 551 N TYR A 37 5.516 -7.206 4.939 1.00 0.00 N ATOM 552 CA TYR A 37 6.152 -8.192 5.804 1.00 0.00 C ATOM 553 C TYR A 37 5.669 -9.601 5.472 1.00 0.00 C ATOM 554 O TYR A 37 4.711 -9.778 4.720 1.00 0.00 O ATOM 555 CB TYR A 37 5.865 -7.875 7.272 1.00 0.00 C ATOM 556 CG TYR A 37 6.332 -6.502 7.698 1.00 0.00 C ATOM 557 CD1 TYR A 37 7.663 -6.268 8.020 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.442 -5.438 7.780 1.00 0.00 C ATOM 559 CE1 TYR A 37 8.094 -5.015 8.410 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.864 -4.181 8.167 1.00 0.00 C ATOM 561 CZ TYR A 37 7.192 -3.975 8.482 1.00 0.00 C ATOM 562 OH TYR A 37 7.616 -2.725 8.870 1.00 0.00 O ATOM 0 H TYR A 37 4.549 -7.420 4.696 1.00 0.00 H new ATOM 0 HA TYR A 37 7.228 -8.147 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.793 -7.956 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.349 -8.625 7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.373 -7.080 7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.402 -5.597 7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.132 -4.851 8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.159 -3.364 8.223 1.00 0.00 H new ATOM 0 HH TYR A 37 6.856 -2.106 8.867 1.00 0.00 H new ATOM 572 N GLN A 38 6.339 -10.599 6.039 1.00 0.00 N ATOM 573 CA GLN A 38 5.978 -11.991 5.803 1.00 0.00 C ATOM 574 C GLN A 38 5.720 -12.717 7.120 1.00 0.00 C ATOM 575 O GLN A 38 4.657 -13.306 7.318 1.00 0.00 O ATOM 576 CB GLN A 38 7.085 -12.702 5.023 1.00 0.00 C ATOM 577 CG GLN A 38 7.280 -12.164 3.615 1.00 0.00 C ATOM 578 CD GLN A 38 8.273 -12.979 2.811 1.00 0.00 C ATOM 579 OE1 GLN A 38 8.015 -14.135 2.473 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.416 -12.380 2.499 1.00 0.00 N ATOM 0 H GLN A 38 7.134 -10.469 6.665 1.00 0.00 H new ATOM 0 HA GLN A 38 5.061 -12.008 5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.022 -12.608 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.853 -13.766 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.321 -12.154 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.623 -11.131 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.588 -11.421 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.122 -12.879 1.958 1.00 0.00 H new ATOM 712 N ALA A 46 9.008 -8.557 3.481 1.00 0.00 N ATOM 713 CA ALA A 46 8.540 -8.868 2.137 1.00 0.00 C ATOM 714 C ALA A 46 9.195 -7.958 1.103 1.00 0.00 C ATOM 715 O ALA A 46 9.774 -8.431 0.125 1.00 0.00 O ATOM 716 CB ALA A 46 7.025 -8.746 2.064 1.00 0.00 C ATOM 0 HA ALA A 46 8.823 -9.896 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.689 -8.981 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.570 -9.442 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.729 -7.728 2.317 1.00 0.00 H new ATOM 722 N GLN A 47 9.100 -6.651 1.326 1.00 0.00 N ATOM 723 CA GLN A 47 9.683 -5.676 0.413 1.00 0.00 C ATOM 724 C GLN A 47 9.541 -4.261 0.963 1.00 0.00 C ATOM 725 O GLN A 47 8.833 -4.036 1.945 1.00 0.00 O ATOM 726 CB GLN A 47 9.017 -5.771 -0.961 1.00 0.00 C ATOM 727 CG GLN A 47 7.519 -5.515 -0.930 1.00 0.00 C ATOM 728 CD GLN A 47 6.926 -5.354 -2.316 1.00 0.00 C ATOM 729 OE1 GLN A 47 7.384 -4.530 -3.108 1.00 0.00 O ATOM 730 NE2 GLN A 47 5.901 -6.142 -2.617 1.00 0.00 N ATOM 0 H GLN A 47 8.625 -6.243 2.131 1.00 0.00 H new ATOM 0 HA GLN A 47 10.745 -5.901 0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.486 -5.053 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.199 -6.762 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.023 -6.341 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.320 -4.616 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.553 -6.811 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.461 -6.078 -3.535 1.00 0.00 H new ATOM 739 N GLN A 48 10.217 -3.312 0.324 1.00 0.00 N ATOM 740 CA GLN A 48 10.166 -1.919 0.751 1.00 0.00 C ATOM 741 C GLN A 48 8.726 -1.476 0.993 1.00 0.00 C ATOM 742 O GLN A 48 7.784 -1.989 0.389 1.00 0.00 O ATOM 743 CB GLN A 48 10.820 -1.017 -0.297 1.00 0.00 C ATOM 744 CG GLN A 48 12.332 -0.926 -0.162 1.00 0.00 C ATOM 745 CD GLN A 48 13.021 -0.672 -1.488 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.758 -1.354 -2.479 1.00 0.00 O ATOM 747 NE2 GLN A 48 13.910 0.315 -1.514 1.00 0.00 N ATOM 0 H GLN A 48 10.806 -3.482 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 48 10.716 -1.833 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.574 -1.391 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.395 -0.016 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.583 -0.125 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.711 -1.853 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.097 0.855 -0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.405 0.533 -2.379 1.00 0.00 H new ATOM 756 N PRO A 49 8.551 -0.501 1.897 1.00 0.00 N ATOM 757 CA PRO A 49 7.229 0.033 2.238 1.00 0.00 C ATOM 758 C PRO A 49 6.619 0.843 1.100 1.00 0.00 C ATOM 759 O PRO A 49 7.265 1.084 0.079 1.00 0.00 O ATOM 760 CB PRO A 49 7.510 0.933 3.444 1.00 0.00 C ATOM 761 CG PRO A 49 8.939 1.328 3.296 1.00 0.00 C ATOM 762 CD PRO A 49 9.629 0.157 2.654 1.00 0.00 C ATOM 0 HA PRO A 49 6.509 -0.760 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.856 1.805 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.341 0.403 4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.035 2.222 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.382 1.559 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.441 0.478 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.063 -0.511 3.398 1.00 0.00 H new ATOM 770 N LEU A 50 5.371 1.263 1.281 1.00 0.00 N ATOM 771 CA LEU A 50 4.674 2.048 0.268 1.00 0.00 C ATOM 772 C LEU A 50 4.226 3.392 0.834 1.00 0.00 C ATOM 773 O LEU A 50 3.718 3.468 1.953 1.00 0.00 O ATOM 774 CB LEU A 50 3.463 1.276 -0.260 1.00 0.00 C ATOM 775 CG LEU A 50 3.715 0.383 -1.475 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.427 -0.295 -1.916 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.312 1.192 -2.617 1.00 0.00 C ATOM 0 H LEU A 50 4.822 1.073 2.119 1.00 0.00 H new ATOM 0 HA LEU A 50 5.366 2.232 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.072 0.656 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.684 1.993 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 50 4.429 -0.390 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.626 -0.926 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.041 -0.908 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.689 0.462 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.485 0.540 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.622 1.987 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.258 1.629 -2.297 1.00 0.00 H new ATOM 789 N SER A 51 4.416 4.450 0.053 1.00 0.00 N ATOM 790 CA SER A 51 4.034 5.792 0.476 1.00 0.00 C ATOM 791 C SER A 51 2.615 6.122 0.022 1.00 0.00 C ATOM 792 O SER A 51 2.416 6.805 -0.984 1.00 0.00 O ATOM 793 CB SER A 51 5.014 6.825 -0.083 1.00 0.00 C ATOM 794 OG SER A 51 4.983 6.843 -1.499 1.00 0.00 O ATOM 0 H SER A 51 4.833 4.404 -0.877 1.00 0.00 H new ATOM 0 HA SER A 51 4.065 5.825 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.764 7.814 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.023 6.596 0.259 1.00 0.00 H new ATOM 0 HG SER A 51 4.054 6.786 -1.807 1.00 0.00 H new ATOM 800 N LEU A 52 1.632 5.631 0.768 1.00 0.00 N ATOM 801 CA LEU A 52 0.231 5.872 0.443 1.00 0.00 C ATOM 802 C LEU A 52 -0.032 7.361 0.239 1.00 0.00 C ATOM 803 O LEU A 52 -0.920 7.746 -0.522 1.00 0.00 O ATOM 804 CB LEU A 52 -0.671 5.331 1.554 1.00 0.00 C ATOM 805 CG LEU A 52 -0.445 3.872 1.951 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.103 3.575 3.290 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.977 2.938 0.874 1.00 0.00 C ATOM 0 H LEU A 52 1.779 5.063 1.602 1.00 0.00 H new ATOM 0 HA LEU A 52 0.004 5.351 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.536 5.953 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.709 5.445 1.240 1.00 0.00 H new ATOM 0 HG LEU A 52 0.627 3.705 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.932 2.532 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.675 4.220 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.175 3.760 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.808 1.904 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.046 3.107 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.459 3.133 -0.065 1.00 0.00 H new ATOM 819 N VAL A 53 0.747 8.194 0.922 1.00 0.00 N ATOM 820 CA VAL A 53 0.600 9.640 0.813 1.00 0.00 C ATOM 821 C VAL A 53 0.825 10.109 -0.620 1.00 0.00 C ATOM 822 O VAL A 53 1.959 10.337 -1.039 1.00 0.00 O ATOM 823 CB VAL A 53 1.585 10.375 1.742 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.397 11.881 1.635 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.410 9.909 3.180 1.00 0.00 C ATOM 0 H VAL A 53 1.486 7.892 1.557 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.420 9.878 1.114 1.00 0.00 H new ATOM 0 HB VAL A 53 2.601 10.136 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.101 12.384 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.577 12.198 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.378 12.142 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.114 10.439 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.392 10.117 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.599 8.837 3.241 1.00 0.00 H new ATOM 835 N GLY A 54 -0.265 10.251 -1.368 1.00 0.00 N ATOM 836 CA GLY A 54 -0.167 10.693 -2.747 1.00 0.00 C ATOM 837 C GLY A 54 -0.659 9.647 -3.727 1.00 0.00 C ATOM 838 O GLY A 54 -0.559 9.828 -4.941 1.00 0.00 O ATOM 0 H GLY A 54 -1.214 10.068 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.747 11.607 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.870 10.939 -2.974 1.00 0.00 H new ATOM 842 N CYS A 55 -1.191 8.549 -3.201 1.00 0.00 N ATOM 843 CA CYS A 55 -1.699 7.468 -4.039 1.00 0.00 C ATOM 844 C CYS A 55 -3.224 7.460 -4.050 1.00 0.00 C ATOM 845 O CYS A 55 -3.863 8.332 -3.462 1.00 0.00 O ATOM 846 CB CYS A 55 -1.173 6.121 -3.543 1.00 0.00 C ATOM 847 SG CYS A 55 0.537 6.166 -2.957 1.00 0.00 S ATOM 0 H CYS A 55 -1.282 8.384 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.348 7.634 -5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.814 5.768 -2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.250 5.393 -4.351 1.00 0.00 H new ATOM 0 HG CYS A 55 0.740 7.266 -2.295 1.00 0.00 H new ATOM 853 N GLU A 56 -3.800 6.469 -4.723 1.00 0.00 N ATOM 854 CA GLU A 56 -5.250 6.349 -4.813 1.00 0.00 C ATOM 855 C GLU A 56 -5.673 4.884 -4.868 1.00 0.00 C ATOM 856 O GLU A 56 -5.298 4.152 -5.784 1.00 0.00 O ATOM 857 CB GLU A 56 -5.770 7.089 -6.047 1.00 0.00 C ATOM 858 CG GLU A 56 -7.227 6.795 -6.364 1.00 0.00 C ATOM 859 CD GLU A 56 -8.184 7.642 -5.546 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.994 7.728 -4.314 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.122 8.217 -6.136 1.00 0.00 O ATOM 0 H GLU A 56 -3.285 5.738 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.682 6.800 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.649 8.162 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.158 6.818 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.407 6.971 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.430 5.741 -6.177 1.00 0.00 H new ATOM 868 N VAL A 57 -6.456 4.462 -3.880 1.00 0.00 N ATOM 869 CA VAL A 57 -6.931 3.085 -3.816 1.00 0.00 C ATOM 870 C VAL A 57 -8.238 2.918 -4.582 1.00 0.00 C ATOM 871 O VAL A 57 -9.239 3.564 -4.272 1.00 0.00 O ATOM 872 CB VAL A 57 -7.141 2.632 -2.359 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.592 1.180 -2.311 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.868 2.831 -1.550 1.00 0.00 C ATOM 0 H VAL A 57 -6.775 5.054 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.163 2.463 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.925 3.246 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.735 0.878 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.531 1.073 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.833 0.548 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.035 2.506 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.062 2.244 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.594 3.886 -1.556 1.00 0.00 H new ATOM 884 N VAL A 58 -8.222 2.046 -5.586 1.00 0.00 N ATOM 885 CA VAL A 58 -9.407 1.792 -6.397 1.00 0.00 C ATOM 886 C VAL A 58 -9.765 0.311 -6.397 1.00 0.00 C ATOM 887 O VAL A 58 -8.910 -0.561 -6.551 1.00 0.00 O ATOM 888 CB VAL A 58 -9.203 2.260 -7.850 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.513 3.743 -7.983 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.785 1.960 -8.312 1.00 0.00 C ATOM 0 H VAL A 58 -7.402 1.504 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.224 2.360 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.893 1.711 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.363 4.055 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.548 3.925 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.850 4.313 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.658 2.297 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.075 2.481 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.604 0.887 -8.257 1.00 0.00 H new ATOM 900 N PRO A 59 -11.062 0.016 -6.220 1.00 0.00 N ATOM 901 CA PRO A 59 -11.564 -1.361 -6.196 1.00 0.00 C ATOM 902 C PRO A 59 -11.499 -2.026 -7.567 1.00 0.00 C ATOM 903 O PRO A 59 -12.433 -1.920 -8.363 1.00 0.00 O ATOM 904 CB PRO A 59 -13.019 -1.200 -5.748 1.00 0.00 C ATOM 905 CG PRO A 59 -13.391 0.183 -6.157 1.00 0.00 C ATOM 906 CD PRO A 59 -12.137 1.004 -6.029 1.00 0.00 C ATOM 0 HA PRO A 59 -10.970 -2.000 -5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.663 -1.940 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.119 -1.335 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.766 0.200 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.183 0.578 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.095 1.794 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.071 1.487 -5.054 1.00 0.00 H new ATOM 914 N ASP A 60 -10.393 -2.710 -7.836 1.00 0.00 N ATOM 915 CA ASP A 60 -10.207 -3.393 -9.111 1.00 0.00 C ATOM 916 C ASP A 60 -10.341 -4.903 -8.943 1.00 0.00 C ATOM 917 O ASP A 60 -9.354 -5.640 -8.925 1.00 0.00 O ATOM 918 CB ASP A 60 -8.839 -3.052 -9.702 1.00 0.00 C ATOM 919 CG ASP A 60 -8.831 -3.111 -11.217 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.574 -4.203 -11.766 1.00 0.00 O ATOM 921 OD2 ASP A 60 -9.081 -2.066 -11.853 1.00 0.00 O ATOM 0 H ASP A 60 -9.611 -2.806 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.984 -3.051 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.546 -2.053 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.094 -3.745 -9.310 1.00 0.00 H new ATOM 926 N PRO A 61 -11.589 -5.377 -8.815 1.00 0.00 N ATOM 927 CA PRO A 61 -11.881 -6.803 -8.645 1.00 0.00 C ATOM 928 C PRO A 61 -11.600 -7.607 -9.910 1.00 0.00 C ATOM 929 O PRO A 61 -11.315 -7.042 -10.966 1.00 0.00 O ATOM 930 CB PRO A 61 -13.376 -6.823 -8.319 1.00 0.00 C ATOM 931 CG PRO A 61 -13.913 -5.575 -8.929 1.00 0.00 C ATOM 932 CD PRO A 61 -12.812 -4.556 -8.827 1.00 0.00 C ATOM 0 HA PRO A 61 -11.257 -7.258 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.860 -7.707 -8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.546 -6.843 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.197 -5.740 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.807 -5.238 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.824 -3.865 -9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.902 -3.956 -7.922 1.00 0.00 H new ATOM 940 N SER A 62 -11.684 -8.929 -9.797 1.00 0.00 N ATOM 941 CA SER A 62 -11.436 -9.811 -10.931 1.00 0.00 C ATOM 942 C SER A 62 -12.524 -10.875 -11.040 1.00 0.00 C ATOM 943 O SER A 62 -13.327 -11.073 -10.129 1.00 0.00 O ATOM 944 CB SER A 62 -10.066 -10.477 -10.796 1.00 0.00 C ATOM 945 OG SER A 62 -9.097 -9.816 -11.592 1.00 0.00 O ATOM 0 H SER A 62 -11.922 -9.413 -8.931 1.00 0.00 H new ATOM 0 HA SER A 62 -11.450 -9.208 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.753 -10.465 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.135 -11.523 -11.096 1.00 0.00 H new ATOM 0 HG SER A 62 -8.230 -10.260 -11.487 1.00 0.00 H new ATOM 951 N PRO A 63 -12.550 -11.578 -12.182 1.00 0.00 N ATOM 952 CA PRO A 63 -13.533 -12.635 -12.438 1.00 0.00 C ATOM 953 C PRO A 63 -13.299 -13.867 -11.571 1.00 0.00 C ATOM 954 O PRO A 63 -13.972 -14.886 -11.729 1.00 0.00 O ATOM 955 CB PRO A 63 -13.315 -12.972 -13.916 1.00 0.00 C ATOM 956 CG PRO A 63 -11.903 -12.584 -14.188 1.00 0.00 C ATOM 957 CD PRO A 63 -11.623 -11.395 -13.311 1.00 0.00 C ATOM 0 HA PRO A 63 -14.548 -12.312 -12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.478 -14.032 -14.109 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.007 -12.422 -14.554 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.222 -13.405 -13.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.763 -12.335 -15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.585 -11.376 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.808 -10.457 -13.835 1.00 0.00 H new ATOM 965 N ASP A 64 -12.342 -13.767 -10.655 1.00 0.00 N ATOM 966 CA ASP A 64 -12.020 -14.873 -9.761 1.00 0.00 C ATOM 967 C ASP A 64 -12.081 -14.429 -8.303 1.00 0.00 C ATOM 968 O ASP A 64 -12.065 -15.256 -7.390 1.00 0.00 O ATOM 969 CB ASP A 64 -10.631 -15.427 -10.081 1.00 0.00 C ATOM 970 CG ASP A 64 -10.589 -16.151 -11.412 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.583 -16.826 -11.752 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.561 -16.044 -12.114 1.00 0.00 O ATOM 0 H ASP A 64 -11.775 -12.931 -10.512 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.760 -15.659 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.911 -14.609 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.324 -16.110 -9.289 1.00 0.00 H new ATOM 977 N HIS A 65 -12.150 -13.119 -8.091 1.00 0.00 N ATOM 978 CA HIS A 65 -12.213 -12.564 -6.743 1.00 0.00 C ATOM 979 C HIS A 65 -12.625 -11.096 -6.779 1.00 0.00 C ATOM 980 O HIS A 65 -11.847 -10.231 -7.184 1.00 0.00 O ATOM 981 CB HIS A 65 -10.860 -12.710 -6.046 1.00 0.00 C ATOM 982 CG HIS A 65 -10.697 -14.009 -5.319 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.295 -14.272 -4.105 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.001 -15.123 -5.643 1.00 0.00 C ATOM 985 CE1 HIS A 65 -10.971 -15.491 -3.712 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.187 -16.029 -4.628 1.00 0.00 N ATOM 0 H HIS A 65 -12.164 -12.421 -8.835 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.964 -13.120 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.067 -12.616 -6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.734 -11.890 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.409 -15.272 -6.534 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.293 -15.966 -2.797 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.785 -16.966 -4.588 1.00 0.00 H new ATOM 995 N LEU A 66 -13.853 -10.821 -6.353 1.00 0.00 N ATOM 996 CA LEU A 66 -14.370 -9.457 -6.336 1.00 0.00 C ATOM 997 C LEU A 66 -13.944 -8.729 -5.065 1.00 0.00 C ATOM 998 O LEU A 66 -14.677 -7.890 -4.542 1.00 0.00 O ATOM 999 CB LEU A 66 -15.896 -9.467 -6.444 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.489 -10.430 -7.473 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.916 -10.800 -7.097 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.444 -9.816 -8.865 1.00 0.00 C ATOM 0 H LEU A 66 -14.509 -11.525 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.955 -8.927 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.308 -9.713 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.230 -8.458 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.889 -11.340 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.322 -11.486 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.922 -11.281 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.528 -9.899 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.870 -10.515 -9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -17.020 -8.891 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.410 -9.602 -9.135 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.753 -9.054 -4.575 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.228 -8.431 -3.365 1.00 0.00 C ATOM 1016 C TYR A 67 -10.798 -7.944 -3.579 1.00 0.00 C ATOM 1017 O TYR A 67 -10.025 -7.816 -2.629 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.274 -9.417 -2.197 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.456 -10.359 -2.246 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.744 -9.879 -2.446 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.283 -11.730 -2.094 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.827 -10.736 -2.490 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.360 -12.594 -2.139 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.629 -12.093 -2.337 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.705 -12.950 -2.382 1.00 0.00 O ATOM 0 H TYR A 67 -12.133 -9.745 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.854 -7.570 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.354 -10.002 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.304 -8.858 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.902 -8.818 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.290 -12.126 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.822 -10.346 -2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.209 -13.657 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.395 -13.871 -2.258 1.00 0.00 H new ATOM 1035 N SER A 68 -10.453 -7.674 -4.834 1.00 0.00 N ATOM 1036 CA SER A 68 -9.116 -7.204 -5.175 1.00 0.00 C ATOM 1037 C SER A 68 -9.102 -5.690 -5.359 1.00 0.00 C ATOM 1038 O SER A 68 -10.014 -5.117 -5.956 1.00 0.00 O ATOM 1039 CB SER A 68 -8.621 -7.889 -6.450 1.00 0.00 C ATOM 1040 OG SER A 68 -7.708 -7.063 -7.152 1.00 0.00 O ATOM 0 H SER A 68 -11.081 -7.773 -5.631 1.00 0.00 H new ATOM 0 HA SER A 68 -8.448 -7.458 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.140 -8.834 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.469 -8.126 -7.092 1.00 0.00 H new ATOM 0 HG SER A 68 -8.193 -6.531 -7.817 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.061 -5.046 -4.841 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.928 -3.598 -4.947 1.00 0.00 C ATOM 1048 C PHE A 69 -6.480 -3.204 -5.227 1.00 0.00 C ATOM 1049 O PHE A 69 -5.547 -3.822 -4.714 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.411 -2.925 -3.661 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.806 -3.506 -2.415 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.372 -4.614 -1.806 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.670 -2.945 -1.854 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.816 -5.151 -0.660 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.110 -3.477 -0.708 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.683 -4.582 -0.111 1.00 0.00 C ATOM 0 H PHE A 69 -7.297 -5.504 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.546 -3.261 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.176 -1.862 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.496 -3.010 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.257 -5.063 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.217 -2.081 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.267 -6.015 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.225 -3.029 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.246 -5.001 0.784 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.302 -2.172 -6.045 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.969 -1.696 -6.395 1.00 0.00 C ATOM 1068 C ARG A 70 -4.852 -0.191 -6.169 1.00 0.00 C ATOM 1069 O ARG A 70 -5.851 0.529 -6.194 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.653 -2.029 -7.854 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.722 -1.567 -8.830 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.180 -1.475 -10.248 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.859 -0.443 -11.028 1.00 0.00 N ATOM 1074 CZ ARG A 70 -5.918 -0.444 -12.355 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.342 -1.418 -13.046 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.554 0.530 -12.992 1.00 0.00 N ATOM 0 H ARG A 70 -7.064 -1.650 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.249 -2.200 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.703 -1.569 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.525 -3.107 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.563 -2.260 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.102 -0.593 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.112 -1.260 -10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.296 -2.439 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.313 0.320 -10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.852 -2.168 -12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.389 -1.417 -14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.998 1.280 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.599 0.529 -14.011 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.628 0.275 -5.949 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.381 1.693 -5.719 1.00 0.00 C ATOM 1092 C ILE A 71 -2.767 2.351 -6.950 1.00 0.00 C ATOM 1093 O ILE A 71 -2.028 1.716 -7.703 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.448 1.914 -4.514 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.555 0.741 -3.537 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.785 3.224 -3.816 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.552 0.804 -2.406 1.00 0.00 C ATOM 0 H ILE A 71 -2.792 -0.308 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.347 2.151 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.421 1.971 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.561 0.718 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.415 -0.191 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.117 3.366 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.663 4.051 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.817 3.195 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.686 -0.058 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.542 0.797 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.705 1.719 -1.834 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.076 3.628 -7.148 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.553 4.374 -8.288 1.00 0.00 C ATOM 1111 C LEU A 72 -2.012 5.730 -7.848 1.00 0.00 C ATOM 1112 O LEU A 72 -2.557 6.365 -6.944 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.644 4.564 -9.342 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.302 3.287 -9.866 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.744 3.555 -10.268 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.514 2.725 -11.041 1.00 0.00 C ATOM 0 H LEU A 72 -3.686 4.168 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.734 3.800 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.421 5.202 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.214 5.101 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.302 2.546 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.196 2.635 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.303 3.911 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.769 4.312 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.996 1.816 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.482 3.462 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.498 2.494 -10.721 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.937 6.171 -8.495 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.324 7.455 -8.173 1.00 0.00 C ATOM 1130 C HIS A 73 -0.289 8.363 -9.398 1.00 0.00 C ATOM 1131 O HIS A 73 0.701 8.397 -10.130 1.00 0.00 O ATOM 1132 CB HIS A 73 1.092 7.247 -7.636 1.00 0.00 C ATOM 1133 CG HIS A 73 1.670 8.464 -6.982 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.337 9.448 -7.680 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.675 8.854 -5.686 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.730 10.391 -6.841 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.340 10.054 -5.625 1.00 0.00 N ATOM 0 H HIS A 73 -0.473 5.658 -9.245 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.929 7.936 -7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.082 6.428 -6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.742 6.943 -8.457 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.502 9.448 -8.687 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.238 8.321 -4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.277 11.284 -7.105 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.375 9.097 -9.617 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.469 10.006 -10.753 1.00 0.00 C ATOM 1148 C LYS A 74 -1.695 9.234 -12.049 1.00 0.00 C ATOM 1149 O LYS A 74 -1.269 9.664 -13.121 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.197 10.849 -10.864 1.00 0.00 C ATOM 1151 CG LYS A 74 0.308 11.367 -9.528 1.00 0.00 C ATOM 1152 CD LYS A 74 1.031 12.695 -9.682 1.00 0.00 C ATOM 1153 CE LYS A 74 2.456 12.500 -10.177 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.497 12.142 -11.622 1.00 0.00 N ATOM 0 H LYS A 74 -2.203 9.080 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.321 10.666 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.585 10.251 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.389 11.695 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.531 11.486 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.982 10.634 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.485 13.329 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.045 13.216 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.026 13.415 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.939 11.715 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.345 12.556 -12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.526 11.107 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.648 12.512 -12.096 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.369 8.093 -11.944 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.641 7.282 -13.116 1.00 0.00 C ATOM 1170 C GLY A 75 -1.635 6.161 -13.292 1.00 0.00 C ATOM 1171 O GLY A 75 -1.750 5.354 -14.213 1.00 0.00 O ATOM 0 H GLY A 75 -2.731 7.716 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.642 6.858 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.633 7.916 -14.003 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.644 6.113 -12.406 1.00 0.00 N ATOM 1176 CA GLU A 76 0.387 5.085 -12.470 1.00 0.00 C ATOM 1177 C GLU A 76 0.108 3.971 -11.466 1.00 0.00 C ATOM 1178 O GLU A 76 -0.494 4.203 -10.418 1.00 0.00 O ATOM 1179 CB GLU A 76 1.765 5.695 -12.202 1.00 0.00 C ATOM 1180 CG GLU A 76 2.491 6.137 -13.462 1.00 0.00 C ATOM 1181 CD GLU A 76 2.609 5.025 -14.486 1.00 0.00 C ATOM 1182 OE1 GLU A 76 3.406 4.091 -14.260 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.904 5.090 -15.515 1.00 0.00 O ATOM 0 H GLU A 76 -0.534 6.774 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 76 0.376 4.658 -13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.651 6.553 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.380 4.965 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.961 6.980 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.488 6.490 -13.198 1.00 0.00 H new ATOM 1190 N GLU A 77 0.551 2.761 -11.794 1.00 0.00 N ATOM 1191 CA GLU A 77 0.347 1.611 -10.921 1.00 0.00 C ATOM 1192 C GLU A 77 1.434 1.540 -9.852 1.00 0.00 C ATOM 1193 O GLU A 77 2.625 1.626 -10.155 1.00 0.00 O ATOM 1194 CB GLU A 77 0.336 0.318 -11.739 1.00 0.00 C ATOM 1195 CG GLU A 77 0.250 -0.939 -10.889 1.00 0.00 C ATOM 1196 CD GLU A 77 0.582 -2.195 -11.671 1.00 0.00 C ATOM 1197 OE1 GLU A 77 1.710 -2.287 -12.197 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.288 -3.087 -11.756 1.00 0.00 O ATOM 0 H GLU A 77 1.053 2.552 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.617 1.728 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.509 0.340 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.240 0.275 -12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.934 -0.850 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.755 -1.027 -10.477 1.00 0.00 H new ATOM 1205 N LEU A 78 1.016 1.383 -8.601 1.00 0.00 N ATOM 1206 CA LEU A 78 1.952 1.301 -7.486 1.00 0.00 C ATOM 1207 C LEU A 78 2.015 -0.118 -6.931 1.00 0.00 C ATOM 1208 O LEU A 78 3.096 -0.667 -6.722 1.00 0.00 O ATOM 1209 CB LEU A 78 1.545 2.276 -6.380 1.00 0.00 C ATOM 1210 CG LEU A 78 1.275 3.715 -6.820 1.00 0.00 C ATOM 1211 CD1 LEU A 78 0.427 4.439 -5.786 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.583 4.456 -7.053 1.00 0.00 C ATOM 0 H LEU A 78 0.034 1.310 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 78 2.942 1.571 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.648 1.891 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.333 2.289 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 78 0.723 3.690 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.245 5.462 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.525 3.921 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.952 4.454 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.371 5.479 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.162 4.471 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.154 3.950 -7.831 1.00 0.00 H new ATOM 1224 N ALA A 79 0.847 -0.708 -6.696 1.00 0.00 N ATOM 1225 CA ALA A 79 0.769 -2.065 -6.169 1.00 0.00 C ATOM 1226 C ALA A 79 -0.635 -2.638 -6.333 1.00 0.00 C ATOM 1227 O ALA A 79 -1.555 -1.940 -6.759 1.00 0.00 O ATOM 1228 CB ALA A 79 1.183 -2.088 -4.705 1.00 0.00 C ATOM 0 H ALA A 79 -0.058 -0.267 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 79 1.457 -2.689 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.120 -3.108 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.208 -1.729 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.518 -1.444 -4.129 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.792 -3.912 -5.992 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.084 -4.580 -6.101 1.00 0.00 C ATOM 1236 C LYS A 80 -2.282 -5.572 -4.959 1.00 0.00 C ATOM 1237 O LYS A 80 -1.470 -6.478 -4.763 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.196 -5.304 -7.445 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.610 -5.745 -7.782 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.807 -5.887 -9.282 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.905 -6.887 -9.608 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.466 -6.670 -10.970 1.00 0.00 N ATOM 0 H LYS A 80 -0.040 -4.503 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.863 -3.821 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.832 -4.646 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.545 -6.178 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.821 -6.697 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.322 -5.020 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.058 -4.917 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.873 -6.207 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.507 -7.899 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.702 -6.805 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.211 -7.371 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.868 -5.713 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.711 -6.774 -11.677 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.364 -5.396 -4.210 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.669 -6.277 -3.088 1.00 0.00 C ATOM 1258 C LEU A 81 -5.009 -6.977 -3.294 1.00 0.00 C ATOM 1259 O LEU A 81 -5.873 -6.483 -4.017 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.692 -5.482 -1.781 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.446 -4.649 -1.481 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.187 -5.477 -1.687 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.415 -3.402 -2.352 1.00 0.00 C ATOM 0 H LEU A 81 -4.045 -4.651 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.888 -7.036 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.554 -4.816 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.845 -6.179 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.484 -4.338 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.311 -4.867 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.205 -6.339 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.142 -5.820 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.521 -2.821 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.402 -3.692 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.300 -2.798 -2.154 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.174 -8.129 -2.651 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.409 -8.895 -2.763 1.00 0.00 C ATOM 1277 C GLU A 82 -6.792 -9.510 -1.420 1.00 0.00 C ATOM 1278 O GLU A 82 -5.957 -10.100 -0.735 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.259 -9.996 -3.816 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.400 -10.999 -3.815 1.00 0.00 C ATOM 1281 CD GLU A 82 -8.506 -10.627 -4.783 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -8.397 -10.983 -5.975 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -9.480 -9.978 -4.349 1.00 0.00 O ATOM 0 H GLU A 82 -4.468 -8.552 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.202 -8.213 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.191 -9.537 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.321 -10.525 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.012 -11.984 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.813 -11.073 -2.809 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.061 -9.367 -1.050 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.555 -9.909 0.209 1.00 0.00 C ATOM 1292 C ALA A 83 -9.243 -11.253 -0.004 1.00 0.00 C ATOM 1293 O ALA A 83 -9.241 -11.795 -1.109 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.509 -8.924 0.869 1.00 0.00 C ATOM 0 H ALA A 83 -8.765 -8.880 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.701 -10.068 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.871 -9.342 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.987 -7.988 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.354 -8.736 0.206 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.831 -11.787 1.062 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.524 -13.068 0.992 1.00 0.00 C ATOM 1302 C LYS A 84 -12.027 -12.865 0.836 1.00 0.00 C ATOM 1303 O LYS A 84 -12.699 -13.639 0.153 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.237 -13.894 2.248 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.739 -13.249 3.528 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.228 -13.980 4.759 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.016 -15.256 5.015 1.00 0.00 C ATOM 1308 NZ LYS A 84 -12.264 -14.992 5.783 1.00 0.00 N ATOM 0 H LYS A 84 -9.841 -11.352 1.985 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.156 -13.606 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.699 -14.876 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.162 -14.054 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.417 -12.208 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.829 -13.246 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.173 -14.222 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.300 -13.326 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.267 -15.725 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.394 -15.963 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.773 -15.886 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.023 -14.568 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.869 -14.337 5.248 1.00 0.00 H new ATOM 1322 N SER A 85 -12.548 -11.821 1.471 1.00 0.00 N ATOM 1323 CA SER A 85 -13.974 -11.518 1.404 1.00 0.00 C ATOM 1324 C SER A 85 -14.202 -10.029 1.164 1.00 0.00 C ATOM 1325 O SER A 85 -13.426 -9.189 1.620 1.00 0.00 O ATOM 1326 CB SER A 85 -14.670 -11.951 2.695 1.00 0.00 C ATOM 1327 OG SER A 85 -16.012 -11.497 2.728 1.00 0.00 O ATOM 0 H SER A 85 -12.005 -11.170 2.038 1.00 0.00 H new ATOM 0 HA SER A 85 -14.399 -12.072 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.648 -13.038 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.128 -11.556 3.554 1.00 0.00 H new ATOM 0 HG SER A 85 -16.435 -11.788 3.562 1.00 0.00 H new ATOM 1333 N SER A 86 -15.273 -9.709 0.445 1.00 0.00 N ATOM 1334 CA SER A 86 -15.603 -8.322 0.140 1.00 0.00 C ATOM 1335 C SER A 86 -15.578 -7.467 1.403 1.00 0.00 C ATOM 1336 O SER A 86 -15.230 -6.288 1.360 1.00 0.00 O ATOM 1337 CB SER A 86 -16.981 -8.237 -0.520 1.00 0.00 C ATOM 1338 OG SER A 86 -17.968 -8.865 0.279 1.00 0.00 O ATOM 0 H SER A 86 -15.927 -10.392 0.063 1.00 0.00 H new ATOM 0 HA SER A 86 -14.852 -7.939 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.248 -7.192 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.948 -8.710 -1.501 1.00 0.00 H new ATOM 0 HG SER A 86 -18.840 -8.796 -0.163 1.00 0.00 H new ATOM 1344 N GLU A 87 -15.948 -8.073 2.527 1.00 0.00 N ATOM 1345 CA GLU A 87 -15.969 -7.367 3.803 1.00 0.00 C ATOM 1346 C GLU A 87 -14.558 -6.969 4.228 1.00 0.00 C ATOM 1347 O GLU A 87 -14.363 -5.951 4.890 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.611 -8.240 4.884 1.00 0.00 C ATOM 1349 CG GLU A 87 -17.172 -7.448 6.052 1.00 0.00 C ATOM 1350 CD GLU A 87 -16.179 -6.446 6.608 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -15.333 -6.845 7.435 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -16.249 -5.262 6.216 1.00 0.00 O ATOM 0 H GLU A 87 -16.237 -9.050 2.580 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.562 -6.461 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.412 -8.828 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.869 -8.946 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.072 -6.923 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.470 -8.136 6.843 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.579 -7.781 3.841 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.187 -7.514 4.183 1.00 0.00 C ATOM 1361 C GLU A 88 -11.621 -6.390 3.320 1.00 0.00 C ATOM 1362 O GLU A 88 -11.016 -5.447 3.829 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.344 -8.779 4.008 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.881 -8.591 4.372 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.634 -8.681 5.865 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.977 -7.718 6.583 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -9.098 -9.715 6.316 1.00 0.00 O ATOM 0 H GLU A 88 -13.724 -8.628 3.291 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.149 -7.202 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.764 -9.573 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.412 -9.110 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.284 -9.347 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.542 -7.620 4.010 1.00 0.00 H new ATOM 1374 N MET A 89 -11.821 -6.498 2.011 1.00 0.00 N ATOM 1375 CA MET A 89 -11.332 -5.491 1.077 1.00 0.00 C ATOM 1376 C MET A 89 -12.015 -4.148 1.318 1.00 0.00 C ATOM 1377 O MET A 89 -11.425 -3.092 1.095 1.00 0.00 O ATOM 1378 CB MET A 89 -11.567 -5.944 -0.365 1.00 0.00 C ATOM 1379 CG MET A 89 -12.986 -5.703 -0.854 1.00 0.00 C ATOM 1380 SD MET A 89 -13.139 -4.188 -1.820 1.00 0.00 S ATOM 1381 CE MET A 89 -12.012 -4.531 -3.169 1.00 0.00 C ATOM 0 H MET A 89 -12.319 -7.273 1.573 1.00 0.00 H new ATOM 0 HA MET A 89 -10.261 -5.369 1.242 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.872 -5.419 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.339 -7.007 -0.445 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.306 -6.550 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.658 -5.653 0.003 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.114 -3.761 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.988 -4.538 -2.795 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.247 -5.504 -3.601 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.263 -4.198 1.775 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.005 -2.979 2.038 1.00 0.00 C ATOM 1393 C GLY A 90 -13.436 -2.193 3.203 1.00 0.00 C ATOM 1394 O GLY A 90 -13.622 -0.979 3.292 1.00 0.00 O ATOM 0 H GLY A 90 -13.773 -5.060 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.999 -2.354 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.046 -3.228 2.246 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.742 -2.887 4.099 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.145 -2.246 5.266 1.00 0.00 C ATOM 1400 C HIS A 91 -10.797 -1.623 4.913 1.00 0.00 C ATOM 1401 O HIS A 91 -10.393 -0.621 5.503 1.00 0.00 O ATOM 1402 CB HIS A 91 -11.970 -3.260 6.397 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.093 -2.772 7.509 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.475 -1.784 8.391 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.845 -3.143 7.880 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.500 -1.567 9.256 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.500 -2.379 8.967 1.00 0.00 N ATOM 0 H HIS A 91 -12.579 -3.892 4.040 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.816 -1.454 5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.950 -3.512 6.802 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.548 -4.178 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.235 -3.899 7.409 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.518 -0.848 10.062 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.614 -2.430 9.470 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.108 -2.223 3.950 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.805 -1.727 3.520 1.00 0.00 C ATOM 1418 C TRP A 92 -8.961 -0.565 2.544 1.00 0.00 C ATOM 1419 O TRP A 92 -8.143 0.356 2.526 1.00 0.00 O ATOM 1420 CB TRP A 92 -7.998 -2.851 2.869 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.397 -3.801 3.860 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.905 -5.006 4.253 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.174 -3.624 4.584 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.073 -5.589 5.178 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.004 -4.761 5.397 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.207 -2.617 4.623 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.906 -4.916 6.239 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.117 -2.772 5.459 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.974 -3.914 6.257 1.00 0.00 C ATOM 0 H TRP A 92 -10.429 -3.053 3.452 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.271 -1.369 4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.645 -3.407 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.202 -2.415 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.826 -5.438 3.890 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.226 -6.491 5.628 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.309 -1.733 4.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.794 -5.795 6.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.363 -2.000 5.497 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.111 -4.006 6.900 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.013 -0.614 1.735 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.275 0.435 0.757 1.00 0.00 C ATOM 1442 C LEU A 93 -10.226 1.813 1.409 1.00 0.00 C ATOM 1443 O LEU A 93 -9.438 2.671 1.014 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.640 0.218 0.100 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.656 -0.691 -1.129 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.036 -0.701 -1.768 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.604 -0.247 -2.135 1.00 0.00 C ATOM 0 H LEU A 93 -10.699 -1.369 1.737 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.499 0.387 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.317 -0.200 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.042 1.190 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.419 -1.706 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.028 -1.353 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.768 -1.067 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.303 0.311 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.630 -0.906 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.810 0.776 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.617 -0.293 -1.674 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.073 2.017 2.414 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.108 3.292 3.107 1.00 0.00 C ATOM 1461 C GLY A 94 -9.892 3.507 3.986 1.00 0.00 C ATOM 1462 O GLY A 94 -9.423 4.635 4.144 1.00 0.00 O ATOM 0 H GLY A 94 -11.735 1.323 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.171 4.098 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.009 3.345 3.719 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.382 2.425 4.563 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.214 2.500 5.433 1.00 0.00 C ATOM 1468 C LEU A 95 -7.010 3.059 4.682 1.00 0.00 C ATOM 1469 O LEU A 95 -6.248 3.865 5.218 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.881 1.117 5.995 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.543 0.991 6.723 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.712 1.282 8.206 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.949 -0.394 6.513 1.00 0.00 C ATOM 0 H LEU A 95 -9.759 1.485 4.444 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.450 3.173 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.675 0.826 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.893 0.401 5.173 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.854 1.726 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.749 1.187 8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.091 2.295 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.417 0.572 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.997 -0.465 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.635 -1.147 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.789 -0.564 5.448 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.844 2.628 3.436 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.734 3.087 2.609 1.00 0.00 C ATOM 1487 C LEU A 96 -6.003 4.485 2.063 1.00 0.00 C ATOM 1488 O LEU A 96 -5.094 5.310 1.963 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.496 2.113 1.453 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.986 0.724 1.840 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.267 -0.276 0.730 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.498 0.771 2.154 1.00 0.00 C ATOM 0 H LEU A 96 -7.464 1.961 2.977 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.841 3.126 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.431 1.995 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.779 2.563 0.767 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.516 0.400 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.897 -1.259 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.341 -0.331 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.764 0.043 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.152 -0.226 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.952 1.117 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.323 1.456 2.984 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.258 4.746 1.712 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.648 6.046 1.178 1.00 0.00 C ATOM 1506 C LEU A 97 -7.374 7.155 2.189 1.00 0.00 C ATOM 1507 O LEU A 97 -6.769 8.174 1.858 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.130 6.040 0.799 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.480 5.376 -0.533 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.917 4.877 -0.520 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.260 6.345 -1.686 1.00 0.00 C ATOM 0 H LEU A 97 -8.022 4.075 1.788 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.052 6.238 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.685 5.536 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.481 7.071 0.771 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.821 4.519 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.148 4.408 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.042 4.149 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.592 5.717 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.514 5.855 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.894 7.222 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.215 6.653 -1.708 1.00 0.00 H new ATOM 1523 N SER A 98 -7.823 6.947 3.423 1.00 0.00 N ATOM 1524 CA SER A 98 -7.627 7.929 4.482 1.00 0.00 C ATOM 1525 C SER A 98 -6.154 8.302 4.613 1.00 0.00 C ATOM 1526 O SER A 98 -5.805 9.480 4.677 1.00 0.00 O ATOM 1527 CB SER A 98 -8.147 7.385 5.814 1.00 0.00 C ATOM 1528 OG SER A 98 -7.415 6.240 6.217 1.00 0.00 O ATOM 0 H SER A 98 -8.325 6.108 3.713 1.00 0.00 H new ATOM 0 HA SER A 98 -8.188 8.826 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.072 8.157 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.203 7.131 5.720 1.00 0.00 H new ATOM 0 HG SER A 98 -7.310 5.634 5.454 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.295 7.289 4.651 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.859 7.510 4.775 1.00 0.00 C ATOM 1536 C GLU A 99 -3.301 8.177 3.521 1.00 0.00 C ATOM 1537 O GLU A 99 -2.491 9.100 3.604 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.136 6.184 5.025 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.650 5.431 6.240 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.534 6.237 7.519 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.399 6.608 7.885 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.578 6.497 8.154 1.00 0.00 O ATOM 0 H GLU A 99 -5.568 6.308 4.598 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.691 8.173 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.241 5.551 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.071 6.379 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.693 5.159 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.092 4.501 6.349 1.00 0.00 H new ATOM 1549 N SER A 100 -3.740 7.701 2.360 1.00 0.00 N ATOM 1550 CA SER A 100 -3.282 8.248 1.088 1.00 0.00 C ATOM 1551 C SER A 100 -3.927 9.604 0.816 1.00 0.00 C ATOM 1552 O SER A 100 -5.148 9.741 0.853 1.00 0.00 O ATOM 1553 CB SER A 100 -3.603 7.280 -0.052 1.00 0.00 C ATOM 1554 OG SER A 100 -4.998 7.055 -0.153 1.00 0.00 O ATOM 0 H SER A 100 -4.412 6.938 2.274 1.00 0.00 H new ATOM 0 HA SER A 100 -2.202 8.384 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.228 7.684 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.090 6.333 0.116 1.00 0.00 H new ATOM 0 HG SER A 100 -5.468 7.619 0.496 1.00 0.00 H new