USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 130:sc= 0.421 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.642 K(o=1.1,f=2) USER MOD Set 2.1: A 67 TYR OH : rot -160:sc= 1.08 USER MOD Set 2.2: A 103 CYS SG : rot -81:sc= 0.704 USER MOD Set 3.1: A 53 SER OG : rot -164:sc= -0.0761 USER MOD Set 3.2: A 66 HIS : no HE2:sc= -0.547 K(o=-0.62,f=-2.7!) USER MOD Set 4.1: A 43 SER OG : rot -62:sc= 1.11 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0.692 USER MOD Set 4.3: A 46 ASN : amide:sc= -10! C(o=-8.2!,f=-12!) USER MOD Set 5.1: A 34 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0) USER MOD Set 5.2: A 107 THR OG1 : rot -121:sc= 0.814 USER MOD Set 6.1: A 33 ASN : amide:sc= -1.78 K(o=-2.5,f=-3.8!) USER MOD Set 6.2: A 110 CYS SG : rot -44:sc= -0.771 USER MOD Set 7.1: A 20 SER OG : rot 160:sc= 0.509 USER MOD Set 7.2: A 22 LYS NZ :NH3+ -172:sc= -0.51 (180deg=-1.01) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -56:sc= 0.755 USER MOD Single : A 27 GLN : amide:sc= -0.516 K(o=-0.52,f=0.2) USER MOD Single : A 32 MET CE :methyl 180:sc= -0.522 (180deg=-0.522) USER MOD Single : A 37 SER OG : rot -61:sc= 0.899 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -0.016 (180deg=-0.0352) USER MOD Single : A 51 SER OG : rot -90:sc= 0.599 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -4.34! (180deg=-4.62) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00434 USER MOD Single : A 59 THR OG1 : rot -21:sc= 0.6 USER MOD Single : A 60 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.02) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= -0.686 USER MOD Single : A 74 ASN : amide:sc= -0.228 K(o=-0.23,f=-3.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.145 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.675 X(o=-0.67,f=-1.1) USER MOD Single : A 94 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 95 TYR OH : rot 130:sc= -0.164 USER MOD Single : A 96 SER OG : rot 39:sc= 1.2 USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0571) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0.732 (180deg=0.701) USER MOD Single : A 104 GLN : amide:sc= 0.429 K(o=0.43,f=-3.2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -8.900 -1.623 -9.219 1.00 0.00 N ATOM 172 CA LYS A 13 -8.027 -1.923 -8.091 1.00 0.00 C ATOM 173 C LYS A 13 -6.683 -1.192 -8.197 1.00 0.00 C ATOM 174 O LYS A 13 -5.851 -1.441 -7.333 1.00 0.00 O ATOM 175 CB LYS A 13 -7.708 -3.430 -8.061 1.00 0.00 C ATOM 176 CG LYS A 13 -8.877 -4.330 -7.642 1.00 0.00 C ATOM 177 CD LYS A 13 -9.054 -4.306 -6.124 1.00 0.00 C ATOM 178 CE LYS A 13 -10.242 -5.123 -5.626 1.00 0.00 C ATOM 179 NZ LYS A 13 -11.509 -4.459 -5.894 1.00 0.00 N ATOM 0 HA LYS A 13 -8.555 -1.601 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.371 -3.735 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.877 -3.597 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.794 -3.994 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.695 -5.351 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.145 -4.683 -5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.175 -3.273 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.236 -6.101 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.141 -5.294 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.291 -5.047 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.525 -3.536 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.618 -4.319 -6.919 1.00 0.00 H new ATOM 193 N TRP A 14 -6.444 -0.299 -9.207 1.00 0.00 N ATOM 194 CA TRP A 14 -5.095 0.310 -9.196 1.00 0.00 C ATOM 195 C TRP A 14 -4.845 1.122 -7.919 1.00 0.00 C ATOM 196 O TRP A 14 -3.763 1.066 -7.354 1.00 0.00 O ATOM 197 CB TRP A 14 -4.541 0.932 -10.503 1.00 0.00 C ATOM 198 CG TRP A 14 -4.778 2.400 -10.839 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.428 2.831 -12.001 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.247 3.604 -10.219 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.310 4.173 -12.128 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.592 4.693 -11.063 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.525 3.854 -9.079 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.209 5.971 -10.741 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.149 5.153 -8.747 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.491 6.213 -9.578 1.00 0.00 C ATOM 0 H TRP A 14 -7.084 -0.016 -9.949 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.440 -0.560 -9.166 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.462 0.776 -10.498 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.943 0.347 -11.330 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.948 2.187 -12.695 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.694 4.723 -12.897 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.246 3.035 -8.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.467 6.791 -11.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.590 5.337 -7.841 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.199 7.220 -9.320 1.00 0.00 H new ATOM 217 N PHE A 15 -5.898 1.843 -7.483 1.00 0.00 N ATOM 218 CA PHE A 15 -5.797 2.646 -6.265 1.00 0.00 C ATOM 219 C PHE A 15 -6.500 1.916 -5.103 1.00 0.00 C ATOM 220 O PHE A 15 -7.707 1.710 -5.143 1.00 0.00 O ATOM 221 CB PHE A 15 -6.418 4.027 -6.523 1.00 0.00 C ATOM 222 CG PHE A 15 -6.084 5.000 -5.424 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.818 5.571 -5.366 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.024 5.340 -4.456 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.491 6.473 -4.363 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.702 6.241 -3.449 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.437 6.808 -3.403 1.00 0.00 C ATOM 0 H PHE A 15 -6.805 1.881 -7.949 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.752 2.785 -5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.058 4.416 -7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.500 3.930 -6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.080 5.310 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.010 4.901 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.505 6.912 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.437 6.500 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.188 7.510 -2.621 1.00 0.00 H new ATOM 237 N PHE A 16 -5.687 1.549 -4.078 1.00 0.00 N ATOM 238 CA PHE A 16 -6.213 0.839 -2.906 1.00 0.00 C ATOM 239 C PHE A 16 -5.766 1.532 -1.614 1.00 0.00 C ATOM 240 O PHE A 16 -4.825 2.313 -1.574 1.00 0.00 O ATOM 241 CB PHE A 16 -5.799 -0.666 -2.925 1.00 0.00 C ATOM 242 CG PHE A 16 -6.997 -1.578 -2.828 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.106 -1.366 -3.644 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.027 -2.634 -1.918 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.234 -2.159 -3.533 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.162 -3.435 -1.815 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.265 -3.200 -2.621 1.00 0.00 C ATOM 0 H PHE A 16 -4.684 1.734 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.302 0.873 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.252 -0.881 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.121 -0.867 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.085 -0.571 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.169 -2.831 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.092 -1.966 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.183 -4.246 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.142 -3.825 -2.538 1.00 0.00 H new ATOM 257 N ARG A 17 -6.541 1.195 -0.561 1.00 0.00 N ATOM 258 CA ARG A 17 -6.259 1.721 0.769 1.00 0.00 C ATOM 259 C ARG A 17 -5.092 0.935 1.389 1.00 0.00 C ATOM 260 O ARG A 17 -4.402 0.177 0.722 1.00 0.00 O ATOM 261 CB ARG A 17 -7.547 1.681 1.620 1.00 0.00 C ATOM 262 CG ARG A 17 -8.359 2.966 1.438 1.00 0.00 C ATOM 263 CD ARG A 17 -9.498 3.104 2.447 1.00 0.00 C ATOM 264 NE ARG A 17 -10.046 4.450 2.343 1.00 0.00 N ATOM 265 CZ ARG A 17 -10.932 4.949 3.225 1.00 0.00 C ATOM 266 NH1 ARG A 17 -11.403 4.207 4.218 1.00 0.00 N ATOM 267 NH2 ARG A 17 -11.337 6.204 3.093 1.00 0.00 N ATOM 0 H ARG A 17 -7.348 0.573 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.947 2.764 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.151 0.820 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.290 1.554 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.694 3.825 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.771 2.989 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.272 2.363 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.133 2.920 3.458 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.745 5.040 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.094 3.241 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.074 4.603 4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.978 6.778 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.008 6.596 3.754 1.00 0.00 H new ATOM 281 N THR A 18 -4.913 1.169 2.699 1.00 0.00 N ATOM 282 CA THR A 18 -3.853 0.537 3.467 1.00 0.00 C ATOM 283 C THR A 18 -4.281 -0.855 3.923 1.00 0.00 C ATOM 284 O THR A 18 -4.557 -1.116 5.087 1.00 0.00 O ATOM 285 CB THR A 18 -3.408 1.370 4.711 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.705 0.634 5.765 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.546 2.318 5.193 1.00 0.00 C ATOM 0 H THR A 18 -5.501 1.800 3.244 1.00 0.00 H new ATOM 0 HA THR A 18 -2.996 0.471 2.797 1.00 0.00 H new ATOM 0 HB THR A 18 -2.601 2.013 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.259 -0.116 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.205 2.884 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.810 3.007 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.420 1.727 5.466 1.00 0.00 H new ATOM 295 N ILE A 19 -4.314 -1.724 2.903 1.00 0.00 N ATOM 296 CA ILE A 19 -4.612 -3.131 3.114 1.00 0.00 C ATOM 297 C ILE A 19 -3.292 -3.712 3.646 1.00 0.00 C ATOM 298 O ILE A 19 -2.259 -3.058 3.545 1.00 0.00 O ATOM 299 CB ILE A 19 -5.008 -3.731 1.756 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.920 -4.948 1.882 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.826 -3.965 0.811 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.146 -5.636 0.524 1.00 0.00 C ATOM 0 H ILE A 19 -4.138 -1.470 1.931 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.429 -3.333 3.806 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.605 -2.957 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.482 -5.660 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.880 -4.642 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.187 -4.390 -0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.327 -3.017 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.121 -4.655 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.800 -6.497 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.609 -4.932 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.189 -5.966 0.120 1.00 0.00 H new ATOM 314 N SER A 20 -3.327 -4.932 4.212 1.00 0.00 N ATOM 315 CA SER A 20 -2.033 -5.438 4.697 1.00 0.00 C ATOM 316 C SER A 20 -1.221 -5.929 3.494 1.00 0.00 C ATOM 317 O SER A 20 -1.740 -6.187 2.419 1.00 0.00 O ATOM 318 CB SER A 20 -2.170 -6.593 5.740 1.00 0.00 C ATOM 319 OG SER A 20 -0.970 -7.271 6.311 1.00 0.00 O ATOM 0 H SER A 20 -4.143 -5.531 4.337 1.00 0.00 H new ATOM 0 HA SER A 20 -1.532 -4.617 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.740 -6.196 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.782 -7.367 5.277 1.00 0.00 H new ATOM 0 HG SER A 20 -1.214 -7.718 7.148 1.00 0.00 H new ATOM 325 N ARG A 21 0.089 -6.043 3.756 1.00 0.00 N ATOM 326 CA ARG A 21 1.051 -6.508 2.763 1.00 0.00 C ATOM 327 C ARG A 21 0.558 -7.781 2.054 1.00 0.00 C ATOM 328 O ARG A 21 0.490 -7.824 0.837 1.00 0.00 O ATOM 329 CB ARG A 21 2.410 -6.786 3.441 1.00 0.00 C ATOM 330 CG ARG A 21 3.560 -7.086 2.459 1.00 0.00 C ATOM 331 CD ARG A 21 4.610 -5.977 2.373 1.00 0.00 C ATOM 332 NE ARG A 21 4.061 -4.835 1.648 1.00 0.00 N ATOM 333 CZ ARG A 21 3.631 -3.699 2.229 1.00 0.00 C ATOM 334 NH1 ARG A 21 3.708 -3.515 3.541 1.00 0.00 N ATOM 335 NH2 ARG A 21 3.116 -2.749 1.468 1.00 0.00 N ATOM 0 H ARG A 21 0.504 -5.815 4.660 1.00 0.00 H new ATOM 0 HA ARG A 21 1.164 -5.725 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.683 -5.923 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.298 -7.631 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.049 -8.012 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.142 -7.254 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.914 -5.672 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.502 -6.346 1.867 1.00 0.00 H new ATOM 0 HE ARG A 21 3.999 -4.902 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.101 -4.244 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.375 -2.644 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.050 -2.884 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.785 -1.881 1.890 1.00 0.00 H new ATOM 349 N LYS A 22 0.184 -8.792 2.871 1.00 0.00 N ATOM 350 CA LYS A 22 -0.254 -10.055 2.281 1.00 0.00 C ATOM 351 C LYS A 22 -1.601 -9.987 1.578 1.00 0.00 C ATOM 352 O LYS A 22 -1.899 -10.790 0.706 1.00 0.00 O ATOM 353 CB LYS A 22 -0.284 -11.219 3.282 1.00 0.00 C ATOM 354 CG LYS A 22 -1.518 -11.332 4.182 1.00 0.00 C ATOM 355 CD LYS A 22 -1.628 -10.187 5.161 1.00 0.00 C ATOM 356 CE LYS A 22 -0.676 -10.331 6.354 1.00 0.00 C ATOM 357 NZ LYS A 22 0.603 -9.669 6.141 1.00 0.00 N ATOM 0 H LYS A 22 0.179 -8.755 3.890 1.00 0.00 H new ATOM 0 HA LYS A 22 0.512 -10.246 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.187 -12.149 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.595 -11.138 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.414 -11.363 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.478 -12.273 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.416 -9.251 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.653 -10.124 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.151 -9.916 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.504 -11.389 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.253 -9.911 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.010 -9.983 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.461 -8.639 6.117 1.00 0.00 H new ATOM 371 N ASP A 23 -2.395 -8.998 2.026 1.00 0.00 N ATOM 372 CA ASP A 23 -3.729 -8.868 1.488 1.00 0.00 C ATOM 373 C ASP A 23 -3.686 -8.365 0.060 1.00 0.00 C ATOM 374 O ASP A 23 -4.251 -8.938 -0.852 1.00 0.00 O ATOM 375 CB ASP A 23 -4.554 -7.906 2.355 1.00 0.00 C ATOM 376 CG ASP A 23 -4.881 -8.444 3.756 1.00 0.00 C ATOM 377 OD1 ASP A 23 -4.795 -9.651 3.977 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.229 -7.635 4.614 1.00 0.00 O ATOM 0 H ASP A 23 -2.136 -8.309 2.732 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.199 -9.852 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.009 -6.968 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.487 -7.678 1.839 1.00 0.00 H new ATOM 383 N ALA A 24 -2.964 -7.261 -0.072 1.00 0.00 N ATOM 384 CA ALA A 24 -2.808 -6.633 -1.375 1.00 0.00 C ATOM 385 C ALA A 24 -2.225 -7.633 -2.393 1.00 0.00 C ATOM 386 O ALA A 24 -2.653 -7.736 -3.537 1.00 0.00 O ATOM 387 CB ALA A 24 -1.917 -5.396 -1.201 1.00 0.00 C ATOM 0 H ALA A 24 -2.484 -6.788 0.694 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.775 -6.322 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.784 -4.905 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.388 -4.703 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.946 -5.699 -0.811 1.00 0.00 H new ATOM 393 N GLU A 25 -1.254 -8.392 -1.857 1.00 0.00 N ATOM 394 CA GLU A 25 -0.556 -9.393 -2.629 1.00 0.00 C ATOM 395 C GLU A 25 -1.522 -10.493 -3.086 1.00 0.00 C ATOM 396 O GLU A 25 -1.431 -10.967 -4.209 1.00 0.00 O ATOM 397 CB GLU A 25 0.562 -10.039 -1.788 1.00 0.00 C ATOM 398 CG GLU A 25 1.791 -9.147 -1.580 1.00 0.00 C ATOM 399 CD GLU A 25 2.862 -9.876 -0.741 1.00 0.00 C ATOM 400 OE1 GLU A 25 2.794 -9.831 0.487 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.755 -10.483 -1.332 1.00 0.00 O ATOM 0 H GLU A 25 -0.946 -8.319 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.124 -8.900 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.156 -10.311 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.876 -10.964 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.209 -8.865 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.496 -8.225 -1.079 1.00 0.00 H new ATOM 408 N ARG A 26 -2.460 -10.847 -2.171 1.00 0.00 N ATOM 409 CA ARG A 26 -3.431 -11.917 -2.426 1.00 0.00 C ATOM 410 C ARG A 26 -4.240 -11.652 -3.711 1.00 0.00 C ATOM 411 O ARG A 26 -4.618 -12.557 -4.444 1.00 0.00 O ATOM 412 CB ARG A 26 -4.396 -12.093 -1.220 1.00 0.00 C ATOM 413 CG ARG A 26 -5.725 -11.289 -1.187 1.00 0.00 C ATOM 414 CD ARG A 26 -6.190 -10.876 0.221 1.00 0.00 C ATOM 415 NE ARG A 26 -7.597 -11.209 0.419 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.581 -10.316 0.650 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.352 -9.009 0.656 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.808 -10.757 0.886 1.00 0.00 N ATOM 0 H ARG A 26 -2.556 -10.404 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.865 -12.839 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.651 -13.151 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.840 -11.844 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.606 -10.391 -1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.508 -11.887 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.583 -11.381 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.042 -9.805 0.358 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.857 -12.195 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.411 -8.655 0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.117 -8.358 0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.998 -11.759 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.563 -10.094 1.063 1.00 0.00 H new ATOM 432 N GLN A 27 -4.451 -10.333 -3.912 1.00 0.00 N ATOM 433 CA GLN A 27 -5.244 -9.857 -5.042 1.00 0.00 C ATOM 434 C GLN A 27 -4.541 -10.003 -6.408 1.00 0.00 C ATOM 435 O GLN A 27 -5.174 -10.345 -7.401 1.00 0.00 O ATOM 436 CB GLN A 27 -5.669 -8.395 -4.793 1.00 0.00 C ATOM 437 CG GLN A 27 -6.300 -8.187 -3.406 1.00 0.00 C ATOM 438 CD GLN A 27 -6.961 -6.811 -3.253 1.00 0.00 C ATOM 439 OE1 GLN A 27 -6.318 -5.810 -2.966 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.289 -6.837 -3.436 1.00 0.00 N ATOM 0 H GLN A 27 -4.084 -9.596 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.123 -10.498 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.799 -7.746 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.381 -8.093 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.044 -8.964 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.532 -8.303 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.754 -7.713 -3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.834 -5.981 -3.337 1.00 0.00 H new ATOM 449 N LEU A 28 -3.215 -9.740 -6.408 1.00 0.00 N ATOM 450 CA LEU A 28 -2.446 -9.797 -7.653 1.00 0.00 C ATOM 451 C LEU A 28 -1.997 -11.227 -7.996 1.00 0.00 C ATOM 452 O LEU A 28 -1.881 -11.599 -9.156 1.00 0.00 O ATOM 453 CB LEU A 28 -1.269 -8.833 -7.549 1.00 0.00 C ATOM 454 CG LEU A 28 -1.743 -7.432 -7.170 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.563 -6.664 -6.614 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.368 -6.681 -8.351 1.00 0.00 C ATOM 0 H LEU A 28 -2.674 -9.493 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.086 -9.489 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.562 -9.196 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.739 -8.797 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.529 -7.524 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.881 -5.659 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.176 -7.178 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.219 -6.601 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.687 -5.691 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.632 -6.580 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.230 -7.237 -8.721 1.00 0.00 H new ATOM 468 N LEU A 29 -1.778 -11.995 -6.903 1.00 0.00 N ATOM 469 CA LEU A 29 -1.378 -13.393 -6.968 1.00 0.00 C ATOM 470 C LEU A 29 -2.555 -14.264 -7.451 1.00 0.00 C ATOM 471 O LEU A 29 -2.377 -15.429 -7.785 1.00 0.00 O ATOM 472 CB LEU A 29 -0.922 -13.828 -5.568 1.00 0.00 C ATOM 473 CG LEU A 29 0.445 -13.243 -5.166 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.598 -13.293 -3.645 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.573 -14.064 -5.809 1.00 0.00 C ATOM 0 H LEU A 29 -1.879 -11.645 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.560 -13.517 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.670 -13.521 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.869 -14.916 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 29 0.503 -12.210 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.566 -12.879 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.196 -12.709 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.534 -14.327 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.537 -13.645 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.510 -15.098 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.473 -14.032 -6.894 1.00 0.00 H new ATOM 487 N ALA A 30 -3.759 -13.641 -7.464 1.00 0.00 N ATOM 488 CA ALA A 30 -4.956 -14.327 -7.921 1.00 0.00 C ATOM 489 C ALA A 30 -4.808 -14.649 -9.424 1.00 0.00 C ATOM 490 O ALA A 30 -4.302 -13.838 -10.191 1.00 0.00 O ATOM 491 CB ALA A 30 -6.166 -13.408 -7.721 1.00 0.00 C ATOM 0 H ALA A 30 -3.909 -12.678 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.095 -15.249 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.069 -13.915 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.265 -13.162 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.026 -12.492 -8.295 1.00 0.00 H new ATOM 497 N PRO A 31 -5.298 -15.858 -9.824 1.00 0.00 N ATOM 498 CA PRO A 31 -5.227 -16.317 -11.215 1.00 0.00 C ATOM 499 C PRO A 31 -6.080 -15.505 -12.213 1.00 0.00 C ATOM 500 O PRO A 31 -6.101 -15.774 -13.407 1.00 0.00 O ATOM 501 CB PRO A 31 -5.700 -17.776 -11.151 1.00 0.00 C ATOM 502 CG PRO A 31 -6.549 -17.848 -9.883 1.00 0.00 C ATOM 503 CD PRO A 31 -5.931 -16.830 -8.938 1.00 0.00 C ATOM 0 HA PRO A 31 -4.214 -16.193 -11.598 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.281 -18.044 -12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.857 -18.465 -11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.592 -17.610 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.531 -18.849 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.687 -16.361 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.204 -17.295 -8.272 1.00 0.00 H new ATOM 511 N MET A 32 -6.776 -14.501 -11.642 1.00 0.00 N ATOM 512 CA MET A 32 -7.623 -13.599 -12.376 1.00 0.00 C ATOM 513 C MET A 32 -6.808 -12.552 -13.160 1.00 0.00 C ATOM 514 O MET A 32 -7.179 -12.141 -14.254 1.00 0.00 O ATOM 515 CB MET A 32 -8.467 -12.894 -11.318 1.00 0.00 C ATOM 516 CG MET A 32 -9.645 -13.724 -10.810 1.00 0.00 C ATOM 517 SD MET A 32 -9.171 -14.884 -9.514 1.00 0.00 S ATOM 518 CE MET A 32 -9.698 -13.910 -8.089 1.00 0.00 C ATOM 0 H MET A 32 -6.750 -14.309 -10.641 1.00 0.00 H new ATOM 0 HA MET A 32 -8.219 -14.142 -13.110 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.829 -12.632 -10.474 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.846 -11.960 -11.733 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.417 -13.056 -10.429 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.082 -14.275 -11.643 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.488 -14.462 -7.173 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.157 -12.964 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.768 -13.715 -8.157 1.00 0.00 H new ATOM 528 N ASN A 33 -5.688 -12.159 -12.511 1.00 0.00 N ATOM 529 CA ASN A 33 -4.776 -11.141 -13.047 1.00 0.00 C ATOM 530 C ASN A 33 -3.360 -11.699 -13.303 1.00 0.00 C ATOM 531 O ASN A 33 -3.104 -12.890 -13.191 1.00 0.00 O ATOM 532 CB ASN A 33 -4.710 -9.947 -12.080 1.00 0.00 C ATOM 533 CG ASN A 33 -6.103 -9.516 -11.633 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.876 -8.982 -12.412 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.372 -9.771 -10.344 1.00 0.00 N ATOM 0 H ASN A 33 -5.399 -12.539 -11.610 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.171 -10.817 -14.010 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.113 -10.215 -11.208 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.207 -9.111 -12.566 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.278 -9.514 -9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.671 -10.222 -9.756 1.00 0.00 H new ATOM 542 N LYS A 34 -2.471 -10.742 -13.658 1.00 0.00 N ATOM 543 CA LYS A 34 -1.074 -11.052 -13.950 1.00 0.00 C ATOM 544 C LYS A 34 -0.238 -9.762 -13.961 1.00 0.00 C ATOM 545 O LYS A 34 -0.765 -8.665 -13.840 1.00 0.00 O ATOM 546 CB LYS A 34 -0.951 -11.844 -15.268 1.00 0.00 C ATOM 547 CG LYS A 34 -1.553 -11.159 -16.509 1.00 0.00 C ATOM 548 CD LYS A 34 -0.672 -10.040 -17.073 1.00 0.00 C ATOM 549 CE LYS A 34 -1.114 -9.521 -18.446 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.439 -8.910 -18.445 1.00 0.00 N ATOM 0 H LYS A 34 -2.707 -9.754 -13.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.678 -11.693 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.104 -12.039 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.435 -12.812 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.718 -11.907 -17.284 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.529 -10.748 -16.251 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.665 -9.209 -16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.353 -10.403 -17.147 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.387 -8.790 -18.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.106 -10.347 -19.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.792 -8.846 -19.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.089 -9.492 -17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.381 -7.956 -18.034 1.00 0.00 H new ATOM 564 N ALA A 35 1.085 -9.974 -14.142 1.00 0.00 N ATOM 565 CA ALA A 35 2.093 -8.919 -14.198 1.00 0.00 C ATOM 566 C ALA A 35 1.622 -7.690 -14.999 1.00 0.00 C ATOM 567 O ALA A 35 1.318 -7.752 -16.184 1.00 0.00 O ATOM 568 CB ALA A 35 3.371 -9.482 -14.826 1.00 0.00 C ATOM 0 H ALA A 35 1.479 -10.908 -14.255 1.00 0.00 H new ATOM 0 HA ALA A 35 2.278 -8.584 -13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.129 -8.700 -14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.740 -10.310 -14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.155 -9.837 -15.834 1.00 0.00 H new ATOM 574 N GLY A 36 1.591 -6.581 -14.236 1.00 0.00 N ATOM 575 CA GLY A 36 1.179 -5.273 -14.715 1.00 0.00 C ATOM 576 C GLY A 36 -0.067 -4.776 -13.981 1.00 0.00 C ATOM 577 O GLY A 36 -0.283 -3.583 -13.806 1.00 0.00 O ATOM 0 H GLY A 36 1.859 -6.583 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.992 -4.561 -14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.977 -5.323 -15.785 1.00 0.00 H new ATOM 581 N SER A 37 -0.876 -5.764 -13.552 1.00 0.00 N ATOM 582 CA SER A 37 -2.025 -5.473 -12.706 1.00 0.00 C ATOM 583 C SER A 37 -1.376 -5.106 -11.351 1.00 0.00 C ATOM 584 O SER A 37 -0.503 -5.828 -10.868 1.00 0.00 O ATOM 585 CB SER A 37 -2.892 -6.756 -12.534 1.00 0.00 C ATOM 586 OG SER A 37 -2.294 -7.922 -11.842 1.00 0.00 O ATOM 0 H SER A 37 -0.750 -6.751 -13.778 1.00 0.00 H new ATOM 0 HA SER A 37 -2.672 -4.693 -13.108 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.796 -6.476 -11.993 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.203 -7.082 -13.526 1.00 0.00 H new ATOM 0 HG SER A 37 -1.510 -8.233 -12.342 1.00 0.00 H new ATOM 592 N PHE A 38 -1.793 -3.930 -10.825 1.00 0.00 N ATOM 593 CA PHE A 38 -1.240 -3.380 -9.587 1.00 0.00 C ATOM 594 C PHE A 38 -2.406 -2.920 -8.654 1.00 0.00 C ATOM 595 O PHE A 38 -3.584 -2.993 -8.985 1.00 0.00 O ATOM 596 CB PHE A 38 -0.467 -2.055 -9.913 1.00 0.00 C ATOM 597 CG PHE A 38 0.873 -2.064 -10.612 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.349 -3.072 -11.433 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.697 -0.962 -10.411 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.605 -2.969 -12.018 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.977 -0.883 -10.931 1.00 0.00 C ATOM 602 CZ PHE A 38 3.438 -1.899 -11.746 1.00 0.00 C ATOM 0 H PHE A 38 -2.516 -3.349 -11.250 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.609 -4.143 -9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.134 -1.442 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.325 -1.532 -8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.740 -3.944 -11.620 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.323 -0.135 -9.826 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.937 -3.739 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.608 -0.037 -10.702 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.433 -1.858 -12.164 1.00 0.00 H new ATOM 612 N LEU A 39 -1.924 -2.407 -7.488 1.00 0.00 N ATOM 613 CA LEU A 39 -2.678 -1.789 -6.381 1.00 0.00 C ATOM 614 C LEU A 39 -1.741 -0.668 -5.888 1.00 0.00 C ATOM 615 O LEU A 39 -0.562 -0.733 -6.205 1.00 0.00 O ATOM 616 CB LEU A 39 -2.864 -2.675 -5.126 1.00 0.00 C ATOM 617 CG LEU A 39 -2.913 -4.178 -5.351 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.311 -4.912 -4.164 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.302 -4.721 -5.499 1.00 0.00 C ATOM 0 H LEU A 39 -0.923 -2.420 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.667 -1.527 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.049 -2.461 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.788 -2.375 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.358 -4.337 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.354 -5.987 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.273 -4.606 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.874 -4.670 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.257 -5.799 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.873 -4.510 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.788 -4.250 -6.353 1.00 0.00 H new ATOM 631 N ILE A 40 -2.237 0.317 -5.095 1.00 0.00 N ATOM 632 CA ILE A 40 -1.231 1.296 -4.651 1.00 0.00 C ATOM 633 C ILE A 40 -1.729 1.562 -3.197 1.00 0.00 C ATOM 634 O ILE A 40 -2.485 2.476 -2.902 1.00 0.00 O ATOM 635 CB ILE A 40 -1.221 2.458 -5.691 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.146 3.106 -5.885 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.040 3.672 -5.252 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.266 3.544 -7.362 1.00 0.00 C ATOM 0 H ILE A 40 -3.200 0.446 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.175 1.030 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.601 1.950 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.257 3.965 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.940 2.403 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.990 4.442 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.078 3.376 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.637 4.065 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.237 4.011 -7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.169 2.672 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.524 4.258 -7.595 1.00 0.00 H new ATOM 650 N ARG A 41 -1.304 0.616 -2.328 1.00 0.00 N ATOM 651 CA ARG A 41 -1.739 0.598 -0.937 1.00 0.00 C ATOM 652 C ARG A 41 -0.977 1.661 -0.109 1.00 0.00 C ATOM 653 O ARG A 41 0.247 1.699 -0.098 1.00 0.00 O ATOM 654 CB ARG A 41 -1.649 -0.863 -0.439 1.00 0.00 C ATOM 655 CG ARG A 41 -0.328 -1.302 0.196 1.00 0.00 C ATOM 656 CD ARG A 41 -0.331 -0.983 1.697 1.00 0.00 C ATOM 657 NE ARG A 41 1.004 -0.706 2.180 1.00 0.00 N ATOM 658 CZ ARG A 41 1.285 -0.483 3.479 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.357 -0.630 4.417 1.00 0.00 N ATOM 660 NH2 ARG A 41 2.509 -0.103 3.813 1.00 0.00 N ATOM 0 H ARG A 41 -0.663 -0.137 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.780 0.899 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.444 -1.022 0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.854 -1.521 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.180 -2.371 0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.505 -0.793 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.974 -0.123 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.752 -1.824 2.248 1.00 0.00 H new ATOM 0 HE ARG A 41 1.769 -0.678 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.588 -0.916 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.589 -0.457 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.221 0.016 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.740 0.070 4.791 1.00 0.00 H new ATOM 674 N GLU A 42 -1.780 2.510 0.581 1.00 0.00 N ATOM 675 CA GLU A 42 -1.217 3.595 1.394 1.00 0.00 C ATOM 676 C GLU A 42 -0.458 3.085 2.627 1.00 0.00 C ATOM 677 O GLU A 42 -0.670 1.978 3.103 1.00 0.00 O ATOM 678 CB GLU A 42 -2.307 4.615 1.799 1.00 0.00 C ATOM 679 CG GLU A 42 -3.269 4.169 2.888 1.00 0.00 C ATOM 680 CD GLU A 42 -4.503 5.093 2.962 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.335 6.268 3.279 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.615 4.628 2.710 1.00 0.00 O ATOM 0 H GLU A 42 -2.799 2.459 0.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.486 4.102 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.815 5.530 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.887 4.868 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.590 3.145 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.756 4.166 3.850 1.00 0.00 H new ATOM 689 N SER A 43 0.464 3.961 3.082 1.00 0.00 N ATOM 690 CA SER A 43 1.241 3.687 4.283 1.00 0.00 C ATOM 691 C SER A 43 0.541 4.502 5.385 1.00 0.00 C ATOM 692 O SER A 43 0.691 5.710 5.476 1.00 0.00 O ATOM 693 CB SER A 43 2.703 4.182 4.099 1.00 0.00 C ATOM 694 OG SER A 43 3.687 3.938 5.186 1.00 0.00 O ATOM 0 H SER A 43 0.678 4.851 2.633 1.00 0.00 H new ATOM 0 HA SER A 43 1.290 2.623 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.094 3.723 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.667 5.257 3.922 1.00 0.00 H new ATOM 0 HG SER A 43 3.400 4.405 5.998 1.00 0.00 H new ATOM 700 N GLU A 44 -0.238 3.777 6.201 1.00 0.00 N ATOM 701 CA GLU A 44 -1.045 4.364 7.266 1.00 0.00 C ATOM 702 C GLU A 44 -0.288 5.271 8.272 1.00 0.00 C ATOM 703 O GLU A 44 -0.896 6.080 8.962 1.00 0.00 O ATOM 704 CB GLU A 44 -1.825 3.228 7.938 1.00 0.00 C ATOM 705 CG GLU A 44 -0.989 2.000 8.356 1.00 0.00 C ATOM 706 CD GLU A 44 0.125 2.319 9.364 1.00 0.00 C ATOM 707 OE1 GLU A 44 -0.188 2.690 10.495 1.00 0.00 O ATOM 708 OE2 GLU A 44 1.297 2.192 9.004 1.00 0.00 O ATOM 0 H GLU A 44 -0.322 2.763 6.136 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.727 5.080 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.320 3.626 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.608 2.897 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.653 1.251 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.544 1.556 7.466 1.00 0.00 H new ATOM 715 N SER A 45 1.043 5.112 8.310 1.00 0.00 N ATOM 716 CA SER A 45 1.916 5.863 9.201 1.00 0.00 C ATOM 717 C SER A 45 2.120 7.333 8.770 1.00 0.00 C ATOM 718 O SER A 45 2.414 8.193 9.590 1.00 0.00 O ATOM 719 CB SER A 45 3.297 5.170 9.082 1.00 0.00 C ATOM 720 OG SER A 45 3.894 5.058 7.725 1.00 0.00 O ATOM 0 H SER A 45 1.541 4.450 7.714 1.00 0.00 H new ATOM 0 HA SER A 45 1.479 5.875 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.000 5.711 9.715 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.205 4.165 9.493 1.00 0.00 H new ATOM 0 HG SER A 45 4.761 4.605 7.785 1.00 0.00 H new ATOM 726 N ASN A 46 1.967 7.565 7.451 1.00 0.00 N ATOM 727 CA ASN A 46 2.177 8.877 6.843 1.00 0.00 C ATOM 728 C ASN A 46 0.930 9.359 6.069 1.00 0.00 C ATOM 729 O ASN A 46 -0.142 8.766 6.090 1.00 0.00 O ATOM 730 CB ASN A 46 3.371 8.754 5.873 1.00 0.00 C ATOM 731 CG ASN A 46 3.238 7.502 5.054 1.00 0.00 C ATOM 732 OD1 ASN A 46 2.321 7.367 4.260 1.00 0.00 O ATOM 733 ND2 ASN A 46 4.238 6.634 5.273 1.00 0.00 N ATOM 0 H ASN A 46 1.694 6.843 6.785 1.00 0.00 H new ATOM 0 HA ASN A 46 2.372 9.609 7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.410 9.625 5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.306 8.735 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.279 5.760 4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.957 6.848 5.964 1.00 0.00 H new ATOM 740 N LYS A 47 1.201 10.491 5.387 1.00 0.00 N ATOM 741 CA LYS A 47 0.273 11.201 4.525 1.00 0.00 C ATOM 742 C LYS A 47 0.168 10.529 3.145 1.00 0.00 C ATOM 743 O LYS A 47 -0.442 9.483 2.969 1.00 0.00 O ATOM 744 CB LYS A 47 0.579 12.710 4.521 1.00 0.00 C ATOM 745 CG LYS A 47 2.080 12.987 4.415 1.00 0.00 C ATOM 746 CD LYS A 47 2.761 13.169 5.780 1.00 0.00 C ATOM 747 CE LYS A 47 2.816 14.625 6.259 1.00 0.00 C ATOM 748 NZ LYS A 47 1.510 15.168 6.624 1.00 0.00 N ATOM 0 H LYS A 47 2.114 10.943 5.433 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.738 11.130 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.063 13.183 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.190 13.162 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.558 12.163 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.236 13.884 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.230 12.573 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.777 12.777 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.482 14.691 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.250 15.242 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.623 16.142 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.888 15.167 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.087 14.582 7.372 1.00 0.00 H new ATOM 762 N GLY A 48 0.826 11.205 2.203 1.00 0.00 N ATOM 763 CA GLY A 48 0.883 10.796 0.814 1.00 0.00 C ATOM 764 C GLY A 48 1.885 9.675 0.511 1.00 0.00 C ATOM 765 O GLY A 48 2.265 9.505 -0.637 1.00 0.00 O ATOM 0 H GLY A 48 1.340 12.065 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.110 10.469 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.136 11.664 0.205 1.00 0.00 H new ATOM 769 N ALA A 49 2.335 8.932 1.551 1.00 0.00 N ATOM 770 CA ALA A 49 3.263 7.832 1.243 1.00 0.00 C ATOM 771 C ALA A 49 2.434 6.557 1.004 1.00 0.00 C ATOM 772 O ALA A 49 1.519 6.252 1.754 1.00 0.00 O ATOM 773 CB ALA A 49 4.345 7.606 2.315 1.00 0.00 C ATOM 0 H ALA A 49 2.092 9.061 2.533 1.00 0.00 H new ATOM 0 HA ALA A 49 3.820 8.104 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.988 6.779 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.944 8.510 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.870 7.368 3.267 1.00 0.00 H new ATOM 779 N PHE A 50 2.797 5.867 -0.092 1.00 0.00 N ATOM 780 CA PHE A 50 2.132 4.641 -0.508 1.00 0.00 C ATOM 781 C PHE A 50 3.207 3.549 -0.698 1.00 0.00 C ATOM 782 O PHE A 50 4.381 3.723 -0.396 1.00 0.00 O ATOM 783 CB PHE A 50 1.385 4.918 -1.840 1.00 0.00 C ATOM 784 CG PHE A 50 0.164 5.789 -1.707 1.00 0.00 C ATOM 785 CD1 PHE A 50 0.287 7.171 -1.656 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.106 5.229 -1.661 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.835 7.984 -1.556 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.234 6.035 -1.564 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.099 7.415 -1.510 1.00 0.00 C ATOM 0 H PHE A 50 3.560 6.152 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 50 1.412 4.305 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.077 5.390 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.089 3.966 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.268 7.620 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.218 4.156 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.723 9.057 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.216 5.587 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.974 8.043 -1.433 1.00 0.00 H new ATOM 799 N SER A 51 2.704 2.426 -1.245 1.00 0.00 N ATOM 800 CA SER A 51 3.475 1.240 -1.605 1.00 0.00 C ATOM 801 C SER A 51 2.914 0.788 -2.963 1.00 0.00 C ATOM 802 O SER A 51 1.811 1.196 -3.309 1.00 0.00 O ATOM 803 CB SER A 51 3.293 0.143 -0.524 1.00 0.00 C ATOM 804 OG SER A 51 3.041 0.597 0.867 1.00 0.00 O ATOM 0 H SER A 51 1.711 2.325 -1.453 1.00 0.00 H new ATOM 0 HA SER A 51 4.545 1.440 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.463 -0.495 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.188 -0.479 -0.520 1.00 0.00 H new ATOM 0 HG SER A 51 3.895 0.704 1.336 1.00 0.00 H new ATOM 810 N LEU A 52 3.666 -0.056 -3.707 1.00 0.00 N ATOM 811 CA LEU A 52 3.136 -0.442 -5.022 1.00 0.00 C ATOM 812 C LEU A 52 3.426 -1.916 -5.362 1.00 0.00 C ATOM 813 O LEU A 52 4.525 -2.278 -5.758 1.00 0.00 O ATOM 814 CB LEU A 52 3.719 0.572 -6.032 1.00 0.00 C ATOM 815 CG LEU A 52 3.216 0.452 -7.480 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.689 0.383 -7.515 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.719 1.622 -8.350 1.00 0.00 C ATOM 0 H LEU A 52 4.568 -0.452 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 52 2.047 -0.397 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.498 1.578 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.804 0.467 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 52 3.619 -0.472 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.352 0.298 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.351 -0.486 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.274 1.288 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.345 1.506 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.359 2.564 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.809 1.624 -8.362 1.00 0.00 H new ATOM 829 N SER A 53 2.332 -2.704 -5.189 1.00 0.00 N ATOM 830 CA SER A 53 2.235 -4.151 -5.388 1.00 0.00 C ATOM 831 C SER A 53 1.991 -4.459 -6.881 1.00 0.00 C ATOM 832 O SER A 53 1.123 -3.865 -7.505 1.00 0.00 O ATOM 833 CB SER A 53 1.072 -4.662 -4.480 1.00 0.00 C ATOM 834 OG SER A 53 0.906 -4.063 -3.127 1.00 0.00 O ATOM 0 H SER A 53 1.443 -2.306 -4.887 1.00 0.00 H new ATOM 0 HA SER A 53 3.158 -4.661 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.139 -4.515 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.200 -5.737 -4.352 1.00 0.00 H new ATOM 0 HG SER A 53 0.323 -4.635 -2.585 1.00 0.00 H new ATOM 840 N VAL A 54 2.796 -5.414 -7.409 1.00 0.00 N ATOM 841 CA VAL A 54 2.693 -5.836 -8.816 1.00 0.00 C ATOM 842 C VAL A 54 2.982 -7.324 -8.882 1.00 0.00 C ATOM 843 O VAL A 54 3.829 -7.792 -8.143 1.00 0.00 O ATOM 844 CB VAL A 54 3.777 -5.195 -9.693 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.629 -5.565 -11.184 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.885 -3.713 -9.373 1.00 0.00 C ATOM 0 H VAL A 54 3.519 -5.901 -6.879 1.00 0.00 H new ATOM 0 HA VAL A 54 1.700 -5.552 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 54 4.751 -5.618 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.421 -5.085 -11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.701 -6.646 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.660 -5.225 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.656 -3.261 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.929 -3.228 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.148 -3.586 -8.323 1.00 0.00 H new ATOM 856 N LYS A 55 2.304 -8.047 -9.802 1.00 0.00 N ATOM 857 CA LYS A 55 2.601 -9.483 -9.839 1.00 0.00 C ATOM 858 C LYS A 55 3.919 -9.768 -10.614 1.00 0.00 C ATOM 859 O LYS A 55 3.899 -9.814 -11.835 1.00 0.00 O ATOM 860 CB LYS A 55 1.384 -10.137 -10.499 1.00 0.00 C ATOM 861 CG LYS A 55 1.313 -11.656 -10.648 1.00 0.00 C ATOM 862 CD LYS A 55 1.338 -12.448 -9.340 1.00 0.00 C ATOM 863 CE LYS A 55 2.741 -12.620 -8.768 1.00 0.00 C ATOM 864 NZ LYS A 55 3.749 -12.949 -9.765 1.00 0.00 N ATOM 0 H LYS A 55 1.613 -7.698 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 55 2.766 -9.890 -8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.505 -9.826 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.289 -9.710 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.400 -11.908 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.149 -11.982 -11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.712 -11.942 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.899 -13.431 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.032 -11.699 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.721 -13.406 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.695 -12.868 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.602 -13.923 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.671 -12.292 -10.567 1.00 0.00 H new ATOM 878 N ASP A 56 5.055 -9.969 -9.886 1.00 0.00 N ATOM 879 CA ASP A 56 6.310 -10.263 -10.584 1.00 0.00 C ATOM 880 C ASP A 56 6.369 -11.753 -11.001 1.00 0.00 C ATOM 881 O ASP A 56 6.553 -12.667 -10.208 1.00 0.00 O ATOM 882 CB ASP A 56 7.483 -9.702 -9.781 1.00 0.00 C ATOM 883 CG ASP A 56 8.826 -9.682 -10.539 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.179 -10.688 -11.156 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.504 -8.654 -10.500 1.00 0.00 O ATOM 0 H ASP A 56 5.115 -9.933 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 56 6.376 -9.747 -11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.241 -8.686 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.601 -10.294 -8.873 1.00 0.00 H new ATOM 890 N ILE A 57 6.140 -11.914 -12.324 1.00 0.00 N ATOM 891 CA ILE A 57 6.127 -13.221 -12.976 1.00 0.00 C ATOM 892 C ILE A 57 7.473 -13.474 -13.673 1.00 0.00 C ATOM 893 O ILE A 57 7.896 -12.766 -14.578 1.00 0.00 O ATOM 894 CB ILE A 57 4.932 -13.321 -13.939 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.629 -13.067 -13.161 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.896 -14.693 -14.639 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.350 -13.314 -13.950 1.00 0.00 C ATOM 0 H ILE A 57 5.961 -11.136 -12.959 1.00 0.00 H new ATOM 0 HA ILE A 57 6.000 -14.005 -12.229 1.00 0.00 H new ATOM 0 HB ILE A 57 5.039 -12.564 -14.716 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.621 -13.704 -12.277 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.628 -12.035 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.041 -14.735 -15.314 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.815 -14.835 -15.208 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.807 -15.481 -13.891 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.487 -13.108 -13.317 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.327 -12.658 -14.820 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.320 -14.353 -14.278 1.00 0.00 H new ATOM 909 N THR A 58 8.089 -14.559 -13.167 1.00 0.00 N ATOM 910 CA THR A 58 9.390 -15.035 -13.617 1.00 0.00 C ATOM 911 C THR A 58 9.430 -16.562 -13.495 1.00 0.00 C ATOM 912 O THR A 58 8.564 -17.161 -12.868 1.00 0.00 O ATOM 913 CB THR A 58 10.503 -14.422 -12.712 1.00 0.00 C ATOM 914 OG1 THR A 58 11.877 -14.833 -13.001 1.00 0.00 O ATOM 915 CG2 THR A 58 10.117 -14.473 -11.198 1.00 0.00 C ATOM 0 H THR A 58 7.683 -15.130 -12.425 1.00 0.00 H new ATOM 0 HA THR A 58 9.554 -14.739 -14.653 1.00 0.00 H new ATOM 0 HB THR A 58 10.535 -13.370 -12.996 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.489 -14.389 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.919 -14.036 -10.603 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.198 -13.909 -11.038 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.964 -15.509 -10.896 1.00 0.00 H new ATOM 923 N THR A 59 10.486 -17.164 -14.102 1.00 0.00 N ATOM 924 CA THR A 59 10.607 -18.623 -14.030 1.00 0.00 C ATOM 925 C THR A 59 11.011 -19.111 -12.621 1.00 0.00 C ATOM 926 O THR A 59 11.068 -20.310 -12.382 1.00 0.00 O ATOM 927 CB THR A 59 11.549 -19.254 -15.107 1.00 0.00 C ATOM 928 OG1 THR A 59 11.798 -20.697 -15.006 1.00 0.00 O ATOM 929 CG2 THR A 59 12.853 -18.436 -15.334 1.00 0.00 C ATOM 0 H THR A 59 11.223 -16.683 -14.618 1.00 0.00 H new ATOM 0 HA THR A 59 9.601 -18.978 -14.254 1.00 0.00 H new ATOM 0 HB THR A 59 10.949 -19.174 -16.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.611 -20.998 -14.092 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.463 -18.927 -16.093 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.598 -17.430 -15.668 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.413 -18.377 -14.401 1.00 0.00 H new ATOM 937 N GLN A 60 11.280 -18.147 -11.707 1.00 0.00 N ATOM 938 CA GLN A 60 11.649 -18.532 -10.341 1.00 0.00 C ATOM 939 C GLN A 60 10.412 -18.613 -9.415 1.00 0.00 C ATOM 940 O GLN A 60 10.457 -19.268 -8.381 1.00 0.00 O ATOM 941 CB GLN A 60 12.715 -17.589 -9.771 1.00 0.00 C ATOM 942 CG GLN A 60 14.099 -17.802 -10.416 1.00 0.00 C ATOM 943 CD GLN A 60 14.789 -19.054 -9.856 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.797 -20.112 -10.470 1.00 0.00 O ATOM 945 NE2 GLN A 60 15.364 -18.866 -8.657 1.00 0.00 N ATOM 0 H GLN A 60 11.249 -17.143 -11.887 1.00 0.00 H new ATOM 0 HA GLN A 60 12.080 -19.532 -10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.401 -16.556 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.792 -17.742 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.988 -17.898 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.725 -16.928 -10.236 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.315 -17.953 -8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.849 -19.637 -8.198 1.00 0.00 H new ATOM 954 N GLY A 61 9.321 -17.926 -9.829 1.00 0.00 N ATOM 955 CA GLY A 61 8.105 -17.958 -9.023 1.00 0.00 C ATOM 956 C GLY A 61 7.231 -16.713 -9.205 1.00 0.00 C ATOM 957 O GLY A 61 7.681 -15.645 -9.601 1.00 0.00 O ATOM 0 H GLY A 61 9.268 -17.369 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.525 -18.843 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.376 -18.054 -7.971 1.00 0.00 H new ATOM 961 N GLU A 62 5.944 -16.944 -8.878 1.00 0.00 N ATOM 962 CA GLU A 62 4.904 -15.936 -8.933 1.00 0.00 C ATOM 963 C GLU A 62 4.904 -15.183 -7.578 1.00 0.00 C ATOM 964 O GLU A 62 4.280 -15.603 -6.613 1.00 0.00 O ATOM 965 CB GLU A 62 3.607 -16.727 -9.190 1.00 0.00 C ATOM 966 CG GLU A 62 2.575 -15.932 -9.980 1.00 0.00 C ATOM 967 CD GLU A 62 1.335 -16.770 -10.340 1.00 0.00 C ATOM 968 OE1 GLU A 62 1.495 -17.860 -10.891 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.223 -16.318 -10.070 1.00 0.00 O ATOM 0 H GLU A 62 5.608 -17.855 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 62 5.033 -15.182 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.847 -17.642 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.175 -17.026 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.266 -15.064 -9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.033 -15.556 -10.895 1.00 0.00 H new ATOM 976 N VAL A 63 5.650 -14.058 -7.568 1.00 0.00 N ATOM 977 CA VAL A 63 5.834 -13.225 -6.380 1.00 0.00 C ATOM 978 C VAL A 63 5.277 -11.852 -6.702 1.00 0.00 C ATOM 979 O VAL A 63 5.274 -11.520 -7.870 1.00 0.00 O ATOM 980 CB VAL A 63 7.360 -13.063 -6.172 1.00 0.00 C ATOM 981 CG1 VAL A 63 8.074 -14.418 -6.089 1.00 0.00 C ATOM 982 CG2 VAL A 63 8.033 -12.156 -7.242 1.00 0.00 C ATOM 0 H VAL A 63 6.140 -13.708 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 63 5.350 -13.658 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 63 7.469 -12.557 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.142 -14.258 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.675 -14.989 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.913 -14.971 -7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.101 -12.084 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.880 -12.586 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.589 -11.161 -7.207 1.00 0.00 H new ATOM 992 N VAL A 64 4.820 -11.060 -5.706 1.00 0.00 N ATOM 993 CA VAL A 64 4.366 -9.704 -6.057 1.00 0.00 C ATOM 994 C VAL A 64 5.663 -8.850 -6.149 1.00 0.00 C ATOM 995 O VAL A 64 6.716 -9.384 -6.423 1.00 0.00 O ATOM 996 CB VAL A 64 3.284 -9.241 -5.042 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.569 -7.905 -5.313 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.135 -10.225 -5.071 1.00 0.00 C ATOM 0 H VAL A 64 4.758 -11.315 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 64 3.853 -9.619 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 64 3.858 -9.154 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.843 -7.714 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.302 -7.098 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.055 -7.955 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.369 -9.911 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.710 -10.258 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.498 -11.216 -4.797 1.00 0.00 H new ATOM 1008 N LYS A 65 5.550 -7.535 -5.992 1.00 0.00 N ATOM 1009 CA LYS A 65 6.663 -6.562 -5.959 1.00 0.00 C ATOM 1010 C LYS A 65 6.151 -5.294 -5.289 1.00 0.00 C ATOM 1011 O LYS A 65 5.189 -4.730 -5.770 1.00 0.00 O ATOM 1012 CB LYS A 65 7.233 -6.128 -7.324 1.00 0.00 C ATOM 1013 CG LYS A 65 8.341 -7.055 -7.847 1.00 0.00 C ATOM 1014 CD LYS A 65 9.696 -6.840 -7.165 1.00 0.00 C ATOM 1015 CE LYS A 65 10.391 -5.544 -7.591 1.00 0.00 C ATOM 1016 NZ LYS A 65 11.698 -5.408 -6.954 1.00 0.00 N ATOM 0 H LYS A 65 4.641 -7.086 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 65 7.470 -7.074 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.423 -6.095 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.627 -5.115 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.033 -8.091 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.456 -6.901 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.553 -6.829 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.347 -7.684 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.509 -5.532 -8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.766 -4.691 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.144 -4.520 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.581 -5.396 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.301 -6.211 -7.225 1.00 0.00 H new ATOM 1030 N HIS A 66 6.841 -4.855 -4.216 1.00 0.00 N ATOM 1031 CA HIS A 66 6.435 -3.654 -3.479 1.00 0.00 C ATOM 1032 C HIS A 66 7.491 -2.536 -3.577 1.00 0.00 C ATOM 1033 O HIS A 66 8.561 -2.632 -2.990 1.00 0.00 O ATOM 1034 CB HIS A 66 6.247 -4.020 -2.000 1.00 0.00 C ATOM 1035 CG HIS A 66 5.192 -5.090 -1.859 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.010 -5.069 -2.505 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.242 -6.239 -1.057 1.00 0.00 C ATOM 1038 CE1 HIS A 66 3.354 -6.169 -2.103 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.074 -6.893 -1.229 1.00 0.00 N ATOM 0 H HIS A 66 7.674 -5.314 -3.848 1.00 0.00 H new ATOM 0 HA HIS A 66 5.507 -3.287 -3.918 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.190 -4.371 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.957 -3.136 -1.433 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.681 -4.363 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.061 -6.543 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.365 -6.440 -2.442 1.00 0.00 H new ATOM 1047 N TYR A 67 7.137 -1.474 -4.338 1.00 0.00 N ATOM 1048 CA TYR A 67 8.043 -0.329 -4.465 1.00 0.00 C ATOM 1049 C TYR A 67 7.668 0.682 -3.356 1.00 0.00 C ATOM 1050 O TYR A 67 6.724 0.466 -2.603 1.00 0.00 O ATOM 1051 CB TYR A 67 7.951 0.315 -5.855 1.00 0.00 C ATOM 1052 CG TYR A 67 8.036 -0.673 -6.987 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.254 -1.142 -7.468 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.874 -1.102 -7.602 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.301 -2.002 -8.562 1.00 0.00 C ATOM 1056 CE2 TYR A 67 6.906 -1.957 -8.687 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.126 -2.405 -9.203 1.00 0.00 C ATOM 1058 OH TYR A 67 8.212 -3.155 -10.377 1.00 0.00 O ATOM 0 H TYR A 67 6.260 -1.393 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 67 9.076 -0.657 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.011 0.861 -5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.753 1.045 -5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.172 -0.836 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.921 -0.761 -7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.255 -2.361 -8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.981 -2.282 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 67 7.365 -3.096 -10.866 1.00 0.00 H new ATOM 1068 N LYS A 68 8.448 1.786 -3.310 1.00 0.00 N ATOM 1069 CA LYS A 68 8.250 2.833 -2.314 1.00 0.00 C ATOM 1070 C LYS A 68 8.093 4.234 -2.951 1.00 0.00 C ATOM 1071 O LYS A 68 9.028 4.901 -3.370 1.00 0.00 O ATOM 1072 CB LYS A 68 9.368 2.783 -1.271 1.00 0.00 C ATOM 1073 CG LYS A 68 10.760 2.764 -1.891 1.00 0.00 C ATOM 1074 CD LYS A 68 11.216 1.350 -2.283 1.00 0.00 C ATOM 1075 CE LYS A 68 12.420 0.855 -1.479 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.117 0.709 -0.059 1.00 0.00 N ATOM 0 H LYS A 68 9.217 1.964 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 68 7.306 2.642 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.282 3.647 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.240 1.895 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.768 3.402 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.474 3.189 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.386 0.657 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.467 1.338 -3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.751 -0.104 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.248 1.554 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.963 0.372 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.827 1.629 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.345 0.022 0.063 1.00 0.00 H new ATOM 1090 N ILE A 69 6.805 4.594 -2.960 1.00 0.00 N ATOM 1091 CA ILE A 69 6.237 5.856 -3.428 1.00 0.00 C ATOM 1092 C ILE A 69 6.084 6.885 -2.306 1.00 0.00 C ATOM 1093 O ILE A 69 5.208 6.784 -1.462 1.00 0.00 O ATOM 1094 CB ILE A 69 4.989 5.668 -4.299 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.238 4.391 -3.949 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.028 6.099 -5.774 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.010 4.265 -4.795 1.00 0.00 C ATOM 0 H ILE A 69 6.082 3.962 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 69 6.970 6.294 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 69 4.338 6.488 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.884 3.527 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.963 4.400 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.063 5.895 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.242 7.166 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.807 5.542 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.482 3.348 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.358 5.121 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.294 4.234 -5.847 1.00 0.00 H new ATOM 1109 N ARG A 70 6.987 7.880 -2.356 1.00 0.00 N ATOM 1110 CA ARG A 70 6.909 8.962 -1.382 1.00 0.00 C ATOM 1111 C ARG A 70 6.028 10.025 -2.017 1.00 0.00 C ATOM 1112 O ARG A 70 5.647 9.926 -3.173 1.00 0.00 O ATOM 1113 CB ARG A 70 8.293 9.562 -1.087 1.00 0.00 C ATOM 1114 CG ARG A 70 9.157 8.663 -0.206 1.00 0.00 C ATOM 1115 CD ARG A 70 9.778 7.549 -1.035 1.00 0.00 C ATOM 1116 NE ARG A 70 10.797 6.831 -0.275 1.00 0.00 N ATOM 1117 CZ ARG A 70 12.055 7.300 -0.133 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.431 8.418 -0.736 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.923 6.636 0.619 1.00 0.00 N ATOM 0 H ARG A 70 7.746 7.951 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 70 6.513 8.594 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.811 9.746 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.167 10.528 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.941 9.253 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.552 8.236 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.002 6.854 -1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.222 7.968 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 70 10.550 5.944 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.768 8.933 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.384 8.763 -0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.639 5.775 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.875 6.986 0.729 1.00 0.00 H new ATOM 1133 N SER A 71 5.741 11.028 -1.181 1.00 0.00 N ATOM 1134 CA SER A 71 4.938 12.156 -1.597 1.00 0.00 C ATOM 1135 C SER A 71 5.760 13.422 -1.360 1.00 0.00 C ATOM 1136 O SER A 71 6.092 13.771 -0.234 1.00 0.00 O ATOM 1137 CB SER A 71 3.654 12.180 -0.743 1.00 0.00 C ATOM 1138 OG SER A 71 3.747 11.830 0.699 1.00 0.00 O ATOM 0 H SER A 71 6.059 11.071 -0.213 1.00 0.00 H new ATOM 0 HA SER A 71 4.663 12.088 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.230 13.182 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.939 11.498 -1.203 1.00 0.00 H new ATOM 0 HG SER A 71 3.171 12.428 1.219 1.00 0.00 H new ATOM 1144 N LEU A 72 6.062 14.075 -2.497 1.00 0.00 N ATOM 1145 CA LEU A 72 6.879 15.271 -2.526 1.00 0.00 C ATOM 1146 C LEU A 72 6.000 16.506 -2.607 1.00 0.00 C ATOM 1147 O LEU A 72 4.911 16.508 -3.167 1.00 0.00 O ATOM 1148 CB LEU A 72 7.822 15.210 -3.736 1.00 0.00 C ATOM 1149 CG LEU A 72 8.480 13.849 -3.939 1.00 0.00 C ATOM 1150 CD1 LEU A 72 9.080 13.324 -2.627 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.530 12.874 -4.654 1.00 0.00 C ATOM 0 H LEU A 72 5.738 13.776 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 72 7.468 15.329 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.262 15.469 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.600 15.964 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 72 9.329 13.957 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.542 12.352 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.833 14.024 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.291 13.222 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.026 11.912 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.629 12.739 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.260 13.279 -5.629 1.00 0.00 H new ATOM 1163 N ASP A 73 6.594 17.552 -2.015 1.00 0.00 N ATOM 1164 CA ASP A 73 5.947 18.856 -1.954 1.00 0.00 C ATOM 1165 C ASP A 73 5.744 19.495 -3.334 1.00 0.00 C ATOM 1166 O ASP A 73 4.771 20.205 -3.560 1.00 0.00 O ATOM 1167 CB ASP A 73 6.752 19.822 -1.070 1.00 0.00 C ATOM 1168 CG ASP A 73 8.243 19.893 -1.463 1.00 0.00 C ATOM 1169 OD1 ASP A 73 9.005 19.023 -1.041 1.00 0.00 O ATOM 1170 OD2 ASP A 73 8.619 20.815 -2.183 1.00 0.00 O ATOM 0 H ASP A 73 7.514 17.514 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 73 4.962 18.679 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.315 20.818 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.670 19.508 -0.029 1.00 0.00 H new ATOM 1175 N ASN A 74 6.710 19.198 -4.225 1.00 0.00 N ATOM 1176 CA ASN A 74 6.666 19.770 -5.567 1.00 0.00 C ATOM 1177 C ASN A 74 6.889 18.720 -6.675 1.00 0.00 C ATOM 1178 O ASN A 74 6.903 19.049 -7.855 1.00 0.00 O ATOM 1179 CB ASN A 74 7.715 20.895 -5.650 1.00 0.00 C ATOM 1180 CG ASN A 74 9.150 20.417 -5.352 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.463 19.234 -5.352 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.997 21.424 -5.098 1.00 0.00 N ATOM 0 H ASN A 74 7.503 18.584 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 74 5.667 20.170 -5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.686 21.336 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.449 21.683 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.975 21.227 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.663 22.388 -5.116 1.00 0.00 H new ATOM 1189 N GLY A 75 7.057 17.455 -6.226 1.00 0.00 N ATOM 1190 CA GLY A 75 7.319 16.359 -7.167 1.00 0.00 C ATOM 1191 C GLY A 75 6.252 15.272 -7.239 1.00 0.00 C ATOM 1192 O GLY A 75 6.392 14.300 -7.967 1.00 0.00 O ATOM 0 H GLY A 75 7.016 17.179 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.445 16.784 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.267 15.893 -6.897 1.00 0.00 H new ATOM 1196 N GLY A 76 5.189 15.486 -6.456 1.00 0.00 N ATOM 1197 CA GLY A 76 4.080 14.543 -6.436 1.00 0.00 C ATOM 1198 C GLY A 76 4.402 13.205 -5.773 1.00 0.00 C ATOM 1199 O GLY A 76 4.148 13.025 -4.592 1.00 0.00 O ATOM 0 H GLY A 76 5.079 16.291 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.239 15.000 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.757 14.359 -7.461 1.00 0.00 H new ATOM 1203 N TYR A 77 4.957 12.281 -6.606 1.00 0.00 N ATOM 1204 CA TYR A 77 5.312 10.945 -6.141 1.00 0.00 C ATOM 1205 C TYR A 77 6.473 10.413 -6.953 1.00 0.00 C ATOM 1206 O TYR A 77 6.557 10.605 -8.158 1.00 0.00 O ATOM 1207 CB TYR A 77 4.170 9.917 -6.331 1.00 0.00 C ATOM 1208 CG TYR A 77 2.940 10.294 -5.572 1.00 0.00 C ATOM 1209 CD1 TYR A 77 2.056 11.226 -6.093 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.678 9.723 -4.342 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.924 11.620 -5.394 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.553 10.101 -3.630 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.683 11.076 -4.128 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.400 11.489 -3.364 1.00 0.00 O ATOM 0 H TYR A 77 5.160 12.452 -7.591 1.00 0.00 H new ATOM 0 HA TYR A 77 5.544 11.053 -5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.930 9.835 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.510 8.934 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.253 11.655 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.351 8.982 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.238 12.337 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.344 9.637 -2.677 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.407 11.000 -2.515 1.00 0.00 H new ATOM 1224 N TYR A 78 7.347 9.709 -6.199 1.00 0.00 N ATOM 1225 CA TYR A 78 8.496 9.083 -6.868 1.00 0.00 C ATOM 1226 C TYR A 78 8.833 7.721 -6.248 1.00 0.00 C ATOM 1227 O TYR A 78 8.741 7.526 -5.043 1.00 0.00 O ATOM 1228 CB TYR A 78 9.741 9.996 -6.946 1.00 0.00 C ATOM 1229 CG TYR A 78 10.686 10.029 -5.759 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.611 9.011 -5.557 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.705 11.102 -4.878 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.537 9.050 -4.528 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.635 11.167 -3.844 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.573 10.148 -3.662 1.00 0.00 C ATOM 1235 OH TYR A 78 13.512 10.223 -2.635 1.00 0.00 O ATOM 0 H TYR A 78 7.284 9.568 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 78 8.186 8.919 -7.900 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.318 9.697 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.396 11.014 -7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.607 8.162 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.986 11.899 -4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.231 8.233 -4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.631 12.015 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 78 13.386 11.058 -2.137 1.00 0.00 H new ATOM 1245 N ILE A 79 9.231 6.810 -7.167 1.00 0.00 N ATOM 1246 CA ILE A 79 9.675 5.447 -6.800 1.00 0.00 C ATOM 1247 C ILE A 79 11.179 5.321 -7.112 1.00 0.00 C ATOM 1248 O ILE A 79 11.905 4.546 -6.501 1.00 0.00 O ATOM 1249 CB ILE A 79 8.810 4.292 -7.353 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.165 4.677 -8.683 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.805 3.780 -6.314 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.220 3.605 -9.233 1.00 0.00 C ATOM 0 H ILE A 79 9.253 6.996 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 79 9.521 5.325 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 79 9.467 3.448 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.612 5.607 -8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.948 4.871 -9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.218 2.969 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.341 3.415 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.140 4.592 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.797 3.943 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.773 2.680 -9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.416 3.428 -8.519 1.00 0.00 H new ATOM 1264 N SER A 80 11.577 6.154 -8.093 1.00 0.00 N ATOM 1265 CA SER A 80 12.942 6.313 -8.556 1.00 0.00 C ATOM 1266 C SER A 80 13.029 7.850 -8.561 1.00 0.00 C ATOM 1267 O SER A 80 12.131 8.490 -9.091 1.00 0.00 O ATOM 1268 CB SER A 80 13.021 5.674 -9.979 1.00 0.00 C ATOM 1269 OG SER A 80 14.294 5.554 -10.732 1.00 0.00 O ATOM 0 H SER A 80 10.920 6.751 -8.595 1.00 0.00 H new ATOM 0 HA SER A 80 13.746 5.851 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.615 4.666 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.337 6.239 -10.612 1.00 0.00 H new ATOM 0 HG SER A 80 14.124 5.125 -11.597 1.00 0.00 H new ATOM 1275 N PRO A 81 14.088 8.471 -7.971 1.00 0.00 N ATOM 1276 CA PRO A 81 14.104 9.930 -7.879 1.00 0.00 C ATOM 1277 C PRO A 81 14.145 10.708 -9.195 1.00 0.00 C ATOM 1278 O PRO A 81 13.821 11.887 -9.229 1.00 0.00 O ATOM 1279 CB PRO A 81 15.278 10.242 -6.949 1.00 0.00 C ATOM 1280 CG PRO A 81 15.751 8.896 -6.392 1.00 0.00 C ATOM 1281 CD PRO A 81 15.275 7.854 -7.391 1.00 0.00 C ATOM 0 HA PRO A 81 13.146 10.279 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.081 10.743 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.970 10.910 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.836 8.874 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.332 8.712 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.032 7.645 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.041 6.907 -6.905 1.00 0.00 H new ATOM 1289 N ARG A 82 14.521 9.993 -10.273 1.00 0.00 N ATOM 1290 CA ARG A 82 14.529 10.634 -11.588 1.00 0.00 C ATOM 1291 C ARG A 82 13.092 10.621 -12.139 1.00 0.00 C ATOM 1292 O ARG A 82 12.577 11.646 -12.568 1.00 0.00 O ATOM 1293 CB ARG A 82 15.558 10.016 -12.551 1.00 0.00 C ATOM 1294 CG ARG A 82 15.705 8.494 -12.457 1.00 0.00 C ATOM 1295 CD ARG A 82 16.817 8.084 -11.479 1.00 0.00 C ATOM 1296 NE ARG A 82 16.898 6.632 -11.414 1.00 0.00 N ATOM 1297 CZ ARG A 82 17.917 5.976 -10.820 1.00 0.00 C ATOM 1298 NH1 ARG A 82 18.912 6.633 -10.236 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.923 4.651 -10.823 1.00 0.00 N ATOM 0 H ARG A 82 14.810 9.015 -10.258 1.00 0.00 H new ATOM 0 HA ARG A 82 14.859 11.668 -11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.279 10.276 -13.572 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.530 10.472 -12.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.760 8.057 -12.135 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.923 8.089 -13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.772 8.498 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.613 8.492 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 82 16.149 6.084 -11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.916 7.653 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.673 6.118 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.163 4.139 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.687 4.143 -10.378 1.00 0.00 H new ATOM 1313 N ILE A 83 12.470 9.414 -12.082 1.00 0.00 N ATOM 1314 CA ILE A 83 11.085 9.305 -12.536 1.00 0.00 C ATOM 1315 C ILE A 83 10.109 9.503 -11.353 1.00 0.00 C ATOM 1316 O ILE A 83 9.823 8.651 -10.510 1.00 0.00 O ATOM 1317 CB ILE A 83 10.787 8.151 -13.469 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.057 6.785 -12.861 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.493 8.326 -14.822 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.446 5.754 -13.799 1.00 0.00 C ATOM 0 H ILE A 83 12.892 8.550 -11.742 1.00 0.00 H new ATOM 0 HA ILE A 83 10.907 10.136 -13.218 1.00 0.00 H new ATOM 0 HB ILE A 83 9.712 8.180 -13.644 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.128 6.618 -12.748 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.617 6.711 -11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.257 7.480 -15.467 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.153 9.248 -15.293 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.571 8.375 -14.666 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.616 4.754 -13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.374 5.932 -13.887 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.909 5.837 -14.782 1.00 0.00 H new ATOM 1332 N THR A 84 9.666 10.769 -11.430 1.00 0.00 N ATOM 1333 CA THR A 84 8.761 11.449 -10.534 1.00 0.00 C ATOM 1334 C THR A 84 7.594 11.946 -11.411 1.00 0.00 C ATOM 1335 O THR A 84 7.763 12.229 -12.591 1.00 0.00 O ATOM 1336 CB THR A 84 9.570 12.672 -9.997 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.037 12.603 -9.871 1.00 0.00 O ATOM 1338 CG2 THR A 84 9.005 13.110 -8.628 1.00 0.00 C ATOM 0 H THR A 84 9.966 11.380 -12.190 1.00 0.00 H new ATOM 0 HA THR A 84 8.385 10.835 -9.716 1.00 0.00 H new ATOM 0 HB THR A 84 9.425 13.381 -10.812 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.376 13.454 -9.522 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.572 13.964 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.958 13.391 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.086 12.285 -7.920 1.00 0.00 H new ATOM 1346 N PHE A 85 6.431 12.044 -10.753 1.00 0.00 N ATOM 1347 CA PHE A 85 5.190 12.458 -11.434 1.00 0.00 C ATOM 1348 C PHE A 85 4.316 13.219 -10.421 1.00 0.00 C ATOM 1349 O PHE A 85 4.338 12.899 -9.244 1.00 0.00 O ATOM 1350 CB PHE A 85 4.481 11.218 -12.022 1.00 0.00 C ATOM 1351 CG PHE A 85 5.249 10.664 -13.199 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.096 11.209 -14.473 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.164 9.632 -13.021 1.00 0.00 C ATOM 1354 CE1 PHE A 85 5.864 10.752 -15.541 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.931 9.180 -14.086 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.793 9.737 -15.343 1.00 0.00 C ATOM 0 H PHE A 85 6.320 11.845 -9.759 1.00 0.00 H new ATOM 0 HA PHE A 85 5.400 13.125 -12.271 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.384 10.451 -11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.472 11.486 -12.335 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.373 11.995 -14.634 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.279 9.179 -12.047 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.738 11.186 -16.522 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.644 8.384 -13.930 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.401 9.387 -16.164 1.00 0.00 H new ATOM 1366 N PRO A 86 3.515 14.220 -10.900 1.00 0.00 N ATOM 1367 CA PRO A 86 2.682 15.054 -10.016 1.00 0.00 C ATOM 1368 C PRO A 86 1.569 14.303 -9.255 1.00 0.00 C ATOM 1369 O PRO A 86 0.926 14.856 -8.371 1.00 0.00 O ATOM 1370 CB PRO A 86 2.081 16.104 -10.967 1.00 0.00 C ATOM 1371 CG PRO A 86 2.125 15.454 -12.351 1.00 0.00 C ATOM 1372 CD PRO A 86 3.355 14.549 -12.318 1.00 0.00 C ATOM 0 HA PRO A 86 3.289 15.466 -9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.060 16.357 -10.682 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.656 17.030 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.218 14.882 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.207 16.204 -13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.208 13.653 -12.921 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.235 15.057 -12.712 1.00 0.00 H new ATOM 1380 N THR A 87 1.385 13.027 -9.636 1.00 0.00 N ATOM 1381 CA THR A 87 0.387 12.177 -9.006 1.00 0.00 C ATOM 1382 C THR A 87 0.658 10.756 -9.454 1.00 0.00 C ATOM 1383 O THR A 87 1.322 10.521 -10.459 1.00 0.00 O ATOM 1384 CB THR A 87 -1.084 12.506 -9.370 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.092 11.519 -8.992 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.202 13.042 -10.815 1.00 0.00 C ATOM 0 H THR A 87 1.918 12.572 -10.377 1.00 0.00 H new ATOM 0 HA THR A 87 0.480 12.335 -7.932 1.00 0.00 H new ATOM 0 HB THR A 87 -1.359 13.323 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.824 11.964 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.246 13.262 -11.037 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.610 13.952 -10.915 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.833 12.290 -11.513 1.00 0.00 H new ATOM 1394 N LEU A 88 0.076 9.815 -8.668 1.00 0.00 N ATOM 1395 CA LEU A 88 0.236 8.421 -9.038 1.00 0.00 C ATOM 1396 C LEU A 88 -0.337 8.209 -10.440 1.00 0.00 C ATOM 1397 O LEU A 88 0.245 7.475 -11.209 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.564 7.416 -8.175 1.00 0.00 C ATOM 1399 CG LEU A 88 0.057 6.932 -6.880 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.385 6.255 -7.086 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.283 7.969 -5.844 1.00 0.00 C ATOM 0 H LEU A 88 -0.473 9.996 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 88 1.305 8.237 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.523 7.874 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.774 6.542 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.705 6.239 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.781 5.930 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.255 5.390 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.082 6.954 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.730 7.511 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.954 8.734 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.669 8.425 -5.572 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.462 8.881 -10.774 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.052 8.561 -12.080 1.00 0.00 C ATOM 1415 C GLN A 89 -1.150 8.885 -13.281 1.00 0.00 C ATOM 1416 O GLN A 89 -1.179 8.188 -14.282 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.509 9.007 -12.162 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.755 10.412 -12.673 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.787 11.163 -11.836 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -5.885 11.482 -12.270 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -4.341 11.411 -10.602 1.00 0.00 N ATOM 0 H GLN A 89 -1.940 9.585 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.103 7.475 -12.161 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.044 8.310 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.949 8.923 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.816 10.966 -12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.095 10.365 -13.708 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.407 11.106 -10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.934 11.905 -9.935 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.325 9.936 -13.106 1.00 0.00 N ATOM 1431 CA ALA A 90 0.626 10.334 -14.152 1.00 0.00 C ATOM 1432 C ALA A 90 1.842 9.361 -14.213 1.00 0.00 C ATOM 1433 O ALA A 90 2.639 9.369 -15.143 1.00 0.00 O ATOM 1434 CB ALA A 90 1.096 11.770 -13.870 1.00 0.00 C ATOM 0 H ALA A 90 -0.300 10.513 -12.265 1.00 0.00 H new ATOM 0 HA ALA A 90 0.130 10.290 -15.121 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.803 12.079 -14.640 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.237 12.442 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.581 11.809 -12.895 1.00 0.00 H new ATOM 1440 N LEU A 91 1.916 8.539 -13.154 1.00 0.00 N ATOM 1441 CA LEU A 91 2.897 7.486 -12.918 1.00 0.00 C ATOM 1442 C LEU A 91 2.341 6.138 -13.454 1.00 0.00 C ATOM 1443 O LEU A 91 3.077 5.333 -14.012 1.00 0.00 O ATOM 1444 CB LEU A 91 3.262 7.588 -11.413 1.00 0.00 C ATOM 1445 CG LEU A 91 3.669 6.324 -10.642 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.420 6.674 -9.344 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.436 5.510 -10.262 1.00 0.00 C ATOM 0 H LEU A 91 1.242 8.603 -12.391 1.00 0.00 H new ATOM 0 HA LEU A 91 3.836 7.580 -13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.081 8.302 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.404 8.021 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 91 4.321 5.748 -11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.693 5.756 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.322 7.236 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.777 7.277 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.743 4.618 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.782 6.113 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.901 5.217 -11.165 1.00 0.00 H new ATOM 1459 N VAL A 92 1.005 5.962 -13.297 1.00 0.00 N ATOM 1460 CA VAL A 92 0.280 4.778 -13.733 1.00 0.00 C ATOM 1461 C VAL A 92 -0.087 4.887 -15.247 1.00 0.00 C ATOM 1462 O VAL A 92 -0.597 3.947 -15.841 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.994 4.587 -12.850 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.420 3.141 -12.770 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.876 4.978 -11.371 1.00 0.00 C ATOM 0 H VAL A 92 0.406 6.660 -12.855 1.00 0.00 H new ATOM 0 HA VAL A 92 0.916 3.901 -13.613 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.690 5.249 -13.365 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.310 3.058 -12.146 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.643 2.772 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.615 2.548 -12.336 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.827 4.798 -10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.097 4.380 -10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.620 6.035 -11.293 1.00 0.00 H new ATOM 1475 N GLN A 93 0.212 6.082 -15.825 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.060 6.395 -17.228 1.00 0.00 C ATOM 1477 C GLN A 93 1.180 5.986 -18.043 1.00 0.00 C ATOM 1478 O GLN A 93 1.114 5.266 -19.034 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.442 7.889 -17.443 1.00 0.00 C ATOM 1480 CG GLN A 93 0.707 8.872 -17.731 1.00 0.00 C ATOM 1481 CD GLN A 93 0.245 10.334 -17.730 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.925 10.652 -17.891 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.250 11.196 -17.525 1.00 0.00 N ATOM 0 H GLN A 93 0.650 6.849 -15.316 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.931 5.835 -17.568 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.148 7.942 -18.272 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.968 8.235 -16.553 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.489 8.741 -16.983 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.149 8.635 -18.699 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.201 10.850 -17.399 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.064 12.198 -17.495 1.00 0.00 H new ATOM 1492 N HIS A 94 2.325 6.480 -17.513 1.00 0.00 N ATOM 1493 CA HIS A 94 3.629 6.243 -18.107 1.00 0.00 C ATOM 1494 C HIS A 94 3.921 4.743 -18.132 1.00 0.00 C ATOM 1495 O HIS A 94 4.328 4.193 -19.146 1.00 0.00 O ATOM 1496 CB HIS A 94 4.699 6.999 -17.296 1.00 0.00 C ATOM 1497 CG HIS A 94 6.081 6.833 -17.899 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.214 6.816 -17.167 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.434 6.687 -19.253 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.221 6.669 -18.043 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.780 6.586 -19.312 1.00 0.00 N ATOM 0 H HIS A 94 2.353 7.049 -16.667 1.00 0.00 H new ATOM 0 HA HIS A 94 3.643 6.609 -19.134 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.444 8.058 -17.256 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.704 6.633 -16.269 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.754 6.661 -20.091 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.263 6.623 -17.762 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.349 6.470 -20.151 1.00 0.00 H new ATOM 1509 N TYR A 95 3.640 4.129 -16.964 1.00 0.00 N ATOM 1510 CA TYR A 95 3.884 2.700 -16.823 1.00 0.00 C ATOM 1511 C TYR A 95 2.909 1.855 -17.655 1.00 0.00 C ATOM 1512 O TYR A 95 3.227 0.718 -17.977 1.00 0.00 O ATOM 1513 CB TYR A 95 3.951 2.295 -15.346 1.00 0.00 C ATOM 1514 CG TYR A 95 4.974 3.049 -14.530 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.988 3.824 -15.091 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.898 2.976 -13.149 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.884 4.525 -14.297 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.778 3.674 -12.345 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.783 4.466 -12.906 1.00 0.00 C ATOM 1520 OH TYR A 95 7.673 5.159 -12.095 1.00 0.00 O ATOM 0 H TYR A 95 3.258 4.590 -16.138 1.00 0.00 H new ATOM 0 HA TYR A 95 4.866 2.484 -17.243 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.968 2.443 -14.898 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.172 1.229 -15.285 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.078 3.880 -16.166 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.136 2.362 -12.692 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.661 5.118 -14.756 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.688 3.607 -11.271 1.00 0.00 H new ATOM 0 HH TYR A 95 7.174 5.678 -11.430 1.00 0.00 H new ATOM 1530 N SER A 96 1.730 2.435 -18.016 1.00 0.00 N ATOM 1531 CA SER A 96 0.821 1.639 -18.863 1.00 0.00 C ATOM 1532 C SER A 96 1.503 1.243 -20.195 1.00 0.00 C ATOM 1533 O SER A 96 1.240 0.180 -20.741 1.00 0.00 O ATOM 1534 CB SER A 96 -0.514 2.389 -19.179 1.00 0.00 C ATOM 1535 OG SER A 96 -1.501 2.750 -18.132 1.00 0.00 O ATOM 0 H SER A 96 1.412 3.369 -17.757 1.00 0.00 H new ATOM 0 HA SER A 96 0.583 0.743 -18.290 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.237 3.318 -19.678 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.046 1.781 -19.910 1.00 0.00 H new ATOM 0 HG SER A 96 -1.029 3.047 -17.326 1.00 0.00 H new ATOM 1541 N LYS A 97 2.390 2.148 -20.665 1.00 0.00 N ATOM 1542 CA LYS A 97 3.121 1.880 -21.909 1.00 0.00 C ATOM 1543 C LYS A 97 4.535 1.318 -21.637 1.00 0.00 C ATOM 1544 O LYS A 97 4.897 0.230 -22.072 1.00 0.00 O ATOM 1545 CB LYS A 97 3.208 3.171 -22.746 1.00 0.00 C ATOM 1546 CG LYS A 97 1.954 3.425 -23.603 1.00 0.00 C ATOM 1547 CD LYS A 97 0.668 3.682 -22.804 1.00 0.00 C ATOM 1548 CE LYS A 97 0.671 5.010 -22.043 1.00 0.00 C ATOM 1549 NZ LYS A 97 0.617 6.148 -22.951 1.00 0.00 N ATOM 0 H LYS A 97 2.608 3.038 -20.216 1.00 0.00 H new ATOM 0 HA LYS A 97 2.573 1.119 -22.465 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.362 4.019 -22.079 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.080 3.116 -23.397 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.141 4.283 -24.249 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.795 2.565 -24.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.182 3.666 -23.486 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.523 2.867 -22.095 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.182 5.044 -21.365 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.569 5.076 -21.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.467 7.021 -22.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.513 6.217 -23.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.167 6.020 -23.622 1.00 0.00 H new ATOM 1563 N LYS A 98 5.288 2.138 -20.885 1.00 0.00 N ATOM 1564 CA LYS A 98 6.676 1.854 -20.543 1.00 0.00 C ATOM 1565 C LYS A 98 6.892 2.033 -19.024 1.00 0.00 C ATOM 1566 O LYS A 98 6.848 3.138 -18.497 1.00 0.00 O ATOM 1567 CB LYS A 98 7.505 2.872 -21.346 1.00 0.00 C ATOM 1568 CG LYS A 98 8.883 2.348 -21.729 1.00 0.00 C ATOM 1569 CD LYS A 98 9.730 1.914 -20.550 1.00 0.00 C ATOM 1570 CE LYS A 98 11.116 1.457 -20.972 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.991 2.575 -21.318 1.00 0.00 N ATOM 0 H LYS A 98 4.942 3.017 -20.500 1.00 0.00 H new ATOM 0 HA LYS A 98 6.964 0.830 -20.782 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.961 3.142 -22.251 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.619 3.783 -20.759 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.763 1.503 -22.407 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.415 3.124 -22.279 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.821 2.742 -19.847 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.227 1.103 -20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.568 0.883 -20.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.030 0.788 -21.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.955 2.223 -21.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.638 3.038 -22.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.003 3.261 -20.537 1.00 0.00 H new ATOM 1585 N GLY A 99 7.168 0.876 -18.372 1.00 0.00 N ATOM 1586 CA GLY A 99 7.424 0.806 -16.927 1.00 0.00 C ATOM 1587 C GLY A 99 8.570 1.712 -16.467 1.00 0.00 C ATOM 1588 O GLY A 99 8.584 2.236 -15.361 1.00 0.00 O ATOM 0 H GLY A 99 7.217 -0.029 -18.840 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.516 1.081 -16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.654 -0.224 -16.656 1.00 0.00 H new ATOM 1592 N ASP A 100 9.539 1.804 -17.401 1.00 0.00 N ATOM 1593 CA ASP A 100 10.752 2.615 -17.279 1.00 0.00 C ATOM 1594 C ASP A 100 11.518 2.412 -15.949 1.00 0.00 C ATOM 1595 O ASP A 100 12.184 3.310 -15.453 1.00 0.00 O ATOM 1596 CB ASP A 100 10.370 4.092 -17.505 1.00 0.00 C ATOM 1597 CG ASP A 100 11.547 4.913 -18.055 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.029 4.586 -19.141 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.966 5.868 -17.402 1.00 0.00 O ATOM 0 H ASP A 100 9.490 1.298 -18.285 1.00 0.00 H new ATOM 0 HA ASP A 100 11.457 2.284 -18.042 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.533 4.148 -18.201 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.032 4.527 -16.564 1.00 0.00 H new ATOM 1604 N GLY A 101 11.391 1.186 -15.410 1.00 0.00 N ATOM 1605 CA GLY A 101 12.058 0.875 -14.150 1.00 0.00 C ATOM 1606 C GLY A 101 11.382 -0.301 -13.450 1.00 0.00 C ATOM 1607 O GLY A 101 12.020 -1.131 -12.814 1.00 0.00 O ATOM 0 H GLY A 101 10.850 0.423 -15.817 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.105 0.638 -14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.040 1.749 -13.499 1.00 0.00 H new ATOM 1611 N LEU A 102 10.044 -0.322 -13.625 1.00 0.00 N ATOM 1612 CA LEU A 102 9.230 -1.374 -13.047 1.00 0.00 C ATOM 1613 C LEU A 102 9.418 -2.665 -13.860 1.00 0.00 C ATOM 1614 O LEU A 102 9.273 -2.699 -15.076 1.00 0.00 O ATOM 1615 CB LEU A 102 7.753 -0.953 -13.036 1.00 0.00 C ATOM 1616 CG LEU A 102 7.432 0.345 -12.261 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.012 0.273 -11.708 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.387 0.649 -11.099 1.00 0.00 C ATOM 0 H LEU A 102 9.524 0.375 -14.158 1.00 0.00 H new ATOM 0 HA LEU A 102 9.541 -1.553 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.422 -0.830 -14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.166 -1.765 -12.607 1.00 0.00 H new ATOM 0 HG LEU A 102 7.550 1.151 -12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.787 1.189 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.306 0.159 -12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.926 -0.581 -11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.085 1.577 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.352 -0.166 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.403 0.753 -11.480 1.00 0.00 H new ATOM 1630 N CYS A 103 9.757 -3.703 -13.068 1.00 0.00 N ATOM 1631 CA CYS A 103 10.030 -5.076 -13.501 1.00 0.00 C ATOM 1632 C CYS A 103 9.179 -5.516 -14.709 1.00 0.00 C ATOM 1633 O CYS A 103 9.679 -6.043 -15.694 1.00 0.00 O ATOM 1634 CB CYS A 103 9.814 -6.032 -12.319 1.00 0.00 C ATOM 1635 SG CYS A 103 8.174 -5.897 -11.562 1.00 0.00 S ATOM 0 H CYS A 103 9.851 -3.593 -12.058 1.00 0.00 H new ATOM 0 HA CYS A 103 11.067 -5.110 -13.834 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.964 -7.056 -12.660 1.00 0.00 H new ATOM 0 HB3 CYS A 103 10.572 -5.835 -11.561 1.00 0.00 H new ATOM 0 HG CYS A 103 8.157 -4.890 -10.740 1.00 0.00 H new ATOM 1641 N GLN A 104 7.870 -5.249 -14.553 1.00 0.00 N ATOM 1642 CA GLN A 104 6.873 -5.563 -15.559 1.00 0.00 C ATOM 1643 C GLN A 104 5.779 -4.525 -15.365 1.00 0.00 C ATOM 1644 O GLN A 104 4.959 -4.587 -14.457 1.00 0.00 O ATOM 1645 CB GLN A 104 6.315 -6.989 -15.390 1.00 0.00 C ATOM 1646 CG GLN A 104 7.366 -8.090 -15.609 1.00 0.00 C ATOM 1647 CD GLN A 104 6.715 -9.480 -15.618 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.476 -10.086 -14.584 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.432 -9.940 -16.848 1.00 0.00 N ATOM 0 H GLN A 104 7.486 -4.807 -13.718 1.00 0.00 H new ATOM 0 HA GLN A 104 7.298 -5.534 -16.562 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.897 -7.091 -14.388 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.495 -7.135 -16.093 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.883 -7.921 -16.553 1.00 0.00 H new ATOM 0 HG3 GLN A 104 8.118 -8.042 -14.821 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.661 -9.378 -17.668 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.988 -10.851 -16.962 1.00 0.00 H new ATOM 1658 N LYS A 105 5.860 -3.566 -16.305 1.00 0.00 N ATOM 1659 CA LYS A 105 4.967 -2.433 -16.379 1.00 0.00 C ATOM 1660 C LYS A 105 3.508 -2.895 -16.423 1.00 0.00 C ATOM 1661 O LYS A 105 3.183 -4.072 -16.513 1.00 0.00 O ATOM 1662 CB LYS A 105 5.384 -1.537 -17.537 1.00 0.00 C ATOM 1663 CG LYS A 105 4.759 -1.816 -18.891 1.00 0.00 C ATOM 1664 CD LYS A 105 5.296 -3.104 -19.496 1.00 0.00 C ATOM 1665 CE LYS A 105 5.312 -2.967 -20.999 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.798 -4.179 -21.643 1.00 0.00 N ATOM 0 H LYS A 105 6.567 -3.572 -17.041 1.00 0.00 H new ATOM 0 HA LYS A 105 5.041 -1.825 -15.477 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.155 -0.506 -17.266 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.467 -1.606 -17.644 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.676 -1.885 -18.786 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.961 -0.984 -19.565 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.301 -3.305 -19.125 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.673 -3.948 -19.201 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.306 -2.743 -21.355 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.945 -2.126 -21.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.795 -4.049 -22.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.767 -4.378 -21.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.179 -4.977 -21.393 1.00 0.00 H new ATOM 1680 N LEU A 106 2.663 -1.865 -16.391 1.00 0.00 N ATOM 1681 CA LEU A 106 1.231 -2.114 -16.299 1.00 0.00 C ATOM 1682 C LEU A 106 0.627 -2.710 -17.566 1.00 0.00 C ATOM 1683 O LEU A 106 1.125 -2.570 -18.675 1.00 0.00 O ATOM 1684 CB LEU A 106 0.464 -0.853 -15.854 1.00 0.00 C ATOM 1685 CG LEU A 106 1.303 0.056 -14.951 1.00 0.00 C ATOM 1686 CD1 LEU A 106 0.540 1.222 -14.336 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.910 -0.717 -13.812 1.00 0.00 C ATOM 0 H LEU A 106 2.935 -0.883 -16.426 1.00 0.00 H new ATOM 0 HA LEU A 106 1.117 -2.876 -15.528 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.149 -0.294 -16.735 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.441 -1.150 -15.324 1.00 0.00 H new ATOM 0 HG LEU A 106 2.062 0.458 -15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.214 1.810 -13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.137 1.852 -15.129 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.278 0.840 -13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.500 -0.044 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.117 -1.165 -13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.554 -1.503 -14.208 1.00 0.00 H new ATOM 1699 N THR A 107 -0.487 -3.404 -17.279 1.00 0.00 N ATOM 1700 CA THR A 107 -1.262 -4.058 -18.318 1.00 0.00 C ATOM 1701 C THR A 107 -2.730 -3.781 -18.074 1.00 0.00 C ATOM 1702 O THR A 107 -3.375 -3.050 -18.815 1.00 0.00 O ATOM 1703 CB THR A 107 -0.978 -5.588 -18.372 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.526 -6.512 -17.367 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.543 -5.796 -18.567 1.00 0.00 C ATOM 0 H THR A 107 -0.860 -3.520 -16.337 1.00 0.00 H new ATOM 0 HA THR A 107 -0.970 -3.656 -19.288 1.00 0.00 H new ATOM 0 HB THR A 107 -1.590 -5.903 -19.218 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.791 -6.975 -16.913 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.762 -6.863 -18.607 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.858 -5.325 -19.498 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.082 -5.346 -17.733 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.195 -4.404 -16.970 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.596 -4.243 -16.609 1.00 0.00 C ATOM 1715 C LEU A 108 -4.731 -4.290 -15.080 1.00 0.00 C ATOM 1716 O LEU A 108 -4.403 -5.301 -14.484 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.438 -5.405 -17.153 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.229 -5.753 -18.634 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.664 -7.189 -18.927 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -5.960 -4.749 -19.528 1.00 0.00 C ATOM 0 H LEU A 108 -2.642 -4.993 -16.347 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.940 -3.295 -17.024 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.223 -6.293 -16.558 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.491 -5.167 -17.001 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.164 -5.686 -18.857 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.505 -7.409 -19.983 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.076 -7.878 -18.320 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.721 -7.305 -18.687 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.801 -5.010 -20.574 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.027 -4.773 -19.306 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.573 -3.747 -19.342 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.229 -3.195 -14.447 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.445 -3.145 -13.000 1.00 0.00 C ATOM 1734 C PRO A 109 -6.243 -4.362 -12.507 1.00 0.00 C ATOM 1735 O PRO A 109 -7.122 -4.858 -13.201 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.219 -1.842 -12.768 1.00 0.00 C ATOM 1737 CG PRO A 109 -5.869 -0.975 -13.979 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.618 -1.970 -15.122 1.00 0.00 C ATOM 0 HA PRO A 109 -4.506 -3.170 -12.447 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.292 -2.022 -12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.921 -1.363 -11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -6.682 -0.291 -14.223 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.986 -0.365 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.513 -2.115 -15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.834 -1.618 -15.792 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.855 -4.828 -11.303 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.510 -5.997 -10.717 1.00 0.00 C ATOM 1748 C CYS A 110 -8.062 -5.907 -10.737 1.00 0.00 C ATOM 1749 O CYS A 110 -8.653 -4.844 -10.589 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.945 -6.222 -9.309 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.709 -7.566 -8.369 1.00 0.00 S ATOM 0 H CYS A 110 -5.111 -4.421 -10.736 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.287 -6.867 -11.335 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.877 -6.422 -9.393 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.053 -5.298 -8.741 1.00 0.00 H new ATOM 0 HG CYS A 110 -8.001 -7.506 -8.498 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.666 -7.091 -10.963 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.121 -7.173 -11.007 1.00 0.00 C ATOM 1759 C VAL A 111 -10.642 -7.216 -9.565 1.00 0.00 C ATOM 1760 O VAL A 111 -9.918 -7.518 -8.623 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.588 -8.390 -11.829 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.140 -8.281 -13.293 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.135 -9.725 -11.219 1.00 0.00 C ATOM 0 H VAL A 111 -8.177 -7.974 -11.113 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.530 -6.297 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.678 -8.380 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.485 -9.155 -13.845 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.564 -7.380 -13.737 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.052 -8.230 -13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.492 -10.548 -11.839 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.046 -9.752 -11.171 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.545 -9.824 -10.214 1.00 0.00 H new