USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc= -3.31! C(o=-3.3!,f=-7.7!) USER MOD Single : A 13 CYS SG : rot -100:sc= -3.85! USER MOD Single : A 14 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.23) USER MOD Single : A 16 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.97) USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.79 USER MOD Single : A 20 TYR OH : rot 16:sc= -0.518 USER MOD Single : A 24 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 26 SER OG : rot -54:sc= 1.19 USER MOD Single : A 29 SER OG : rot -2:sc= -0.192 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 60:sc= 0.65 USER MOD Single : A 39 CYS SG : rot 77:sc= 0.193 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00786 X(o=-0.0079,f=-0.41) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -2.06! C(o=-3.8!,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0269 K(o=-0.027,f=-0.99) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 71:sc= 0.603 USER MOD Single : A 101 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.54) USER MOD Single : A 103 HIS : no HD1:sc= -0.81 X(o=-0.81,f=-0.47) USER MOD Single : A 104 SER OG : rot -48:sc= 1.1 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.020 -0.587 -2.108 1.00 0.00 N ATOM 202 CA GLN A 6 -0.558 0.751 -2.087 1.00 0.00 C ATOM 203 C GLN A 6 -1.150 1.110 -3.446 1.00 0.00 C ATOM 204 O GLN A 6 -2.142 1.836 -3.531 1.00 0.00 O ATOM 205 CB GLN A 6 0.504 1.780 -1.691 1.00 0.00 C ATOM 206 CG GLN A 6 -0.003 2.835 -0.721 1.00 0.00 C ATOM 207 CD GLN A 6 1.092 3.370 0.181 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.986 3.314 1.406 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.152 3.895 -0.422 1.00 0.00 N ATOM 0 HA GLN A 6 -1.360 0.763 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.350 1.261 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.874 2.273 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.441 3.660 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.798 2.409 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.198 3.921 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.920 4.272 0.133 1.00 0.00 H new ATOM 218 N GLU A 7 -0.533 0.604 -4.508 1.00 0.00 N ATOM 219 CA GLU A 7 -0.992 0.877 -5.865 1.00 0.00 C ATOM 220 C GLU A 7 -2.393 0.317 -6.100 1.00 0.00 C ATOM 221 O GLU A 7 -3.259 1.002 -6.645 1.00 0.00 O ATOM 222 CB GLU A 7 -0.018 0.279 -6.883 1.00 0.00 C ATOM 223 CG GLU A 7 1.270 1.069 -7.030 1.00 0.00 C ATOM 224 CD GLU A 7 1.102 2.306 -7.891 1.00 0.00 C ATOM 225 OE1 GLU A 7 0.007 2.905 -7.860 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.064 2.675 -8.595 1.00 0.00 O ATOM 0 H GLU A 7 0.288 0.001 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.030 1.959 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.224 -0.741 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.511 0.220 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.625 1.364 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.037 0.429 -7.467 1.00 0.00 H new ATOM 233 N GLU A 8 -2.607 -0.930 -5.694 1.00 0.00 N ATOM 234 CA GLU A 8 -3.903 -1.577 -5.869 1.00 0.00 C ATOM 235 C GLU A 8 -4.995 -0.847 -5.090 1.00 0.00 C ATOM 236 O GLU A 8 -6.154 -0.825 -5.504 1.00 0.00 O ATOM 237 CB GLU A 8 -3.837 -3.044 -5.436 1.00 0.00 C ATOM 238 CG GLU A 8 -3.578 -3.236 -3.950 1.00 0.00 C ATOM 239 CD GLU A 8 -4.281 -4.458 -3.392 1.00 0.00 C ATOM 240 OE1 GLU A 8 -4.120 -5.552 -3.971 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.993 -4.319 -2.375 1.00 0.00 O ATOM 0 H GLU A 8 -1.902 -1.512 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.154 -1.534 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.776 -3.533 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.050 -3.544 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.505 -3.329 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.911 -2.350 -3.409 1.00 0.00 H new ATOM 248 N LEU A 9 -4.621 -0.255 -3.961 1.00 0.00 N ATOM 249 CA LEU A 9 -5.575 0.471 -3.129 1.00 0.00 C ATOM 250 C LEU A 9 -6.086 1.716 -3.845 1.00 0.00 C ATOM 251 O LEU A 9 -7.291 1.962 -3.902 1.00 0.00 O ATOM 252 CB LEU A 9 -4.929 0.864 -1.799 1.00 0.00 C ATOM 253 CG LEU A 9 -4.424 -0.307 -0.953 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.455 0.184 0.111 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.591 -1.045 -0.314 1.00 0.00 C ATOM 0 H LEU A 9 -3.667 -0.263 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.422 -0.187 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.093 1.533 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.654 1.429 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.895 -1.001 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.106 -0.662 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.604 0.668 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.960 0.898 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.213 -1.875 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.148 -0.360 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.249 -1.429 -1.093 1.00 0.00 H new ATOM 267 N LEU A 10 -5.162 2.501 -4.388 1.00 0.00 N ATOM 268 CA LEU A 10 -5.517 3.724 -5.101 1.00 0.00 C ATOM 269 C LEU A 10 -6.346 3.413 -6.345 1.00 0.00 C ATOM 270 O LEU A 10 -7.285 4.137 -6.674 1.00 0.00 O ATOM 271 CB LEU A 10 -4.255 4.492 -5.496 1.00 0.00 C ATOM 272 CG LEU A 10 -4.503 5.821 -6.211 1.00 0.00 C ATOM 273 CD1 LEU A 10 -4.606 6.957 -5.203 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.395 6.099 -7.216 1.00 0.00 C ATOM 0 H LEU A 10 -4.160 2.313 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.118 4.341 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.669 4.684 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.649 3.857 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.448 5.752 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.782 7.895 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.433 6.763 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.677 7.027 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.587 7.048 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.438 6.149 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.366 5.299 -7.956 1.00 0.00 H new ATOM 286 N ARG A 11 -5.988 2.334 -7.031 1.00 0.00 N ATOM 287 CA ARG A 11 -6.694 1.926 -8.241 1.00 0.00 C ATOM 288 C ARG A 11 -8.165 1.648 -7.952 1.00 0.00 C ATOM 289 O ARG A 11 -9.042 2.019 -8.731 1.00 0.00 O ATOM 290 CB ARG A 11 -6.038 0.681 -8.844 1.00 0.00 C ATOM 291 CG ARG A 11 -4.747 0.976 -9.591 1.00 0.00 C ATOM 292 CD ARG A 11 -4.912 0.787 -11.091 1.00 0.00 C ATOM 293 NE ARG A 11 -3.758 1.288 -11.835 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.552 2.576 -12.103 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.418 3.493 -11.689 1.00 0.00 N ATOM 296 NH2 ARG A 11 -2.478 2.946 -12.784 1.00 0.00 N ATOM 0 H ARG A 11 -5.212 1.725 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.634 2.746 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.832 -0.033 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.742 0.204 -9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.433 1.999 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.957 0.320 -9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.053 -0.271 -11.310 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.811 1.304 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.071 0.612 -12.168 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.246 3.212 -11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.256 4.478 -11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.810 2.245 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.319 3.932 -12.990 1.00 0.00 H new ATOM 310 N TRP A 12 -8.430 0.991 -6.827 1.00 0.00 N ATOM 311 CA TRP A 12 -9.794 0.661 -6.436 1.00 0.00 C ATOM 312 C TRP A 12 -10.586 1.917 -6.088 1.00 0.00 C ATOM 313 O TRP A 12 -11.782 2.006 -6.372 1.00 0.00 O ATOM 314 CB TRP A 12 -9.783 -0.294 -5.240 1.00 0.00 C ATOM 315 CG TRP A 12 -11.147 -0.784 -4.858 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.836 -1.818 -5.428 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.989 -0.263 -3.823 1.00 0.00 C ATOM 318 NE1 TRP A 12 -13.053 -1.971 -4.809 1.00 0.00 N ATOM 319 CE2 TRP A 12 -13.170 -1.028 -3.821 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.858 0.777 -2.897 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -14.213 -0.786 -2.930 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.894 1.016 -2.013 1.00 0.00 C ATOM 323 CH2 TRP A 12 -14.058 0.238 -2.036 1.00 0.00 C ATOM 0 H TRP A 12 -7.716 0.677 -6.170 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.278 0.174 -7.283 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.150 -1.150 -5.474 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.334 0.211 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.476 -2.426 -6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.755 -2.672 -5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.964 1.382 -2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -15.112 -1.385 -2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.804 1.816 -1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.850 0.451 -1.333 1.00 0.00 H new ATOM 334 N CYS A 13 -9.916 2.883 -5.470 1.00 0.00 N ATOM 335 CA CYS A 13 -10.563 4.131 -5.078 1.00 0.00 C ATOM 336 C CYS A 13 -10.937 4.971 -6.296 1.00 0.00 C ATOM 337 O CYS A 13 -12.044 5.502 -6.378 1.00 0.00 O ATOM 338 CB CYS A 13 -9.646 4.934 -4.152 1.00 0.00 C ATOM 339 SG CYS A 13 -9.908 4.608 -2.394 1.00 0.00 S ATOM 0 H CYS A 13 -8.926 2.827 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.480 3.878 -4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.609 4.710 -4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.797 5.997 -4.340 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.634 5.556 -1.880 1.00 0.00 H new ATOM 345 N GLN A 14 -10.007 5.093 -7.240 1.00 0.00 N ATOM 346 CA GLN A 14 -10.248 5.877 -8.445 1.00 0.00 C ATOM 347 C GLN A 14 -11.315 5.225 -9.322 1.00 0.00 C ATOM 348 O GLN A 14 -12.107 5.912 -9.966 1.00 0.00 O ATOM 349 CB GLN A 14 -8.951 6.055 -9.239 1.00 0.00 C ATOM 350 CG GLN A 14 -8.295 4.745 -9.644 1.00 0.00 C ATOM 351 CD GLN A 14 -7.485 4.869 -10.920 1.00 0.00 C ATOM 352 OE1 GLN A 14 -6.904 5.917 -11.200 1.00 0.00 O ATOM 353 NE2 GLN A 14 -7.447 3.797 -11.702 1.00 0.00 N ATOM 0 H GLN A 14 -9.084 4.661 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.611 6.858 -8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.162 6.637 -10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.247 6.634 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.646 4.403 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.064 3.984 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.944 2.949 -11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.921 3.821 -12.575 1.00 0.00 H new ATOM 362 N GLU A 15 -11.328 3.896 -9.345 1.00 0.00 N ATOM 363 CA GLU A 15 -12.302 3.158 -10.142 1.00 0.00 C ATOM 364 C GLU A 15 -13.715 3.363 -9.606 1.00 0.00 C ATOM 365 O GLU A 15 -14.652 3.604 -10.367 1.00 0.00 O ATOM 366 CB GLU A 15 -11.953 1.667 -10.154 1.00 0.00 C ATOM 367 CG GLU A 15 -11.638 1.128 -11.540 1.00 0.00 C ATOM 368 CD GLU A 15 -10.659 -0.030 -11.506 1.00 0.00 C ATOM 369 OE1 GLU A 15 -10.674 -0.791 -10.516 1.00 0.00 O ATOM 370 OE2 GLU A 15 -9.877 -0.176 -12.470 1.00 0.00 O ATOM 0 H GLU A 15 -10.677 3.309 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.266 3.540 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.095 1.498 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.787 1.104 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.562 0.804 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.226 1.930 -12.153 1.00 0.00 H new ATOM 377 N GLN A 16 -13.862 3.259 -8.289 1.00 0.00 N ATOM 378 CA GLN A 16 -15.160 3.425 -7.645 1.00 0.00 C ATOM 379 C GLN A 16 -15.679 4.851 -7.806 1.00 0.00 C ATOM 380 O GLN A 16 -16.884 5.073 -7.923 1.00 0.00 O ATOM 381 CB GLN A 16 -15.064 3.073 -6.158 1.00 0.00 C ATOM 382 CG GLN A 16 -14.661 1.630 -5.901 1.00 0.00 C ATOM 383 CD GLN A 16 -15.845 0.745 -5.566 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.461 0.885 -4.509 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.170 -0.175 -6.468 1.00 0.00 N ATOM 0 H GLN A 16 -13.096 3.060 -7.646 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.862 2.748 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.340 3.734 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.028 3.263 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.155 1.236 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.944 1.597 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.632 -0.256 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.958 -0.800 -6.298 1.00 0.00 H new ATOM 394 N THR A 17 -14.766 5.816 -7.807 1.00 0.00 N ATOM 395 CA THR A 17 -15.139 7.220 -7.951 1.00 0.00 C ATOM 396 C THR A 17 -15.242 7.624 -9.423 1.00 0.00 C ATOM 397 O THR A 17 -15.414 8.802 -9.737 1.00 0.00 O ATOM 398 CB THR A 17 -14.124 8.113 -7.234 1.00 0.00 C ATOM 399 OG1 THR A 17 -14.576 9.455 -7.191 1.00 0.00 O ATOM 400 CG2 THR A 17 -12.758 8.111 -7.884 1.00 0.00 C ATOM 0 H THR A 17 -13.764 5.653 -7.710 1.00 0.00 H new ATOM 0 HA THR A 17 -16.121 7.352 -7.496 1.00 0.00 H new ATOM 0 HB THR A 17 -14.032 7.694 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.914 10.009 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.088 8.764 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.358 7.097 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.843 8.470 -8.910 1.00 0.00 H new ATOM 408 N ALA A 18 -15.140 6.648 -10.321 1.00 0.00 N ATOM 409 CA ALA A 18 -15.227 6.918 -11.751 1.00 0.00 C ATOM 410 C ALA A 18 -16.677 6.943 -12.218 1.00 0.00 C ATOM 411 O ALA A 18 -17.426 5.990 -12.003 1.00 0.00 O ATOM 412 CB ALA A 18 -14.436 5.879 -12.532 1.00 0.00 C ATOM 0 H ALA A 18 -14.997 5.666 -10.084 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.797 7.902 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.509 6.092 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.390 5.912 -12.226 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.841 4.887 -12.332 1.00 0.00 H new ATOM 418 N GLY A 19 -17.070 8.040 -12.860 1.00 0.00 N ATOM 419 CA GLY A 19 -18.431 8.168 -13.346 1.00 0.00 C ATOM 420 C GLY A 19 -18.963 9.582 -13.229 1.00 0.00 C ATOM 421 O GLY A 19 -19.895 9.963 -13.938 1.00 0.00 O ATOM 0 H GLY A 19 -16.469 8.842 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.471 7.854 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.078 7.493 -12.785 1.00 0.00 H new ATOM 425 N TYR A 20 -18.373 10.365 -12.330 1.00 0.00 N ATOM 426 CA TYR A 20 -18.798 11.745 -12.121 1.00 0.00 C ATOM 427 C TYR A 20 -18.181 12.668 -13.171 1.00 0.00 C ATOM 428 O TYR A 20 -17.013 12.516 -13.533 1.00 0.00 O ATOM 429 CB TYR A 20 -18.407 12.215 -10.718 1.00 0.00 C ATOM 430 CG TYR A 20 -18.914 11.313 -9.614 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.254 10.131 -9.299 1.00 0.00 C ATOM 432 CD2 TYR A 20 -20.051 11.642 -8.886 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.714 9.305 -8.290 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.516 10.821 -7.878 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.845 9.654 -7.584 1.00 0.00 C ATOM 436 OH TYR A 20 -20.305 8.833 -6.579 1.00 0.00 O ATOM 0 H TYR A 20 -17.600 10.067 -11.735 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.883 11.785 -12.220 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.321 12.278 -10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.794 13.222 -10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.368 9.853 -9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.580 12.556 -9.113 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.189 8.390 -8.056 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.402 11.092 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.601 8.200 -6.325 1.00 0.00 H new ATOM 446 N PRO A 21 -18.958 13.644 -13.679 1.00 0.00 N ATOM 447 CA PRO A 21 -18.479 14.591 -14.692 1.00 0.00 C ATOM 448 C PRO A 21 -17.495 15.609 -14.121 1.00 0.00 C ATOM 449 O PRO A 21 -17.737 16.815 -14.167 1.00 0.00 O ATOM 450 CB PRO A 21 -19.758 15.286 -15.158 1.00 0.00 C ATOM 451 CG PRO A 21 -20.680 15.200 -13.992 1.00 0.00 C ATOM 452 CD PRO A 21 -20.363 13.900 -13.304 1.00 0.00 C ATOM 0 HA PRO A 21 -17.933 14.090 -15.491 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.567 16.322 -15.436 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -20.180 14.793 -16.034 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.535 16.044 -13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -21.721 15.226 -14.315 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.482 13.979 -12.223 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -21.020 13.098 -13.639 1.00 0.00 H new ATOM 460 N GLY A 22 -16.385 15.112 -13.585 1.00 0.00 N ATOM 461 CA GLY A 22 -15.382 15.988 -13.012 1.00 0.00 C ATOM 462 C GLY A 22 -14.631 15.332 -11.873 1.00 0.00 C ATOM 463 O GLY A 22 -14.315 15.980 -10.874 1.00 0.00 O ATOM 0 H GLY A 22 -16.163 14.118 -13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.676 16.284 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.861 16.899 -12.652 1.00 0.00 H new ATOM 467 N VAL A 23 -14.345 14.043 -12.022 1.00 0.00 N ATOM 468 CA VAL A 23 -13.628 13.300 -10.998 1.00 0.00 C ATOM 469 C VAL A 23 -12.255 12.862 -11.498 1.00 0.00 C ATOM 470 O VAL A 23 -12.143 12.141 -12.489 1.00 0.00 O ATOM 471 CB VAL A 23 -14.422 12.059 -10.544 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.625 11.095 -11.704 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.721 11.368 -9.382 1.00 0.00 C ATOM 0 H VAL A 23 -14.600 13.493 -12.843 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.503 13.970 -10.148 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.403 12.388 -10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.187 10.227 -11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.178 11.594 -12.500 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.655 10.773 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.297 10.495 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.724 11.054 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.639 12.060 -8.544 1.00 0.00 H new ATOM 483 N HIS A 24 -11.218 13.302 -10.800 1.00 0.00 N ATOM 484 CA HIS A 24 -9.847 12.961 -11.162 1.00 0.00 C ATOM 485 C HIS A 24 -9.013 12.691 -9.915 1.00 0.00 C ATOM 486 O HIS A 24 -8.474 13.616 -9.305 1.00 0.00 O ATOM 487 CB HIS A 24 -9.216 14.088 -11.981 1.00 0.00 C ATOM 488 CG HIS A 24 -9.986 14.434 -13.216 1.00 0.00 C ATOM 489 ND1 HIS A 24 -9.877 13.726 -14.396 1.00 0.00 N ATOM 490 CD2 HIS A 24 -10.885 15.420 -13.455 1.00 0.00 C ATOM 491 CE1 HIS A 24 -10.672 14.263 -15.305 1.00 0.00 C ATOM 492 NE2 HIS A 24 -11.295 15.291 -14.758 1.00 0.00 N ATOM 0 H HIS A 24 -11.299 13.898 -9.976 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.869 12.055 -11.768 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.130 14.976 -11.355 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.204 13.798 -12.263 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.217 16.168 -12.751 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.792 13.920 -16.322 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -11.972 15.892 -15.228 1.00 0.00 H new ATOM 501 N VAL A 25 -8.911 11.421 -9.539 1.00 0.00 N ATOM 502 CA VAL A 25 -8.146 11.031 -8.362 1.00 0.00 C ATOM 503 C VAL A 25 -6.925 10.201 -8.747 1.00 0.00 C ATOM 504 O VAL A 25 -7.051 9.048 -9.158 1.00 0.00 O ATOM 505 CB VAL A 25 -9.008 10.226 -7.373 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.257 10.000 -6.069 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.331 10.932 -7.119 1.00 0.00 C ATOM 0 H VAL A 25 -9.349 10.644 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.818 11.952 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.221 9.253 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.883 9.429 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.339 9.447 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.010 10.962 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.926 10.348 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.142 11.920 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.875 11.035 -8.058 1.00 0.00 H new ATOM 517 N SER A 26 -5.745 10.795 -8.605 1.00 0.00 N ATOM 518 CA SER A 26 -4.501 10.109 -8.933 1.00 0.00 C ATOM 519 C SER A 26 -3.352 10.615 -8.064 1.00 0.00 C ATOM 520 O SER A 26 -2.184 10.494 -8.432 1.00 0.00 O ATOM 521 CB SER A 26 -4.161 10.303 -10.411 1.00 0.00 C ATOM 522 OG SER A 26 -2.900 9.738 -10.724 1.00 0.00 O ATOM 0 H SER A 26 -5.624 11.749 -8.265 1.00 0.00 H new ATOM 0 HA SER A 26 -4.640 9.046 -8.736 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.932 9.842 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.155 11.367 -10.649 1.00 0.00 H new ATOM 0 HG SER A 26 -2.220 10.099 -10.117 1.00 0.00 H new ATOM 528 N ASP A 27 -3.692 11.176 -6.907 1.00 0.00 N ATOM 529 CA ASP A 27 -2.687 11.692 -5.984 1.00 0.00 C ATOM 530 C ASP A 27 -3.035 11.330 -4.545 1.00 0.00 C ATOM 531 O ASP A 27 -4.175 10.983 -4.238 1.00 0.00 O ATOM 532 CB ASP A 27 -2.561 13.209 -6.124 1.00 0.00 C ATOM 533 CG ASP A 27 -1.120 13.677 -6.061 1.00 0.00 C ATOM 534 OD1 ASP A 27 -0.320 13.253 -6.921 1.00 0.00 O ATOM 535 OD2 ASP A 27 -0.792 14.467 -5.150 1.00 0.00 O ATOM 0 H ASP A 27 -4.654 11.285 -6.587 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.731 11.233 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.001 13.522 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.132 13.693 -5.332 1.00 0.00 H new ATOM 540 N LEU A 28 -2.042 11.411 -3.670 1.00 0.00 N ATOM 541 CA LEU A 28 -2.237 11.089 -2.261 1.00 0.00 C ATOM 542 C LEU A 28 -2.193 12.349 -1.400 1.00 0.00 C ATOM 543 O LEU A 28 -1.576 12.360 -0.334 1.00 0.00 O ATOM 544 CB LEU A 28 -1.170 10.098 -1.791 1.00 0.00 C ATOM 545 CG LEU A 28 -1.114 8.785 -2.579 1.00 0.00 C ATOM 546 CD1 LEU A 28 0.263 8.586 -3.193 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.474 7.608 -1.682 1.00 0.00 C ATOM 0 H LEU A 28 -1.093 11.697 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.221 10.633 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.195 10.582 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.348 9.867 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.844 8.839 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.282 7.648 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.483 9.412 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.013 8.555 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.429 6.684 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.768 7.553 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.483 7.743 -1.292 1.00 0.00 H new ATOM 559 N SER A 29 -2.849 13.405 -1.865 1.00 0.00 N ATOM 560 CA SER A 29 -2.881 14.666 -1.131 1.00 0.00 C ATOM 561 C SER A 29 -3.953 15.600 -1.688 1.00 0.00 C ATOM 562 O SER A 29 -5.038 15.724 -1.119 1.00 0.00 O ATOM 563 CB SER A 29 -1.512 15.347 -1.187 1.00 0.00 C ATOM 564 OG SER A 29 -0.550 14.622 -0.440 1.00 0.00 O ATOM 0 H SER A 29 -3.365 13.415 -2.745 1.00 0.00 H new ATOM 0 HA SER A 29 -3.127 14.445 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.185 15.429 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.591 16.362 -0.796 1.00 0.00 H new ATOM 0 HG SER A 29 -0.979 13.848 -0.019 1.00 0.00 H new ATOM 570 N SER A 30 -3.641 16.257 -2.800 1.00 0.00 N ATOM 571 CA SER A 30 -4.576 17.183 -3.430 1.00 0.00 C ATOM 572 C SER A 30 -5.803 16.445 -3.957 1.00 0.00 C ATOM 573 O SER A 30 -6.916 16.970 -3.928 1.00 0.00 O ATOM 574 CB SER A 30 -3.892 17.935 -4.572 1.00 0.00 C ATOM 575 OG SER A 30 -2.992 18.909 -4.075 1.00 0.00 O ATOM 0 H SER A 30 -2.748 16.166 -3.284 1.00 0.00 H new ATOM 0 HA SER A 30 -4.901 17.899 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.355 17.229 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.645 18.416 -5.197 1.00 0.00 H new ATOM 0 HG SER A 30 -2.567 19.374 -4.825 1.00 0.00 H new ATOM 581 N SER A 31 -5.590 15.224 -4.440 1.00 0.00 N ATOM 582 CA SER A 31 -6.677 14.411 -4.975 1.00 0.00 C ATOM 583 C SER A 31 -7.805 14.251 -3.957 1.00 0.00 C ATOM 584 O SER A 31 -8.953 14.004 -4.325 1.00 0.00 O ATOM 585 CB SER A 31 -6.151 13.037 -5.393 1.00 0.00 C ATOM 586 OG SER A 31 -5.888 12.991 -6.784 1.00 0.00 O ATOM 0 H SER A 31 -4.674 14.776 -4.472 1.00 0.00 H new ATOM 0 HA SER A 31 -7.080 14.924 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.239 12.810 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.881 12.271 -5.133 1.00 0.00 H new ATOM 0 HG SER A 31 -5.216 13.667 -7.012 1.00 0.00 H new ATOM 592 N TRP A 32 -7.471 14.393 -2.677 1.00 0.00 N ATOM 593 CA TRP A 32 -8.461 14.262 -1.611 1.00 0.00 C ATOM 594 C TRP A 32 -8.777 15.614 -0.971 1.00 0.00 C ATOM 595 O TRP A 32 -9.476 15.679 0.040 1.00 0.00 O ATOM 596 CB TRP A 32 -7.957 13.289 -0.542 1.00 0.00 C ATOM 597 CG TRP A 32 -7.475 11.987 -1.102 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.273 11.747 -1.702 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.186 10.744 -1.113 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.193 10.430 -2.086 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.355 9.793 -1.736 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.445 10.342 -0.656 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.742 8.468 -1.913 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.827 9.025 -0.834 1.00 0.00 C ATOM 605 CH2 TRP A 32 -8.978 8.102 -1.456 1.00 0.00 C ATOM 0 H TRP A 32 -6.526 14.598 -2.353 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.378 13.874 -2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.146 13.760 0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.760 13.095 0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.498 12.484 -1.853 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.398 9.997 -2.555 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.106 11.047 -0.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.090 7.754 -2.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.798 8.703 -0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.306 7.080 -1.577 1.00 0.00 H new ATOM 616 N ALA A 33 -8.260 16.690 -1.560 1.00 0.00 N ATOM 617 CA ALA A 33 -8.490 18.033 -1.036 1.00 0.00 C ATOM 618 C ALA A 33 -9.980 18.321 -0.871 1.00 0.00 C ATOM 619 O ALA A 33 -10.449 18.584 0.236 1.00 0.00 O ATOM 620 CB ALA A 33 -7.848 19.068 -1.946 1.00 0.00 C ATOM 0 H ALA A 33 -7.680 16.658 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.030 18.092 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.026 20.066 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.775 18.886 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.282 18.995 -2.943 1.00 0.00 H new ATOM 626 N ASP A 34 -10.717 18.274 -1.975 1.00 0.00 N ATOM 627 CA ASP A 34 -12.154 18.536 -1.945 1.00 0.00 C ATOM 628 C ASP A 34 -12.935 17.315 -1.456 1.00 0.00 C ATOM 629 O ASP A 34 -14.155 17.370 -1.315 1.00 0.00 O ATOM 630 CB ASP A 34 -12.649 18.950 -3.333 1.00 0.00 C ATOM 631 CG ASP A 34 -12.224 17.973 -4.413 1.00 0.00 C ATOM 632 OD1 ASP A 34 -12.165 16.759 -4.126 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.950 18.422 -5.546 1.00 0.00 O ATOM 0 H ASP A 34 -10.346 18.058 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.327 19.352 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.736 19.024 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.265 19.942 -3.572 1.00 0.00 H new ATOM 638 N GLY A 35 -12.229 16.214 -1.196 1.00 0.00 N ATOM 639 CA GLY A 35 -12.888 15.009 -0.726 1.00 0.00 C ATOM 640 C GLY A 35 -13.823 14.414 -1.763 1.00 0.00 C ATOM 641 O GLY A 35 -14.880 13.883 -1.423 1.00 0.00 O ATOM 0 H GLY A 35 -11.217 16.137 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.135 14.270 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.452 15.237 0.179 1.00 0.00 H new ATOM 645 N LEU A 36 -13.433 14.506 -3.029 1.00 0.00 N ATOM 646 CA LEU A 36 -14.242 13.976 -4.121 1.00 0.00 C ATOM 647 C LEU A 36 -14.313 12.452 -4.064 1.00 0.00 C ATOM 648 O LEU A 36 -15.360 11.860 -4.324 1.00 0.00 O ATOM 649 CB LEU A 36 -13.669 14.425 -5.467 1.00 0.00 C ATOM 650 CG LEU A 36 -14.564 15.376 -6.266 1.00 0.00 C ATOM 651 CD1 LEU A 36 -13.739 16.493 -6.888 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.328 14.614 -7.340 1.00 0.00 C ATOM 0 H LEU A 36 -12.560 14.943 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.254 14.367 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.710 14.913 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.471 13.541 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.285 15.823 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.393 17.158 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.239 17.057 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.993 16.065 -7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.959 15.306 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.622 14.138 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.951 13.852 -6.872 1.00 0.00 H new ATOM 664 N ALA A 37 -13.190 11.824 -3.728 1.00 0.00 N ATOM 665 CA ALA A 37 -13.125 10.369 -3.644 1.00 0.00 C ATOM 666 C ALA A 37 -14.025 9.832 -2.536 1.00 0.00 C ATOM 667 O ALA A 37 -14.777 8.880 -2.741 1.00 0.00 O ATOM 668 CB ALA A 37 -11.688 9.920 -3.421 1.00 0.00 C ATOM 0 H ALA A 37 -12.314 12.299 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.484 9.963 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.652 8.832 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.068 10.258 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.313 10.348 -2.491 1.00 0.00 H new ATOM 674 N LEU A 38 -13.940 10.446 -1.359 1.00 0.00 N ATOM 675 CA LEU A 38 -14.746 10.023 -0.218 1.00 0.00 C ATOM 676 C LEU A 38 -16.236 10.169 -0.512 1.00 0.00 C ATOM 677 O LEU A 38 -17.024 9.265 -0.234 1.00 0.00 O ATOM 678 CB LEU A 38 -14.373 10.838 1.024 1.00 0.00 C ATOM 679 CG LEU A 38 -13.511 10.097 2.048 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.251 9.555 1.393 1.00 0.00 C ATOM 681 CD2 LEU A 38 -13.158 11.016 3.209 1.00 0.00 C ATOM 0 H LEU A 38 -13.323 11.236 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.538 8.970 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.842 11.735 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.290 11.167 1.513 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.084 9.255 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.651 9.031 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.524 8.864 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.674 10.380 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.545 10.474 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.604 11.877 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.073 11.356 3.695 1.00 0.00 H new ATOM 693 N CYS A 39 -16.617 11.312 -1.070 1.00 0.00 N ATOM 694 CA CYS A 39 -18.015 11.576 -1.397 1.00 0.00 C ATOM 695 C CYS A 39 -18.496 10.656 -2.515 1.00 0.00 C ATOM 696 O CYS A 39 -19.606 10.125 -2.461 1.00 0.00 O ATOM 697 CB CYS A 39 -18.199 13.038 -1.808 1.00 0.00 C ATOM 698 SG CYS A 39 -17.647 14.228 -0.563 1.00 0.00 S ATOM 0 H CYS A 39 -15.978 12.071 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.613 11.379 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.652 13.216 -2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -19.253 13.214 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.350 14.312 -0.588 1.00 0.00 H new ATOM 704 N ALA A 40 -17.657 10.474 -3.529 1.00 0.00 N ATOM 705 CA ALA A 40 -17.998 9.621 -4.662 1.00 0.00 C ATOM 706 C ALA A 40 -18.314 8.198 -4.207 1.00 0.00 C ATOM 707 O ALA A 40 -19.315 7.613 -4.619 1.00 0.00 O ATOM 708 CB ALA A 40 -16.864 9.613 -5.676 1.00 0.00 C ATOM 0 H ALA A 40 -16.735 10.906 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.892 10.029 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.132 8.972 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.689 10.627 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.957 9.233 -5.205 1.00 0.00 H new ATOM 714 N LEU A 41 -17.452 7.648 -3.356 1.00 0.00 N ATOM 715 CA LEU A 41 -17.640 6.293 -2.848 1.00 0.00 C ATOM 716 C LEU A 41 -18.960 6.171 -2.093 1.00 0.00 C ATOM 717 O LEU A 41 -19.769 5.285 -2.374 1.00 0.00 O ATOM 718 CB LEU A 41 -16.477 5.903 -1.933 1.00 0.00 C ATOM 719 CG LEU A 41 -15.111 5.834 -2.616 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.996 5.982 -1.592 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.963 4.527 -3.381 1.00 0.00 C ATOM 0 H LEU A 41 -16.618 8.119 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.667 5.614 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.421 6.622 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.694 4.931 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.038 6.658 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.031 5.931 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.091 6.943 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.066 5.178 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.985 4.495 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.056 3.689 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.742 4.460 -4.140 1.00 0.00 H new ATOM 733 N VAL A 42 -19.174 7.066 -1.133 1.00 0.00 N ATOM 734 CA VAL A 42 -20.396 7.056 -0.338 1.00 0.00 C ATOM 735 C VAL A 42 -21.626 7.198 -1.229 1.00 0.00 C ATOM 736 O VAL A 42 -22.631 6.515 -1.032 1.00 0.00 O ATOM 737 CB VAL A 42 -20.398 8.187 0.708 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.602 8.061 1.631 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.102 8.181 1.506 1.00 0.00 C ATOM 0 H VAL A 42 -18.517 7.807 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.431 6.097 0.180 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.470 9.140 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.586 8.869 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.518 8.122 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.565 7.102 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.123 8.987 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.995 7.226 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.258 8.326 0.831 1.00 0.00 H new ATOM 749 N TYR A 43 -21.538 8.090 -2.210 1.00 0.00 N ATOM 750 CA TYR A 43 -22.641 8.323 -3.135 1.00 0.00 C ATOM 751 C TYR A 43 -22.976 7.054 -3.912 1.00 0.00 C ATOM 752 O TYR A 43 -24.142 6.768 -4.179 1.00 0.00 O ATOM 753 CB TYR A 43 -22.291 9.453 -4.104 1.00 0.00 C ATOM 754 CG TYR A 43 -23.391 9.768 -5.093 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.400 10.670 -4.777 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.422 9.162 -6.343 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.406 10.959 -5.679 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.425 9.446 -7.250 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.414 10.346 -6.912 1.00 0.00 C ATOM 760 OH TYR A 43 -26.416 10.632 -7.813 1.00 0.00 O ATOM 0 H TYR A 43 -20.713 8.664 -2.385 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.516 8.612 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -22.060 10.352 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.388 9.183 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.398 11.153 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.649 8.457 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -26.183 11.663 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.434 8.966 -8.218 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.274 10.117 -8.634 1.00 0.00 H new ATOM 770 N ARG A 44 -21.945 6.298 -4.276 1.00 0.00 N ATOM 771 CA ARG A 44 -22.133 5.060 -5.025 1.00 0.00 C ATOM 772 C ARG A 44 -22.935 4.049 -4.210 1.00 0.00 C ATOM 773 O ARG A 44 -23.798 3.354 -4.745 1.00 0.00 O ATOM 774 CB ARG A 44 -20.779 4.465 -5.414 1.00 0.00 C ATOM 775 CG ARG A 44 -20.748 3.892 -6.821 1.00 0.00 C ATOM 776 CD ARG A 44 -19.437 3.174 -7.106 1.00 0.00 C ATOM 777 NE ARG A 44 -19.632 1.740 -7.313 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.312 1.224 -8.333 1.00 0.00 C ATOM 779 NH1 ARG A 44 -20.867 2.020 -9.240 1.00 0.00 N ATOM 780 NH2 ARG A 44 -20.440 -0.090 -8.448 1.00 0.00 N ATOM 0 H ARG A 44 -20.972 6.520 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.692 5.292 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.014 5.237 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.520 3.679 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.579 3.198 -6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -20.888 4.695 -7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.971 3.608 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.750 3.330 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.222 1.097 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.773 3.032 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.387 1.619 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.017 -0.706 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.962 -0.485 -9.230 1.00 0.00 H new ATOM 794 N LEU A 45 -22.645 3.976 -2.915 1.00 0.00 N ATOM 795 CA LEU A 45 -23.343 3.051 -2.028 1.00 0.00 C ATOM 796 C LEU A 45 -24.711 3.601 -1.638 1.00 0.00 C ATOM 797 O LEU A 45 -25.677 2.851 -1.497 1.00 0.00 O ATOM 798 CB LEU A 45 -22.509 2.786 -0.774 1.00 0.00 C ATOM 799 CG LEU A 45 -21.475 1.666 -0.908 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.163 0.314 -1.021 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.576 1.913 -2.111 1.00 0.00 C ATOM 0 H LEU A 45 -21.933 4.545 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.488 2.112 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.992 3.706 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.183 2.541 0.047 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.855 1.660 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.412 -0.470 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.763 0.136 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.808 0.306 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.846 1.107 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.181 1.946 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.055 2.863 -1.987 1.00 0.00 H new ATOM 813 N GLN A 46 -24.786 4.917 -1.466 1.00 0.00 N ATOM 814 CA GLN A 46 -26.033 5.574 -1.093 1.00 0.00 C ATOM 815 C GLN A 46 -26.148 6.938 -1.769 1.00 0.00 C ATOM 816 O GLN A 46 -25.949 7.973 -1.133 1.00 0.00 O ATOM 817 CB GLN A 46 -26.117 5.732 0.427 1.00 0.00 C ATOM 818 CG GLN A 46 -26.939 4.649 1.108 1.00 0.00 C ATOM 819 CD GLN A 46 -26.736 4.621 2.609 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.622 4.417 3.093 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.815 4.826 3.356 1.00 0.00 N ATOM 0 H GLN A 46 -23.995 5.551 -1.580 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.861 4.950 -1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.109 5.725 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.550 6.705 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.995 4.809 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.671 3.678 0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.719 4.991 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -27.740 4.818 4.373 1.00 0.00 H new ATOM 830 N PRO A 47 -26.466 6.956 -3.075 1.00 0.00 N ATOM 831 CA PRO A 47 -26.601 8.202 -3.838 1.00 0.00 C ATOM 832 C PRO A 47 -27.803 9.028 -3.397 1.00 0.00 C ATOM 833 O PRO A 47 -27.816 10.251 -3.541 1.00 0.00 O ATOM 834 CB PRO A 47 -26.784 7.721 -5.280 1.00 0.00 C ATOM 835 CG PRO A 47 -27.329 6.341 -5.155 1.00 0.00 C ATOM 836 CD PRO A 47 -26.719 5.766 -3.909 1.00 0.00 C ATOM 0 HA PRO A 47 -25.741 8.857 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.468 8.368 -5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.838 7.725 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.417 6.356 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.073 5.740 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.394 5.066 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.799 5.223 -4.125 1.00 0.00 H new ATOM 844 N GLY A 48 -28.813 8.355 -2.857 1.00 0.00 N ATOM 845 CA GLY A 48 -30.005 9.045 -2.404 1.00 0.00 C ATOM 846 C GLY A 48 -29.765 9.848 -1.140 1.00 0.00 C ATOM 847 O GLY A 48 -30.431 10.856 -0.902 1.00 0.00 O ATOM 0 H GLY A 48 -28.827 7.344 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.358 9.710 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.796 8.317 -2.224 1.00 0.00 H new ATOM 851 N LEU A 49 -28.816 9.399 -0.325 1.00 0.00 N ATOM 852 CA LEU A 49 -28.497 10.082 0.924 1.00 0.00 C ATOM 853 C LEU A 49 -27.114 10.725 0.864 1.00 0.00 C ATOM 854 O LEU A 49 -26.396 10.765 1.863 1.00 0.00 O ATOM 855 CB LEU A 49 -28.568 9.101 2.098 1.00 0.00 C ATOM 856 CG LEU A 49 -29.945 8.976 2.752 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.182 7.553 3.231 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.076 9.958 3.905 1.00 0.00 C ATOM 0 H LEU A 49 -28.255 8.567 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.233 10.872 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.257 8.116 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.849 9.412 2.856 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.704 9.216 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.167 7.484 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -30.131 6.870 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.419 7.283 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.061 9.856 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.309 9.748 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.951 10.975 3.533 1.00 0.00 H new ATOM 870 N LEU A 50 -26.748 11.232 -0.309 1.00 0.00 N ATOM 871 CA LEU A 50 -25.450 11.876 -0.490 1.00 0.00 C ATOM 872 C LEU A 50 -25.528 12.978 -1.544 1.00 0.00 C ATOM 873 O LEU A 50 -26.484 13.047 -2.316 1.00 0.00 O ATOM 874 CB LEU A 50 -24.395 10.841 -0.893 1.00 0.00 C ATOM 875 CG LEU A 50 -23.219 10.699 0.077 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.351 11.947 0.051 1.00 0.00 C ATOM 877 CD2 LEU A 50 -23.719 10.423 1.487 1.00 0.00 C ATOM 0 H LEU A 50 -27.329 11.210 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.162 12.328 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.881 9.871 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -24.005 11.107 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.611 9.853 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.521 11.827 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.962 12.099 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.947 12.811 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.869 10.325 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.351 11.247 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.296 9.498 1.494 1.00 0.00 H new ATOM 889 N GLU A 51 -24.515 13.837 -1.567 1.00 0.00 N ATOM 890 CA GLU A 51 -24.460 14.936 -2.525 1.00 0.00 C ATOM 891 C GLU A 51 -23.011 15.327 -2.815 1.00 0.00 C ATOM 892 O GLU A 51 -22.580 16.436 -2.497 1.00 0.00 O ATOM 893 CB GLU A 51 -25.231 16.144 -1.988 1.00 0.00 C ATOM 894 CG GLU A 51 -26.677 15.835 -1.639 1.00 0.00 C ATOM 895 CD GLU A 51 -27.446 17.065 -1.200 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.913 17.820 -2.079 1.00 0.00 O ATOM 897 OE2 GLU A 51 -27.584 17.274 0.023 1.00 0.00 O ATOM 0 H GLU A 51 -23.718 13.793 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.922 14.604 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.724 16.523 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.207 16.940 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.170 15.393 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -26.704 15.091 -0.843 1.00 0.00 H new ATOM 904 N PRO A 52 -22.238 14.412 -3.426 1.00 0.00 N ATOM 905 CA PRO A 52 -20.830 14.659 -3.761 1.00 0.00 C ATOM 906 C PRO A 52 -20.652 15.875 -4.661 1.00 0.00 C ATOM 907 O PRO A 52 -19.598 16.508 -4.658 1.00 0.00 O ATOM 908 CB PRO A 52 -20.396 13.382 -4.494 1.00 0.00 C ATOM 909 CG PRO A 52 -21.667 12.716 -4.902 1.00 0.00 C ATOM 910 CD PRO A 52 -22.670 13.069 -3.843 1.00 0.00 C ATOM 0 HA PRO A 52 -20.238 14.873 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.778 13.616 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.804 12.737 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.994 13.064 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.537 11.636 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.687 13.074 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.650 12.361 -3.014 1.00 0.00 H new ATOM 918 N SER A 53 -21.687 16.197 -5.427 1.00 0.00 N ATOM 919 CA SER A 53 -21.637 17.341 -6.329 1.00 0.00 C ATOM 920 C SER A 53 -21.508 18.640 -5.543 1.00 0.00 C ATOM 921 O SER A 53 -20.754 19.537 -5.922 1.00 0.00 O ATOM 922 CB SER A 53 -22.889 17.383 -7.207 1.00 0.00 C ATOM 923 OG SER A 53 -22.642 18.083 -8.415 1.00 0.00 O ATOM 0 H SER A 53 -22.569 15.684 -5.442 1.00 0.00 H new ATOM 0 HA SER A 53 -20.761 17.232 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.214 16.367 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.702 17.865 -6.664 1.00 0.00 H new ATOM 0 HG SER A 53 -23.457 18.094 -8.959 1.00 0.00 H new ATOM 929 N GLU A 54 -22.250 18.732 -4.447 1.00 0.00 N ATOM 930 CA GLU A 54 -22.220 19.921 -3.603 1.00 0.00 C ATOM 931 C GLU A 54 -20.903 20.016 -2.838 1.00 0.00 C ATOM 932 O GLU A 54 -20.244 21.056 -2.845 1.00 0.00 O ATOM 933 CB GLU A 54 -23.394 19.901 -2.620 1.00 0.00 C ATOM 934 CG GLU A 54 -24.709 20.346 -3.236 1.00 0.00 C ATOM 935 CD GLU A 54 -25.134 21.726 -2.773 1.00 0.00 C ATOM 936 OE1 GLU A 54 -24.300 22.655 -2.832 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.299 21.878 -2.349 1.00 0.00 O ATOM 0 H GLU A 54 -22.880 17.999 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.307 20.796 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.510 18.891 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.161 20.548 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.616 20.344 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.487 19.626 -2.982 1.00 0.00 H new ATOM 944 N LEU A 55 -20.525 18.924 -2.182 1.00 0.00 N ATOM 945 CA LEU A 55 -19.285 18.882 -1.411 1.00 0.00 C ATOM 946 C LEU A 55 -18.062 19.029 -2.315 1.00 0.00 C ATOM 947 O LEU A 55 -16.953 19.266 -1.841 1.00 0.00 O ATOM 948 CB LEU A 55 -19.195 17.571 -0.626 1.00 0.00 C ATOM 949 CG LEU A 55 -20.435 17.221 0.196 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.390 15.767 0.640 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.554 18.145 1.401 1.00 0.00 C ATOM 0 H LEU A 55 -21.059 18.055 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.297 19.721 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.001 16.759 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.337 17.625 0.044 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.315 17.360 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.281 15.537 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.353 15.120 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.503 15.600 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.442 17.882 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.670 18.038 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.634 19.178 1.061 1.00 0.00 H new ATOM 963 N GLN A 56 -18.270 18.875 -3.616 1.00 0.00 N ATOM 964 CA GLN A 56 -17.184 18.977 -4.582 1.00 0.00 C ATOM 965 C GLN A 56 -16.578 20.375 -4.610 1.00 0.00 C ATOM 966 O GLN A 56 -15.362 20.531 -4.721 1.00 0.00 O ATOM 967 CB GLN A 56 -17.694 18.606 -5.975 1.00 0.00 C ATOM 968 CG GLN A 56 -16.747 17.705 -6.749 1.00 0.00 C ATOM 969 CD GLN A 56 -16.474 18.213 -8.153 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.500 17.310 -9.125 1.00 0.00 O flip ATOM 971 NE2 GLN A 56 -16.242 19.405 -8.360 1.00 0.00 N flip ATOM 0 H GLN A 56 -19.183 18.679 -4.027 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.402 18.282 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.659 18.108 -5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -17.862 19.519 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.805 17.623 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -17.170 16.702 -6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.232 20.065 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.060 19.732 -9.309 1.00 0.00 H new ATOM 980 N GLY A 57 -17.428 21.387 -4.518 1.00 0.00 N ATOM 981 CA GLY A 57 -16.946 22.754 -4.546 1.00 0.00 C ATOM 982 C GLY A 57 -17.164 23.487 -3.235 1.00 0.00 C ATOM 983 O GLY A 57 -16.657 24.592 -3.047 1.00 0.00 O ATOM 0 H GLY A 57 -18.439 21.288 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.882 22.753 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.451 23.295 -5.347 1.00 0.00 H new ATOM 987 N LEU A 58 -17.915 22.873 -2.326 1.00 0.00 N ATOM 988 CA LEU A 58 -18.187 23.482 -1.031 1.00 0.00 C ATOM 989 C LEU A 58 -16.885 23.793 -0.298 1.00 0.00 C ATOM 990 O LEU A 58 -16.817 24.734 0.492 1.00 0.00 O ATOM 991 CB LEU A 58 -19.059 22.560 -0.179 1.00 0.00 C ATOM 992 CG LEU A 58 -20.535 22.963 -0.099 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.432 21.812 -0.534 1.00 0.00 C ATOM 994 CD2 LEU A 58 -20.890 23.414 1.311 1.00 0.00 C ATOM 0 H LEU A 58 -18.344 21.958 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.723 24.416 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.994 21.549 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.651 22.528 0.831 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.698 23.799 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.476 22.120 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.198 21.537 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.266 20.955 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.942 23.696 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.708 22.598 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.274 24.271 1.585 1.00 0.00 H new ATOM 1006 N GLY A 59 -15.852 23.000 -0.571 1.00 0.00 N ATOM 1007 CA GLY A 59 -14.570 23.217 0.071 1.00 0.00 C ATOM 1008 C GLY A 59 -13.890 21.923 0.469 1.00 0.00 C ATOM 1009 O GLY A 59 -14.462 20.843 0.330 1.00 0.00 O ATOM 0 H GLY A 59 -15.881 22.215 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.919 23.772 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.712 23.836 0.957 1.00 0.00 H new ATOM 1013 N ALA A 60 -12.661 22.034 0.963 1.00 0.00 N ATOM 1014 CA ALA A 60 -11.898 20.865 1.382 1.00 0.00 C ATOM 1015 C ALA A 60 -12.367 20.360 2.742 1.00 0.00 C ATOM 1016 O ALA A 60 -12.861 19.238 2.862 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.413 21.196 1.420 1.00 0.00 C ATOM 0 H ALA A 60 -12.173 22.922 1.083 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.065 20.070 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.852 20.316 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.083 21.501 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.239 22.008 2.126 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.208 21.193 3.765 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.615 20.830 5.117 1.00 0.00 C ATOM 1025 C LEU A 61 -14.122 20.603 5.192 1.00 0.00 C ATOM 1026 O LEU A 61 -14.589 19.712 5.902 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.201 21.921 6.107 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.755 21.416 7.480 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -12.824 20.524 8.094 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.435 20.668 7.368 1.00 0.00 C ATOM 0 H LEU A 61 -11.800 22.124 3.683 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.114 19.899 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.388 22.499 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.040 22.604 6.243 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.609 22.276 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.489 20.174 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.748 21.090 8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.001 19.668 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.132 20.315 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.555 19.816 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.671 21.336 6.971 1.00 0.00 H new ATOM 1042 N GLU A 62 -14.875 21.415 4.460 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.330 21.304 4.447 1.00 0.00 C ATOM 1044 C GLU A 62 -16.774 19.986 3.822 1.00 0.00 C ATOM 1045 O GLU A 62 -17.633 19.290 4.365 1.00 0.00 O ATOM 1046 CB GLU A 62 -16.944 22.477 3.682 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.228 23.002 4.302 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.004 23.623 5.668 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -17.940 22.868 6.660 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -17.893 24.865 5.744 1.00 0.00 O ATOM 0 H GLU A 62 -14.503 22.157 3.868 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.679 21.328 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.217 23.287 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.146 22.166 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.671 23.744 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.945 22.186 4.391 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.189 19.648 2.678 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.531 18.415 1.979 1.00 0.00 C ATOM 1059 C ALA A 63 -16.077 17.191 2.768 1.00 0.00 C ATOM 1060 O ALA A 63 -16.815 16.212 2.895 1.00 0.00 O ATOM 1061 CB ALA A 63 -15.908 18.407 0.593 1.00 0.00 C ATOM 0 H ALA A 63 -15.475 20.211 2.215 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.616 18.371 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.171 17.481 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.282 19.256 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.824 18.478 0.681 1.00 0.00 H new ATOM 1067 N THR A 64 -14.859 17.253 3.294 1.00 0.00 N ATOM 1068 CA THR A 64 -14.305 16.148 4.069 1.00 0.00 C ATOM 1069 C THR A 64 -15.056 15.965 5.385 1.00 0.00 C ATOM 1070 O THR A 64 -15.476 14.859 5.721 1.00 0.00 O ATOM 1071 CB THR A 64 -12.820 16.389 4.346 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.137 16.734 3.153 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.119 15.189 4.944 1.00 0.00 C ATOM 0 H THR A 64 -14.237 18.055 3.198 1.00 0.00 H new ATOM 0 HA THR A 64 -14.418 15.237 3.482 1.00 0.00 H new ATOM 0 HB THR A 64 -12.791 17.204 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.127 17.709 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.070 15.429 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.590 14.927 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.191 14.346 4.257 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.215 17.058 6.126 1.00 0.00 N ATOM 1082 CA ALA A 65 -15.909 17.019 7.409 1.00 0.00 C ATOM 1083 C ALA A 65 -17.358 16.575 7.245 1.00 0.00 C ATOM 1084 O ALA A 65 -17.861 15.766 8.026 1.00 0.00 O ATOM 1085 CB ALA A 65 -15.846 18.381 8.083 1.00 0.00 C ATOM 0 H ALA A 65 -14.873 17.981 5.860 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.406 16.287 8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.367 18.338 9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.805 18.657 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.321 19.126 7.444 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.028 17.108 6.230 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.422 16.766 5.972 1.00 0.00 C ATOM 1093 C TRP A 66 -19.558 15.309 5.544 1.00 0.00 C ATOM 1094 O TRP A 66 -20.378 14.566 6.085 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.004 17.682 4.892 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.502 17.689 4.862 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.329 18.588 5.472 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.352 16.754 4.187 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.641 18.269 5.218 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.681 17.146 4.432 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.118 15.623 3.401 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -24.770 16.449 3.918 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.202 14.930 2.891 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.512 15.345 3.151 1.00 0.00 C ATOM 0 H TRP A 66 -17.629 17.778 5.573 1.00 0.00 H new ATOM 0 HA TRP A 66 -19.979 16.907 6.898 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.646 18.698 5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.630 17.366 3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.000 19.427 6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.453 18.784 5.559 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.110 15.295 3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -25.783 16.768 4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.033 14.054 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.337 14.783 2.738 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.750 14.905 4.569 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.782 13.537 4.067 1.00 0.00 C ATOM 1117 C ALA A 67 -18.440 12.535 5.164 1.00 0.00 C ATOM 1118 O ALA A 67 -19.009 11.447 5.221 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.825 13.385 2.894 1.00 0.00 C ATOM 0 H ALA A 67 -18.065 15.506 4.111 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.796 13.327 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.858 12.359 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.119 14.065 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.812 13.622 3.218 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.502 12.906 6.029 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.082 12.034 7.121 1.00 0.00 C ATOM 1127 C LEU A 68 -18.219 11.799 8.111 1.00 0.00 C ATOM 1128 O LEU A 68 -18.402 10.687 8.606 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.874 12.635 7.846 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.535 11.962 7.538 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.425 12.998 7.437 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.203 10.926 8.601 1.00 0.00 C ATOM 0 H LEU A 68 -17.018 13.803 5.996 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.801 11.073 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.801 13.691 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.051 12.583 8.920 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.619 11.455 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.481 12.499 7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.657 13.703 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.341 13.534 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.247 10.457 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.139 11.411 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.984 10.166 8.625 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.979 12.851 8.401 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.091 12.750 9.340 1.00 0.00 C ATOM 1146 C LYS A 69 -21.243 11.943 8.748 1.00 0.00 C ATOM 1147 O LYS A 69 -21.773 11.038 9.393 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.581 14.146 9.731 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.268 14.191 11.087 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.397 15.616 11.600 1.00 0.00 C ATOM 1151 CE LYS A 69 -21.084 15.705 13.086 1.00 0.00 C ATOM 1152 NZ LYS A 69 -19.619 15.752 13.342 1.00 0.00 N ATOM 0 H LYS A 69 -18.846 13.780 8.001 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.733 12.231 10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.733 14.831 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.273 14.506 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -22.257 13.740 11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.701 13.596 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.720 16.266 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.409 15.979 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.554 16.595 13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -21.515 14.846 13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.447 15.812 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.173 14.891 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.211 16.586 12.873 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.628 12.272 7.520 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.718 11.573 6.850 1.00 0.00 C ATOM 1168 C VAL A 70 -22.325 10.141 6.508 1.00 0.00 C ATOM 1169 O VAL A 70 -23.083 9.206 6.763 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.150 12.300 5.561 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.397 11.654 4.974 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.384 13.777 5.836 1.00 0.00 C ATOM 0 H VAL A 70 -21.202 13.017 6.969 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.557 11.560 7.545 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.347 12.213 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.686 12.181 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.189 10.610 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.210 11.707 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.688 14.275 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.168 13.888 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.463 14.229 6.205 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.136 9.971 5.938 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.653 8.645 5.575 1.00 0.00 C ATOM 1184 C ALA A 71 -20.673 7.726 6.789 1.00 0.00 C ATOM 1185 O ALA A 71 -21.110 6.578 6.709 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.249 8.730 4.995 1.00 0.00 C ATOM 0 H ALA A 71 -20.493 10.731 5.719 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.314 8.231 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.904 7.731 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.261 9.358 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.575 9.162 5.735 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.208 8.251 7.916 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.182 7.498 9.160 1.00 0.00 C ATOM 1194 C GLU A 72 -21.599 7.283 9.681 1.00 0.00 C ATOM 1195 O GLU A 72 -21.915 6.234 10.236 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.341 8.233 10.208 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.330 7.555 11.570 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.941 8.417 12.658 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.550 9.597 12.770 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.811 7.911 13.397 1.00 0.00 O ATOM 0 H GLU A 72 -19.842 9.200 7.992 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.730 6.525 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.316 8.316 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.723 9.248 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.877 6.614 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.303 7.309 11.841 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.444 8.294 9.507 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.825 8.223 9.968 1.00 0.00 C ATOM 1209 C ASN A 73 -24.652 7.253 9.124 1.00 0.00 C ATOM 1210 O ASN A 73 -25.469 6.499 9.652 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.462 9.613 9.933 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.313 10.351 11.248 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.103 9.740 12.296 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -24.422 11.674 11.201 1.00 0.00 N ATOM 0 H ASN A 73 -22.196 9.172 9.050 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.813 7.852 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.004 10.199 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.521 9.518 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.331 12.224 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.596 12.140 10.311 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.444 7.290 7.812 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.181 6.427 6.894 1.00 0.00 C ATOM 1223 C GLU A 74 -24.592 5.018 6.828 1.00 0.00 C ATOM 1224 O GLU A 74 -25.329 4.032 6.795 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.198 7.042 5.494 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.029 8.313 5.399 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.466 8.103 5.832 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.994 6.991 5.619 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -28.066 9.051 6.382 1.00 0.00 O ATOM 0 H GLU A 74 -23.771 7.909 7.360 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.199 6.344 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.175 7.263 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.588 6.309 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.576 9.086 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.012 8.678 4.372 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.267 4.927 6.785 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.595 3.632 6.693 1.00 0.00 C ATOM 1238 C LEU A 75 -22.221 3.080 8.067 1.00 0.00 C ATOM 1239 O LEU A 75 -22.223 1.867 8.274 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.340 3.753 5.826 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.582 4.276 4.408 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.269 4.681 3.758 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.294 3.227 3.569 1.00 0.00 C ATOM 0 H LEU A 75 -22.638 5.729 6.812 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.295 2.934 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.634 4.416 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.866 2.774 5.760 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.220 5.158 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.460 5.050 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.798 5.466 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.606 3.817 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.458 3.615 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.681 2.327 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -23.254 2.986 4.026 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.895 3.968 8.999 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.517 3.530 10.332 1.00 0.00 C ATOM 1257 C GLY A 76 -20.016 3.366 10.483 1.00 0.00 C ATOM 1258 O GLY A 76 -19.550 2.661 11.377 1.00 0.00 O ATOM 0 H GLY A 76 -21.885 4.978 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.876 4.253 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.007 2.582 10.553 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.258 4.019 9.605 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.802 3.942 9.645 1.00 0.00 C ATOM 1264 C ILE A 77 -17.217 5.074 10.484 1.00 0.00 C ATOM 1265 O ILE A 77 -17.358 6.248 10.144 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.196 4.004 8.228 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.868 2.976 7.315 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.694 3.769 8.281 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -18.028 3.450 5.887 1.00 0.00 C ATOM 0 H ILE A 77 -19.629 4.607 8.858 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.548 2.984 10.099 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.374 4.998 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.281 2.058 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.850 2.729 7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.283 3.816 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.227 4.536 8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.494 2.787 8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.511 2.671 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.641 4.351 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.047 3.669 5.464 1.00 0.00 H new ATOM 1281 N THR A 78 -16.561 4.713 11.581 1.00 0.00 N ATOM 1282 CA THR A 78 -15.955 5.698 12.469 1.00 0.00 C ATOM 1283 C THR A 78 -14.687 6.285 11.849 1.00 0.00 C ATOM 1284 O THR A 78 -13.874 5.556 11.280 1.00 0.00 O ATOM 1285 CB THR A 78 -15.629 5.064 13.822 1.00 0.00 C ATOM 1286 OG1 THR A 78 -14.858 5.948 14.617 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.860 3.765 13.704 1.00 0.00 C ATOM 0 H THR A 78 -16.435 3.745 11.877 1.00 0.00 H new ATOM 0 HA THR A 78 -16.672 6.505 12.618 1.00 0.00 H new ATOM 0 HB THR A 78 -16.594 4.856 14.284 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.661 5.525 15.479 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.661 3.368 14.700 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.449 3.044 13.137 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.916 3.946 13.191 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.498 7.614 11.948 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.320 8.286 11.390 1.00 0.00 C ATOM 1297 C PRO A 79 -12.014 7.693 11.907 1.00 0.00 C ATOM 1298 O PRO A 79 -11.914 7.308 13.072 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.470 9.735 11.863 1.00 0.00 C ATOM 1300 CG PRO A 79 -14.926 9.902 12.128 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.415 8.563 12.606 1.00 0.00 C ATOM 0 HA PRO A 79 -13.273 8.182 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.881 9.921 12.761 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.123 10.436 11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.100 10.672 12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.454 10.211 11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.368 8.481 13.692 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.451 8.387 12.318 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.015 7.624 11.034 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.713 7.078 11.402 1.00 0.00 C ATOM 1311 C VAL A 80 -8.631 8.155 11.367 1.00 0.00 C ATOM 1312 O VAL A 80 -7.629 8.062 12.076 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.301 5.927 10.466 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.054 5.233 10.990 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.443 4.934 10.304 1.00 0.00 C ATOM 0 H VAL A 80 -11.082 7.939 10.066 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.809 6.696 12.418 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.072 6.346 9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.778 4.422 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.236 5.951 11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.253 4.828 11.982 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.133 4.128 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.706 4.520 11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.309 5.442 9.879 1.00 0.00 H new ATOM 1325 N VAL A 81 -8.841 9.176 10.542 1.00 0.00 N ATOM 1326 CA VAL A 81 -7.884 10.269 10.420 1.00 0.00 C ATOM 1327 C VAL A 81 -8.599 11.615 10.352 1.00 0.00 C ATOM 1328 O VAL A 81 -9.782 11.683 10.022 1.00 0.00 O ATOM 1329 CB VAL A 81 -6.997 10.099 9.168 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -7.847 10.090 7.905 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -5.943 11.195 9.103 1.00 0.00 C ATOM 0 H VAL A 81 -9.665 9.269 9.948 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.251 10.243 11.307 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.485 9.140 9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.203 9.969 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.556 9.263 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.391 11.031 7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.329 11.057 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.432 12.168 9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.312 11.146 9.991 1.00 0.00 H new ATOM 1341 N SER A 82 -7.875 12.685 10.669 1.00 0.00 N ATOM 1342 CA SER A 82 -8.444 14.027 10.644 1.00 0.00 C ATOM 1343 C SER A 82 -8.593 14.531 9.211 1.00 0.00 C ATOM 1344 O SER A 82 -7.873 14.098 8.312 1.00 0.00 O ATOM 1345 CB SER A 82 -7.569 14.989 11.446 1.00 0.00 C ATOM 1346 OG SER A 82 -8.337 16.055 11.979 1.00 0.00 O ATOM 0 H SER A 82 -6.894 12.648 10.946 1.00 0.00 H new ATOM 0 HA SER A 82 -9.434 13.982 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.079 14.450 12.256 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.782 15.388 10.807 1.00 0.00 H new ATOM 0 HG SER A 82 -7.754 16.655 12.489 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.533 15.449 9.008 1.00 0.00 N ATOM 1353 CA ALA A 83 -9.778 16.012 7.686 1.00 0.00 C ATOM 1354 C ALA A 83 -8.575 16.814 7.198 1.00 0.00 C ATOM 1355 O ALA A 83 -8.175 16.707 6.040 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.022 16.887 7.710 1.00 0.00 C ATOM 0 H ALA A 83 -10.137 15.818 9.742 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.938 15.188 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.194 17.302 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.883 16.288 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.882 17.699 8.423 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.005 17.618 8.087 1.00 0.00 N ATOM 1363 CA GLN A 84 -6.849 18.440 7.743 1.00 0.00 C ATOM 1364 C GLN A 84 -5.673 17.573 7.306 1.00 0.00 C ATOM 1365 O GLN A 84 -4.919 17.940 6.403 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.443 19.308 8.935 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.529 20.269 9.386 1.00 0.00 C ATOM 1368 CD GLN A 84 -7.227 21.709 9.014 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -7.459 22.130 7.881 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -6.706 22.470 9.969 1.00 0.00 N ATOM 0 H GLN A 84 -8.323 17.719 9.051 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.129 19.085 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.173 18.661 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.552 19.878 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.478 19.974 8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.649 20.195 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.530 22.078 10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.481 23.446 9.777 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.517 16.422 7.953 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.428 15.506 7.634 1.00 0.00 C ATOM 1381 C ALA A 85 -4.613 14.878 6.256 1.00 0.00 C ATOM 1382 O ALA A 85 -3.675 14.816 5.462 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.323 14.424 8.697 1.00 0.00 C ATOM 0 H ALA A 85 -6.131 16.102 8.702 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.502 16.080 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.506 13.747 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.130 14.884 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.258 13.865 8.741 1.00 0.00 H new ATOM 1389 N VAL A 86 -5.825 14.408 5.978 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.123 13.778 4.697 1.00 0.00 C ATOM 1391 C VAL A 86 -6.133 14.800 3.562 1.00 0.00 C ATOM 1392 O VAL A 86 -5.570 14.558 2.495 1.00 0.00 O ATOM 1393 CB VAL A 86 -7.475 13.036 4.733 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.611 13.999 5.045 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -7.727 12.307 3.419 1.00 0.00 C ATOM 0 H VAL A 86 -6.615 14.451 6.621 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.330 13.053 4.512 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.433 12.293 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.555 13.454 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.439 14.462 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.655 14.771 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.686 11.791 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.743 13.027 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.932 11.581 3.248 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.774 15.941 3.796 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.849 16.992 2.785 1.00 0.00 C ATOM 1407 C VAL A 87 -5.459 17.520 2.445 1.00 0.00 C ATOM 1408 O VAL A 87 -5.164 17.822 1.289 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.735 18.164 3.251 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.858 19.215 2.155 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.108 17.665 3.675 1.00 0.00 C ATOM 0 H VAL A 87 -7.247 16.162 4.672 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.296 16.547 1.896 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.260 18.628 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.487 20.033 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.869 19.599 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.306 18.766 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.717 18.508 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.592 17.171 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.000 16.957 4.497 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.609 17.630 3.461 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.250 18.124 3.269 1.00 0.00 C ATOM 1423 C ALA A 88 -2.308 17.009 2.820 1.00 0.00 C ATOM 1424 O ALA A 88 -1.191 17.274 2.376 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.739 18.763 4.552 1.00 0.00 C ATOM 0 H ALA A 88 -4.837 17.384 4.424 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.274 18.876 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.724 19.128 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.386 19.596 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.740 18.023 5.353 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.759 15.763 2.938 1.00 0.00 N ATOM 1432 CA GLY A 89 -1.937 14.637 2.537 1.00 0.00 C ATOM 1433 C GLY A 89 -0.688 14.499 3.387 1.00 0.00 C ATOM 1434 O GLY A 89 0.348 14.040 2.908 1.00 0.00 O ATOM 0 H GLY A 89 -3.678 15.514 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.523 13.720 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.650 14.754 1.492 1.00 0.00 H new ATOM 1438 N SER A 90 -0.788 14.896 4.651 1.00 0.00 N ATOM 1439 CA SER A 90 0.343 14.813 5.569 1.00 0.00 C ATOM 1440 C SER A 90 0.160 13.661 6.553 1.00 0.00 C ATOM 1441 O SER A 90 0.622 13.729 7.693 1.00 0.00 O ATOM 1442 CB SER A 90 0.506 16.129 6.329 1.00 0.00 C ATOM 1443 OG SER A 90 -0.730 16.812 6.440 1.00 0.00 O ATOM 0 H SER A 90 -1.639 15.278 5.063 1.00 0.00 H new ATOM 0 HA SER A 90 1.243 14.627 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.906 15.931 7.324 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.230 16.762 5.815 1.00 0.00 H new ATOM 0 HG SER A 90 -0.598 17.649 6.932 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.514 12.608 6.107 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.756 11.442 6.949 1.00 0.00 C ATOM 1451 C ASP A 91 -1.126 10.226 6.103 1.00 0.00 C ATOM 1452 O ASP A 91 -2.296 9.852 6.015 1.00 0.00 O ATOM 1453 CB ASP A 91 -1.867 11.736 7.959 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.593 11.120 9.318 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.826 9.904 9.476 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -1.144 11.854 10.223 1.00 0.00 O ATOM 0 H ASP A 91 -0.903 12.537 5.167 1.00 0.00 H new ATOM 0 HA ASP A 91 0.164 11.218 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.978 12.815 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.813 11.355 7.575 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.129 9.590 5.465 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.354 8.410 4.622 1.00 0.00 C ATOM 1463 C PRO A 92 -0.929 7.240 5.410 1.00 0.00 C ATOM 1464 O PRO A 92 -1.784 6.505 4.915 1.00 0.00 O ATOM 1465 CB PRO A 92 1.043 8.065 4.093 1.00 0.00 C ATOM 1466 CG PRO A 92 1.990 8.725 5.037 1.00 0.00 C ATOM 1467 CD PRO A 92 1.294 9.967 5.515 1.00 0.00 C ATOM 0 HA PRO A 92 -1.080 8.610 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.200 6.987 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.181 8.431 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.232 8.067 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.929 8.970 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.604 10.240 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.508 10.822 4.873 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.460 7.072 6.643 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.930 5.991 7.501 1.00 0.00 C ATOM 1477 C LEU A 93 -2.439 6.079 7.707 1.00 0.00 C ATOM 1478 O LEU A 93 -3.133 5.063 7.734 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.215 6.037 8.853 1.00 0.00 C ATOM 1480 CG LEU A 93 1.118 5.287 8.907 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.221 6.112 8.262 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.476 4.944 10.345 1.00 0.00 C ATOM 0 H LEU A 93 0.246 7.672 7.070 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.702 5.045 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.039 7.079 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.879 5.623 9.612 1.00 0.00 H new ATOM 0 HG LEU A 93 1.015 4.357 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.161 5.563 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.967 6.307 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.326 7.058 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.427 4.411 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.561 5.861 10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.697 4.314 10.773 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.939 7.302 7.850 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.361 7.503 8.052 1.00 0.00 C ATOM 1496 C GLY A 94 -5.166 7.257 6.792 1.00 0.00 C ATOM 1497 O GLY A 94 -6.261 6.698 6.846 1.00 0.00 O ATOM 0 H GLY A 94 -2.384 8.158 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.711 6.835 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.535 8.522 8.398 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.624 7.678 5.653 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.303 7.502 4.375 1.00 0.00 C ATOM 1503 C LEU A 95 -5.549 6.023 4.087 1.00 0.00 C ATOM 1504 O LEU A 95 -6.630 5.640 3.639 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.475 8.123 3.246 1.00 0.00 C ATOM 1506 CG LEU A 95 -4.883 9.543 2.848 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -6.300 9.554 2.296 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.763 10.487 4.037 1.00 0.00 C ATOM 0 H LEU A 95 -3.718 8.143 5.590 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.267 8.007 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.428 8.134 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.547 7.481 2.368 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.207 9.890 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.574 10.572 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.353 8.911 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.990 9.187 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.057 11.492 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.415 10.144 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.731 10.501 4.388 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.542 5.196 4.352 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.654 3.761 4.124 1.00 0.00 C ATOM 1522 C ILE A 96 -5.652 3.131 5.091 1.00 0.00 C ATOM 1523 O ILE A 96 -6.446 2.273 4.708 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.290 3.059 4.275 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.248 3.725 3.372 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.411 1.579 3.945 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.847 3.189 3.571 1.00 0.00 C ATOM 0 H ILE A 96 -3.641 5.495 4.724 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.008 3.627 3.102 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.965 3.154 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.538 3.584 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.248 4.799 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.438 1.100 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.125 1.112 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.756 1.462 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.161 3.705 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.538 3.354 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.832 2.121 3.354 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.604 3.564 6.347 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.501 3.042 7.370 1.00 0.00 C ATOM 1541 C ALA A 97 -7.960 3.269 6.987 1.00 0.00 C ATOM 1542 O ALA A 97 -8.810 2.403 7.200 1.00 0.00 O ATOM 1543 CB ALA A 97 -6.200 3.687 8.714 1.00 0.00 C ATOM 0 H ALA A 97 -4.953 4.275 6.680 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.336 1.968 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.877 3.288 9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.171 3.470 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.336 4.766 8.638 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.245 4.438 6.424 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.602 4.779 6.013 1.00 0.00 C ATOM 1551 C TYR A 98 -10.059 3.891 4.860 1.00 0.00 C ATOM 1552 O TYR A 98 -11.169 3.359 4.876 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.678 6.250 5.600 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.028 6.883 5.852 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.503 7.058 7.146 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.826 7.306 4.797 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.736 7.637 7.380 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -13.061 7.886 5.023 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.511 8.049 6.316 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.738 8.627 6.545 1.00 0.00 O ATOM 0 H TYR A 98 -7.554 5.166 6.242 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.265 4.613 6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.917 6.810 6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.440 6.333 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.899 6.737 7.982 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.476 7.180 3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.091 7.766 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.669 8.209 4.191 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.154 8.861 5.689 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.196 3.736 3.860 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.510 2.913 2.698 1.00 0.00 C ATOM 1572 C LEU A 99 -9.822 1.478 3.115 1.00 0.00 C ATOM 1573 O LEU A 99 -10.714 0.839 2.558 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.343 2.928 1.708 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.505 3.894 0.532 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.303 5.330 0.991 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -7.528 3.545 -0.581 1.00 0.00 C ATOM 0 H LEU A 99 -8.273 4.170 3.832 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.393 3.331 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.432 3.186 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.207 1.921 1.315 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.518 3.798 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.422 6.003 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.041 5.575 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.301 5.442 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.656 4.242 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.508 3.614 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.719 2.529 -0.928 1.00 0.00 H new ATOM 1589 N SER A 100 -9.080 0.978 4.098 1.00 0.00 N ATOM 1590 CA SER A 100 -9.277 -0.381 4.588 1.00 0.00 C ATOM 1591 C SER A 100 -10.690 -0.567 5.132 1.00 0.00 C ATOM 1592 O SER A 100 -11.355 -1.558 4.836 1.00 0.00 O ATOM 1593 CB SER A 100 -8.254 -0.706 5.678 1.00 0.00 C ATOM 1594 OG SER A 100 -6.930 -0.602 5.182 1.00 0.00 O ATOM 0 H SER A 100 -8.337 1.493 4.570 1.00 0.00 H new ATOM 0 HA SER A 100 -9.137 -1.064 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.385 -0.025 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.427 -1.714 6.054 1.00 0.00 H new ATOM 0 HG SER A 100 -6.714 0.340 5.021 1.00 0.00 H new ATOM 1600 N HIS A 101 -11.143 0.396 5.929 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.477 0.339 6.514 1.00 0.00 C ATOM 1602 C HIS A 101 -13.551 0.414 5.432 1.00 0.00 C ATOM 1603 O HIS A 101 -14.527 -0.336 5.460 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.665 1.477 7.518 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.511 1.047 8.946 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.898 -0.194 9.404 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.006 1.701 10.018 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.640 -0.284 10.695 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -12.098 0.851 11.093 1.00 0.00 N ATOM 0 H HIS A 101 -10.606 1.225 6.184 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.578 -0.614 7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.941 2.263 7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.656 1.910 7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.605 2.704 10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.839 -1.142 11.320 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.796 1.063 12.044 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.364 1.323 4.482 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.317 1.495 3.391 1.00 0.00 C ATOM 1620 C PHE A 102 -14.312 0.279 2.469 1.00 0.00 C ATOM 1621 O PHE A 102 -15.366 -0.180 2.025 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.991 2.761 2.595 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.908 3.911 2.895 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -16.081 4.084 2.177 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.599 4.818 3.896 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.928 5.141 2.451 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -15.443 5.877 4.174 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.609 6.038 3.450 1.00 0.00 C ATOM 0 H PHE A 102 -12.562 1.952 4.445 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.313 1.595 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.965 3.060 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.042 2.534 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.336 3.385 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.689 4.696 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.839 5.265 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -15.191 6.578 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.270 6.865 3.666 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.122 -0.238 2.184 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.983 -1.400 1.313 1.00 0.00 C ATOM 1640 C HIS A 103 -13.603 -2.638 1.952 1.00 0.00 C ATOM 1641 O HIS A 103 -14.270 -3.426 1.281 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.506 -1.658 1.005 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.280 -2.354 -0.301 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.731 -3.631 -0.561 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -10.647 -1.944 -1.425 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -11.384 -3.977 -1.787 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.726 -2.971 -2.334 1.00 0.00 N ATOM 0 H HIS A 103 -12.240 0.128 2.543 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.511 -1.190 0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.973 -0.707 0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.076 -2.258 1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.169 -0.988 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.601 -4.922 -2.262 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.339 -2.959 -3.278 1.00 0.00 H new ATOM 1656 N SER A 104 -13.381 -2.803 3.252 1.00 0.00 N ATOM 1657 CA SER A 104 -13.920 -3.946 3.980 1.00 0.00 C ATOM 1658 C SER A 104 -15.443 -3.967 3.913 1.00 0.00 C ATOM 1659 O SER A 104 -16.050 -5.016 3.696 1.00 0.00 O ATOM 1660 CB SER A 104 -13.462 -3.908 5.440 1.00 0.00 C ATOM 1661 OG SER A 104 -14.156 -2.909 6.167 1.00 0.00 O ATOM 0 H SER A 104 -12.832 -2.160 3.823 1.00 0.00 H new ATOM 0 HA SER A 104 -13.543 -4.854 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.629 -4.881 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.390 -3.715 5.483 1.00 0.00 H new ATOM 0 HG SER A 104 -14.144 -2.069 5.662 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.055 -2.803 4.101 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.508 -2.689 4.062 1.00 0.00 C ATOM 1669 C ALA A 105 -18.024 -2.731 2.628 1.00 0.00 C ATOM 1670 O ALA A 105 -19.022 -3.390 2.337 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.955 -1.406 4.747 1.00 0.00 C ATOM 0 H ALA A 105 -15.568 -1.925 4.282 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.929 -3.540 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.042 -1.334 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.627 -1.415 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.517 -0.549 4.236 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.337 -2.026 1.736 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.725 -1.982 0.331 1.00 0.00 C ATOM 1679 C PHE A 106 -17.569 -3.353 -0.320 1.00 0.00 C ATOM 1680 O PHE A 106 -18.313 -3.703 -1.236 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.881 -0.949 -0.418 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.407 0.456 -0.310 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.998 0.904 0.862 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.308 1.327 -1.380 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.480 2.195 0.961 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.788 2.619 -1.288 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.375 3.054 -0.115 1.00 0.00 C ATOM 0 H PHE A 106 -16.508 -1.477 1.961 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.775 -1.693 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.862 -0.977 -0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.831 -1.229 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -18.082 0.236 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.850 0.993 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.938 2.532 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.705 3.288 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.751 4.064 -0.040 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.598 -4.124 0.159 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.346 -5.456 -0.377 1.00 0.00 C ATOM 1699 C LYS A 107 -17.528 -6.382 -0.114 1.00 0.00 C ATOM 1700 O LYS A 107 -18.005 -7.070 -1.016 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.075 -6.043 0.238 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.706 -7.410 -0.315 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.392 -7.911 0.261 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.640 -8.775 -0.737 1.00 0.00 C ATOM 1705 NZ LYS A 107 -12.930 -10.225 -0.547 1.00 0.00 N ATOM 0 H LYS A 107 -15.973 -3.849 0.917 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.212 -5.367 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.247 -5.355 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.206 -6.120 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.499 -8.122 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.630 -7.355 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.772 -7.062 0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.586 -8.485 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.913 -8.480 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.569 -8.602 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.398 -10.780 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.646 -10.513 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.948 -10.395 -0.672 1.00 0.00 H new