USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= -1.17 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 106 THR OG1 : rot -72:sc= 0.0319 USER MOD Set 2.1: A 56 GLN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 83 MET CE :methyl 163:sc= -2.88 (180deg=-2.71!) USER MOD Set 3.2: A 111 SER OG : rot 58:sc= -0.0145 USER MOD Set 4.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 71 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-3.4!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00124) USER MOD Single : A 24 THR OG1 : rot 70:sc= 1.3 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.075 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.53 F(o=-3.1!,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00663 USER MOD Single : A 49 CYS SG : rot 172:sc= -0.606 USER MOD Single : A 50 THR OG1 : rot -5:sc= 0.478 USER MOD Single : A 52 MET CE :methyl 162:sc= -0.1 (180deg=-0.238) USER MOD Single : A 53 ASN : amide:sc= -1.43 X(o=-1.4,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -76:sc= -0.325 USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.921 (180deg=-1.76!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.857 F(o=-1.4!,f=-0.86) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.81! C(o=-2.5!,f=-1.8!) USER MOD Single : A 69 ASN : amide:sc= -0.391 K(o=-0.39,f=-4.5!) USER MOD Single : A 72 GLN : amide:sc= -2.07 X(o=-2.1,f=-2.3) USER MOD Single : A 75 ASN : amide:sc= 0.443 K(o=0.44,f=-6.6!) USER MOD Single : A 77 SER OG : rot 63:sc= -0.232 USER MOD Single : A 78 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -100:sc= -0.917 USER MOD Single : A 88 MET CE :methyl -107:sc= -1.37 (180deg=-4.25!) USER MOD Single : A 89 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.3!) USER MOD Single : A 97 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.9!) USER MOD Single : A 102 SER OG : rot -8:sc= 0.25 USER MOD Single : A 105 MET CE :methyl 161:sc= -2.47 (180deg=-4.61!) USER MOD Single : A 107 GLN : amide:sc= -1.02 X(o=-1,f=-0.6) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 118 LYS NZ :NH3+ -163:sc= -0.0194 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.331 -11.868 8.841 1.00 0.00 N ATOM 197 CA ASP A 15 6.471 -12.777 8.841 1.00 0.00 C ATOM 198 C ASP A 15 7.774 -12.014 9.056 1.00 0.00 C ATOM 199 O ASP A 15 7.984 -10.930 8.512 1.00 0.00 O ATOM 200 CB ASP A 15 6.531 -13.554 7.525 1.00 0.00 C ATOM 201 CG ASP A 15 7.163 -14.922 7.689 1.00 0.00 C ATOM 202 OD1 ASP A 15 6.503 -15.816 8.257 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.319 -15.098 7.248 1.00 0.00 O ATOM 0 HA ASP A 15 6.343 -13.481 9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.523 -13.668 7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.099 -12.980 6.793 1.00 0.00 H new ATOM 208 N PRO A 16 8.671 -12.592 9.869 1.00 0.00 N ATOM 209 CA PRO A 16 9.969 -11.984 10.174 1.00 0.00 C ATOM 210 C PRO A 16 10.908 -11.987 8.974 1.00 0.00 C ATOM 211 O PRO A 16 11.905 -11.264 8.952 1.00 0.00 O ATOM 212 CB PRO A 16 10.523 -12.873 11.290 1.00 0.00 C ATOM 213 CG PRO A 16 9.857 -14.190 11.091 1.00 0.00 C ATOM 214 CD PRO A 16 8.488 -13.884 10.551 1.00 0.00 C ATOM 0 HA PRO A 16 9.872 -10.935 10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.607 -12.963 11.223 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.298 -12.460 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.421 -14.811 10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.792 -14.740 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.146 -14.657 9.863 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.748 -13.816 11.348 1.00 0.00 H new ATOM 222 N GLN A 17 10.585 -12.805 7.977 1.00 0.00 N ATOM 223 CA GLN A 17 11.400 -12.902 6.773 1.00 0.00 C ATOM 224 C GLN A 17 10.797 -12.081 5.638 1.00 0.00 C ATOM 225 O GLN A 17 11.515 -11.539 4.798 1.00 0.00 O ATOM 226 CB GLN A 17 11.540 -14.362 6.342 1.00 0.00 C ATOM 227 CG GLN A 17 12.648 -15.108 7.069 1.00 0.00 C ATOM 228 CD GLN A 17 12.792 -16.542 6.600 1.00 0.00 C ATOM 229 OE1 GLN A 17 12.235 -17.463 7.200 1.00 0.00 O ATOM 230 NE2 GLN A 17 13.541 -16.740 5.522 1.00 0.00 N ATOM 0 H GLN A 17 9.764 -13.410 7.980 1.00 0.00 H new ATOM 0 HA GLN A 17 12.388 -12.501 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.594 -14.875 6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.732 -14.399 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.592 -14.584 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.445 -15.099 8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.984 -15.948 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.674 -17.684 5.160 1.00 0.00 H new ATOM 239 N LYS A 18 9.472 -11.991 5.619 1.00 0.00 N ATOM 240 CA LYS A 18 8.769 -11.235 4.589 1.00 0.00 C ATOM 241 C LYS A 18 9.047 -9.741 4.726 1.00 0.00 C ATOM 242 O LYS A 18 9.336 -9.063 3.741 1.00 0.00 O ATOM 243 CB LYS A 18 7.264 -11.494 4.674 1.00 0.00 C ATOM 244 CG LYS A 18 6.881 -12.943 4.424 1.00 0.00 C ATOM 245 CD LYS A 18 6.784 -13.245 2.938 1.00 0.00 C ATOM 246 CE LYS A 18 8.064 -13.877 2.413 1.00 0.00 C ATOM 247 NZ LYS A 18 8.166 -15.315 2.787 1.00 0.00 N ATOM 0 H LYS A 18 8.862 -12.433 6.307 1.00 0.00 H new ATOM 0 HA LYS A 18 9.134 -11.568 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.908 -11.198 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.753 -10.861 3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.620 -13.600 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.925 -13.156 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.944 -13.916 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.581 -12.324 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.098 -13.781 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.924 -13.337 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.152 -15.630 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.858 -15.440 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.559 -15.881 2.160 1.00 0.00 H new ATOM 261 N GLU A 19 8.959 -9.237 5.952 1.00 0.00 N ATOM 262 CA GLU A 19 9.202 -7.824 6.216 1.00 0.00 C ATOM 263 C GLU A 19 10.347 -7.299 5.355 1.00 0.00 C ATOM 264 O GLU A 19 10.281 -6.190 4.826 1.00 0.00 O ATOM 265 CB GLU A 19 9.521 -7.605 7.696 1.00 0.00 C ATOM 266 CG GLU A 19 9.846 -6.163 8.042 1.00 0.00 C ATOM 267 CD GLU A 19 9.736 -5.880 9.529 1.00 0.00 C ATOM 268 OE1 GLU A 19 8.614 -5.604 9.999 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.775 -5.935 10.221 1.00 0.00 O ATOM 0 H GLU A 19 8.721 -9.786 6.778 1.00 0.00 H new ATOM 0 HA GLU A 19 8.296 -7.273 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.670 -7.930 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.366 -8.236 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.857 -5.932 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.170 -5.502 7.499 1.00 0.00 H new ATOM 276 N ALA A 20 11.396 -8.104 5.221 1.00 0.00 N ATOM 277 CA ALA A 20 12.555 -7.722 4.424 1.00 0.00 C ATOM 278 C ALA A 20 12.229 -7.746 2.935 1.00 0.00 C ATOM 279 O ALA A 20 12.668 -6.878 2.181 1.00 0.00 O ATOM 280 CB ALA A 20 13.728 -8.643 4.724 1.00 0.00 C ATOM 0 H ALA A 20 11.467 -9.025 5.654 1.00 0.00 H new ATOM 0 HA ALA A 20 12.830 -6.702 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.587 -8.346 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.984 -8.573 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.454 -9.671 4.484 1.00 0.00 H new ATOM 286 N GLU A 21 11.458 -8.746 2.519 1.00 0.00 N ATOM 287 CA GLU A 21 11.075 -8.882 1.118 1.00 0.00 C ATOM 288 C GLU A 21 10.344 -7.635 0.629 1.00 0.00 C ATOM 289 O GLU A 21 10.621 -7.124 -0.456 1.00 0.00 O ATOM 290 CB GLU A 21 10.189 -10.114 0.926 1.00 0.00 C ATOM 291 CG GLU A 21 10.875 -11.420 1.290 1.00 0.00 C ATOM 292 CD GLU A 21 10.364 -12.594 0.478 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.256 -12.485 -0.087 1.00 0.00 O ATOM 294 OE2 GLU A 21 11.071 -13.621 0.409 1.00 0.00 O ATOM 0 H GLU A 21 11.087 -9.473 3.131 1.00 0.00 H new ATOM 0 HA GLU A 21 11.985 -9.002 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.291 -10.003 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.866 -10.160 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.949 -11.317 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.723 -11.623 2.350 1.00 0.00 H new ATOM 301 N LEU A 22 9.409 -7.150 1.439 1.00 0.00 N ATOM 302 CA LEU A 22 8.636 -5.962 1.091 1.00 0.00 C ATOM 303 C LEU A 22 9.548 -4.755 0.904 1.00 0.00 C ATOM 304 O LEU A 22 9.677 -4.226 -0.201 1.00 0.00 O ATOM 305 CB LEU A 22 7.598 -5.669 2.175 1.00 0.00 C ATOM 306 CG LEU A 22 6.534 -6.744 2.394 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.695 -6.424 3.621 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.649 -6.878 1.161 1.00 0.00 C ATOM 0 H LEU A 22 9.168 -7.561 2.341 1.00 0.00 H new ATOM 0 HA LEU A 22 8.123 -6.156 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.122 -5.508 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.096 -4.734 1.925 1.00 0.00 H new ATOM 0 HG LEU A 22 7.037 -7.696 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.943 -7.201 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.338 -6.380 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.202 -5.462 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.897 -7.648 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.155 -5.927 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.261 -7.155 0.303 1.00 0.00 H new ATOM 320 N ARG A 23 10.180 -4.323 1.990 1.00 0.00 N ATOM 321 CA ARG A 23 11.083 -3.179 1.945 1.00 0.00 C ATOM 322 C ARG A 23 12.056 -3.298 0.776 1.00 0.00 C ATOM 323 O ARG A 23 12.365 -2.311 0.108 1.00 0.00 O ATOM 324 CB ARG A 23 11.858 -3.062 3.259 1.00 0.00 C ATOM 325 CG ARG A 23 12.703 -4.285 3.578 1.00 0.00 C ATOM 326 CD ARG A 23 13.632 -4.029 4.754 1.00 0.00 C ATOM 327 NE ARG A 23 14.689 -5.033 4.846 1.00 0.00 N ATOM 328 CZ ARG A 23 15.845 -4.830 5.468 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.091 -3.665 6.051 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.756 -5.794 5.509 1.00 0.00 N ATOM 0 H ARG A 23 10.083 -4.748 2.912 1.00 0.00 H new ATOM 0 HA ARG A 23 10.483 -2.280 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.505 -2.186 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.153 -2.895 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.052 -5.129 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.290 -4.561 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.079 -3.040 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.054 -4.025 5.678 1.00 0.00 H new ATOM 0 HE ARG A 23 14.531 -5.941 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.392 -2.923 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.979 -3.511 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.569 -6.692 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.643 -5.637 5.987 1.00 0.00 H new ATOM 344 N THR A 24 12.535 -4.513 0.534 1.00 0.00 N ATOM 345 CA THR A 24 13.474 -4.762 -0.552 1.00 0.00 C ATOM 346 C THR A 24 12.784 -4.662 -1.909 1.00 0.00 C ATOM 347 O THR A 24 13.417 -4.342 -2.914 1.00 0.00 O ATOM 348 CB THR A 24 14.128 -6.151 -0.424 1.00 0.00 C ATOM 349 OG1 THR A 24 14.773 -6.272 0.850 1.00 0.00 O ATOM 350 CG2 THR A 24 15.143 -6.376 -1.535 1.00 0.00 C ATOM 0 H THR A 24 12.288 -5.341 1.076 1.00 0.00 H new ATOM 0 HA THR A 24 14.247 -3.997 -0.482 1.00 0.00 H new ATOM 0 HB THR A 24 13.347 -6.906 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.096 -6.318 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.591 -7.363 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.644 -6.311 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.921 -5.615 -1.476 1.00 0.00 H new ATOM 358 N TRP A 25 11.486 -4.938 -1.928 1.00 0.00 N ATOM 359 CA TRP A 25 10.710 -4.878 -3.162 1.00 0.00 C ATOM 360 C TRP A 25 10.199 -3.464 -3.416 1.00 0.00 C ATOM 361 O TRP A 25 9.957 -3.077 -4.559 1.00 0.00 O ATOM 362 CB TRP A 25 9.535 -5.854 -3.098 1.00 0.00 C ATOM 363 CG TRP A 25 8.419 -5.503 -4.034 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.425 -5.616 -5.396 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.134 -4.980 -3.679 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.222 -5.195 -5.907 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.412 -4.801 -4.875 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.523 -4.649 -2.466 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.111 -4.303 -4.892 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.232 -4.155 -2.485 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.538 -3.987 -3.691 1.00 0.00 C ATOM 0 H TRP A 25 10.948 -5.206 -1.104 1.00 0.00 H new ATOM 0 HA TRP A 25 11.364 -5.161 -3.987 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.892 -6.857 -3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.150 -5.881 -2.079 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.254 -5.982 -5.984 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.972 -5.178 -6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.050 -4.777 -1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.574 -4.171 -5.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.750 -3.894 -1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.530 -3.600 -3.672 1.00 0.00 H new ATOM 382 N ILE A 26 10.037 -2.697 -2.343 1.00 0.00 N ATOM 383 CA ILE A 26 9.555 -1.326 -2.451 1.00 0.00 C ATOM 384 C ILE A 26 10.711 -0.352 -2.654 1.00 0.00 C ATOM 385 O ILE A 26 10.624 0.567 -3.468 1.00 0.00 O ATOM 386 CB ILE A 26 8.761 -0.907 -1.199 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.651 -1.921 -0.911 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.179 0.487 -1.383 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.015 -1.750 0.451 1.00 0.00 C ATOM 0 H ILE A 26 10.232 -3.002 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 26 8.895 -1.291 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 26 9.439 -0.886 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.880 -1.831 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.061 -2.928 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.621 0.769 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.987 1.200 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.512 0.492 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.238 -2.502 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.774 -1.869 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.575 -0.756 0.525 1.00 0.00 H new ATOM 401 N GLU A 27 11.792 -0.562 -1.910 1.00 0.00 N ATOM 402 CA GLU A 27 12.966 0.298 -2.009 1.00 0.00 C ATOM 403 C GLU A 27 13.449 0.393 -3.454 1.00 0.00 C ATOM 404 O GLU A 27 13.918 1.442 -3.895 1.00 0.00 O ATOM 405 CB GLU A 27 14.091 -0.232 -1.119 1.00 0.00 C ATOM 406 CG GLU A 27 13.856 0.004 0.364 1.00 0.00 C ATOM 407 CD GLU A 27 14.367 1.354 0.828 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.597 1.566 0.799 1.00 0.00 O ATOM 409 OE2 GLU A 27 13.536 2.199 1.221 1.00 0.00 O ATOM 0 H GLU A 27 11.880 -1.319 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 27 12.684 1.295 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.208 -1.301 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.028 0.243 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.789 -0.069 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.348 -0.783 0.936 1.00 0.00 H new ATOM 416 N GLY A 28 13.330 -0.711 -4.186 1.00 0.00 N ATOM 417 CA GLY A 28 13.760 -0.731 -5.572 1.00 0.00 C ATOM 418 C GLY A 28 12.747 -0.092 -6.502 1.00 0.00 C ATOM 419 O GLY A 28 13.116 0.546 -7.490 1.00 0.00 O ATOM 0 H GLY A 28 12.944 -1.591 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.712 -0.208 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.933 -1.762 -5.881 1.00 0.00 H new ATOM 423 N LEU A 29 11.468 -0.265 -6.189 1.00 0.00 N ATOM 424 CA LEU A 29 10.397 0.299 -7.005 1.00 0.00 C ATOM 425 C LEU A 29 10.488 1.821 -7.045 1.00 0.00 C ATOM 426 O LEU A 29 10.680 2.414 -8.108 1.00 0.00 O ATOM 427 CB LEU A 29 9.034 -0.128 -6.459 1.00 0.00 C ATOM 428 CG LEU A 29 8.456 -1.422 -7.033 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.423 -2.013 -6.085 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.843 -1.170 -8.403 1.00 0.00 C ATOM 0 H LEU A 29 11.146 -0.791 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 29 10.509 -0.080 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.117 -0.239 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.323 0.677 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 29 9.267 -2.141 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.023 -2.933 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.892 -2.231 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.613 -1.299 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.436 -2.102 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.044 -0.434 -8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.609 -0.793 -9.081 1.00 0.00 H new ATOM 442 N THR A 30 10.351 2.448 -5.882 1.00 0.00 N ATOM 443 CA THR A 30 10.418 3.901 -5.784 1.00 0.00 C ATOM 444 C THR A 30 11.863 4.386 -5.794 1.00 0.00 C ATOM 445 O THR A 30 12.156 5.485 -6.265 1.00 0.00 O ATOM 446 CB THR A 30 9.726 4.411 -4.506 1.00 0.00 C ATOM 447 OG1 THR A 30 10.536 4.121 -3.361 1.00 0.00 O ATOM 448 CG2 THR A 30 8.356 3.770 -4.341 1.00 0.00 C ATOM 0 H THR A 30 10.193 1.972 -4.994 1.00 0.00 H new ATOM 0 HA THR A 30 9.897 4.301 -6.654 1.00 0.00 H new ATOM 0 HB THR A 30 9.597 5.490 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.104 3.425 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.886 4.145 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.733 4.017 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.467 2.688 -4.272 1.00 0.00 H new ATOM 456 N GLY A 31 12.764 3.559 -5.272 1.00 0.00 N ATOM 457 CA GLY A 31 14.169 3.923 -5.231 1.00 0.00 C ATOM 458 C GLY A 31 14.504 4.809 -4.048 1.00 0.00 C ATOM 459 O GLY A 31 15.544 5.469 -4.033 1.00 0.00 O ATOM 0 H GLY A 31 12.546 2.644 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.774 3.018 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.435 4.439 -6.154 1.00 0.00 H new ATOM 463 N LEU A 32 13.622 4.827 -3.056 1.00 0.00 N ATOM 464 CA LEU A 32 13.828 5.641 -1.862 1.00 0.00 C ATOM 465 C LEU A 32 14.359 4.794 -0.711 1.00 0.00 C ATOM 466 O LEU A 32 14.628 3.604 -0.875 1.00 0.00 O ATOM 467 CB LEU A 32 12.521 6.320 -1.451 1.00 0.00 C ATOM 468 CG LEU A 32 11.924 7.297 -2.465 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.484 7.628 -2.104 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.762 8.566 -2.540 1.00 0.00 C ATOM 0 H LEU A 32 12.756 4.287 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 32 14.568 6.406 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.782 5.546 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.691 6.856 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 32 11.931 6.822 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.076 8.324 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.890 6.714 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.452 8.083 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.323 9.250 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.787 9.044 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.777 8.314 -2.847 1.00 0.00 H new ATOM 482 N SER A 33 14.505 5.415 0.455 1.00 0.00 N ATOM 483 CA SER A 33 15.006 4.719 1.635 1.00 0.00 C ATOM 484 C SER A 33 13.999 4.796 2.778 1.00 0.00 C ATOM 485 O SER A 33 13.536 5.877 3.140 1.00 0.00 O ATOM 486 CB SER A 33 16.343 5.316 2.076 1.00 0.00 C ATOM 487 OG SER A 33 17.261 5.364 0.998 1.00 0.00 O ATOM 0 H SER A 33 14.284 6.399 0.608 1.00 0.00 H new ATOM 0 HA SER A 33 15.154 3.671 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.185 6.321 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.761 4.720 2.887 1.00 0.00 H new ATOM 0 HG SER A 33 18.107 5.751 1.306 1.00 0.00 H new ATOM 493 N ILE A 34 13.665 3.640 3.344 1.00 0.00 N ATOM 494 CA ILE A 34 12.715 3.576 4.447 1.00 0.00 C ATOM 495 C ILE A 34 13.369 3.987 5.761 1.00 0.00 C ATOM 496 O ILE A 34 12.794 4.739 6.546 1.00 0.00 O ATOM 497 CB ILE A 34 12.125 2.163 4.600 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.319 1.784 3.356 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.255 2.083 5.845 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.301 0.298 3.075 1.00 0.00 C ATOM 0 H ILE A 34 14.039 2.736 3.056 1.00 0.00 H new ATOM 0 HA ILE A 34 11.911 4.273 4.211 1.00 0.00 H new ATOM 0 HB ILE A 34 12.946 1.454 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.294 2.135 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.734 2.304 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.845 1.077 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.856 2.313 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.439 2.801 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.711 0.104 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.321 -0.056 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.858 -0.227 3.921 1.00 0.00 H new ATOM 512 N GLY A 35 14.580 3.489 5.994 1.00 0.00 N ATOM 513 CA GLY A 35 15.295 3.816 7.214 1.00 0.00 C ATOM 514 C GLY A 35 15.513 2.606 8.101 1.00 0.00 C ATOM 515 O GLY A 35 15.145 1.483 7.757 1.00 0.00 O ATOM 0 H GLY A 35 15.078 2.865 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.260 4.254 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.737 4.572 7.767 1.00 0.00 H new ATOM 519 N PRO A 36 16.127 2.829 9.273 1.00 0.00 N ATOM 520 CA PRO A 36 16.409 1.760 10.234 1.00 0.00 C ATOM 521 C PRO A 36 15.142 1.220 10.890 1.00 0.00 C ATOM 522 O PRO A 36 15.202 0.351 11.759 1.00 0.00 O ATOM 523 CB PRO A 36 17.299 2.444 11.275 1.00 0.00 C ATOM 524 CG PRO A 36 16.942 3.887 11.188 1.00 0.00 C ATOM 525 CD PRO A 36 16.594 4.142 9.747 1.00 0.00 C ATOM 0 HA PRO A 36 16.873 0.896 9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.114 2.050 12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.355 2.284 11.060 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.100 4.121 11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.775 4.515 11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.820 4.903 9.649 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.458 4.490 9.180 1.00 0.00 H new ATOM 533 N ASP A 37 13.995 1.742 10.467 1.00 0.00 N ATOM 534 CA ASP A 37 12.713 1.312 11.011 1.00 0.00 C ATOM 535 C ASP A 37 11.636 1.313 9.932 1.00 0.00 C ATOM 536 O ASP A 37 11.466 2.297 9.211 1.00 0.00 O ATOM 537 CB ASP A 37 12.295 2.223 12.168 1.00 0.00 C ATOM 538 CG ASP A 37 13.230 2.115 13.356 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.460 2.200 13.154 1.00 0.00 O ATOM 540 OD2 ASP A 37 12.733 1.948 14.489 1.00 0.00 O ATOM 0 H ASP A 37 13.928 2.463 9.749 1.00 0.00 H new ATOM 0 HA ASP A 37 12.827 0.294 11.383 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.269 3.256 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.283 1.967 12.481 1.00 0.00 H new ATOM 545 N PHE A 38 10.910 0.205 9.824 1.00 0.00 N ATOM 546 CA PHE A 38 9.851 0.078 8.831 1.00 0.00 C ATOM 547 C PHE A 38 8.629 0.901 9.230 1.00 0.00 C ATOM 548 O PHE A 38 8.238 1.830 8.524 1.00 0.00 O ATOM 549 CB PHE A 38 9.457 -1.391 8.660 1.00 0.00 C ATOM 550 CG PHE A 38 8.708 -1.666 7.388 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.313 -1.468 6.157 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.402 -2.126 7.422 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.626 -1.720 4.984 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.711 -2.381 6.252 1.00 0.00 C ATOM 555 CZ PHE A 38 7.324 -2.178 5.031 1.00 0.00 C ATOM 0 H PHE A 38 11.036 -0.618 10.413 1.00 0.00 H new ATOM 0 HA PHE A 38 10.229 0.459 7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.357 -2.005 8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.842 -1.695 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.332 -1.113 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.918 -2.287 8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.108 -1.559 4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.693 -2.739 6.293 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.787 -2.377 4.116 1.00 0.00 H new ATOM 565 N GLN A 39 8.033 0.552 10.365 1.00 0.00 N ATOM 566 CA GLN A 39 6.855 1.258 10.857 1.00 0.00 C ATOM 567 C GLN A 39 7.022 2.766 10.705 1.00 0.00 C ATOM 568 O GLN A 39 6.128 3.454 10.211 1.00 0.00 O ATOM 569 CB GLN A 39 6.600 0.907 12.324 1.00 0.00 C ATOM 570 CG GLN A 39 5.255 1.392 12.841 1.00 0.00 C ATOM 571 CD GLN A 39 5.324 2.790 13.422 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.722 3.749 12.729 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.910 3.007 14.483 1.00 0.00 N flip ATOM 0 H GLN A 39 8.346 -0.214 10.961 1.00 0.00 H new ATOM 0 HA GLN A 39 5.998 0.943 10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.658 -0.175 12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.392 1.339 12.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.530 1.376 12.027 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.893 0.703 13.604 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.359 2.240 14.983 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.946 3.954 14.861 1.00 0.00 H new ATOM 582 N LYS A 40 8.171 3.276 11.133 1.00 0.00 N ATOM 583 CA LYS A 40 8.457 4.703 11.044 1.00 0.00 C ATOM 584 C LYS A 40 8.667 5.127 9.593 1.00 0.00 C ATOM 585 O LYS A 40 7.903 5.925 9.053 1.00 0.00 O ATOM 586 CB LYS A 40 9.697 5.049 11.872 1.00 0.00 C ATOM 587 CG LYS A 40 9.468 4.973 13.371 1.00 0.00 C ATOM 588 CD LYS A 40 10.757 4.674 14.118 1.00 0.00 C ATOM 589 CE LYS A 40 11.494 5.951 14.493 1.00 0.00 C ATOM 590 NZ LYS A 40 12.690 5.674 15.335 1.00 0.00 N ATOM 0 H LYS A 40 8.921 2.721 11.546 1.00 0.00 H new ATOM 0 HA LYS A 40 7.599 5.245 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.505 4.370 11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.027 6.055 11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.052 5.916 13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.732 4.199 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.532 4.104 15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.401 4.050 13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.801 6.473 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.818 6.616 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.165 6.569 15.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.395 5.199 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.347 5.060 14.813 1.00 0.00 H new ATOM 604 N GLY A 41 9.707 4.584 8.968 1.00 0.00 N ATOM 605 CA GLY A 41 9.997 4.917 7.585 1.00 0.00 C ATOM 606 C GLY A 41 8.742 5.063 6.748 1.00 0.00 C ATOM 607 O GLY A 41 8.702 5.857 5.807 1.00 0.00 O ATOM 0 H GLY A 41 10.354 3.920 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.564 5.847 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.630 4.142 7.153 1.00 0.00 H new ATOM 611 N LEU A 42 7.713 4.294 7.088 1.00 0.00 N ATOM 612 CA LEU A 42 6.450 4.340 6.360 1.00 0.00 C ATOM 613 C LEU A 42 5.454 5.263 7.056 1.00 0.00 C ATOM 614 O LEU A 42 4.674 5.957 6.403 1.00 0.00 O ATOM 615 CB LEU A 42 5.859 2.935 6.235 1.00 0.00 C ATOM 616 CG LEU A 42 6.799 1.859 5.689 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.097 0.510 5.646 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.303 2.243 4.306 1.00 0.00 C ATOM 0 H LEU A 42 7.729 3.631 7.863 1.00 0.00 H new ATOM 0 HA LEU A 42 6.648 4.734 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.511 2.620 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.983 2.987 5.588 1.00 0.00 H new ATOM 0 HG LEU A 42 7.656 1.779 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.781 -0.244 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.785 0.230 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.222 0.576 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.970 1.466 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.457 2.351 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.843 3.188 4.365 1.00 0.00 H new ATOM 630 N LYS A 43 5.487 5.266 8.383 1.00 0.00 N ATOM 631 CA LYS A 43 4.589 6.106 9.169 1.00 0.00 C ATOM 632 C LYS A 43 4.343 7.439 8.472 1.00 0.00 C ATOM 633 O LYS A 43 3.222 7.735 8.056 1.00 0.00 O ATOM 634 CB LYS A 43 5.174 6.347 10.563 1.00 0.00 C ATOM 635 CG LYS A 43 4.255 7.137 11.479 1.00 0.00 C ATOM 636 CD LYS A 43 5.033 7.834 12.583 1.00 0.00 C ATOM 637 CE LYS A 43 4.149 8.788 13.370 1.00 0.00 C ATOM 638 NZ LYS A 43 4.920 9.536 14.402 1.00 0.00 N ATOM 0 H LYS A 43 6.126 4.697 8.938 1.00 0.00 H new ATOM 0 HA LYS A 43 3.636 5.586 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.396 5.386 11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.120 6.879 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.707 7.877 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.516 6.468 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.457 7.089 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.868 8.384 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.678 9.494 12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.348 8.227 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.281 10.176 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.349 8.864 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.669 10.092 13.941 1.00 0.00 H new ATOM 652 N ASP A 44 5.395 8.239 8.347 1.00 0.00 N ATOM 653 CA ASP A 44 5.293 9.541 7.698 1.00 0.00 C ATOM 654 C ASP A 44 4.413 9.460 6.454 1.00 0.00 C ATOM 655 O ASP A 44 3.653 10.381 6.156 1.00 0.00 O ATOM 656 CB ASP A 44 6.683 10.058 7.321 1.00 0.00 C ATOM 657 CG ASP A 44 7.728 9.721 8.366 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.865 10.494 9.338 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.409 8.686 8.213 1.00 0.00 O ATOM 0 H ASP A 44 6.329 8.009 8.687 1.00 0.00 H new ATOM 0 HA ASP A 44 4.834 10.235 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.979 9.630 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.642 11.139 7.188 1.00 0.00 H new ATOM 664 N GLY A 45 4.523 8.351 5.727 1.00 0.00 N ATOM 665 CA GLY A 45 3.733 8.171 4.524 1.00 0.00 C ATOM 666 C GLY A 45 4.364 8.827 3.313 1.00 0.00 C ATOM 667 O GLY A 45 3.666 9.368 2.454 1.00 0.00 O ATOM 0 H GLY A 45 5.146 7.575 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.607 7.105 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.738 8.586 4.681 1.00 0.00 H new ATOM 671 N THR A 46 5.692 8.782 3.241 1.00 0.00 N ATOM 672 CA THR A 46 6.417 9.379 2.128 1.00 0.00 C ATOM 673 C THR A 46 6.618 8.375 1.000 1.00 0.00 C ATOM 674 O THR A 46 6.302 8.653 -0.156 1.00 0.00 O ATOM 675 CB THR A 46 7.791 9.914 2.575 1.00 0.00 C ATOM 676 OG1 THR A 46 8.477 8.919 3.343 1.00 0.00 O ATOM 677 CG2 THR A 46 7.635 11.182 3.401 1.00 0.00 C ATOM 0 H THR A 46 6.286 8.338 3.941 1.00 0.00 H new ATOM 0 HA THR A 46 5.811 10.210 1.766 1.00 0.00 H new ATOM 0 HB THR A 46 8.373 10.150 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.350 9.266 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.618 11.541 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.138 11.947 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.037 10.968 4.287 1.00 0.00 H new ATOM 685 N ILE A 47 7.146 7.204 1.345 1.00 0.00 N ATOM 686 CA ILE A 47 7.387 6.156 0.360 1.00 0.00 C ATOM 687 C ILE A 47 6.098 5.416 0.019 1.00 0.00 C ATOM 688 O ILE A 47 5.757 5.247 -1.153 1.00 0.00 O ATOM 689 CB ILE A 47 8.431 5.142 0.862 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.721 5.862 1.263 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.712 4.098 -0.209 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.506 5.140 2.336 1.00 0.00 C ATOM 0 H ILE A 47 7.414 6.958 2.298 1.00 0.00 H new ATOM 0 HA ILE A 47 7.770 6.646 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 47 8.031 4.635 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.351 5.981 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.474 6.863 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.452 3.388 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.791 3.569 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.095 4.589 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.407 5.706 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.894 5.044 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.784 4.148 1.979 1.00 0.00 H new ATOM 704 N LEU A 48 5.385 4.976 1.050 1.00 0.00 N ATOM 705 CA LEU A 48 4.131 4.255 0.860 1.00 0.00 C ATOM 706 C LEU A 48 3.318 4.865 -0.279 1.00 0.00 C ATOM 707 O LEU A 48 2.579 4.164 -0.971 1.00 0.00 O ATOM 708 CB LEU A 48 3.311 4.268 2.151 1.00 0.00 C ATOM 709 CG LEU A 48 3.780 3.318 3.254 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.841 3.380 4.448 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.878 1.894 2.724 1.00 0.00 C ATOM 0 H LEU A 48 5.653 5.106 2.025 1.00 0.00 H new ATOM 0 HA LEU A 48 4.370 3.224 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.312 5.283 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.278 4.024 1.904 1.00 0.00 H new ATOM 0 HG LEU A 48 4.771 3.633 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.191 2.697 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.820 4.396 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.837 3.091 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.213 1.231 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.900 1.570 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.592 1.860 1.901 1.00 0.00 H new ATOM 723 N CYS A 49 3.462 6.172 -0.466 1.00 0.00 N ATOM 724 CA CYS A 49 2.742 6.876 -1.521 1.00 0.00 C ATOM 725 C CYS A 49 3.403 6.647 -2.877 1.00 0.00 C ATOM 726 O CYS A 49 2.764 6.179 -3.821 1.00 0.00 O ATOM 727 CB CYS A 49 2.683 8.373 -1.216 1.00 0.00 C ATOM 728 SG CYS A 49 1.410 8.833 -0.018 1.00 0.00 S ATOM 0 H CYS A 49 4.070 6.765 0.099 1.00 0.00 H new ATOM 0 HA CYS A 49 1.727 6.480 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.654 8.695 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.506 8.915 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 49 1.549 10.085 0.303 1.00 0.00 H new ATOM 734 N THR A 50 4.687 6.979 -2.967 1.00 0.00 N ATOM 735 CA THR A 50 5.434 6.813 -4.208 1.00 0.00 C ATOM 736 C THR A 50 5.330 5.383 -4.724 1.00 0.00 C ATOM 737 O THR A 50 5.189 5.154 -5.926 1.00 0.00 O ATOM 738 CB THR A 50 6.920 7.173 -4.021 1.00 0.00 C ATOM 739 OG1 THR A 50 7.443 6.511 -2.864 1.00 0.00 O ATOM 740 CG2 THR A 50 7.098 8.677 -3.875 1.00 0.00 C ATOM 0 H THR A 50 5.231 7.364 -2.195 1.00 0.00 H new ATOM 0 HA THR A 50 4.992 7.492 -4.937 1.00 0.00 H new ATOM 0 HB THR A 50 7.465 6.843 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.718 6.043 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.155 8.907 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.726 9.176 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.540 9.027 -3.006 1.00 0.00 H new ATOM 748 N LEU A 51 5.401 4.422 -3.808 1.00 0.00 N ATOM 749 CA LEU A 51 5.315 3.012 -4.172 1.00 0.00 C ATOM 750 C LEU A 51 4.097 2.751 -5.054 1.00 0.00 C ATOM 751 O LEU A 51 4.197 2.088 -6.086 1.00 0.00 O ATOM 752 CB LEU A 51 5.243 2.144 -2.914 1.00 0.00 C ATOM 753 CG LEU A 51 4.790 0.698 -3.121 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.868 -0.102 -3.836 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.442 0.054 -1.788 1.00 0.00 C ATOM 0 H LEU A 51 5.518 4.594 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 51 6.211 2.752 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.228 2.132 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.563 2.619 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 51 3.896 0.703 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.528 -1.128 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.070 0.348 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.780 -0.099 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.122 -0.975 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.319 0.061 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.636 0.613 -1.313 1.00 0.00 H new ATOM 767 N MET A 52 2.949 3.276 -4.639 1.00 0.00 N ATOM 768 CA MET A 52 1.714 3.102 -5.394 1.00 0.00 C ATOM 769 C MET A 52 1.806 3.786 -6.754 1.00 0.00 C ATOM 770 O MET A 52 1.515 3.181 -7.784 1.00 0.00 O ATOM 771 CB MET A 52 0.528 3.664 -4.607 1.00 0.00 C ATOM 772 CG MET A 52 -0.822 3.342 -5.229 1.00 0.00 C ATOM 773 SD MET A 52 -1.430 1.710 -4.762 1.00 0.00 S ATOM 774 CE MET A 52 -1.847 1.032 -6.366 1.00 0.00 C ATOM 0 H MET A 52 2.848 3.825 -3.785 1.00 0.00 H new ATOM 0 HA MET A 52 1.563 2.034 -5.554 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.555 3.267 -3.592 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.634 4.746 -4.529 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.547 4.097 -4.924 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.740 3.398 -6.314 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.930 -0.052 -6.292 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.798 1.447 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.067 1.289 -7.083 1.00 0.00 H new ATOM 784 N ASN A 53 2.212 5.051 -6.749 1.00 0.00 N ATOM 785 CA ASN A 53 2.342 5.817 -7.984 1.00 0.00 C ATOM 786 C ASN A 53 3.142 5.039 -9.025 1.00 0.00 C ATOM 787 O ASN A 53 3.007 5.271 -10.227 1.00 0.00 O ATOM 788 CB ASN A 53 3.018 7.161 -7.705 1.00 0.00 C ATOM 789 CG ASN A 53 2.019 8.252 -7.370 1.00 0.00 C ATOM 790 OD1 ASN A 53 0.967 8.361 -8.001 1.00 0.00 O ATOM 791 ND2 ASN A 53 2.345 9.067 -6.373 1.00 0.00 N ATOM 0 H ASN A 53 2.457 5.568 -5.904 1.00 0.00 H new ATOM 0 HA ASN A 53 1.342 5.995 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.719 7.047 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.600 7.460 -8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.713 9.820 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.228 8.939 -5.878 1.00 0.00 H new ATOM 798 N LYS A 54 3.974 4.116 -8.555 1.00 0.00 N ATOM 799 CA LYS A 54 4.794 3.301 -9.445 1.00 0.00 C ATOM 800 C LYS A 54 3.983 2.150 -10.030 1.00 0.00 C ATOM 801 O LYS A 54 4.083 1.850 -11.220 1.00 0.00 O ATOM 802 CB LYS A 54 6.009 2.754 -8.691 1.00 0.00 C ATOM 803 CG LYS A 54 6.964 3.832 -8.212 1.00 0.00 C ATOM 804 CD LYS A 54 7.674 4.506 -9.374 1.00 0.00 C ATOM 805 CE LYS A 54 8.410 5.760 -8.926 1.00 0.00 C ATOM 806 NZ LYS A 54 9.328 6.271 -9.983 1.00 0.00 N ATOM 0 H LYS A 54 4.099 3.913 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 54 5.137 3.932 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.664 2.179 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.549 2.065 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.414 4.578 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.701 3.393 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.381 3.809 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.948 4.765 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.686 6.533 -8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.981 5.543 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.811 7.126 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.034 5.542 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.780 6.502 -10.836 1.00 0.00 H new ATOM 820 N LEU A 55 3.181 1.509 -9.188 1.00 0.00 N ATOM 821 CA LEU A 55 2.351 0.391 -9.622 1.00 0.00 C ATOM 822 C LEU A 55 1.190 0.877 -10.482 1.00 0.00 C ATOM 823 O LEU A 55 1.010 0.423 -11.612 1.00 0.00 O ATOM 824 CB LEU A 55 1.818 -0.375 -8.410 1.00 0.00 C ATOM 825 CG LEU A 55 2.852 -0.763 -7.353 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.182 -1.476 -6.187 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.936 -1.638 -7.963 1.00 0.00 C ATOM 0 H LEU A 55 3.088 1.744 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 55 2.969 -0.277 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.049 0.232 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.332 -1.284 -8.765 1.00 0.00 H new ATOM 0 HG LEU A 55 3.318 0.148 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.933 -1.745 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.443 -0.816 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.689 -2.379 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.663 -1.904 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.487 -2.545 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.436 -1.093 -8.763 1.00 0.00 H new ATOM 839 N GLN A 56 0.406 1.804 -9.941 1.00 0.00 N ATOM 840 CA GLN A 56 -0.738 2.351 -10.660 1.00 0.00 C ATOM 841 C GLN A 56 -0.433 3.753 -11.179 1.00 0.00 C ATOM 842 O GLN A 56 -0.109 4.666 -10.420 1.00 0.00 O ATOM 843 CB GLN A 56 -1.969 2.388 -9.752 1.00 0.00 C ATOM 844 CG GLN A 56 -3.090 3.268 -10.282 1.00 0.00 C ATOM 845 CD GLN A 56 -4.462 2.782 -9.861 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.050 1.913 -10.505 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.980 3.340 -8.773 1.00 0.00 N ATOM 0 H GLN A 56 0.542 2.192 -9.007 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.944 1.703 -11.512 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.345 1.373 -9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.672 2.746 -8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.945 4.288 -9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.038 3.300 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.458 4.057 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.900 3.052 -8.441 1.00 0.00 H new ATOM 856 N PRO A 57 -0.538 3.928 -12.505 1.00 0.00 N ATOM 857 CA PRO A 57 -0.278 5.216 -13.156 1.00 0.00 C ATOM 858 C PRO A 57 -1.348 6.255 -12.835 1.00 0.00 C ATOM 859 O PRO A 57 -2.264 6.481 -13.624 1.00 0.00 O ATOM 860 CB PRO A 57 -0.299 4.870 -14.647 1.00 0.00 C ATOM 861 CG PRO A 57 -1.152 3.653 -14.742 1.00 0.00 C ATOM 862 CD PRO A 57 -0.920 2.884 -13.471 1.00 0.00 C ATOM 0 HA PRO A 57 0.659 5.660 -12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.710 5.689 -15.237 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.706 4.679 -15.023 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.203 3.921 -14.850 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.884 3.056 -15.614 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.817 2.352 -13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.133 2.139 -13.590 1.00 0.00 H new ATOM 870 N GLY A 58 -1.223 6.885 -11.670 1.00 0.00 N ATOM 871 CA GLY A 58 -2.186 7.893 -11.266 1.00 0.00 C ATOM 872 C GLY A 58 -2.968 7.485 -10.035 1.00 0.00 C ATOM 873 O GLY A 58 -4.199 7.462 -10.052 1.00 0.00 O ATOM 0 H GLY A 58 -0.473 6.715 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.665 8.830 -11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.878 8.080 -12.087 1.00 0.00 H new ATOM 877 N SER A 59 -2.254 7.162 -8.961 1.00 0.00 N ATOM 878 CA SER A 59 -2.889 6.748 -7.716 1.00 0.00 C ATOM 879 C SER A 59 -2.906 7.893 -6.707 1.00 0.00 C ATOM 880 O SER A 59 -3.957 8.465 -6.418 1.00 0.00 O ATOM 881 CB SER A 59 -2.159 5.542 -7.123 1.00 0.00 C ATOM 882 OG SER A 59 -0.788 5.549 -7.479 1.00 0.00 O ATOM 0 H SER A 59 -1.235 7.179 -8.929 1.00 0.00 H new ATOM 0 HA SER A 59 -3.919 6.468 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.256 5.552 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.625 4.622 -7.476 1.00 0.00 H new ATOM 0 HG SER A 59 -0.690 5.258 -8.410 1.00 0.00 H new ATOM 888 N VAL A 60 -1.733 8.222 -6.175 1.00 0.00 N ATOM 889 CA VAL A 60 -1.610 9.298 -5.200 1.00 0.00 C ATOM 890 C VAL A 60 -1.493 10.653 -5.889 1.00 0.00 C ATOM 891 O VAL A 60 -0.637 10.869 -6.747 1.00 0.00 O ATOM 892 CB VAL A 60 -0.388 9.091 -4.286 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.207 10.284 -3.359 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.531 7.803 -3.489 1.00 0.00 C ATOM 0 H VAL A 60 -0.854 7.758 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.515 9.280 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 60 0.502 9.008 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.661 10.120 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.056 11.186 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.096 10.402 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.341 7.673 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.429 7.854 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.608 6.958 -4.173 1.00 0.00 H new ATOM 904 N PRO A 61 -2.373 11.590 -5.505 1.00 0.00 N ATOM 905 CA PRO A 61 -2.386 12.942 -6.072 1.00 0.00 C ATOM 906 C PRO A 61 -1.175 13.763 -5.644 1.00 0.00 C ATOM 907 O PRO A 61 -0.488 14.355 -6.477 1.00 0.00 O ATOM 908 CB PRO A 61 -3.672 13.551 -5.507 1.00 0.00 C ATOM 909 CG PRO A 61 -3.924 12.799 -4.245 1.00 0.00 C ATOM 910 CD PRO A 61 -3.419 11.403 -4.487 1.00 0.00 C ATOM 0 HA PRO A 61 -2.347 12.927 -7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.554 14.618 -5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.502 13.442 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.406 13.261 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.986 12.793 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.018 10.957 -3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.212 10.745 -4.842 1.00 0.00 H new ATOM 918 N LYS A 62 -0.919 13.796 -4.342 1.00 0.00 N ATOM 919 CA LYS A 62 0.211 14.544 -3.802 1.00 0.00 C ATOM 920 C LYS A 62 0.702 13.920 -2.499 1.00 0.00 C ATOM 921 O LYS A 62 -0.060 13.267 -1.787 1.00 0.00 O ATOM 922 CB LYS A 62 -0.184 16.003 -3.565 1.00 0.00 C ATOM 923 CG LYS A 62 0.968 16.979 -3.737 1.00 0.00 C ATOM 924 CD LYS A 62 1.106 17.429 -5.181 1.00 0.00 C ATOM 925 CE LYS A 62 0.231 18.639 -5.475 1.00 0.00 C ATOM 926 NZ LYS A 62 -1.210 18.273 -5.559 1.00 0.00 N ATOM 0 H LYS A 62 -1.479 13.313 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 62 1.021 14.508 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.983 16.271 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.587 16.103 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.809 17.847 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.896 16.509 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.148 17.673 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.832 16.610 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.371 19.387 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.545 19.095 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.720 18.994 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.307 17.349 -6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.611 18.219 -4.601 1.00 0.00 H new ATOM 940 N ILE A 63 1.979 14.129 -2.194 1.00 0.00 N ATOM 941 CA ILE A 63 2.571 13.590 -0.975 1.00 0.00 C ATOM 942 C ILE A 63 3.100 14.707 -0.081 1.00 0.00 C ATOM 943 O ILE A 63 3.915 15.524 -0.508 1.00 0.00 O ATOM 944 CB ILE A 63 3.718 12.613 -1.291 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.191 11.409 -2.073 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.397 12.162 -0.007 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.282 10.580 -2.713 1.00 0.00 C ATOM 0 H ILE A 63 2.623 14.667 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 63 1.781 13.052 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 63 4.455 13.128 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.611 10.776 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.510 11.759 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.206 11.472 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.802 13.029 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.670 11.661 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.835 9.744 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.848 11.199 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.950 10.199 -1.941 1.00 0.00 H new ATOM 959 N ASN A 64 2.631 14.734 1.162 1.00 0.00 N ATOM 960 CA ASN A 64 3.059 15.749 2.118 1.00 0.00 C ATOM 961 C ASN A 64 4.334 15.318 2.836 1.00 0.00 C ATOM 962 O ASN A 64 4.282 14.660 3.875 1.00 0.00 O ATOM 963 CB ASN A 64 1.951 16.015 3.140 1.00 0.00 C ATOM 964 CG ASN A 64 0.580 16.104 2.497 1.00 0.00 C ATOM 965 OD1 ASN A 64 -0.383 15.378 3.055 1.00 0.00 O flip ATOM 966 ND2 ASN A 64 0.389 16.815 1.511 1.00 0.00 N flip ATOM 0 H ASN A 64 1.955 14.065 1.531 1.00 0.00 H new ATOM 0 HA ASN A 64 3.266 16.667 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.949 15.219 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.163 16.945 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.158 17.356 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.538 16.864 1.089 1.00 0.00 H new ATOM 973 N ARG A 65 5.478 15.694 2.274 1.00 0.00 N ATOM 974 CA ARG A 65 6.767 15.347 2.860 1.00 0.00 C ATOM 975 C ARG A 65 6.867 15.854 4.295 1.00 0.00 C ATOM 976 O ARG A 65 7.545 15.254 5.130 1.00 0.00 O ATOM 977 CB ARG A 65 7.906 15.931 2.021 1.00 0.00 C ATOM 978 CG ARG A 65 9.212 15.163 2.149 1.00 0.00 C ATOM 979 CD ARG A 65 10.033 15.242 0.872 1.00 0.00 C ATOM 980 NE ARG A 65 11.452 15.007 1.118 1.00 0.00 N ATOM 981 CZ ARG A 65 12.288 15.943 1.556 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.847 17.170 1.794 1.00 0.00 N ATOM 983 NH2 ARG A 65 13.567 15.652 1.756 1.00 0.00 N ATOM 0 H ARG A 65 5.539 16.239 1.414 1.00 0.00 H new ATOM 0 HA ARG A 65 6.852 14.260 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.604 15.946 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.072 16.966 2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.791 15.565 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.000 14.120 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.663 14.507 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.902 16.224 0.417 1.00 0.00 H new ATOM 0 HE ARG A 65 11.823 14.073 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.865 17.397 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.490 17.887 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.910 14.709 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.207 16.371 2.092 1.00 0.00 H new ATOM 997 N SER A 66 6.188 16.962 4.574 1.00 0.00 N ATOM 998 CA SER A 66 6.204 17.553 5.907 1.00 0.00 C ATOM 999 C SER A 66 6.041 16.479 6.979 1.00 0.00 C ATOM 1000 O SER A 66 5.366 15.472 6.767 1.00 0.00 O ATOM 1001 CB SER A 66 5.090 18.594 6.040 1.00 0.00 C ATOM 1002 OG SER A 66 5.368 19.506 7.088 1.00 0.00 O ATOM 0 H SER A 66 5.620 17.468 3.895 1.00 0.00 H new ATOM 0 HA SER A 66 7.168 18.042 6.049 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.981 19.136 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.141 18.093 6.231 1.00 0.00 H new ATOM 0 HG SER A 66 4.643 20.162 7.152 1.00 0.00 H new ATOM 1008 N MET A 67 6.664 16.702 8.131 1.00 0.00 N ATOM 1009 CA MET A 67 6.589 15.755 9.238 1.00 0.00 C ATOM 1010 C MET A 67 5.472 16.136 10.205 1.00 0.00 C ATOM 1011 O MET A 67 5.629 16.026 11.420 1.00 0.00 O ATOM 1012 CB MET A 67 7.925 15.696 9.979 1.00 0.00 C ATOM 1013 CG MET A 67 8.211 14.343 10.611 1.00 0.00 C ATOM 1014 SD MET A 67 9.749 14.327 11.551 1.00 0.00 S ATOM 1015 CE MET A 67 9.651 12.718 12.333 1.00 0.00 C ATOM 0 H MET A 67 7.227 17.531 8.323 1.00 0.00 H new ATOM 0 HA MET A 67 6.368 14.770 8.826 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.728 15.940 9.283 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.934 16.460 10.756 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.385 14.072 11.268 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.259 13.584 9.830 1.00 0.00 H new ATOM 0 HE1 MET A 67 10.535 12.559 12.951 1.00 0.00 H new ATOM 0 HE2 MET A 67 8.758 12.670 12.957 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.600 11.944 11.567 1.00 0.00 H new ATOM 1025 N GLN A 68 4.348 16.586 9.656 1.00 0.00 N ATOM 1026 CA GLN A 68 3.207 16.984 10.472 1.00 0.00 C ATOM 1027 C GLN A 68 2.200 15.847 10.592 1.00 0.00 C ATOM 1028 O GLN A 68 2.129 14.974 9.728 1.00 0.00 O ATOM 1029 CB GLN A 68 2.532 18.219 9.873 1.00 0.00 C ATOM 1030 CG GLN A 68 3.416 19.456 9.870 1.00 0.00 C ATOM 1031 CD GLN A 68 3.406 20.183 11.201 1.00 0.00 C ATOM 1032 OE1 GLN A 68 4.581 20.604 11.654 1.00 0.00 O flip ATOM 1033 NE2 GLN A 68 2.355 20.363 11.815 1.00 0.00 N flip ATOM 0 H GLN A 68 4.203 16.684 8.651 1.00 0.00 H new ATOM 0 HA GLN A 68 3.573 17.226 11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.229 17.997 8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.623 18.434 10.435 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.438 19.167 9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.081 20.136 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.474 20.022 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.364 20.853 12.710 1.00 0.00 H new ATOM 1042 N ASN A 69 1.422 15.863 11.670 1.00 0.00 N ATOM 1043 CA ASN A 69 0.418 14.831 11.903 1.00 0.00 C ATOM 1044 C ASN A 69 -0.495 14.677 10.691 1.00 0.00 C ATOM 1045 O ASN A 69 -0.411 13.690 9.960 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.413 15.171 13.143 1.00 0.00 C ATOM 1047 CG ASN A 69 0.439 15.311 14.389 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.643 15.552 14.307 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -0.186 15.163 15.552 1.00 0.00 N ATOM 0 H ASN A 69 1.468 16.579 12.395 1.00 0.00 H new ATOM 0 HA ASN A 69 0.935 13.886 12.068 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.955 16.101 12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.159 14.392 13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.334 15.249 16.425 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.186 14.964 15.572 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.366 15.658 10.485 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.295 15.631 9.360 1.00 0.00 C ATOM 1058 C TRP A 70 -1.582 15.231 8.074 1.00 0.00 C ATOM 1059 O TRP A 70 -1.945 14.245 7.432 1.00 0.00 O ATOM 1060 CB TRP A 70 -2.957 16.999 9.187 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.018 18.146 9.411 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.281 18.799 8.466 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.716 18.773 10.662 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.539 19.794 9.052 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -0.788 19.800 10.400 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.140 18.570 11.978 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.278 20.617 11.404 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.633 19.382 12.975 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.710 20.395 12.684 1.00 0.00 C ATOM 0 H TRP A 70 -1.449 16.481 11.081 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.063 14.887 9.573 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.372 17.069 8.181 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.792 17.081 9.883 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.282 18.567 7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.095 20.426 8.564 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.852 17.792 12.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.433 21.399 11.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.954 19.233 13.995 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.332 21.013 13.485 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.565 16.001 7.703 1.00 0.00 N ATOM 1081 CA HIS A 71 0.201 15.725 6.492 1.00 0.00 C ATOM 1082 C HIS A 71 0.569 14.247 6.406 1.00 0.00 C ATOM 1083 O HIS A 71 0.319 13.594 5.394 1.00 0.00 O ATOM 1084 CB HIS A 71 1.468 16.581 6.458 1.00 0.00 C ATOM 1085 CG HIS A 71 1.215 18.011 6.092 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.954 19.059 6.599 1.00 0.00 N ATOM 1087 CD2 HIS A 71 0.299 18.565 5.263 1.00 0.00 C ATOM 1088 CE1 HIS A 71 1.502 20.195 6.099 1.00 0.00 C ATOM 1089 NE2 HIS A 71 0.498 19.923 5.284 1.00 0.00 N ATOM 0 H HIS A 71 -0.252 16.821 8.223 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.422 15.976 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.948 16.544 7.436 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.169 16.150 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.449 18.036 4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.888 21.179 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.041 20.610 4.757 1.00 0.00 H new ATOM 1098 N GLN A 72 1.164 13.728 7.475 1.00 0.00 N ATOM 1099 CA GLN A 72 1.567 12.327 7.519 1.00 0.00 C ATOM 1100 C GLN A 72 0.373 11.410 7.282 1.00 0.00 C ATOM 1101 O GLN A 72 0.473 10.417 6.559 1.00 0.00 O ATOM 1102 CB GLN A 72 2.215 12.004 8.867 1.00 0.00 C ATOM 1103 CG GLN A 72 3.650 12.492 8.985 1.00 0.00 C ATOM 1104 CD GLN A 72 4.323 12.024 10.261 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.201 10.862 10.650 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.039 12.928 10.918 1.00 0.00 N ATOM 0 H GLN A 72 1.378 14.256 8.321 1.00 0.00 H new ATOM 0 HA GLN A 72 2.294 12.158 6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.621 12.453 9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.193 10.925 9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.222 12.139 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.663 13.581 8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.113 13.880 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.516 12.671 11.782 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.756 11.746 7.897 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.971 10.951 7.753 1.00 0.00 C ATOM 1117 C LEU A 73 -2.466 10.968 6.311 1.00 0.00 C ATOM 1118 O LEU A 73 -2.603 9.921 5.679 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.062 11.479 8.686 1.00 0.00 C ATOM 1120 CG LEU A 73 -3.114 10.854 10.081 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.444 9.372 9.990 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.795 11.066 10.809 1.00 0.00 C ATOM 0 H LEU A 73 -0.855 12.563 8.500 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.737 9.922 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.928 12.555 8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.028 11.326 8.205 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.903 11.346 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.477 8.944 10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.414 9.244 9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.678 8.864 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.850 10.615 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.988 10.601 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.601 12.134 10.907 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.730 12.165 5.797 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.209 12.319 4.427 1.00 0.00 C ATOM 1136 C GLU A 74 -2.517 11.329 3.495 1.00 0.00 C ATOM 1137 O GLU A 74 -3.141 10.762 2.600 1.00 0.00 O ATOM 1138 CB GLU A 74 -2.972 13.748 3.937 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.920 14.179 2.830 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.361 14.252 3.294 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.747 15.291 3.869 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.104 13.269 3.082 1.00 0.00 O ATOM 0 H GLU A 74 -2.621 13.041 6.307 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.279 12.113 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.075 14.433 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.946 13.835 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.613 15.155 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.845 13.478 1.999 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.221 11.127 3.713 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.442 10.207 2.891 1.00 0.00 C ATOM 1151 C ASN A 75 -1.049 8.807 2.918 1.00 0.00 C ATOM 1152 O ASN A 75 -1.510 8.299 1.894 1.00 0.00 O ATOM 1153 CB ASN A 75 1.007 10.155 3.380 1.00 0.00 C ATOM 1154 CG ASN A 75 1.780 11.412 3.032 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.421 12.138 2.105 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.847 11.675 3.776 1.00 0.00 N ATOM 0 H ASN A 75 -0.689 11.587 4.451 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.459 10.573 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.018 10.012 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.505 9.292 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.406 12.507 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.108 11.045 4.535 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.048 8.190 4.094 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.599 6.849 4.255 1.00 0.00 C ATOM 1165 C LEU A 76 -3.015 6.771 3.692 1.00 0.00 C ATOM 1166 O LEU A 76 -3.294 5.979 2.792 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.602 6.450 5.731 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.231 6.212 6.365 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.381 5.772 7.813 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.550 5.175 5.570 1.00 0.00 C ATOM 0 H LEU A 76 -0.672 8.597 4.950 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.968 6.155 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.111 7.230 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.193 5.541 5.840 1.00 0.00 H new ATOM 0 HG LEU A 76 0.324 7.150 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.605 5.607 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.901 6.547 8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.955 4.846 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.523 5.018 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.002 4.235 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.689 5.529 4.548 1.00 0.00 H new ATOM 1182 N SER A 77 -3.905 7.600 4.229 1.00 0.00 N ATOM 1183 CA SER A 77 -5.293 7.624 3.782 1.00 0.00 C ATOM 1184 C SER A 77 -5.377 7.511 2.262 1.00 0.00 C ATOM 1185 O SER A 77 -6.072 6.647 1.731 1.00 0.00 O ATOM 1186 CB SER A 77 -5.979 8.910 4.247 1.00 0.00 C ATOM 1187 OG SER A 77 -5.055 9.983 4.319 1.00 0.00 O ATOM 0 H SER A 77 -3.690 8.263 4.973 1.00 0.00 H new ATOM 0 HA SER A 77 -5.805 6.768 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.785 9.165 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.433 8.751 5.225 1.00 0.00 H new ATOM 0 HG SER A 77 -4.695 10.165 3.426 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.662 8.391 1.570 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.655 8.392 0.112 1.00 0.00 C ATOM 1195 C ASN A 78 -4.111 7.074 -0.431 1.00 0.00 C ATOM 1196 O ASN A 78 -4.753 6.413 -1.247 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.815 9.558 -0.415 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.572 10.871 -0.394 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.796 10.897 -0.518 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.845 11.971 -0.238 1.00 0.00 N ATOM 0 H ASN A 78 -4.080 9.113 1.995 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.683 8.509 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.912 9.653 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.497 9.341 -1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.299 12.884 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.832 11.903 -0.139 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.923 6.697 0.030 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.292 5.458 -0.409 1.00 0.00 C ATOM 1209 C PHE A 79 -3.270 4.290 -0.327 1.00 0.00 C ATOM 1210 O PHE A 79 -3.382 3.493 -1.260 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.055 5.160 0.442 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.561 3.749 0.310 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.472 3.146 -0.934 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.183 3.024 1.429 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.018 1.846 -1.059 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.273 1.725 1.310 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.356 1.136 0.064 1.00 0.00 C ATOM 0 H PHE A 79 -2.378 7.231 0.707 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.989 5.584 -1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.255 5.844 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.288 5.358 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.761 3.698 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.246 3.480 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.044 1.387 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.564 1.171 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.713 0.121 -0.032 1.00 0.00 H new ATOM 1227 N ILE A 80 -3.977 4.195 0.795 1.00 0.00 N ATOM 1228 CA ILE A 80 -4.946 3.126 0.998 1.00 0.00 C ATOM 1229 C ILE A 80 -6.019 3.144 -0.085 1.00 0.00 C ATOM 1230 O ILE A 80 -6.154 2.195 -0.858 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.623 3.234 2.377 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.581 3.114 3.492 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.693 2.165 2.527 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -4.949 3.875 4.746 1.00 0.00 C ATOM 0 H ILE A 80 -3.896 4.846 1.576 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.395 2.187 0.945 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.100 4.211 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.447 2.061 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.622 3.479 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.162 2.255 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.447 2.294 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.238 1.179 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.166 3.745 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.055 4.934 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.892 3.495 5.139 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.782 4.231 -0.137 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.843 4.376 -1.128 1.00 0.00 C ATOM 1248 C LYS A 81 -7.360 3.941 -2.508 1.00 0.00 C ATOM 1249 O LYS A 81 -8.102 3.317 -3.267 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.327 5.827 -1.178 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.246 6.200 -0.029 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.989 7.497 -0.309 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.068 8.702 -0.199 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.710 9.940 -0.721 1.00 0.00 N ATOM 0 H LYS A 81 -6.685 5.025 0.496 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.673 3.733 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.462 6.490 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.850 5.995 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.964 5.397 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.663 6.304 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.424 7.460 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.815 7.604 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.787 8.850 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.149 8.508 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.050 10.739 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.955 9.808 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.573 10.139 -0.177 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.114 4.273 -2.827 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.533 3.914 -4.114 1.00 0.00 C ATOM 1270 C ALA A 82 -5.525 2.402 -4.310 1.00 0.00 C ATOM 1271 O ALA A 82 -5.864 1.904 -5.383 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.121 4.470 -4.229 1.00 0.00 C ATOM 0 H ALA A 82 -5.487 4.791 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.150 4.353 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.699 4.194 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.149 5.556 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.502 4.058 -3.432 1.00 0.00 H new ATOM 1278 N MET A 83 -5.135 1.676 -3.267 1.00 0.00 N ATOM 1279 CA MET A 83 -5.084 0.220 -3.326 1.00 0.00 C ATOM 1280 C MET A 83 -6.435 -0.355 -3.742 1.00 0.00 C ATOM 1281 O MET A 83 -6.510 -1.210 -4.625 1.00 0.00 O ATOM 1282 CB MET A 83 -4.670 -0.353 -1.968 1.00 0.00 C ATOM 1283 CG MET A 83 -3.177 -0.263 -1.702 1.00 0.00 C ATOM 1284 SD MET A 83 -2.629 -1.417 -0.429 1.00 0.00 S ATOM 1285 CE MET A 83 -2.936 -0.459 1.053 1.00 0.00 C ATOM 0 H MET A 83 -4.850 2.072 -2.371 1.00 0.00 H new ATOM 0 HA MET A 83 -4.342 -0.062 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.204 0.178 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.978 -1.397 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.634 -0.462 -2.626 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.926 0.753 -1.398 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.939 -1.120 1.920 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.153 0.290 1.171 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.903 0.037 0.972 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.498 0.119 -3.102 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.846 -0.347 -3.407 1.00 0.00 C ATOM 1297 C VAL A 84 -9.093 -0.366 -4.912 1.00 0.00 C ATOM 1298 O VAL A 84 -9.656 -1.320 -5.446 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.911 0.537 -2.733 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.309 0.088 -3.133 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.747 0.512 -1.221 1.00 0.00 C ATOM 0 H VAL A 84 -7.453 0.826 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.927 -1.361 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.773 1.563 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.049 0.724 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.420 0.164 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.461 -0.946 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.508 1.143 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.857 -0.511 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.758 0.886 -0.956 1.00 0.00 H new ATOM 1311 N SER A 85 -8.668 0.697 -5.588 1.00 0.00 N ATOM 1312 CA SER A 85 -8.846 0.804 -7.032 1.00 0.00 C ATOM 1313 C SER A 85 -7.984 -0.220 -7.763 1.00 0.00 C ATOM 1314 O SER A 85 -8.404 -0.799 -8.766 1.00 0.00 O ATOM 1315 CB SER A 85 -8.495 2.216 -7.507 1.00 0.00 C ATOM 1316 OG SER A 85 -8.512 2.297 -8.922 1.00 0.00 O ATOM 0 H SER A 85 -8.199 1.495 -5.160 1.00 0.00 H new ATOM 0 HA SER A 85 -9.892 0.601 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.205 2.930 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.509 2.493 -7.136 1.00 0.00 H new ATOM 0 HG SER A 85 -8.286 3.209 -9.200 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.777 -0.438 -7.255 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.853 -1.390 -7.861 1.00 0.00 C ATOM 1324 C TYR A 86 -6.550 -2.717 -8.148 1.00 0.00 C ATOM 1325 O TYR A 86 -6.472 -3.245 -9.256 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.650 -1.620 -6.944 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.400 -2.046 -7.681 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.894 -1.285 -8.728 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.727 -3.209 -7.331 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.753 -1.670 -9.404 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.584 -3.601 -8.001 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.101 -2.829 -9.036 1.00 0.00 C ATOM 1333 OH TYR A 86 0.036 -3.217 -9.707 1.00 0.00 O ATOM 0 H TYR A 86 -6.415 0.031 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.506 -0.971 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.442 -0.702 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.905 -2.382 -6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.402 -0.377 -9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.103 -3.817 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.373 -1.067 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.071 -4.508 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.190 -3.912 -10.360 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.231 -3.250 -7.138 1.00 0.00 N ATOM 1344 CA GLY A 87 -7.932 -4.510 -7.300 1.00 0.00 C ATOM 1345 C GLY A 87 -7.772 -5.422 -6.100 1.00 0.00 C ATOM 1346 O GLY A 87 -7.740 -6.644 -6.240 1.00 0.00 O ATOM 0 H GLY A 87 -7.310 -2.832 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.992 -4.314 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.560 -5.017 -8.190 1.00 0.00 H new ATOM 1350 N MET A 88 -7.669 -4.826 -4.916 1.00 0.00 N ATOM 1351 CA MET A 88 -7.510 -5.593 -3.687 1.00 0.00 C ATOM 1352 C MET A 88 -8.850 -5.766 -2.977 1.00 0.00 C ATOM 1353 O MET A 88 -9.851 -5.168 -3.368 1.00 0.00 O ATOM 1354 CB MET A 88 -6.512 -4.903 -2.754 1.00 0.00 C ATOM 1355 CG MET A 88 -5.115 -4.782 -3.342 1.00 0.00 C ATOM 1356 SD MET A 88 -4.089 -6.224 -2.996 1.00 0.00 S ATOM 1357 CE MET A 88 -3.712 -5.963 -1.264 1.00 0.00 C ATOM 0 H MET A 88 -7.693 -3.815 -4.783 1.00 0.00 H new ATOM 0 HA MET A 88 -7.128 -6.579 -3.951 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.883 -3.907 -2.511 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.457 -5.460 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.190 -4.644 -4.421 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.631 -3.892 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.672 -5.653 -1.161 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.364 -5.187 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.871 -6.890 -0.713 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.859 -6.589 -1.934 1.00 0.00 N ATOM 1368 CA ASN A 89 -10.077 -6.842 -1.171 1.00 0.00 C ATOM 1369 C ASN A 89 -10.192 -5.877 0.004 1.00 0.00 C ATOM 1370 O ASN A 89 -9.211 -5.279 0.448 1.00 0.00 O ATOM 1371 CB ASN A 89 -10.095 -8.285 -0.663 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.744 -9.237 -1.649 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -11.239 -8.821 -2.697 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.747 -10.522 -1.317 1.00 0.00 N ATOM 0 H ASN A 89 -8.038 -7.092 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.929 -6.686 -1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.074 -8.611 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.631 -8.327 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.171 -11.209 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.325 -10.823 -0.438 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.419 -5.717 0.522 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.693 -4.826 1.652 1.00 0.00 C ATOM 1383 C PRO A 90 -11.104 -5.349 2.958 1.00 0.00 C ATOM 1384 O PRO A 90 -11.128 -4.663 3.980 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.222 -4.805 1.726 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.648 -6.093 1.110 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.635 -6.398 0.042 1.00 0.00 C ATOM 0 HA PRO A 90 -11.246 -3.842 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.568 -4.726 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.633 -3.952 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.682 -6.889 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.649 -6.010 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.478 -7.471 -0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.950 -6.020 -0.931 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.574 -6.568 2.917 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.977 -7.181 4.096 1.00 0.00 C ATOM 1397 C VAL A 91 -8.454 -7.174 4.009 1.00 0.00 C ATOM 1398 O VAL A 91 -7.765 -7.492 4.978 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.463 -8.631 4.282 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.970 -8.668 4.483 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -10.055 -9.485 3.091 1.00 0.00 C ATOM 0 H VAL A 91 -10.546 -7.150 2.079 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.291 -6.587 4.954 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.992 -9.042 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.295 -9.700 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.233 -8.091 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.464 -8.239 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.406 -10.506 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.497 -9.077 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.969 -9.485 2.998 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.937 -6.810 2.842 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.496 -6.760 2.626 1.00 0.00 C ATOM 1413 C ASP A 92 -5.977 -5.330 2.747 1.00 0.00 C ATOM 1414 O ASP A 92 -4.903 -5.003 2.241 1.00 0.00 O ATOM 1415 CB ASP A 92 -6.144 -7.328 1.251 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.290 -8.837 1.193 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.818 -9.515 2.130 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.875 -9.339 0.211 1.00 0.00 O ATOM 0 H ASP A 92 -8.494 -6.545 2.030 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.018 -7.367 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.788 -6.874 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.119 -7.055 1.000 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.747 -4.482 3.419 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.367 -3.086 3.605 1.00 0.00 C ATOM 1425 C LEU A 93 -5.981 -2.816 5.055 1.00 0.00 C ATOM 1426 O LEU A 93 -6.042 -3.708 5.901 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.516 -2.164 3.191 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.975 -2.275 1.737 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.191 -1.396 1.492 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.843 -1.898 0.791 1.00 0.00 C ATOM 0 H LEU A 93 -7.638 -4.736 3.844 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.502 -2.884 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.370 -2.368 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.214 -1.134 3.378 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.256 -3.310 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.503 -1.488 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.005 -1.711 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.938 -0.357 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.187 -1.983 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.532 -0.872 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.999 -2.569 0.948 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.586 -1.579 5.337 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.191 -1.191 6.686 1.00 0.00 C ATOM 1444 C PHE A 94 -5.598 0.251 6.978 1.00 0.00 C ATOM 1445 O PHE A 94 -5.870 1.027 6.063 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.679 -1.351 6.864 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.872 -0.430 5.994 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.546 0.845 6.428 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.440 -0.839 4.742 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.804 1.696 5.631 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.696 0.007 3.941 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.379 1.276 4.386 1.00 0.00 C ATOM 0 H PHE A 94 -5.531 -0.828 4.649 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.704 -1.846 7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.423 -1.169 7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.402 -2.382 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.876 1.178 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.687 -1.829 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.557 2.687 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.363 -0.324 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.799 1.939 3.761 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.639 0.599 8.260 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.015 1.946 8.673 1.00 0.00 C ATOM 1464 C GLU A 95 -4.782 2.831 8.832 1.00 0.00 C ATOM 1465 O GLU A 95 -3.692 2.347 9.132 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.795 1.901 9.988 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.288 1.682 9.804 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.060 1.803 11.104 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.980 2.871 11.744 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.745 0.828 11.479 1.00 0.00 O ATOM 0 H GLU A 95 -5.417 -0.032 9.030 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.650 2.372 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.393 1.102 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.637 2.836 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.673 2.409 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.456 0.694 9.376 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.963 4.131 8.623 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.867 5.085 8.743 1.00 0.00 C ATOM 1479 C ALA A 96 -3.277 5.068 10.149 1.00 0.00 C ATOM 1480 O ALA A 96 -2.073 5.244 10.329 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.343 6.485 8.385 1.00 0.00 C ATOM 0 H ALA A 96 -5.859 4.548 8.370 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.084 4.791 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.514 7.186 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.710 6.493 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.146 6.780 9.060 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.133 4.855 11.143 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.695 4.817 12.534 1.00 0.00 C ATOM 1489 C ASN A 97 -2.798 3.610 12.789 1.00 0.00 C ATOM 1490 O ASN A 97 -1.759 3.723 13.441 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.906 4.773 13.470 1.00 0.00 C ATOM 1492 CG ASN A 97 -6.031 3.916 12.921 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.821 4.367 12.092 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.106 2.675 13.385 1.00 0.00 N ATOM 0 H ASN A 97 -5.133 4.706 11.012 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.122 5.722 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.598 4.385 14.441 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.272 5.787 13.634 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.842 2.051 13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.428 2.346 14.072 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.206 2.457 12.271 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.438 1.229 12.441 1.00 0.00 C ATOM 1503 C ASP A 98 -0.942 1.500 12.308 1.00 0.00 C ATOM 1504 O ASP A 98 -0.139 1.011 13.103 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.872 0.184 11.412 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.283 -0.314 11.652 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.748 -0.242 12.809 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.923 -0.775 10.684 1.00 0.00 O ATOM 0 H ASP A 98 -4.064 2.347 11.730 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.632 0.845 13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.807 0.614 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.182 -0.659 11.442 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.575 2.282 11.299 1.00 0.00 N ATOM 1514 CA LEU A 99 0.825 2.618 11.062 1.00 0.00 C ATOM 1515 C LEU A 99 1.231 3.853 11.860 1.00 0.00 C ATOM 1516 O LEU A 99 2.247 3.847 12.555 1.00 0.00 O ATOM 1517 CB LEU A 99 1.065 2.859 9.570 1.00 0.00 C ATOM 1518 CG LEU A 99 2.527 2.962 9.135 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.214 1.610 9.244 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.623 3.496 7.712 1.00 0.00 C ATOM 0 H LEU A 99 -1.227 2.695 10.632 1.00 0.00 H new ATOM 0 HA LEU A 99 1.436 1.778 11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.596 2.049 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.556 3.779 9.284 1.00 0.00 H new ATOM 0 HG LEU A 99 3.035 3.660 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.254 1.704 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.177 1.265 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.705 0.890 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.671 3.563 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.099 2.822 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.169 4.486 7.663 1.00 0.00 H new ATOM 1532 N PHE A 100 0.431 4.908 11.755 1.00 0.00 N ATOM 1533 CA PHE A 100 0.706 6.150 12.468 1.00 0.00 C ATOM 1534 C PHE A 100 1.060 5.873 13.927 1.00 0.00 C ATOM 1535 O PHE A 100 2.174 6.152 14.369 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.503 7.084 12.395 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.168 8.521 12.675 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.774 9.190 11.907 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.793 9.204 13.705 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.084 10.512 12.163 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.487 10.527 13.964 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.454 11.182 13.193 1.00 0.00 C ATOM 0 H PHE A 100 -0.413 4.928 11.183 1.00 0.00 H new ATOM 0 HA PHE A 100 1.559 6.632 11.990 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.950 7.010 11.404 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.255 6.749 13.109 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.271 8.672 11.100 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.528 8.697 14.313 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.819 11.021 11.557 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.983 11.049 14.769 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.696 12.215 13.395 1.00 0.00 H new ATOM 1552 N GLU A 101 0.103 5.321 14.667 1.00 0.00 N ATOM 1553 CA GLU A 101 0.315 5.008 16.076 1.00 0.00 C ATOM 1554 C GLU A 101 0.608 3.522 16.264 1.00 0.00 C ATOM 1555 O GLU A 101 0.173 2.912 17.241 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.914 5.405 16.898 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.244 6.886 16.822 1.00 0.00 C ATOM 1558 CD GLU A 101 -0.352 7.730 17.712 1.00 0.00 C ATOM 1559 OE1 GLU A 101 0.838 7.899 17.369 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -0.841 8.220 18.750 1.00 0.00 O ATOM 0 H GLU A 101 -0.824 5.082 14.316 1.00 0.00 H new ATOM 0 HA GLU A 101 1.177 5.577 16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.774 4.832 16.551 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.748 5.131 17.940 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.145 7.224 15.790 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.285 7.038 17.109 1.00 0.00 H new ATOM 1567 N SER A 102 1.348 2.947 15.322 1.00 0.00 N ATOM 1568 CA SER A 102 1.696 1.532 15.381 1.00 0.00 C ATOM 1569 C SER A 102 0.529 0.707 15.916 1.00 0.00 C ATOM 1570 O SER A 102 0.725 -0.345 16.523 1.00 0.00 O ATOM 1571 CB SER A 102 2.928 1.325 16.264 1.00 0.00 C ATOM 1572 OG SER A 102 2.643 1.627 17.618 1.00 0.00 O ATOM 0 H SER A 102 1.718 3.439 14.509 1.00 0.00 H new ATOM 0 HA SER A 102 1.922 1.196 14.369 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.268 0.293 16.183 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.742 1.958 15.911 1.00 0.00 H new ATOM 0 HG SER A 102 1.749 2.024 17.684 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.686 1.194 15.685 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.868 0.490 16.150 1.00 0.00 C ATOM 1580 C GLY A 103 -1.977 -0.906 15.570 1.00 0.00 C ATOM 1581 O GLY A 103 -2.722 -1.741 16.081 1.00 0.00 O ATOM 0 H GLY A 103 -0.874 2.063 15.185 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.845 0.427 17.238 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.757 1.062 15.882 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.231 -1.160 14.500 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.249 -2.465 13.848 1.00 0.00 C ATOM 1587 C ASN A 104 -0.225 -2.523 12.719 1.00 0.00 C ATOM 1588 O ASN A 104 -0.358 -1.829 11.712 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.646 -2.767 13.302 1.00 0.00 C ATOM 1590 CG ASN A 104 -2.955 -4.252 13.294 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.101 -5.076 13.620 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.180 -4.598 12.918 1.00 0.00 N ATOM 0 H ASN A 104 -0.607 -0.480 14.066 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.987 -3.218 14.591 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.389 -2.247 13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.729 -2.376 12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.446 -5.582 12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.855 -3.880 12.656 1.00 0.00 H new ATOM 1599 N MET A 105 0.795 -3.357 12.894 1.00 0.00 N ATOM 1600 CA MET A 105 1.840 -3.507 11.889 1.00 0.00 C ATOM 1601 C MET A 105 1.583 -4.731 11.014 1.00 0.00 C ATOM 1602 O MET A 105 2.211 -4.904 9.970 1.00 0.00 O ATOM 1603 CB MET A 105 3.211 -3.625 12.559 1.00 0.00 C ATOM 1604 CG MET A 105 3.907 -2.288 12.757 1.00 0.00 C ATOM 1605 SD MET A 105 4.963 -1.842 11.366 1.00 0.00 S ATOM 1606 CE MET A 105 3.736 -1.411 10.134 1.00 0.00 C ATOM 0 H MET A 105 0.920 -3.939 13.722 1.00 0.00 H new ATOM 0 HA MET A 105 1.828 -2.620 11.256 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.092 -4.111 13.528 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.848 -4.271 11.954 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.157 -1.511 12.903 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.507 -2.326 13.666 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.200 -0.806 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.328 -2.321 9.693 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.933 -0.843 10.604 1.00 0.00 H new ATOM 1616 N THR A 106 0.653 -5.576 11.448 1.00 0.00 N ATOM 1617 CA THR A 106 0.314 -6.784 10.706 1.00 0.00 C ATOM 1618 C THR A 106 -0.675 -6.481 9.586 1.00 0.00 C ATOM 1619 O THR A 106 -0.587 -7.051 8.499 1.00 0.00 O ATOM 1620 CB THR A 106 -0.290 -7.860 11.630 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.703 -7.668 11.748 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.351 -7.810 13.009 1.00 0.00 C ATOM 0 H THR A 106 0.122 -5.446 12.309 1.00 0.00 H new ATOM 0 HA THR A 106 1.242 -7.162 10.277 1.00 0.00 H new ATOM 0 HB THR A 106 -0.093 -8.838 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.881 -6.878 12.300 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.091 -8.578 13.644 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.423 -7.986 12.919 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.181 -6.830 13.454 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.614 -5.581 9.858 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.619 -5.204 8.871 1.00 0.00 C ATOM 1632 C GLN A 107 -1.991 -4.410 7.731 1.00 0.00 C ATOM 1633 O GLN A 107 -2.497 -4.409 6.609 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.728 -4.380 9.531 1.00 0.00 C ATOM 1635 CG GLN A 107 -5.085 -4.548 8.868 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.431 -6.001 8.606 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.954 -6.694 9.480 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.141 -6.470 7.399 1.00 0.00 N ATOM 0 H GLN A 107 -1.700 -5.099 10.753 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.049 -6.117 8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.807 -4.666 10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.449 -3.326 9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.852 -4.104 9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -5.095 -4.000 7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.708 -5.860 6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.351 -7.440 7.165 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.883 -3.737 8.025 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.184 -2.940 7.023 1.00 0.00 C ATOM 1649 C VAL A 108 0.868 -3.770 6.297 1.00 0.00 C ATOM 1650 O VAL A 108 1.135 -3.555 5.115 1.00 0.00 O ATOM 1651 CB VAL A 108 0.495 -1.711 7.657 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.183 -0.872 6.591 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.520 -0.881 8.427 1.00 0.00 C ATOM 0 H VAL A 108 -0.450 -3.728 8.949 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.934 -2.603 6.307 1.00 0.00 H new ATOM 0 HB VAL A 108 1.254 -2.058 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.657 -0.008 7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.940 -1.473 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.446 -0.532 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.024 -0.017 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.303 -0.542 7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.962 -1.488 9.217 1.00 0.00 H new ATOM 1663 N GLN A 109 1.462 -4.719 7.013 1.00 0.00 N ATOM 1664 CA GLN A 109 2.487 -5.582 6.436 1.00 0.00 C ATOM 1665 C GLN A 109 1.888 -6.508 5.382 1.00 0.00 C ATOM 1666 O GLN A 109 2.390 -6.595 4.261 1.00 0.00 O ATOM 1667 CB GLN A 109 3.164 -6.408 7.531 1.00 0.00 C ATOM 1668 CG GLN A 109 4.404 -7.148 7.055 1.00 0.00 C ATOM 1669 CD GLN A 109 5.422 -7.349 8.160 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.906 -6.387 8.757 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.753 -8.605 8.439 1.00 0.00 N ATOM 0 H GLN A 109 1.252 -4.910 7.993 1.00 0.00 H new ATOM 0 HA GLN A 109 3.232 -4.948 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.438 -5.749 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.449 -7.130 7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.112 -8.119 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.864 -6.591 6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.327 -9.372 7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.433 -8.802 9.173 1.00 0.00 H new ATOM 1680 N VAL A 110 0.812 -7.197 5.748 1.00 0.00 N ATOM 1681 CA VAL A 110 0.144 -8.115 4.834 1.00 0.00 C ATOM 1682 C VAL A 110 -0.371 -7.384 3.599 1.00 0.00 C ATOM 1683 O VAL A 110 -0.326 -7.912 2.488 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.033 -8.833 5.520 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.528 -9.760 6.615 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.020 -7.821 6.081 1.00 0.00 C ATOM 0 H VAL A 110 0.384 -7.137 6.672 1.00 0.00 H new ATOM 0 HA VAL A 110 0.885 -8.855 4.532 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.551 -9.437 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.374 -10.259 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.137 -10.507 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.015 -9.180 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.845 -8.346 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.517 -7.189 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.407 -7.202 5.271 1.00 0.00 H new ATOM 1696 N SER A 111 -0.859 -6.165 3.802 1.00 0.00 N ATOM 1697 CA SER A 111 -1.388 -5.361 2.705 1.00 0.00 C ATOM 1698 C SER A 111 -0.385 -5.283 1.557 1.00 0.00 C ATOM 1699 O SER A 111 -0.754 -5.391 0.387 1.00 0.00 O ATOM 1700 CB SER A 111 -1.728 -3.952 3.195 1.00 0.00 C ATOM 1701 OG SER A 111 -2.625 -3.306 2.307 1.00 0.00 O ATOM 0 H SER A 111 -0.899 -5.712 4.715 1.00 0.00 H new ATOM 0 HA SER A 111 -2.296 -5.841 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.172 -4.006 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.814 -3.365 3.285 1.00 0.00 H new ATOM 0 HG SER A 111 -3.439 -3.844 2.216 1.00 0.00 H new ATOM 1707 N LEU A 112 0.884 -5.096 1.901 1.00 0.00 N ATOM 1708 CA LEU A 112 1.942 -5.003 0.901 1.00 0.00 C ATOM 1709 C LEU A 112 2.223 -6.368 0.279 1.00 0.00 C ATOM 1710 O LEU A 112 2.344 -6.492 -0.941 1.00 0.00 O ATOM 1711 CB LEU A 112 3.220 -4.444 1.530 1.00 0.00 C ATOM 1712 CG LEU A 112 3.078 -3.106 2.259 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.352 -2.778 3.022 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.742 -1.996 1.274 1.00 0.00 C ATOM 0 H LEU A 112 1.206 -5.006 2.865 1.00 0.00 H new ATOM 0 HA LEU A 112 1.606 -4.327 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.607 -5.180 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.968 -4.330 0.745 1.00 0.00 H new ATOM 0 HG LEU A 112 2.261 -3.188 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.234 -1.823 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.549 -3.561 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.187 -2.714 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.645 -1.052 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.538 -1.913 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.802 -2.227 0.772 1.00 0.00 H new ATOM 1726 N LEU A 113 2.327 -7.387 1.124 1.00 0.00 N ATOM 1727 CA LEU A 113 2.591 -8.744 0.657 1.00 0.00 C ATOM 1728 C LEU A 113 1.513 -9.206 -0.317 1.00 0.00 C ATOM 1729 O LEU A 113 1.769 -10.021 -1.201 1.00 0.00 O ATOM 1730 CB LEU A 113 2.669 -9.706 1.843 1.00 0.00 C ATOM 1731 CG LEU A 113 3.976 -9.691 2.637 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.824 -10.474 3.931 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.115 -10.254 1.799 1.00 0.00 C ATOM 0 H LEU A 113 2.233 -7.300 2.136 1.00 0.00 H new ATOM 0 HA LEU A 113 3.548 -8.741 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.851 -9.476 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.503 -10.718 1.475 1.00 0.00 H new ATOM 0 HG LEU A 113 4.214 -8.658 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.764 -10.452 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.037 -10.025 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.561 -11.507 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.037 -10.236 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.885 -11.281 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.240 -9.649 0.901 1.00 0.00 H new ATOM 1745 N ALA A 114 0.306 -8.675 -0.149 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.812 -9.030 -1.016 1.00 0.00 C ATOM 1747 C ALA A 114 -0.846 -8.143 -2.258 1.00 0.00 C ATOM 1748 O ALA A 114 -1.117 -8.614 -3.362 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.125 -8.926 -0.255 1.00 0.00 C ATOM 0 H ALA A 114 0.077 -7.998 0.579 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.675 -10.061 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.950 -9.194 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.106 -9.605 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.260 -7.904 0.099 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.571 -6.857 -2.067 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.571 -5.904 -3.171 1.00 0.00 C ATOM 1757 C LEU A 115 0.530 -6.231 -4.175 1.00 0.00 C ATOM 1758 O LEU A 115 0.354 -6.062 -5.381 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.387 -4.480 -2.642 1.00 0.00 C ATOM 1760 CG LEU A 115 0.124 -3.450 -3.649 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -1.035 -2.816 -4.400 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.955 -2.385 -2.948 1.00 0.00 C ATOM 0 H LEU A 115 -0.345 -6.451 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.533 -5.976 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.344 -4.133 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.307 -4.513 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 115 0.760 -3.962 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.651 -2.086 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.588 -3.588 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.699 -2.319 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.310 -1.660 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.342 -1.877 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.808 -2.854 -2.458 1.00 0.00 H new ATOM 1774 N ALA A 116 1.664 -6.703 -3.667 1.00 0.00 N ATOM 1775 CA ALA A 116 2.793 -7.060 -4.519 1.00 0.00 C ATOM 1776 C ALA A 116 2.441 -8.227 -5.436 1.00 0.00 C ATOM 1777 O ALA A 116 2.643 -8.160 -6.647 1.00 0.00 O ATOM 1778 CB ALA A 116 4.008 -7.401 -3.670 1.00 0.00 C ATOM 0 H ALA A 116 1.826 -6.847 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 116 3.031 -6.200 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.843 -7.665 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.280 -6.539 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.773 -8.244 -3.020 1.00 0.00 H new ATOM 1784 N GLY A 117 1.915 -9.298 -4.849 1.00 0.00 N ATOM 1785 CA GLY A 117 1.545 -10.464 -5.627 1.00 0.00 C ATOM 1786 C GLY A 117 0.808 -10.101 -6.901 1.00 0.00 C ATOM 1787 O GLY A 117 0.759 -10.889 -7.846 1.00 0.00 O ATOM 0 H GLY A 117 1.739 -9.378 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.443 -11.029 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 117 0.917 -11.117 -5.021 1.00 0.00 H new ATOM 1791 N LYS A 118 0.230 -8.905 -6.928 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.509 -8.438 -8.095 1.00 0.00 C ATOM 1793 C LYS A 118 0.332 -7.470 -8.920 1.00 0.00 C ATOM 1794 O LYS A 118 0.295 -7.495 -10.150 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.810 -7.757 -7.661 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.632 -7.221 -8.821 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.749 -6.312 -8.338 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.907 -7.110 -7.760 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.647 -7.857 -8.815 1.00 0.00 N ATOM 0 H LYS A 118 0.259 -8.241 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.747 -9.303 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.413 -8.469 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.572 -6.936 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.984 -6.672 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.056 -8.053 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.362 -5.630 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.105 -5.700 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.529 -7.811 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.591 -6.436 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.576 -8.148 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.779 -7.245 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.104 -8.700 -9.089 1.00 0.00 H new ATOM 1813 N ALA A 119 1.091 -6.619 -8.237 1.00 0.00 N ATOM 1814 CA ALA A 119 1.944 -5.647 -8.908 1.00 0.00 C ATOM 1815 C ALA A 119 3.023 -6.340 -9.732 1.00 0.00 C ATOM 1816 O ALA A 119 3.525 -5.785 -10.709 1.00 0.00 O ATOM 1817 CB ALA A 119 2.575 -4.708 -7.890 1.00 0.00 C ATOM 0 H ALA A 119 1.132 -6.584 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 119 1.324 -5.064 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.210 -3.987 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.791 -4.179 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.177 -5.284 -7.187 1.00 0.00 H new