USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 33 ASN : amide:sc= -0.297 X(o=-0.29,f=-0.32) USER MOD Set 1.2: A 110 CYS SG : rot 20:sc= 0.00506 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 THR OG1 : rot 110:sc= -0.936 USER MOD Set 3.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 95 TYR OH : rot 167:sc= -0.0214 USER MOD Set 4.1: A 87 THR OG1 : rot -124:sc= 1.08 USER MOD Set 4.2: A 89 GLN :FLIP amide:sc= 0.995 F(o=-0.46,f=2.1) USER MOD Set 5.1: A 67 TYR OH : rot -103:sc= 1.13 USER MOD Set 5.2: A 103 CYS SG : rot -52:sc= -0.313 USER MOD Set 6.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 45 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -58:sc= 0.815 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 0.921 (180deg=0.0307) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -52:sc= 0.92 USER MOD Single : A 46 ASN :FLIP amide:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 0.918 (180deg=0.109) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 59 THR OG1 : rot -40:sc= 0.165 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.054) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0948 K(o=-0.095,f=-2.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0853 K(o=-0.085,f=-0.89) USER MOD Single : A 94 HIS : no HD1:sc= -0.0653 K(o=-0.065,f=-0.57) USER MOD Single : A 96 SER OG : rot 75:sc= 0.25 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0707 K(o=-0.071,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 2.501 1.258 -15.283 1.00 0.00 N ATOM 172 CA LYS A 13 2.607 2.285 -14.259 1.00 0.00 C ATOM 173 C LYS A 13 2.028 1.824 -12.988 1.00 0.00 C ATOM 174 O LYS A 13 2.741 1.672 -12.014 1.00 0.00 O ATOM 175 CB LYS A 13 2.017 3.590 -14.674 1.00 0.00 C ATOM 176 CG LYS A 13 2.693 3.995 -15.914 1.00 0.00 C ATOM 177 CD LYS A 13 4.178 3.834 -16.121 1.00 0.00 C ATOM 178 CE LYS A 13 4.627 4.513 -17.433 1.00 0.00 C ATOM 179 NZ LYS A 13 5.741 3.772 -18.022 1.00 0.00 N ATOM 0 HA LYS A 13 3.672 2.464 -14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.943 3.494 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.157 4.341 -13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.205 3.454 -16.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.472 5.053 -16.058 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.716 4.269 -15.279 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.433 2.775 -16.149 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.794 4.553 -18.135 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.927 5.542 -17.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.038 4.235 -18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.538 3.756 -17.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.440 2.798 -18.226 1.00 0.00 H new ATOM 193 N TRP A 14 0.717 1.502 -13.072 1.00 0.00 N ATOM 194 CA TRP A 14 0.096 1.075 -11.852 1.00 0.00 C ATOM 195 C TRP A 14 0.387 -0.422 -11.721 1.00 0.00 C ATOM 196 O TRP A 14 0.609 -0.901 -10.629 1.00 0.00 O ATOM 197 CB TRP A 14 -1.394 1.439 -11.782 1.00 0.00 C ATOM 198 CG TRP A 14 -2.421 0.616 -12.544 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.245 1.125 -13.548 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.891 -0.728 -12.288 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.176 0.203 -13.893 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.002 -0.952 -13.139 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.487 -1.724 -11.438 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.662 -2.155 -13.085 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.139 -2.950 -11.413 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.227 -3.163 -12.238 1.00 0.00 C ATOM 0 H TRP A 14 0.131 1.532 -13.907 1.00 0.00 H new ATOM 0 HA TRP A 14 0.510 1.604 -10.994 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.682 1.421 -10.731 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.491 2.470 -12.121 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.154 2.108 -13.985 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.898 0.337 -14.601 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.649 -1.553 -10.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.529 -2.318 -13.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.797 -3.733 -10.752 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.738 -4.114 -12.223 1.00 0.00 H new ATOM 217 N PHE A 15 0.398 -1.146 -12.867 1.00 0.00 N ATOM 218 CA PHE A 15 0.747 -2.566 -12.801 1.00 0.00 C ATOM 219 C PHE A 15 2.276 -2.736 -12.985 1.00 0.00 C ATOM 220 O PHE A 15 2.743 -3.043 -14.072 1.00 0.00 O ATOM 221 CB PHE A 15 -0.045 -3.363 -13.848 1.00 0.00 C ATOM 222 CG PHE A 15 -0.013 -4.854 -13.604 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.315 -5.382 -12.347 1.00 0.00 C ATOM 224 CD2 PHE A 15 0.311 -5.728 -14.641 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.294 -6.758 -12.151 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.331 -7.103 -14.439 1.00 0.00 C ATOM 227 CZ PHE A 15 0.025 -7.618 -13.191 1.00 0.00 C ATOM 0 H PHE A 15 0.180 -0.786 -13.796 1.00 0.00 H new ATOM 0 HA PHE A 15 0.477 -2.961 -11.822 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.081 -3.023 -13.848 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.360 -3.154 -14.838 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.564 -4.723 -11.529 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.550 -5.330 -15.616 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.529 -7.162 -11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.584 -7.767 -15.252 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.035 -8.686 -13.028 1.00 0.00 H new ATOM 237 N PHE A 16 3.029 -2.524 -11.881 1.00 0.00 N ATOM 238 CA PHE A 16 4.498 -2.668 -11.919 1.00 0.00 C ATOM 239 C PHE A 16 4.865 -4.059 -11.348 1.00 0.00 C ATOM 240 O PHE A 16 4.132 -4.626 -10.552 1.00 0.00 O ATOM 241 CB PHE A 16 5.170 -1.514 -11.107 1.00 0.00 C ATOM 242 CG PHE A 16 6.071 -0.634 -11.950 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.567 0.078 -13.038 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.431 -0.525 -11.666 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.394 0.869 -13.829 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.262 0.252 -12.468 1.00 0.00 C ATOM 247 CZ PHE A 16 7.744 0.943 -13.546 1.00 0.00 C ATOM 0 H PHE A 16 2.651 -2.258 -10.972 1.00 0.00 H new ATOM 0 HA PHE A 16 4.865 -2.598 -12.943 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.393 -0.898 -10.653 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.753 -1.944 -10.292 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.514 0.014 -13.271 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.844 -1.048 -10.816 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.983 1.422 -14.660 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.317 0.315 -12.246 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.394 1.541 -14.167 1.00 0.00 H new ATOM 257 N ARG A 17 6.062 -4.546 -11.725 1.00 0.00 N ATOM 258 CA ARG A 17 6.537 -5.851 -11.228 1.00 0.00 C ATOM 259 C ARG A 17 7.031 -5.776 -9.799 1.00 0.00 C ATOM 260 O ARG A 17 6.542 -4.955 -9.044 1.00 0.00 O ATOM 261 CB ARG A 17 7.615 -6.437 -12.180 1.00 0.00 C ATOM 262 CG ARG A 17 7.042 -7.195 -13.363 1.00 0.00 C ATOM 263 CD ARG A 17 8.141 -7.984 -14.086 1.00 0.00 C ATOM 264 NE ARG A 17 7.852 -8.106 -15.515 1.00 0.00 N ATOM 265 CZ ARG A 17 8.806 -8.455 -16.410 1.00 0.00 C ATOM 266 NH1 ARG A 17 10.045 -8.728 -16.016 1.00 0.00 N ATOM 267 NH2 ARG A 17 8.511 -8.525 -17.701 1.00 0.00 N ATOM 0 H ARG A 17 6.705 -4.069 -12.357 1.00 0.00 H new ATOM 0 HA ARG A 17 5.685 -6.531 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.240 -5.624 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.263 -7.105 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.263 -7.877 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.573 -6.497 -14.056 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.101 -7.486 -13.948 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.230 -8.977 -13.644 1.00 0.00 H new ATOM 0 HE ARG A 17 6.905 -7.923 -15.846 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.289 -8.676 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.753 -8.990 -16.703 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.565 -8.316 -18.020 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.230 -8.788 -18.375 1.00 0.00 H new ATOM 281 N THR A 18 7.928 -6.699 -9.414 1.00 0.00 N ATOM 282 CA THR A 18 8.453 -6.644 -8.068 1.00 0.00 C ATOM 283 C THR A 18 9.754 -5.843 -8.098 1.00 0.00 C ATOM 284 O THR A 18 10.862 -6.360 -8.037 1.00 0.00 O ATOM 285 CB THR A 18 8.799 -8.019 -7.419 1.00 0.00 C ATOM 286 OG1 THR A 18 9.868 -8.030 -6.407 1.00 0.00 O ATOM 287 CG2 THR A 18 8.902 -9.160 -8.461 1.00 0.00 C ATOM 0 H THR A 18 8.284 -7.456 -9.998 1.00 0.00 H new ATOM 0 HA THR A 18 7.657 -6.201 -7.469 1.00 0.00 H new ATOM 0 HB THR A 18 7.924 -8.230 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.693 -7.676 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.145 -10.094 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.950 -9.266 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.684 -8.924 -9.182 1.00 0.00 H new ATOM 295 N ILE A 19 9.536 -4.534 -8.282 1.00 0.00 N ATOM 296 CA ILE A 19 10.659 -3.616 -8.244 1.00 0.00 C ATOM 297 C ILE A 19 11.080 -3.503 -6.775 1.00 0.00 C ATOM 298 O ILE A 19 10.327 -3.870 -5.876 1.00 0.00 O ATOM 299 CB ILE A 19 10.208 -2.255 -8.782 1.00 0.00 C ATOM 300 CG1 ILE A 19 11.371 -1.416 -9.300 1.00 0.00 C ATOM 301 CG2 ILE A 19 9.277 -1.506 -7.828 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.891 -0.031 -9.758 1.00 0.00 C ATOM 0 H ILE A 19 8.625 -4.108 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 19 11.493 -3.962 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 19 9.591 -2.463 -9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 19 12.120 -1.304 -8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.853 -1.931 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.995 -0.550 -8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.382 -2.102 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.789 -1.331 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.741 0.546 -10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.160 -0.146 -10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.431 0.491 -8.919 1.00 0.00 H new ATOM 314 N SER A 20 12.312 -2.984 -6.565 1.00 0.00 N ATOM 315 CA SER A 20 12.730 -2.816 -5.174 1.00 0.00 C ATOM 316 C SER A 20 11.789 -1.795 -4.523 1.00 0.00 C ATOM 317 O SER A 20 11.185 -0.947 -5.162 1.00 0.00 O ATOM 318 CB SER A 20 14.213 -2.315 -5.089 1.00 0.00 C ATOM 319 OG SER A 20 15.067 -2.409 -3.873 1.00 0.00 O ATOM 0 H SER A 20 12.979 -2.698 -7.282 1.00 0.00 H new ATOM 0 HA SER A 20 12.679 -3.773 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.754 -2.837 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.191 -1.260 -5.362 1.00 0.00 H new ATOM 0 HG SER A 20 15.951 -2.033 -4.065 1.00 0.00 H new ATOM 325 N ARG A 21 11.783 -1.881 -3.198 1.00 0.00 N ATOM 326 CA ARG A 21 10.918 -1.008 -2.424 1.00 0.00 C ATOM 327 C ARG A 21 11.254 0.463 -2.685 1.00 0.00 C ATOM 328 O ARG A 21 10.431 1.269 -3.099 1.00 0.00 O ATOM 329 CB ARG A 21 11.037 -1.359 -0.939 1.00 0.00 C ATOM 330 CG ARG A 21 10.057 -0.520 -0.106 1.00 0.00 C ATOM 331 CD ARG A 21 9.365 -1.328 0.997 1.00 0.00 C ATOM 332 NE ARG A 21 10.255 -1.525 2.135 1.00 0.00 N ATOM 333 CZ ARG A 21 10.545 -0.516 2.985 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.015 0.692 2.818 1.00 0.00 N ATOM 335 NH2 ARG A 21 11.366 -0.729 4.001 1.00 0.00 N ATOM 0 H ARG A 21 12.351 -2.528 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 21 9.884 -1.159 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.832 -2.419 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.057 -1.182 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.594 0.314 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.301 -0.094 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.463 -0.809 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.053 -2.295 0.603 1.00 0.00 H new ATOM 0 HE ARG A 21 10.667 -2.444 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.380 0.867 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.244 1.444 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.777 -1.652 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.588 0.030 4.645 1.00 0.00 H new ATOM 349 N LYS A 22 12.534 0.741 -2.391 1.00 0.00 N ATOM 350 CA LYS A 22 13.054 2.091 -2.606 1.00 0.00 C ATOM 351 C LYS A 22 13.000 2.519 -4.062 1.00 0.00 C ATOM 352 O LYS A 22 13.070 3.704 -4.365 1.00 0.00 O ATOM 353 CB LYS A 22 14.474 2.270 -2.057 1.00 0.00 C ATOM 354 CG LYS A 22 15.422 1.143 -2.425 1.00 0.00 C ATOM 355 CD LYS A 22 15.927 1.178 -3.842 1.00 0.00 C ATOM 356 CE LYS A 22 17.459 1.155 -3.931 1.00 0.00 C ATOM 357 NZ LYS A 22 17.916 0.665 -5.223 1.00 0.00 N ATOM 0 H LYS A 22 13.205 0.071 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 22 12.388 2.744 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.881 3.210 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.426 2.351 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.277 1.171 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.915 0.192 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.524 0.325 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.553 2.076 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.848 2.159 -3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.860 0.522 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.690 1.267 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.256 -0.313 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.129 0.689 -5.902 1.00 0.00 H new ATOM 371 N ASP A 23 12.856 1.491 -4.937 1.00 0.00 N ATOM 372 CA ASP A 23 12.844 1.809 -6.351 1.00 0.00 C ATOM 373 C ASP A 23 11.501 2.395 -6.782 1.00 0.00 C ATOM 374 O ASP A 23 11.408 3.484 -7.308 1.00 0.00 O ATOM 375 CB ASP A 23 13.149 0.589 -7.260 1.00 0.00 C ATOM 376 CG ASP A 23 14.655 0.283 -7.384 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.460 0.922 -6.712 1.00 0.00 O ATOM 378 OD2 ASP A 23 15.019 -0.582 -8.175 1.00 0.00 O ATOM 0 H ASP A 23 12.754 0.506 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 23 13.640 2.543 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.639 -0.288 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.740 0.773 -8.253 1.00 0.00 H new ATOM 383 N ALA A 24 10.468 1.595 -6.553 1.00 0.00 N ATOM 384 CA ALA A 24 9.086 1.978 -6.885 1.00 0.00 C ATOM 385 C ALA A 24 8.755 3.381 -6.323 1.00 0.00 C ATOM 386 O ALA A 24 8.184 4.233 -6.992 1.00 0.00 O ATOM 387 CB ALA A 24 8.157 0.920 -6.273 1.00 0.00 C ATOM 0 H ALA A 24 10.554 0.668 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 24 8.955 2.025 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.121 1.171 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.393 -0.058 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.297 0.895 -5.192 1.00 0.00 H new ATOM 393 N GLU A 25 9.172 3.559 -5.057 1.00 0.00 N ATOM 394 CA GLU A 25 8.941 4.820 -4.380 1.00 0.00 C ATOM 395 C GLU A 25 9.715 5.965 -5.055 1.00 0.00 C ATOM 396 O GLU A 25 9.259 7.092 -5.060 1.00 0.00 O ATOM 397 CB GLU A 25 9.338 4.727 -2.911 1.00 0.00 C ATOM 398 CG GLU A 25 8.463 3.770 -2.092 1.00 0.00 C ATOM 399 CD GLU A 25 8.560 4.106 -0.593 1.00 0.00 C ATOM 400 OE1 GLU A 25 9.636 4.487 -0.124 1.00 0.00 O ATOM 401 OE2 GLU A 25 7.552 3.996 0.096 1.00 0.00 O ATOM 0 H GLU A 25 9.659 2.855 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 25 7.875 5.035 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.376 4.402 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.287 5.721 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.426 3.843 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.780 2.741 -2.262 1.00 0.00 H new ATOM 408 N ARG A 26 10.877 5.629 -5.678 1.00 0.00 N ATOM 409 CA ARG A 26 11.699 6.673 -6.292 1.00 0.00 C ATOM 410 C ARG A 26 10.932 7.297 -7.499 1.00 0.00 C ATOM 411 O ARG A 26 11.127 8.463 -7.841 1.00 0.00 O ATOM 412 CB ARG A 26 13.036 6.068 -6.828 1.00 0.00 C ATOM 413 CG ARG A 26 13.069 5.445 -8.239 1.00 0.00 C ATOM 414 CD ARG A 26 14.001 4.238 -8.389 1.00 0.00 C ATOM 415 NE ARG A 26 14.932 4.444 -9.494 1.00 0.00 N ATOM 416 CZ ARG A 26 15.888 3.538 -9.782 1.00 0.00 C ATOM 417 NH1 ARG A 26 16.000 2.433 -9.065 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.733 3.742 -10.780 1.00 0.00 N ATOM 0 H ARG A 26 11.243 4.680 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 26 11.912 7.431 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.787 6.857 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.354 5.300 -6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.058 5.141 -8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.373 6.211 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.555 4.082 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.413 3.337 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 26 14.858 5.290 -10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.361 2.262 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.725 1.752 -9.288 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.665 4.592 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.452 3.050 -10.989 1.00 0.00 H new ATOM 432 N GLN A 27 10.043 6.447 -8.042 1.00 0.00 N ATOM 433 CA GLN A 27 9.251 6.865 -9.204 1.00 0.00 C ATOM 434 C GLN A 27 8.121 7.829 -8.822 1.00 0.00 C ATOM 435 O GLN A 27 7.964 8.895 -9.406 1.00 0.00 O ATOM 436 CB GLN A 27 8.670 5.650 -9.951 1.00 0.00 C ATOM 437 CG GLN A 27 9.743 4.627 -10.353 1.00 0.00 C ATOM 438 CD GLN A 27 9.315 3.796 -11.580 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.155 3.742 -11.968 1.00 0.00 O ATOM 440 NE2 GLN A 27 10.349 3.184 -12.182 1.00 0.00 N ATOM 0 H GLN A 27 9.861 5.501 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 27 9.935 7.395 -9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.928 5.162 -9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.150 5.994 -10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.675 5.147 -10.574 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.941 3.960 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.290 3.276 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.193 2.628 -13.023 1.00 0.00 H new ATOM 449 N LEU A 28 7.310 7.356 -7.855 1.00 0.00 N ATOM 450 CA LEU A 28 6.205 8.174 -7.381 1.00 0.00 C ATOM 451 C LEU A 28 6.694 9.494 -6.761 1.00 0.00 C ATOM 452 O LEU A 28 6.144 10.551 -7.028 1.00 0.00 O ATOM 453 CB LEU A 28 5.327 7.379 -6.425 1.00 0.00 C ATOM 454 CG LEU A 28 4.880 6.096 -7.101 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.269 5.186 -6.073 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.882 6.383 -8.205 1.00 0.00 C ATOM 0 H LEU A 28 7.402 6.444 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 28 5.594 8.450 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.878 7.150 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.459 7.971 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 28 5.747 5.613 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.945 4.262 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.007 4.957 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.410 5.678 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.578 5.447 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.007 6.879 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.342 7.030 -8.952 1.00 0.00 H new ATOM 468 N LEU A 29 7.769 9.367 -5.940 1.00 0.00 N ATOM 469 CA LEU A 29 8.347 10.523 -5.262 1.00 0.00 C ATOM 470 C LEU A 29 9.049 11.484 -6.237 1.00 0.00 C ATOM 471 O LEU A 29 9.524 12.537 -5.829 1.00 0.00 O ATOM 472 CB LEU A 29 9.401 10.025 -4.263 1.00 0.00 C ATOM 473 CG LEU A 29 8.811 9.183 -3.130 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.919 8.375 -2.455 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.084 10.070 -2.114 1.00 0.00 C ATOM 0 H LEU A 29 8.237 8.482 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 29 7.533 11.059 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.146 9.434 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.921 10.883 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 29 8.079 8.492 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.494 7.777 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.387 7.717 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.668 9.054 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.673 9.449 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.786 10.787 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.275 10.605 -2.611 1.00 0.00 H new ATOM 487 N ALA A 30 9.100 11.089 -7.528 1.00 0.00 N ATOM 488 CA ALA A 30 9.707 11.951 -8.530 1.00 0.00 C ATOM 489 C ALA A 30 8.856 13.228 -8.670 1.00 0.00 C ATOM 490 O ALA A 30 7.638 13.188 -8.538 1.00 0.00 O ATOM 491 CB ALA A 30 9.858 11.237 -9.881 1.00 0.00 C ATOM 0 H ALA A 30 8.736 10.204 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 30 10.713 12.215 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.315 11.915 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.490 10.357 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.876 10.931 -10.243 1.00 0.00 H new ATOM 497 N PRO A 31 9.544 14.370 -8.947 1.00 0.00 N ATOM 498 CA PRO A 31 8.855 15.645 -9.113 1.00 0.00 C ATOM 499 C PRO A 31 7.954 15.727 -10.360 1.00 0.00 C ATOM 500 O PRO A 31 7.254 16.712 -10.569 1.00 0.00 O ATOM 501 CB PRO A 31 9.993 16.673 -9.273 1.00 0.00 C ATOM 502 CG PRO A 31 11.304 15.898 -9.377 1.00 0.00 C ATOM 503 CD PRO A 31 10.993 14.466 -9.008 1.00 0.00 C ATOM 0 HA PRO A 31 8.191 15.809 -8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.837 17.282 -10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.017 17.353 -8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.710 15.958 -10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.055 16.316 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.398 13.776 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.441 14.205 -8.050 1.00 0.00 H new ATOM 511 N MET A 32 8.008 14.643 -11.161 1.00 0.00 N ATOM 512 CA MET A 32 7.203 14.536 -12.354 1.00 0.00 C ATOM 513 C MET A 32 5.726 14.235 -12.050 1.00 0.00 C ATOM 514 O MET A 32 4.849 14.546 -12.847 1.00 0.00 O ATOM 515 CB MET A 32 7.817 13.423 -13.190 1.00 0.00 C ATOM 516 CG MET A 32 8.941 13.930 -14.091 1.00 0.00 C ATOM 517 SD MET A 32 9.429 12.682 -15.294 1.00 0.00 S ATOM 518 CE MET A 32 10.616 11.788 -14.282 1.00 0.00 C ATOM 0 H MET A 32 8.608 13.837 -10.986 1.00 0.00 H new ATOM 0 HA MET A 32 7.202 15.488 -12.884 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.205 12.647 -12.530 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.042 12.962 -13.803 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.615 14.831 -14.611 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.801 14.207 -13.482 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.037 10.963 -14.857 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.416 12.463 -13.977 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.116 11.395 -13.397 1.00 0.00 H new ATOM 528 N ASN A 33 5.500 13.644 -10.851 1.00 0.00 N ATOM 529 CA ASN A 33 4.126 13.318 -10.474 1.00 0.00 C ATOM 530 C ASN A 33 3.896 13.574 -8.964 1.00 0.00 C ATOM 531 O ASN A 33 4.779 14.021 -8.240 1.00 0.00 O ATOM 532 CB ASN A 33 3.835 11.846 -10.833 1.00 0.00 C ATOM 533 CG ASN A 33 4.001 11.523 -12.320 1.00 0.00 C ATOM 534 OD1 ASN A 33 5.066 11.188 -12.815 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.831 11.611 -12.974 1.00 0.00 N ATOM 0 H ASN A 33 6.217 13.399 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 33 3.440 13.962 -11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.500 11.204 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.816 11.604 -10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.784 11.388 -13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.989 11.901 -12.476 1.00 0.00 H new ATOM 542 N LYS A 34 2.653 13.250 -8.546 1.00 0.00 N ATOM 543 CA LYS A 34 2.221 13.459 -7.169 1.00 0.00 C ATOM 544 C LYS A 34 1.166 12.415 -6.784 1.00 0.00 C ATOM 545 O LYS A 34 0.928 11.479 -7.533 1.00 0.00 O ATOM 546 CB LYS A 34 1.701 14.899 -7.028 1.00 0.00 C ATOM 547 CG LYS A 34 0.704 15.321 -8.118 1.00 0.00 C ATOM 548 CD LYS A 34 -0.557 14.447 -8.177 1.00 0.00 C ATOM 549 CE LYS A 34 -1.692 15.099 -8.956 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.583 14.095 -9.504 1.00 0.00 N ATOM 0 H LYS A 34 1.940 12.843 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 34 3.056 13.330 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.224 15.007 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.550 15.583 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.409 16.356 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.203 15.288 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.309 13.491 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.894 14.235 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.250 15.769 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.283 15.708 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.349 14.561 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.051 13.472 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.989 13.531 -8.730 1.00 0.00 H new ATOM 564 N ALA A 35 0.452 12.710 -5.661 1.00 0.00 N ATOM 565 CA ALA A 35 -0.603 11.856 -5.124 1.00 0.00 C ATOM 566 C ALA A 35 -1.556 11.404 -6.239 1.00 0.00 C ATOM 567 O ALA A 35 -2.419 12.151 -6.686 1.00 0.00 O ATOM 568 CB ALA A 35 -1.358 12.601 -3.999 1.00 0.00 C ATOM 0 H ALA A 35 0.607 13.556 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.154 10.959 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.144 11.959 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.661 12.857 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.802 13.512 -4.400 1.00 0.00 H new ATOM 574 N GLY A 36 -1.359 10.122 -6.636 1.00 0.00 N ATOM 575 CA GLY A 36 -2.165 9.613 -7.735 1.00 0.00 C ATOM 576 C GLY A 36 -1.401 8.685 -8.654 1.00 0.00 C ATOM 577 O GLY A 36 -1.933 7.807 -9.297 1.00 0.00 O ATOM 0 H GLY A 36 -0.688 9.469 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.027 9.084 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.549 10.452 -8.314 1.00 0.00 H new ATOM 581 N SER A 37 -0.126 9.046 -8.779 1.00 0.00 N ATOM 582 CA SER A 37 0.767 8.183 -9.508 1.00 0.00 C ATOM 583 C SER A 37 0.859 6.925 -8.616 1.00 0.00 C ATOM 584 O SER A 37 1.014 7.040 -7.409 1.00 0.00 O ATOM 585 CB SER A 37 2.136 8.865 -9.784 1.00 0.00 C ATOM 586 OG SER A 37 2.708 9.762 -8.738 1.00 0.00 O ATOM 0 H SER A 37 0.289 9.896 -8.398 1.00 0.00 H new ATOM 0 HA SER A 37 0.413 7.936 -10.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.865 8.078 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.038 9.446 -10.701 1.00 0.00 H new ATOM 0 HG SER A 37 2.038 10.427 -8.475 1.00 0.00 H new ATOM 592 N PHE A 38 0.779 5.746 -9.289 1.00 0.00 N ATOM 593 CA PHE A 38 0.784 4.508 -8.506 1.00 0.00 C ATOM 594 C PHE A 38 1.714 3.473 -9.181 1.00 0.00 C ATOM 595 O PHE A 38 2.211 3.658 -10.272 1.00 0.00 O ATOM 596 CB PHE A 38 -0.580 3.770 -8.545 1.00 0.00 C ATOM 597 CG PHE A 38 -1.776 4.630 -8.716 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.253 5.379 -7.671 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.430 4.644 -9.949 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.392 6.137 -7.836 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.570 5.389 -10.119 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.047 6.113 -9.058 1.00 0.00 C ATOM 0 H PHE A 38 0.715 5.638 -10.301 1.00 0.00 H new ATOM 0 HA PHE A 38 1.069 4.811 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.557 3.047 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.692 3.204 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.738 5.375 -6.722 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.037 4.066 -10.773 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.769 6.742 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.081 5.404 -11.070 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.958 6.681 -9.177 1.00 0.00 H new ATOM 612 N LEU A 39 1.820 2.353 -8.405 1.00 0.00 N ATOM 613 CA LEU A 39 2.583 1.164 -8.753 1.00 0.00 C ATOM 614 C LEU A 39 1.948 0.030 -7.972 1.00 0.00 C ATOM 615 O LEU A 39 1.453 0.304 -6.895 1.00 0.00 O ATOM 616 CB LEU A 39 4.060 1.188 -8.423 1.00 0.00 C ATOM 617 CG LEU A 39 4.684 2.549 -8.462 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.851 2.548 -7.462 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.056 2.968 -9.911 1.00 0.00 C ATOM 0 H LEU A 39 1.356 2.273 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 39 2.547 1.069 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.204 0.765 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.586 0.541 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 39 3.980 3.322 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.332 3.526 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.474 2.330 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.576 1.787 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.506 3.961 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.766 2.253 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.157 2.985 -10.527 1.00 0.00 H new ATOM 631 N ILE A 40 1.995 -1.240 -8.490 1.00 0.00 N ATOM 632 CA ILE A 40 1.380 -2.223 -7.617 1.00 0.00 C ATOM 633 C ILE A 40 2.459 -3.316 -7.750 1.00 0.00 C ATOM 634 O ILE A 40 2.424 -4.123 -8.665 1.00 0.00 O ATOM 635 CB ILE A 40 -0.088 -2.519 -8.093 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.023 -2.913 -6.952 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.249 -3.754 -8.977 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.438 -2.386 -7.273 1.00 0.00 C ATOM 0 H ILE A 40 2.394 -1.552 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 40 1.180 -1.991 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.319 -1.580 -8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.040 -3.996 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.668 -2.495 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.297 -3.871 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.351 -3.636 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.084 -4.637 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.119 -2.659 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.408 -1.301 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.787 -2.826 -8.208 1.00 0.00 H new ATOM 650 N ARG A 41 3.416 -3.296 -6.795 1.00 0.00 N ATOM 651 CA ARG A 41 4.501 -4.239 -6.949 1.00 0.00 C ATOM 652 C ARG A 41 4.136 -5.516 -6.213 1.00 0.00 C ATOM 653 O ARG A 41 3.355 -5.509 -5.272 1.00 0.00 O ATOM 654 CB ARG A 41 5.761 -3.582 -6.340 1.00 0.00 C ATOM 655 CG ARG A 41 5.902 -3.707 -4.815 1.00 0.00 C ATOM 656 CD ARG A 41 6.596 -5.017 -4.392 1.00 0.00 C ATOM 657 NE ARG A 41 7.732 -4.743 -3.525 1.00 0.00 N ATOM 658 CZ ARG A 41 7.578 -4.498 -2.210 1.00 0.00 C ATOM 659 NH1 ARG A 41 6.373 -4.506 -1.653 1.00 0.00 N ATOM 660 NH2 ARG A 41 8.638 -4.245 -1.460 1.00 0.00 N ATOM 0 H ARG A 41 3.449 -2.684 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 41 4.687 -4.489 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.641 -4.025 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.760 -2.524 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.472 -2.859 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.914 -3.658 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.884 -5.660 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.930 -5.559 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 41 8.671 -4.736 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.549 -4.699 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.271 -4.319 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.568 -4.236 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.525 -4.059 -0.463 1.00 0.00 H new ATOM 674 N GLU A 42 4.767 -6.601 -6.698 1.00 0.00 N ATOM 675 CA GLU A 42 4.493 -7.898 -6.109 1.00 0.00 C ATOM 676 C GLU A 42 5.494 -8.213 -5.027 1.00 0.00 C ATOM 677 O GLU A 42 6.675 -7.942 -5.156 1.00 0.00 O ATOM 678 CB GLU A 42 4.453 -8.992 -7.193 1.00 0.00 C ATOM 679 CG GLU A 42 5.807 -9.484 -7.697 1.00 0.00 C ATOM 680 CD GLU A 42 5.674 -10.621 -8.731 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.636 -10.730 -9.380 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.621 -11.391 -8.872 1.00 0.00 O ATOM 0 H GLU A 42 5.440 -6.598 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 42 3.508 -7.868 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.902 -9.846 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.887 -8.612 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.349 -8.651 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.401 -9.833 -6.852 1.00 0.00 H new ATOM 689 N SER A 43 4.975 -8.834 -3.957 1.00 0.00 N ATOM 690 CA SER A 43 5.931 -9.218 -2.924 1.00 0.00 C ATOM 691 C SER A 43 6.623 -10.480 -3.493 1.00 0.00 C ATOM 692 O SER A 43 5.946 -11.460 -3.779 1.00 0.00 O ATOM 693 CB SER A 43 5.168 -9.465 -1.607 1.00 0.00 C ATOM 694 OG SER A 43 6.026 -9.333 -0.393 1.00 0.00 O ATOM 0 H SER A 43 3.994 -9.062 -3.794 1.00 0.00 H new ATOM 0 HA SER A 43 6.678 -8.460 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.341 -8.759 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.733 -10.464 -1.629 1.00 0.00 H new ATOM 0 HG SER A 43 5.487 -9.499 0.408 1.00 0.00 H new ATOM 700 N GLU A 44 7.952 -10.370 -3.730 1.00 0.00 N ATOM 701 CA GLU A 44 8.732 -11.475 -4.288 1.00 0.00 C ATOM 702 C GLU A 44 9.038 -12.581 -3.241 1.00 0.00 C ATOM 703 O GLU A 44 10.170 -13.019 -3.069 1.00 0.00 O ATOM 704 CB GLU A 44 10.040 -10.976 -4.901 1.00 0.00 C ATOM 705 CG GLU A 44 10.900 -10.172 -3.901 1.00 0.00 C ATOM 706 CD GLU A 44 12.412 -10.284 -4.187 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.896 -9.612 -5.097 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.092 -11.040 -3.488 1.00 0.00 O ATOM 0 H GLU A 44 8.494 -9.527 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 44 8.112 -11.916 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.614 -11.828 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.816 -10.351 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.605 -9.123 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.699 -10.526 -2.890 1.00 0.00 H new ATOM 715 N SER A 45 7.967 -12.991 -2.560 1.00 0.00 N ATOM 716 CA SER A 45 8.015 -14.016 -1.533 1.00 0.00 C ATOM 717 C SER A 45 6.744 -14.886 -1.605 1.00 0.00 C ATOM 718 O SER A 45 6.795 -16.097 -1.434 1.00 0.00 O ATOM 719 CB SER A 45 8.228 -13.379 -0.144 1.00 0.00 C ATOM 720 OG SER A 45 6.903 -12.788 0.213 1.00 0.00 O ATOM 0 H SER A 45 7.033 -12.611 -2.713 1.00 0.00 H new ATOM 0 HA SER A 45 8.867 -14.673 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.539 -14.123 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.006 -12.616 -0.174 1.00 0.00 H new ATOM 0 HG SER A 45 6.961 -12.362 1.094 1.00 0.00 H new ATOM 726 N ASN A 46 5.612 -14.190 -1.865 1.00 0.00 N ATOM 727 CA ASN A 46 4.299 -14.824 -1.958 1.00 0.00 C ATOM 728 C ASN A 46 3.861 -14.976 -3.425 1.00 0.00 C ATOM 729 O ASN A 46 4.027 -14.091 -4.250 1.00 0.00 O ATOM 730 CB ASN A 46 3.226 -14.026 -1.200 1.00 0.00 C ATOM 731 CG ASN A 46 3.438 -12.540 -1.306 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.343 -12.083 -2.559 1.00 0.00 O flip ATOM 733 ND2 ASN A 46 3.664 -11.867 -0.309 1.00 0.00 N flip ATOM 0 H ASN A 46 5.595 -13.181 -2.013 1.00 0.00 H new ATOM 0 HA ASN A 46 4.396 -15.809 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.242 -14.279 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.234 -14.318 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.717 -12.314 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.799 -10.860 -0.394 1.00 0.00 H new ATOM 740 N LYS A 47 3.341 -16.176 -3.707 1.00 0.00 N ATOM 741 CA LYS A 47 2.801 -16.534 -5.013 1.00 0.00 C ATOM 742 C LYS A 47 1.452 -15.878 -5.376 1.00 0.00 C ATOM 743 O LYS A 47 0.590 -16.526 -5.958 1.00 0.00 O ATOM 744 CB LYS A 47 2.894 -18.038 -5.288 1.00 0.00 C ATOM 745 CG LYS A 47 2.630 -18.895 -4.065 1.00 0.00 C ATOM 746 CD LYS A 47 1.309 -18.552 -3.362 1.00 0.00 C ATOM 747 CE LYS A 47 0.501 -19.780 -2.959 1.00 0.00 C ATOM 748 NZ LYS A 47 1.268 -20.714 -2.145 1.00 0.00 N ATOM 0 H LYS A 47 3.285 -16.931 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 47 3.468 -16.066 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.179 -18.301 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.887 -18.268 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.616 -19.944 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.452 -18.774 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.523 -17.959 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.705 -17.930 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.383 -19.463 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.150 -20.290 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.623 -21.401 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.952 -21.217 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.777 -20.192 -1.404 1.00 0.00 H new ATOM 762 N GLY A 48 1.286 -14.600 -5.011 1.00 0.00 N ATOM 763 CA GLY A 48 0.012 -13.972 -5.341 1.00 0.00 C ATOM 764 C GLY A 48 -0.294 -12.687 -4.578 1.00 0.00 C ATOM 765 O GLY A 48 -1.357 -12.113 -4.771 1.00 0.00 O ATOM 0 H GLY A 48 1.967 -14.019 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.002 -13.754 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.788 -14.688 -5.151 1.00 0.00 H new ATOM 769 N ALA A 49 0.671 -12.245 -3.735 1.00 0.00 N ATOM 770 CA ALA A 49 0.393 -10.994 -2.978 1.00 0.00 C ATOM 771 C ALA A 49 1.038 -9.779 -3.703 1.00 0.00 C ATOM 772 O ALA A 49 2.049 -9.897 -4.382 1.00 0.00 O ATOM 773 CB ALA A 49 0.815 -11.075 -1.486 1.00 0.00 C ATOM 0 H ALA A 49 1.574 -12.688 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.688 -10.856 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.585 -10.131 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.271 -11.883 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.886 -11.268 -1.421 1.00 0.00 H new ATOM 779 N PHE A 50 0.379 -8.614 -3.504 1.00 0.00 N ATOM 780 CA PHE A 50 0.776 -7.351 -4.127 1.00 0.00 C ATOM 781 C PHE A 50 0.787 -6.225 -3.061 1.00 0.00 C ATOM 782 O PHE A 50 0.381 -6.397 -1.919 1.00 0.00 O ATOM 783 CB PHE A 50 -0.172 -7.018 -5.322 1.00 0.00 C ATOM 784 CG PHE A 50 0.258 -7.600 -6.650 1.00 0.00 C ATOM 785 CD1 PHE A 50 1.198 -6.927 -7.418 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.303 -8.761 -7.171 1.00 0.00 C ATOM 787 CE1 PHE A 50 1.545 -7.349 -8.691 1.00 0.00 C ATOM 788 CE2 PHE A 50 0.075 -9.208 -8.437 1.00 0.00 C ATOM 789 CZ PHE A 50 0.970 -8.491 -9.204 1.00 0.00 C ATOM 0 H PHE A 50 -0.442 -8.534 -2.905 1.00 0.00 H new ATOM 0 HA PHE A 50 1.785 -7.439 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.172 -7.383 -5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.243 -5.935 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.674 -6.047 -7.011 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.030 -9.316 -6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.259 -6.788 -9.276 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.339 -10.128 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.219 -8.823 -10.201 1.00 0.00 H new ATOM 799 N SER A 51 1.286 -5.066 -3.537 1.00 0.00 N ATOM 800 CA SER A 51 1.441 -3.874 -2.727 1.00 0.00 C ATOM 801 C SER A 51 1.302 -2.629 -3.603 1.00 0.00 C ATOM 802 O SER A 51 1.985 -2.513 -4.601 1.00 0.00 O ATOM 803 CB SER A 51 2.801 -3.980 -1.973 1.00 0.00 C ATOM 804 OG SER A 51 3.060 -5.157 -1.101 1.00 0.00 O ATOM 0 H SER A 51 1.590 -4.946 -4.503 1.00 0.00 H new ATOM 0 HA SER A 51 0.658 -3.786 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.594 -3.945 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.905 -3.087 -1.357 1.00 0.00 H new ATOM 0 HG SER A 51 3.952 -5.079 -0.702 1.00 0.00 H new ATOM 810 N LEU A 52 0.407 -1.712 -3.187 1.00 0.00 N ATOM 811 CA LEU A 52 0.138 -0.487 -3.950 1.00 0.00 C ATOM 812 C LEU A 52 0.797 0.727 -3.264 1.00 0.00 C ATOM 813 O LEU A 52 0.614 1.011 -2.088 1.00 0.00 O ATOM 814 CB LEU A 52 -1.417 -0.390 -3.967 1.00 0.00 C ATOM 815 CG LEU A 52 -2.068 0.924 -4.447 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.834 1.102 -5.943 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.591 0.928 -4.155 1.00 0.00 C ATOM 0 H LEU A 52 -0.138 -1.800 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 52 0.548 -0.503 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.792 -1.196 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.772 -0.586 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.609 1.750 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.296 2.032 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.763 1.138 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.275 0.264 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.026 1.865 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.063 0.094 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.756 0.828 -3.082 1.00 0.00 H new ATOM 829 N SER A 53 1.597 1.405 -4.115 1.00 0.00 N ATOM 830 CA SER A 53 2.349 2.593 -3.758 1.00 0.00 C ATOM 831 C SER A 53 1.582 3.801 -4.311 1.00 0.00 C ATOM 832 O SER A 53 1.173 3.806 -5.464 1.00 0.00 O ATOM 833 CB SER A 53 3.760 2.556 -4.402 1.00 0.00 C ATOM 834 OG SER A 53 4.572 1.335 -4.141 1.00 0.00 O ATOM 0 H SER A 53 1.730 1.123 -5.086 1.00 0.00 H new ATOM 0 HA SER A 53 2.464 2.652 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.647 2.668 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.320 3.422 -4.049 1.00 0.00 H new ATOM 0 HG SER A 53 5.489 1.479 -4.454 1.00 0.00 H new ATOM 840 N VAL A 54 1.440 4.831 -3.460 1.00 0.00 N ATOM 841 CA VAL A 54 0.737 6.035 -3.914 1.00 0.00 C ATOM 842 C VAL A 54 1.508 7.192 -3.328 1.00 0.00 C ATOM 843 O VAL A 54 1.988 7.076 -2.216 1.00 0.00 O ATOM 844 CB VAL A 54 -0.724 6.104 -3.415 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.458 7.311 -4.021 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.482 4.816 -3.751 1.00 0.00 C ATOM 0 H VAL A 54 1.785 4.855 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 54 0.689 6.045 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.693 6.220 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.484 7.335 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.947 8.230 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.464 7.225 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.507 4.892 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.489 4.669 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.990 3.969 -3.273 1.00 0.00 H new ATOM 856 N LYS A 55 1.564 8.332 -4.035 1.00 0.00 N ATOM 857 CA LYS A 55 2.364 9.351 -3.359 1.00 0.00 C ATOM 858 C LYS A 55 1.521 10.064 -2.272 1.00 0.00 C ATOM 859 O LYS A 55 0.493 10.630 -2.517 1.00 0.00 O ATOM 860 CB LYS A 55 2.764 10.305 -4.464 1.00 0.00 C ATOM 861 CG LYS A 55 3.456 11.612 -4.065 1.00 0.00 C ATOM 862 CD LYS A 55 4.724 11.851 -4.887 1.00 0.00 C ATOM 863 CE LYS A 55 5.426 13.145 -4.497 1.00 0.00 C ATOM 864 NZ LYS A 55 5.822 13.988 -5.621 1.00 0.00 N ATOM 0 H LYS A 55 1.137 8.552 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 55 3.232 8.939 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.426 9.770 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.866 10.560 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.768 12.446 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.709 11.582 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.407 11.013 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.468 11.883 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.766 13.718 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.314 12.899 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.631 14.984 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.838 13.864 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.280 13.717 -6.466 1.00 0.00 H new ATOM 878 N ASP A 56 2.119 10.035 -1.037 1.00 0.00 N ATOM 879 CA ASP A 56 1.394 10.728 0.015 1.00 0.00 C ATOM 880 C ASP A 56 2.141 12.040 0.200 1.00 0.00 C ATOM 881 O ASP A 56 3.353 12.147 0.083 1.00 0.00 O ATOM 882 CB ASP A 56 1.371 9.861 1.282 1.00 0.00 C ATOM 883 CG ASP A 56 1.104 10.601 2.615 1.00 0.00 C ATOM 884 OD1 ASP A 56 0.246 11.481 2.654 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.751 10.281 3.611 1.00 0.00 O ATOM 0 H ASP A 56 3.001 9.587 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 56 0.348 10.920 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.607 9.094 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.329 9.347 1.362 1.00 0.00 H new ATOM 890 N ILE A 57 1.286 13.034 0.478 1.00 0.00 N ATOM 891 CA ILE A 57 1.765 14.394 0.594 1.00 0.00 C ATOM 892 C ILE A 57 1.007 15.080 1.726 1.00 0.00 C ATOM 893 O ILE A 57 -0.162 15.432 1.638 1.00 0.00 O ATOM 894 CB ILE A 57 1.489 15.113 -0.744 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.002 14.308 -1.962 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.072 16.530 -0.730 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.127 15.140 -3.229 1.00 0.00 C ATOM 0 H ILE A 57 0.283 12.914 0.622 1.00 0.00 H new ATOM 0 HA ILE A 57 2.833 14.420 0.811 1.00 0.00 H new ATOM 0 HB ILE A 57 0.407 15.187 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.975 13.879 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.324 13.475 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.866 17.018 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.616 17.103 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.150 16.479 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.492 14.512 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.151 15.547 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.828 15.958 -3.060 1.00 0.00 H new ATOM 909 N THR A 58 1.783 15.148 2.817 1.00 0.00 N ATOM 910 CA THR A 58 1.374 15.755 4.077 1.00 0.00 C ATOM 911 C THR A 58 2.378 16.848 4.442 1.00 0.00 C ATOM 912 O THR A 58 3.425 16.990 3.821 1.00 0.00 O ATOM 913 CB THR A 58 1.300 14.670 5.172 1.00 0.00 C ATOM 914 OG1 THR A 58 0.719 15.318 6.358 1.00 0.00 O ATOM 915 CG2 THR A 58 2.668 13.889 5.212 1.00 0.00 C ATOM 0 H THR A 58 2.731 14.773 2.841 1.00 0.00 H new ATOM 0 HA THR A 58 0.385 16.204 3.984 1.00 0.00 H new ATOM 0 HB THR A 58 0.624 13.830 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.649 14.666 7.086 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.625 13.120 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.849 13.422 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.477 14.584 5.437 1.00 0.00 H new ATOM 923 N THR A 59 1.969 17.643 5.449 1.00 0.00 N ATOM 924 CA THR A 59 2.799 18.704 6.010 1.00 0.00 C ATOM 925 C THR A 59 4.086 18.172 6.677 1.00 0.00 C ATOM 926 O THR A 59 4.797 18.941 7.313 1.00 0.00 O ATOM 927 CB THR A 59 2.055 19.695 6.947 1.00 0.00 C ATOM 928 OG1 THR A 59 2.732 20.975 7.194 1.00 0.00 O ATOM 929 CG2 THR A 59 1.524 18.972 8.220 1.00 0.00 C ATOM 0 H THR A 59 1.053 17.561 5.890 1.00 0.00 H new ATOM 0 HA THR A 59 3.087 19.287 5.135 1.00 0.00 H new ATOM 0 HB THR A 59 1.181 20.032 6.389 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.694 20.821 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.008 19.690 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.832 18.182 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.360 18.537 8.767 1.00 0.00 H new ATOM 937 N GLN A 60 4.324 16.839 6.578 1.00 0.00 N ATOM 938 CA GLN A 60 5.486 16.247 7.238 1.00 0.00 C ATOM 939 C GLN A 60 6.309 15.379 6.271 1.00 0.00 C ATOM 940 O GLN A 60 6.492 14.182 6.461 1.00 0.00 O ATOM 941 CB GLN A 60 4.965 15.392 8.399 1.00 0.00 C ATOM 942 CG GLN A 60 4.326 16.224 9.527 1.00 0.00 C ATOM 943 CD GLN A 60 5.065 16.032 10.860 1.00 0.00 C ATOM 944 OE1 GLN A 60 4.565 15.432 11.800 1.00 0.00 O ATOM 945 NE2 GLN A 60 6.290 16.584 10.872 1.00 0.00 N ATOM 0 H GLN A 60 3.739 16.182 6.061 1.00 0.00 H new ATOM 0 HA GLN A 60 6.147 17.037 7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.230 14.683 8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.789 14.808 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.337 17.279 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.281 15.936 9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.638 17.070 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.871 16.517 11.707 1.00 0.00 H new ATOM 954 N GLY A 61 6.806 16.083 5.235 1.00 0.00 N ATOM 955 CA GLY A 61 7.630 15.430 4.223 1.00 0.00 C ATOM 956 C GLY A 61 6.783 14.671 3.192 1.00 0.00 C ATOM 957 O GLY A 61 5.694 14.191 3.483 1.00 0.00 O ATOM 0 H GLY A 61 6.651 17.080 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.238 16.178 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.318 14.737 4.708 1.00 0.00 H new ATOM 961 N GLU A 62 7.346 14.639 1.963 1.00 0.00 N ATOM 962 CA GLU A 62 6.731 13.952 0.848 1.00 0.00 C ATOM 963 C GLU A 62 7.148 12.470 0.888 1.00 0.00 C ATOM 964 O GLU A 62 8.326 12.143 0.971 1.00 0.00 O ATOM 965 CB GLU A 62 7.236 14.618 -0.429 1.00 0.00 C ATOM 966 CG GLU A 62 6.180 14.510 -1.515 1.00 0.00 C ATOM 967 CD GLU A 62 6.522 15.379 -2.736 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.674 15.381 -3.167 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.620 16.025 -3.265 1.00 0.00 O ATOM 0 H GLU A 62 8.232 15.090 1.736 1.00 0.00 H new ATOM 0 HA GLU A 62 5.643 14.006 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.468 15.666 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.160 14.142 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.084 13.470 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.213 14.813 -1.113 1.00 0.00 H new ATOM 976 N VAL A 63 6.111 11.610 0.829 1.00 0.00 N ATOM 977 CA VAL A 63 6.318 10.172 0.899 1.00 0.00 C ATOM 978 C VAL A 63 5.435 9.469 -0.148 1.00 0.00 C ATOM 979 O VAL A 63 4.812 10.090 -1.000 1.00 0.00 O ATOM 980 CB VAL A 63 5.991 9.725 2.339 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.801 10.510 3.384 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.481 9.814 2.621 1.00 0.00 C ATOM 0 H VAL A 63 5.136 11.894 0.734 1.00 0.00 H new ATOM 0 HA VAL A 63 7.349 9.903 0.671 1.00 0.00 H new ATOM 0 HB VAL A 63 6.287 8.679 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.539 10.163 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.866 10.352 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.573 11.572 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.282 9.493 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.147 10.844 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.943 9.169 1.927 1.00 0.00 H new ATOM 992 N VAL A 64 5.418 8.125 0.008 1.00 0.00 N ATOM 993 CA VAL A 64 4.594 7.232 -0.796 1.00 0.00 C ATOM 994 C VAL A 64 3.574 6.659 0.190 1.00 0.00 C ATOM 995 O VAL A 64 3.332 7.223 1.238 1.00 0.00 O ATOM 996 CB VAL A 64 5.434 6.180 -1.574 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.684 5.368 -2.633 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.508 6.877 -2.343 1.00 0.00 C ATOM 0 H VAL A 64 5.984 7.640 0.704 1.00 0.00 H new ATOM 0 HA VAL A 64 4.081 7.744 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 64 5.778 5.502 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.371 4.668 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.872 4.815 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.274 6.042 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.099 6.142 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.056 7.576 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.153 7.422 -1.654 1.00 0.00 H new ATOM 1008 N LYS A 65 2.949 5.566 -0.215 1.00 0.00 N ATOM 1009 CA LYS A 65 1.987 4.820 0.572 1.00 0.00 C ATOM 1010 C LYS A 65 2.217 3.349 0.350 1.00 0.00 C ATOM 1011 O LYS A 65 2.833 2.969 -0.628 1.00 0.00 O ATOM 1012 CB LYS A 65 0.566 5.173 0.156 1.00 0.00 C ATOM 1013 CG LYS A 65 0.194 6.577 0.614 1.00 0.00 C ATOM 1014 CD LYS A 65 0.309 6.723 2.145 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.896 7.425 2.735 1.00 0.00 C ATOM 1016 NZ LYS A 65 -0.876 7.593 4.178 1.00 0.00 N ATOM 0 H LYS A 65 3.106 5.160 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 65 2.115 5.072 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.473 5.104 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.131 4.451 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.846 7.303 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.825 6.804 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.413 5.737 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.212 7.283 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.984 8.408 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.790 6.864 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.742 8.083 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.827 6.660 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.046 8.157 4.450 1.00 0.00 H new ATOM 1030 N HIS A 66 1.610 2.553 1.250 1.00 0.00 N ATOM 1031 CA HIS A 66 1.729 1.116 1.114 1.00 0.00 C ATOM 1032 C HIS A 66 0.399 0.451 1.510 1.00 0.00 C ATOM 1033 O HIS A 66 0.132 0.220 2.682 1.00 0.00 O ATOM 1034 CB HIS A 66 2.815 0.612 2.079 1.00 0.00 C ATOM 1035 CG HIS A 66 4.185 0.962 1.570 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.070 1.708 2.256 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.770 0.566 0.360 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.166 1.765 1.485 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.017 1.086 0.332 1.00 0.00 N ATOM 0 H HIS A 66 1.057 2.876 2.044 1.00 0.00 H new ATOM 0 HA HIS A 66 1.982 0.871 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.665 1.052 3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.731 -0.468 2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.311 -0.041 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.066 2.296 1.758 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.707 0.985 -0.413 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.395 0.133 0.477 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.680 -0.543 0.669 1.00 0.00 C ATOM 1049 C TYR A 67 -1.477 -1.942 0.072 1.00 0.00 C ATOM 1050 O TYR A 67 -1.592 -2.175 -1.118 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.784 0.204 -0.088 1.00 0.00 C ATOM 1052 CG TYR A 67 -3.068 1.540 0.533 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.875 1.640 1.661 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.506 2.694 0.006 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.103 2.871 2.261 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.731 3.930 0.588 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.540 4.031 1.723 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.790 5.256 2.327 1.00 0.00 O ATOM 0 H TYR A 67 -0.168 0.334 -0.497 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.979 -0.581 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.486 0.341 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.694 -0.397 -0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.329 0.751 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.882 2.627 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.718 2.932 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.281 4.816 0.165 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.460 5.747 1.806 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.179 -2.857 1.001 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.907 -4.253 0.669 1.00 0.00 C ATOM 1070 C LYS A 68 -2.203 -5.020 0.330 1.00 0.00 C ATOM 1071 O LYS A 68 -3.123 -5.147 1.111 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.137 -4.971 1.792 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.484 -4.481 3.185 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.966 -4.660 3.501 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.295 -4.560 4.972 1.00 0.00 C ATOM 1076 NZ LYS A 68 -2.251 -3.183 5.452 1.00 0.00 N ATOM 0 H LYS A 68 -1.121 -2.649 1.998 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.274 -4.244 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.340 -6.040 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.932 -4.840 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.111 -5.024 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.219 -3.428 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.537 -3.906 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.291 -5.632 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.288 -4.974 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.590 -5.165 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.483 -3.161 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.297 -2.795 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.942 -2.610 4.926 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.206 -5.481 -0.922 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.292 -6.305 -1.454 1.00 0.00 C ATOM 1092 C ILE A 69 -2.961 -7.793 -1.253 1.00 0.00 C ATOM 1093 O ILE A 69 -1.896 -8.262 -1.611 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.625 -5.989 -2.919 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.468 -5.515 -3.780 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.876 -5.196 -3.127 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.300 -3.992 -3.892 1.00 0.00 C ATOM 0 H ILE A 69 -1.460 -5.295 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.195 -6.063 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.848 -6.983 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.545 -5.935 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.595 -5.923 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.025 -5.024 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.727 -5.747 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.789 -4.238 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.445 -3.766 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.201 -3.558 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.135 -3.570 -2.901 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.952 -8.492 -0.656 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.782 -9.927 -0.442 1.00 0.00 C ATOM 1111 C ARG A 70 -4.480 -10.622 -1.588 1.00 0.00 C ATOM 1112 O ARG A 70 -5.135 -9.981 -2.389 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.388 -10.403 0.885 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.533 -9.896 2.042 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.109 -8.570 2.537 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.738 -8.302 3.926 1.00 0.00 N ATOM 1117 CZ ARG A 70 -4.351 -8.938 4.948 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -5.298 -9.840 4.725 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -4.009 -8.670 6.200 1.00 0.00 N ATOM 0 H ARG A 70 -4.835 -8.100 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.718 -10.159 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.409 -10.035 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.438 -11.492 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.520 -10.627 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.501 -9.761 1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.752 -7.759 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.195 -8.590 2.448 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.004 -7.623 4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.574 -10.064 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.750 -10.310 5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.281 -7.982 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.474 -9.152 6.970 1.00 0.00 H new ATOM 1133 N SER A 71 -4.400 -11.957 -1.541 1.00 0.00 N ATOM 1134 CA SER A 71 -4.987 -12.744 -2.601 1.00 0.00 C ATOM 1135 C SER A 71 -5.821 -13.867 -2.016 1.00 0.00 C ATOM 1136 O SER A 71 -5.327 -14.766 -1.348 1.00 0.00 O ATOM 1137 CB SER A 71 -3.829 -13.399 -3.396 1.00 0.00 C ATOM 1138 OG SER A 71 -2.667 -13.944 -2.646 1.00 0.00 O ATOM 0 H SER A 71 -3.947 -12.491 -0.799 1.00 0.00 H new ATOM 0 HA SER A 71 -5.610 -12.105 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.252 -14.212 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.450 -12.658 -4.099 1.00 0.00 H new ATOM 0 HG SER A 71 -2.020 -14.325 -3.276 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.135 -13.701 -2.271 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.130 -14.643 -1.809 1.00 0.00 C ATOM 1146 C LEU A 72 -8.449 -15.637 -2.908 1.00 0.00 C ATOM 1147 O LEU A 72 -8.501 -15.303 -4.087 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.371 -13.880 -1.341 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.027 -12.587 -0.612 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.876 -12.808 0.388 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.797 -11.431 -1.606 1.00 0.00 C ATOM 0 H LEU A 72 -7.515 -12.915 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.747 -15.211 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.998 -13.651 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.958 -14.519 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.881 -12.279 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.650 -11.870 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.172 -13.556 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.991 -13.154 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.553 -10.522 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.973 -11.683 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.702 -11.269 -2.192 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.718 -16.858 -2.417 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.059 -17.949 -3.327 1.00 0.00 C ATOM 1165 C ASP A 73 -10.366 -17.693 -4.095 1.00 0.00 C ATOM 1166 O ASP A 73 -10.542 -18.150 -5.219 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.258 -19.260 -2.555 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.306 -19.148 -1.424 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.017 -18.519 -0.407 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.400 -19.688 -1.583 1.00 0.00 O ATOM 0 H ASP A 73 -8.706 -17.104 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.226 -18.015 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.566 -20.041 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.304 -19.571 -2.128 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.232 -16.893 -3.437 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.529 -16.589 -4.026 1.00 0.00 C ATOM 1177 C ASN A 74 -12.937 -15.140 -3.724 1.00 0.00 C ATOM 1178 O ASN A 74 -14.082 -14.818 -3.434 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.609 -17.539 -3.477 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.841 -17.410 -1.956 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.041 -16.853 -1.216 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -15.001 -17.938 -1.544 1.00 0.00 N ATOM 0 H ASN A 74 -11.055 -16.464 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.443 -16.722 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.548 -17.344 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.326 -18.566 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.262 -17.889 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.623 -18.389 -2.215 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.896 -14.303 -3.843 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.096 -12.884 -3.593 1.00 0.00 C ATOM 1191 C GLY A 75 -11.059 -11.974 -4.237 1.00 0.00 C ATOM 1192 O GLY A 75 -11.018 -10.791 -3.957 1.00 0.00 O ATOM 0 H GLY A 75 -10.948 -14.576 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.084 -12.600 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.091 -12.714 -2.516 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.230 -12.565 -5.109 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.206 -11.826 -5.831 1.00 0.00 C ATOM 1198 C GLY A 76 -8.200 -11.105 -4.942 1.00 0.00 C ATOM 1199 O GLY A 76 -7.205 -11.678 -4.535 1.00 0.00 O ATOM 0 H GLY A 76 -10.256 -13.561 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.668 -12.516 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.691 -11.094 -6.476 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.564 -9.839 -4.618 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.720 -8.988 -3.809 1.00 0.00 C ATOM 1205 C TYR A 77 -8.604 -8.165 -2.894 1.00 0.00 C ATOM 1206 O TYR A 77 -9.731 -7.813 -3.212 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.845 -8.067 -4.688 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.964 -8.854 -5.603 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -6.440 -9.291 -6.826 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -4.677 -9.172 -5.223 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -5.672 -10.074 -7.665 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -3.885 -9.972 -6.031 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.381 -10.442 -7.253 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.592 -11.299 -8.011 1.00 0.00 O ATOM 0 H TYR A 77 -9.438 -9.405 -4.914 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.044 -9.607 -3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.485 -7.409 -5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.232 -7.430 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.438 -9.013 -7.132 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.284 -8.795 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.057 -10.397 -8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.885 -10.233 -5.718 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.731 -11.434 -7.562 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.989 -7.867 -1.731 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.725 -7.038 -0.743 1.00 0.00 C ATOM 1226 C TYR A 78 -7.754 -6.273 0.166 1.00 0.00 C ATOM 1227 O TYR A 78 -6.680 -6.768 0.496 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.789 -7.810 0.078 1.00 0.00 C ATOM 1229 CG TYR A 78 -9.349 -8.332 1.435 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -9.358 -7.480 2.540 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.948 -9.653 1.629 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.957 -7.896 3.795 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.564 -10.088 2.902 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.573 -9.221 3.999 1.00 0.00 C ATOM 1235 OH TYR A 78 -8.188 -9.672 5.260 1.00 0.00 O ATOM 0 H TYR A 78 -7.051 -8.161 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.295 -6.319 -1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.647 -7.155 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -10.133 -8.655 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.690 -6.461 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.934 -10.341 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.941 -7.196 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.255 -11.113 3.040 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.955 -10.623 5.210 1.00 0.00 H new ATOM 1245 N ILE A 79 -8.158 -5.000 0.449 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.260 -4.179 1.337 1.00 0.00 C ATOM 1247 C ILE A 79 -8.038 -3.838 2.623 1.00 0.00 C ATOM 1248 O ILE A 79 -7.552 -4.016 3.734 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.600 -2.901 0.730 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.501 -2.315 -0.291 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.241 -3.071 0.108 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.985 -1.091 -1.081 1.00 0.00 C ATOM 0 H ILE A 79 -9.010 -4.548 0.118 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.392 -4.812 1.521 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.446 -2.253 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.750 -3.097 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.429 -2.029 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.894 -2.112 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.540 -3.437 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.303 -3.788 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.747 -0.769 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.767 -0.277 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.077 -1.362 -1.620 1.00 0.00 H new ATOM 1264 N SER A 80 -9.300 -3.424 2.397 1.00 0.00 N ATOM 1265 CA SER A 80 -10.199 -3.090 3.484 1.00 0.00 C ATOM 1266 C SER A 80 -11.227 -4.205 3.312 1.00 0.00 C ATOM 1267 O SER A 80 -11.802 -4.344 2.244 1.00 0.00 O ATOM 1268 CB SER A 80 -10.858 -1.681 3.294 1.00 0.00 C ATOM 1269 OG SER A 80 -10.042 -0.518 2.879 1.00 0.00 O ATOM 0 H SER A 80 -9.706 -3.318 1.467 1.00 0.00 H new ATOM 0 HA SER A 80 -9.727 -3.028 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.653 -1.795 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.334 -1.419 4.239 1.00 0.00 H new ATOM 0 HG SER A 80 -10.614 0.275 2.809 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.439 -5.014 4.388 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.335 -6.159 4.296 1.00 0.00 C ATOM 1277 C PRO A 81 -13.808 -5.831 4.029 1.00 0.00 C ATOM 1278 O PRO A 81 -14.617 -6.718 3.798 1.00 0.00 O ATOM 1279 CB PRO A 81 -12.235 -6.786 5.699 1.00 0.00 C ATOM 1280 CG PRO A 81 -11.176 -6.052 6.505 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.756 -4.883 5.659 1.00 0.00 C ATOM 0 HA PRO A 81 -12.039 -6.784 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.199 -6.727 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.980 -7.843 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.575 -5.718 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.329 -6.703 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.019 -3.942 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.675 -4.878 5.517 1.00 0.00 H new ATOM 1289 N ARG A 82 -14.084 -4.514 3.978 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.439 -4.073 3.664 1.00 0.00 C ATOM 1291 C ARG A 82 -15.663 -4.071 2.124 1.00 0.00 C ATOM 1292 O ARG A 82 -16.781 -3.887 1.663 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.695 -2.711 4.330 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.885 -1.554 3.721 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.762 -0.671 2.835 1.00 0.00 C ATOM 1296 NE ARG A 82 -16.343 0.427 3.601 1.00 0.00 N ATOM 1297 CZ ARG A 82 -17.336 1.194 3.104 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -17.852 0.957 1.904 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -17.805 2.204 3.823 1.00 0.00 N ATOM 0 H ARG A 82 -13.409 -3.768 4.145 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.174 -4.768 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.757 -2.476 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.459 -2.787 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.448 -0.953 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.058 -1.955 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.168 -0.271 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.557 -1.270 2.392 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.989 0.620 4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.498 0.184 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.602 1.548 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.415 2.397 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.555 2.788 3.454 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.538 -4.282 1.383 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.454 -4.291 -0.071 1.00 0.00 C ATOM 1315 C ILE A 83 -13.275 -5.162 -0.650 1.00 0.00 C ATOM 1316 O ILE A 83 -12.062 -4.992 -0.390 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.481 -2.882 -0.615 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.470 -2.044 0.102 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.835 -2.197 -0.465 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.425 -0.683 -0.611 1.00 0.00 C ATOM 0 H ILE A 83 -13.634 -4.457 1.822 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.346 -4.804 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.260 -2.969 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.745 -1.921 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.490 -2.522 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.781 -1.189 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.593 -2.768 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -16.101 -2.144 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.697 -0.038 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.136 -0.827 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.410 -0.217 -0.569 1.00 0.00 H new ATOM 1332 N THR A 84 -13.778 -6.140 -1.430 1.00 0.00 N ATOM 1333 CA THR A 84 -12.962 -7.110 -2.149 1.00 0.00 C ATOM 1334 C THR A 84 -13.193 -6.907 -3.675 1.00 0.00 C ATOM 1335 O THR A 84 -14.229 -6.381 -4.088 1.00 0.00 O ATOM 1336 CB THR A 84 -13.429 -8.509 -1.648 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.966 -8.648 -0.282 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.299 -9.540 -1.824 1.00 0.00 C ATOM 0 H THR A 84 -14.779 -6.271 -1.573 1.00 0.00 H new ATOM 0 HA THR A 84 -11.892 -7.002 -1.974 1.00 0.00 H new ATOM 0 HB THR A 84 -14.297 -8.683 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.215 -9.582 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.637 -10.514 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.031 -9.610 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.428 -9.227 -1.248 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.203 -7.365 -4.466 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.259 -7.232 -5.931 1.00 0.00 C ATOM 1348 C PHE A 85 -11.686 -8.498 -6.584 1.00 0.00 C ATOM 1349 O PHE A 85 -10.993 -9.249 -5.932 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.465 -5.986 -6.316 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.175 -4.758 -5.814 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.323 -4.292 -6.454 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.725 -4.085 -4.685 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.012 -3.183 -5.976 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.420 -2.979 -4.224 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.559 -2.523 -4.848 1.00 0.00 C ATOM 0 H PHE A 85 -11.363 -7.826 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.285 -7.123 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.462 -6.037 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.352 -5.935 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.683 -4.801 -7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.838 -4.422 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.900 -2.837 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.058 -2.459 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.090 -1.665 -4.463 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.977 -8.735 -7.890 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.433 -9.903 -8.587 1.00 0.00 C ATOM 1368 C PRO A 86 -9.943 -9.744 -8.932 1.00 0.00 C ATOM 1369 O PRO A 86 -9.163 -10.678 -8.792 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.237 -9.963 -9.912 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.171 -8.743 -9.944 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.020 -8.026 -8.610 1.00 0.00 C ATOM 0 HA PRO A 86 -11.515 -10.794 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.564 -9.953 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.812 -10.887 -9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.910 -8.080 -10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.204 -9.053 -10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.750 -6.980 -8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.956 -8.038 -8.052 1.00 0.00 H new ATOM 1380 N THR A 87 -9.585 -8.513 -9.354 1.00 0.00 N ATOM 1381 CA THR A 87 -8.192 -8.236 -9.702 1.00 0.00 C ATOM 1382 C THR A 87 -7.887 -6.819 -9.229 1.00 0.00 C ATOM 1383 O THR A 87 -8.760 -6.083 -8.783 1.00 0.00 O ATOM 1384 CB THR A 87 -7.900 -8.382 -11.230 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.699 -7.844 -11.866 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.100 -7.888 -12.034 1.00 0.00 C ATOM 0 H THR A 87 -10.224 -7.724 -9.457 1.00 0.00 H new ATOM 0 HA THR A 87 -7.550 -8.970 -9.214 1.00 0.00 H new ATOM 0 HB THR A 87 -7.694 -9.452 -11.252 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.957 -7.245 -12.598 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.892 -7.992 -13.099 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.979 -8.479 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.287 -6.840 -11.801 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.596 -6.461 -9.415 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.219 -5.130 -8.984 1.00 0.00 C ATOM 1396 C LEU A 88 -6.765 -4.097 -9.959 1.00 0.00 C ATOM 1397 O LEU A 88 -6.774 -2.920 -9.641 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.695 -4.903 -9.017 1.00 0.00 C ATOM 1399 CG LEU A 88 -3.915 -5.320 -7.797 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.377 -4.515 -6.631 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -3.974 -6.756 -7.415 1.00 0.00 C ATOM 0 H LEU A 88 -5.861 -7.035 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.609 -5.032 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.291 -5.438 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.514 -3.842 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.875 -5.142 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.819 -4.809 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.210 -3.456 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.440 -4.690 -6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.370 -6.920 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.007 -7.036 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.587 -7.366 -8.231 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.153 -4.535 -11.176 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.682 -3.493 -12.053 1.00 0.00 C ATOM 1415 C GLN A 89 -9.050 -2.972 -11.591 1.00 0.00 C ATOM 1416 O GLN A 89 -9.301 -1.778 -11.588 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.541 -3.846 -13.521 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.576 -4.830 -14.001 1.00 0.00 C ATOM 1419 CD GLN A 89 -7.973 -5.893 -14.905 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -7.059 -6.602 -14.235 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -8.294 -6.041 -16.075 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.117 -5.488 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.048 -2.612 -11.956 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.613 -2.935 -14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.548 -4.261 -13.694 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.047 -5.309 -13.143 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.360 -4.298 -14.540 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.008 -5.441 -16.488 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.848 -6.765 -16.638 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.906 -3.945 -11.197 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.252 -3.573 -10.748 1.00 0.00 C ATOM 1432 C ALA A 90 -11.224 -2.948 -9.340 1.00 0.00 C ATOM 1433 O ALA A 90 -12.141 -2.257 -8.914 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.129 -4.848 -10.685 1.00 0.00 C ATOM 0 H ALA A 90 -9.696 -4.943 -11.183 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.653 -2.844 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.133 -4.583 -10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.183 -5.302 -11.675 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.690 -5.558 -9.984 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.109 -3.229 -8.652 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.885 -2.668 -7.337 1.00 0.00 C ATOM 1442 C LEU A 91 -9.490 -1.205 -7.464 1.00 0.00 C ATOM 1443 O LEU A 91 -10.119 -0.329 -6.899 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.839 -3.538 -6.629 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.933 -2.824 -5.618 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.608 -3.669 -4.375 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.678 -2.296 -6.336 1.00 0.00 C ATOM 0 H LEU A 91 -9.362 -3.836 -8.990 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.789 -2.676 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.358 -4.345 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.207 -4.000 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.485 -1.974 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.964 -3.099 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.532 -3.925 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.097 -4.583 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.034 -1.789 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.137 -3.130 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.973 -1.595 -7.117 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.506 -1.006 -8.355 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.909 0.308 -8.550 1.00 0.00 C ATOM 1461 C VAL A 92 -8.914 1.260 -9.250 1.00 0.00 C ATOM 1462 O VAL A 92 -8.912 2.458 -9.009 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.558 0.054 -9.293 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.918 1.254 -9.914 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.433 -0.479 -8.402 1.00 0.00 C ATOM 0 H VAL A 92 -8.114 -1.740 -8.945 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.683 0.835 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.904 -0.662 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.988 0.960 -10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.594 1.685 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.705 1.993 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.534 -0.626 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.227 0.238 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.736 -1.429 -7.963 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.770 0.658 -10.108 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.804 1.373 -10.850 1.00 0.00 C ATOM 1477 C GLN A 93 -11.860 1.945 -9.845 1.00 0.00 C ATOM 1478 O GLN A 93 -12.288 3.090 -9.926 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.556 0.536 -11.921 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.769 -0.278 -11.474 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.435 -0.948 -12.682 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.445 -0.435 -13.792 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.004 -2.119 -12.376 1.00 0.00 N ATOM 0 H GLN A 93 -9.753 -0.344 -10.298 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.273 2.155 -11.393 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.882 1.216 -12.708 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.840 -0.152 -12.371 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.461 -1.036 -10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.485 0.371 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.950 -2.478 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.492 -2.653 -13.096 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.154 1.084 -8.836 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.185 1.442 -7.855 1.00 0.00 C ATOM 1494 C HIS A 94 -12.660 2.590 -6.985 1.00 0.00 C ATOM 1495 O HIS A 94 -13.308 3.616 -6.799 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.490 0.208 -6.983 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.751 0.422 -6.173 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.850 1.276 -5.131 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -16.001 -0.196 -6.353 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -16.118 1.182 -4.695 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.837 0.300 -5.413 1.00 0.00 N ATOM 0 H HIS A 94 -11.708 0.178 -8.691 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.099 1.761 -8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.604 -0.672 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.651 0.013 -6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.248 -0.932 -7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.514 1.748 -3.865 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.817 0.054 -5.276 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.393 2.392 -6.573 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.744 3.425 -5.786 1.00 0.00 C ATOM 1511 C TYR A 95 -10.398 4.648 -6.662 1.00 0.00 C ATOM 1512 O TYR A 95 -10.038 5.701 -6.146 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.460 2.921 -5.169 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.704 2.008 -4.021 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.241 2.442 -2.820 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.356 0.693 -4.171 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.449 1.570 -1.779 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.511 -0.213 -3.160 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.057 0.241 -1.932 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.196 -0.548 -0.818 1.00 0.00 O ATOM 0 H TYR A 95 -10.831 1.563 -6.767 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.446 3.708 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.876 2.399 -5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.863 3.769 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.501 3.483 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.948 0.362 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.907 1.907 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.226 -1.246 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.095 -1.490 -1.070 1.00 0.00 H new ATOM 1530 N SER A 96 -10.518 4.459 -8.009 1.00 0.00 N ATOM 1531 CA SER A 96 -10.214 5.609 -8.870 1.00 0.00 C ATOM 1532 C SER A 96 -11.370 6.589 -8.931 1.00 0.00 C ATOM 1533 O SER A 96 -11.260 7.616 -9.594 1.00 0.00 O ATOM 1534 CB SER A 96 -9.854 5.210 -10.324 1.00 0.00 C ATOM 1535 OG SER A 96 -8.400 4.974 -10.507 1.00 0.00 O ATOM 0 H SER A 96 -10.798 3.597 -8.477 1.00 0.00 H new ATOM 0 HA SER A 96 -9.344 6.075 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.402 4.308 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.179 5.997 -11.004 1.00 0.00 H new ATOM 0 HG SER A 96 -8.155 4.116 -10.103 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.473 6.220 -8.260 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.611 7.143 -8.283 1.00 0.00 C ATOM 1543 C LYS A 97 -13.875 7.809 -6.969 1.00 0.00 C ATOM 1544 O LYS A 97 -14.537 8.836 -6.926 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.893 6.401 -8.801 1.00 0.00 C ATOM 1546 CG LYS A 97 -15.174 6.278 -10.305 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.221 5.325 -10.996 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.142 5.580 -12.516 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.313 5.108 -13.265 1.00 0.00 N ATOM 0 H LYS A 97 -12.598 5.356 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.346 7.946 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.863 5.389 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.754 6.898 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.198 5.934 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.098 7.262 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.227 5.428 -10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.543 4.299 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.021 6.649 -12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.251 5.091 -12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.185 5.315 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.419 4.082 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.165 5.592 -12.918 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.312 7.197 -5.944 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.533 7.735 -4.639 1.00 0.00 C ATOM 1565 C LYS A 98 -12.452 7.205 -3.735 1.00 0.00 C ATOM 1566 O LYS A 98 -11.983 6.101 -3.931 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.947 7.298 -4.120 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.326 8.004 -2.832 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.047 7.358 -1.519 1.00 0.00 C ATOM 1570 CE LYS A 98 -14.683 8.465 -0.485 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.739 9.442 -0.200 1.00 0.00 N ATOM 0 H LYS A 98 -12.725 6.364 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.502 8.824 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.695 7.512 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.956 6.220 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.822 8.970 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.397 8.203 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.918 6.797 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.227 6.646 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.398 7.983 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.806 9.001 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.395 10.132 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.000 9.937 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.573 8.951 0.181 1.00 0.00 H new ATOM 1585 N GLY A 99 -12.121 8.049 -2.727 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.127 7.698 -1.730 1.00 0.00 C ATOM 1587 C GLY A 99 -11.432 6.356 -1.114 1.00 0.00 C ATOM 1588 O GLY A 99 -10.807 5.351 -1.413 1.00 0.00 O ATOM 0 H GLY A 99 -12.537 8.971 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.138 7.676 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.101 8.462 -0.953 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.377 6.451 -0.164 1.00 0.00 N ATOM 1593 CA ASP A 100 -12.887 5.277 0.531 1.00 0.00 C ATOM 1594 C ASP A 100 -11.797 4.646 1.412 1.00 0.00 C ATOM 1595 O ASP A 100 -11.191 3.623 1.118 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.509 4.367 -0.552 1.00 0.00 C ATOM 1597 CG ASP A 100 -14.377 3.232 0.025 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -13.894 2.487 0.870 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -15.549 3.126 -0.322 1.00 0.00 O ATOM 0 H ASP A 100 -12.797 7.331 0.134 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.671 5.508 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.118 4.975 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.710 3.933 -1.154 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.573 5.420 2.490 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.595 5.070 3.506 1.00 0.00 C ATOM 1606 C GLY A 101 -9.156 5.012 2.994 1.00 0.00 C ATOM 1607 O GLY A 101 -8.281 4.549 3.717 1.00 0.00 O ATOM 0 H GLY A 101 -12.066 6.295 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.652 5.797 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.858 4.101 3.929 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.945 5.470 1.725 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.587 5.422 1.218 1.00 0.00 C ATOM 1613 C LEU A 102 -6.807 6.743 1.477 1.00 0.00 C ATOM 1614 O LEU A 102 -5.670 6.862 1.045 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.525 5.129 -0.299 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.732 3.656 -0.695 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -7.308 3.479 -2.162 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.940 2.657 0.184 1.00 0.00 C ATOM 0 H LEU A 102 -9.653 5.845 1.094 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.121 4.604 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.282 5.732 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.556 5.456 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.788 3.431 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.449 2.440 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.917 4.123 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.258 3.749 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.136 1.640 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.874 2.867 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.252 2.760 1.223 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.425 7.700 2.215 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.832 9.015 2.537 1.00 0.00 C ATOM 1632 C CYS A 103 -6.849 9.988 1.332 1.00 0.00 C ATOM 1633 O CYS A 103 -7.224 11.148 1.452 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.440 8.941 3.195 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.016 8.893 2.070 1.00 0.00 S ATOM 0 H CYS A 103 -8.359 7.575 2.605 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.490 9.430 3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -5.327 9.803 3.853 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.407 8.053 3.826 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.190 7.953 1.189 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.419 9.446 0.175 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.348 10.129 -1.089 1.00 0.00 C ATOM 1643 C GLN A 104 -6.648 9.030 -2.078 1.00 0.00 C ATOM 1644 O GLN A 104 -6.001 7.987 -2.146 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.911 10.651 -1.304 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.609 11.921 -0.486 1.00 0.00 C ATOM 1647 CD GLN A 104 -5.117 13.184 -1.202 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.547 13.159 -2.350 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.040 14.292 -0.450 1.00 0.00 N ATOM 0 H GLN A 104 -6.103 8.478 0.116 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.021 10.982 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.201 9.871 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.760 10.862 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.078 11.844 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.535 12.002 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.671 14.239 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.351 15.187 -0.827 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.687 9.364 -2.832 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.187 8.475 -3.843 1.00 0.00 C ATOM 1660 C LYS A 105 -7.161 8.405 -4.966 1.00 0.00 C ATOM 1661 O LYS A 105 -6.311 9.262 -5.154 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.579 8.881 -4.337 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.697 9.852 -5.496 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.607 11.270 -5.128 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.793 11.799 -4.340 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.501 12.696 -3.193 1.00 0.00 N ATOM 0 H LYS A 105 -8.192 10.247 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.322 7.479 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.107 7.969 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.115 9.312 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.912 9.629 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.650 9.682 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.701 11.422 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.500 11.861 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.445 12.335 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.358 10.945 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.393 12.985 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.910 12.193 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.995 13.539 -3.532 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.412 7.364 -5.748 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.560 7.033 -6.874 1.00 0.00 C ATOM 1682 C LEU A 106 -6.862 7.945 -8.082 1.00 0.00 C ATOM 1683 O LEU A 106 -7.954 7.891 -8.632 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.682 5.522 -7.151 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.339 4.633 -5.950 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.495 3.162 -6.351 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -4.919 4.864 -5.400 1.00 0.00 C ATOM 0 H LEU A 106 -8.203 6.734 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.512 7.229 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.701 5.304 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.025 5.262 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.031 4.900 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.252 2.525 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.523 2.977 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.821 2.937 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.745 4.202 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.188 4.654 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.818 5.900 -5.078 1.00 0.00 H new ATOM 1699 N THR A 107 -5.832 8.783 -8.446 1.00 0.00 N ATOM 1700 CA THR A 107 -6.017 9.736 -9.550 1.00 0.00 C ATOM 1701 C THR A 107 -5.347 9.272 -10.853 1.00 0.00 C ATOM 1702 O THR A 107 -6.066 8.739 -11.692 1.00 0.00 O ATOM 1703 CB THR A 107 -5.647 11.233 -9.270 1.00 0.00 C ATOM 1704 OG1 THR A 107 -4.222 11.613 -9.569 1.00 0.00 O ATOM 1705 CG2 THR A 107 -6.053 11.532 -7.790 1.00 0.00 C ATOM 0 H THR A 107 -4.914 8.805 -8.002 1.00 0.00 H new ATOM 0 HA THR A 107 -7.101 9.729 -9.661 1.00 0.00 H new ATOM 0 HB THR A 107 -6.201 11.861 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.197 12.198 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.813 12.568 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.124 11.369 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.506 10.868 -7.121 1.00 0.00 H new ATOM 1713 N LEU A 108 -4.008 9.459 -11.028 1.00 0.00 N ATOM 1714 CA LEU A 108 -3.444 9.059 -12.328 1.00 0.00 C ATOM 1715 C LEU A 108 -2.086 8.416 -12.110 1.00 0.00 C ATOM 1716 O LEU A 108 -1.259 9.023 -11.459 1.00 0.00 O ATOM 1717 CB LEU A 108 -3.272 10.256 -13.270 1.00 0.00 C ATOM 1718 CG LEU A 108 -4.598 10.774 -13.873 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -4.833 12.268 -13.643 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -4.658 10.490 -15.374 1.00 0.00 C ATOM 0 H LEU A 108 -3.357 9.849 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.140 8.357 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.790 11.068 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.601 9.974 -14.081 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.387 10.233 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.782 12.561 -14.093 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.861 12.471 -12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.024 12.838 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.599 10.863 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.827 10.989 -15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.591 9.415 -15.544 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.834 7.201 -12.688 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.556 6.498 -12.525 1.00 0.00 C ATOM 1734 C PRO A 109 0.678 7.353 -12.947 1.00 0.00 C ATOM 1735 O PRO A 109 0.552 8.375 -13.611 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.653 5.225 -13.395 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.037 5.243 -14.055 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.753 6.522 -13.594 1.00 0.00 C ATOM 0 HA PRO A 109 -0.397 6.271 -11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.134 5.211 -14.149 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.527 4.330 -12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.944 5.226 -15.141 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.609 4.360 -13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.001 7.157 -14.445 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.690 6.283 -13.091 1.00 0.00 H new ATOM 1746 N CYS A 110 1.870 6.763 -12.684 1.00 0.00 N ATOM 1747 CA CYS A 110 3.115 7.492 -12.951 1.00 0.00 C ATOM 1748 C CYS A 110 3.381 7.703 -14.446 1.00 0.00 C ATOM 1749 O CYS A 110 2.834 7.030 -15.301 1.00 0.00 O ATOM 1750 CB CYS A 110 4.288 6.708 -12.353 1.00 0.00 C ATOM 1751 SG CYS A 110 5.846 7.632 -12.407 1.00 0.00 S ATOM 0 H CYS A 110 1.986 5.824 -12.303 1.00 0.00 H new ATOM 0 HA CYS A 110 3.013 8.477 -12.495 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.058 6.451 -11.319 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.407 5.770 -12.896 1.00 0.00 H new ATOM 0 HG CYS A 110 5.594 8.899 -12.554 1.00 0.00 H new