USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 57 TYR OH : rot 180:sc=-0.00304 USER MOD Set 1.2: A 66 GLN : amide:sc= 0 K(o=-0.003,f=0.53) USER MOD Single : A 16 THR OG1 : rot -32:sc= 0.693 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.7!) USER MOD Single : A 28 ASN : amide:sc= -1.55 X(o=-1.5,f=-2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.23! C(o=-5.2!,f=-4.2!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -25:sc= -0.982 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.21 (180deg=0.184) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 60 SER OG : rot -175:sc= -1.1 USER MOD Single : A 69 ASN : amide:sc= -0.0493 X(o=-0.049,f=-0.1) USER MOD Single : A 70 THR OG1 : rot 159:sc= -0.104 USER MOD Single : A 71 ASN : amide:sc= -0.273 K(o=-0.27,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 61:sc= 0.0862 USER MOD Single : A 74 SER OG : rot 180:sc= -0.215 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.819 USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= -0.509 (180deg=-1.38) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 93 THR OG1 : rot 107:sc= -1.28 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 66:sc= -2.6! USER MOD Single : A 101 SER OG : rot 100:sc= -0.331 USER MOD Single : A 103 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.025 -24.711 -0.835 1.00 0.00 N ATOM 199 CA THR A 16 -5.136 -23.872 -1.621 1.00 0.00 C ATOM 200 C THR A 16 -5.582 -22.410 -1.550 1.00 0.00 C ATOM 201 O THR A 16 -6.743 -22.125 -1.261 1.00 0.00 O ATOM 202 CB THR A 16 -5.098 -24.427 -3.046 1.00 0.00 C ATOM 203 OG1 THR A 16 -6.465 -24.687 -3.354 1.00 0.00 O ATOM 204 CG2 THR A 16 -4.432 -25.802 -3.121 1.00 0.00 C ATOM 0 HA THR A 16 -4.121 -23.890 -1.223 1.00 0.00 H new ATOM 0 HB THR A 16 -4.566 -23.730 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.940 -24.951 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.431 -26.150 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.405 -25.729 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.984 -26.508 -2.501 1.00 0.00 H new ATOM 212 N PRO A 17 -4.610 -21.499 -1.825 1.00 0.00 N ATOM 213 CA PRO A 17 -4.891 -20.074 -1.795 1.00 0.00 C ATOM 214 C PRO A 17 -5.689 -19.646 -3.028 1.00 0.00 C ATOM 215 O PRO A 17 -5.566 -20.250 -4.093 1.00 0.00 O ATOM 216 CB PRO A 17 -3.528 -19.406 -1.710 1.00 0.00 C ATOM 217 CG PRO A 17 -2.522 -20.453 -2.162 1.00 0.00 C ATOM 218 CD PRO A 17 -3.224 -21.801 -2.171 1.00 0.00 C ATOM 0 HA PRO A 17 -5.515 -19.787 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.485 -18.523 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.318 -19.076 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.142 -20.214 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.664 -20.474 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.155 -22.277 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.776 -22.486 -1.451 1.00 0.00 H new ATOM 226 N PRO A 18 -6.512 -18.580 -2.839 1.00 0.00 N ATOM 227 CA PRO A 18 -7.331 -18.064 -3.923 1.00 0.00 C ATOM 228 C PRO A 18 -6.483 -17.277 -4.924 1.00 0.00 C ATOM 229 O PRO A 18 -5.592 -16.524 -4.531 1.00 0.00 O ATOM 230 CB PRO A 18 -8.392 -17.214 -3.244 1.00 0.00 C ATOM 231 CG PRO A 18 -7.855 -16.907 -1.856 1.00 0.00 C ATOM 232 CD PRO A 18 -6.684 -17.840 -1.592 1.00 0.00 C ATOM 0 HA PRO A 18 -7.792 -18.854 -4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.575 -16.297 -3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.341 -17.747 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.536 -15.867 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.633 -17.049 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.783 -17.282 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.892 -18.511 -0.759 1.00 0.00 H new ATOM 240 N SER A 19 -6.789 -17.476 -6.197 1.00 0.00 N ATOM 241 CA SER A 19 -6.067 -16.794 -7.257 1.00 0.00 C ATOM 242 C SER A 19 -6.723 -15.444 -7.553 1.00 0.00 C ATOM 243 O SER A 19 -6.781 -15.018 -8.705 1.00 0.00 O ATOM 244 CB SER A 19 -6.013 -17.648 -8.525 1.00 0.00 C ATOM 245 OG SER A 19 -4.687 -17.765 -9.034 1.00 0.00 O ATOM 0 H SER A 19 -7.528 -18.101 -6.519 1.00 0.00 H new ATOM 0 HA SER A 19 -5.044 -16.627 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.408 -18.641 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.656 -17.207 -9.287 1.00 0.00 H new ATOM 0 HG SER A 19 -4.695 -18.319 -9.842 1.00 0.00 H new ATOM 251 N GLN A 20 -7.201 -14.810 -6.493 1.00 0.00 N ATOM 252 CA GLN A 20 -7.852 -13.517 -6.625 1.00 0.00 C ATOM 253 C GLN A 20 -7.054 -12.443 -5.882 1.00 0.00 C ATOM 254 O GLN A 20 -7.025 -12.426 -4.653 1.00 0.00 O ATOM 255 CB GLN A 20 -9.295 -13.575 -6.120 1.00 0.00 C ATOM 256 CG GLN A 20 -9.711 -12.243 -5.494 1.00 0.00 C ATOM 257 CD GLN A 20 -11.231 -12.157 -5.345 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.844 -12.861 -4.560 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.803 -11.259 -6.142 1.00 0.00 N ATOM 0 H GLN A 20 -7.151 -15.167 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.882 -13.254 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.964 -13.817 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.395 -14.373 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.240 -12.133 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.356 -11.420 -6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.230 -10.702 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.814 -11.127 -6.119 1.00 0.00 H new ATOM 268 N PRO A 21 -6.410 -11.550 -6.681 1.00 0.00 N ATOM 269 CA PRO A 21 -5.614 -10.476 -6.112 1.00 0.00 C ATOM 270 C PRO A 21 -6.509 -9.373 -5.542 1.00 0.00 C ATOM 271 O PRO A 21 -7.648 -9.207 -5.975 1.00 0.00 O ATOM 272 CB PRO A 21 -4.731 -9.995 -7.252 1.00 0.00 C ATOM 273 CG PRO A 21 -5.387 -10.496 -8.528 1.00 0.00 C ATOM 274 CD PRO A 21 -6.422 -11.540 -8.140 1.00 0.00 C ATOM 0 HA PRO A 21 -5.008 -10.803 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.653 -8.908 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.719 -10.387 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.858 -9.672 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.642 -10.927 -9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.408 -11.282 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.167 -12.519 -8.545 1.00 0.00 H new ATOM 282 N PRO A 22 -5.944 -8.629 -4.554 1.00 0.00 N ATOM 283 CA PRO A 22 -6.678 -7.546 -3.920 1.00 0.00 C ATOM 284 C PRO A 22 -6.759 -6.327 -4.840 1.00 0.00 C ATOM 285 O PRO A 22 -5.736 -5.825 -5.303 1.00 0.00 O ATOM 286 CB PRO A 22 -5.929 -7.267 -2.628 1.00 0.00 C ATOM 287 CG PRO A 22 -4.548 -7.877 -2.806 1.00 0.00 C ATOM 288 CD PRO A 22 -4.598 -8.797 -4.015 1.00 0.00 C ATOM 0 HA PRO A 22 -7.717 -7.805 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.861 -6.196 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.444 -7.709 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.801 -7.096 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.258 -8.433 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.840 -8.526 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.411 -9.833 -3.732 1.00 0.00 H new ATOM 296 N GLY A 23 -7.986 -5.885 -5.078 1.00 0.00 N ATOM 297 CA GLY A 23 -8.214 -4.734 -5.935 1.00 0.00 C ATOM 298 C GLY A 23 -8.380 -3.458 -5.106 1.00 0.00 C ATOM 299 O GLY A 23 -8.243 -3.486 -3.884 1.00 0.00 O ATOM 0 H GLY A 23 -8.832 -6.304 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.378 -4.618 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.106 -4.897 -6.540 1.00 0.00 H new ATOM 303 N ASN A 24 -8.673 -2.371 -5.804 1.00 0.00 N ATOM 304 CA ASN A 24 -8.859 -1.088 -5.148 1.00 0.00 C ATOM 305 C ASN A 24 -7.610 -0.752 -4.331 1.00 0.00 C ATOM 306 O ASN A 24 -7.676 0.028 -3.382 1.00 0.00 O ATOM 307 CB ASN A 24 -10.053 -1.126 -4.193 1.00 0.00 C ATOM 308 CG ASN A 24 -10.822 0.196 -4.223 1.00 0.00 C ATOM 309 OD1 ASN A 24 -10.619 1.043 -5.078 1.00 0.00 O ATOM 310 ND2 ASN A 24 -11.714 0.326 -3.245 1.00 0.00 N ATOM 0 H ASN A 24 -8.786 -2.352 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.037 -0.338 -5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.718 -1.944 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.706 -1.326 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.278 1.173 -3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.834 -0.422 -2.562 1.00 0.00 H new ATOM 317 N VAL A 25 -6.500 -1.357 -4.730 1.00 0.00 N ATOM 318 CA VAL A 25 -5.238 -1.132 -4.046 1.00 0.00 C ATOM 319 C VAL A 25 -4.818 0.328 -4.228 1.00 0.00 C ATOM 320 O VAL A 25 -4.129 0.665 -5.190 1.00 0.00 O ATOM 321 CB VAL A 25 -4.187 -2.123 -4.549 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.902 -2.025 -3.723 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.734 -3.552 -4.544 1.00 0.00 C ATOM 0 H VAL A 25 -6.449 -2.002 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.346 -1.308 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.945 -1.861 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.171 -2.740 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.496 -1.016 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.122 -2.249 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.967 -4.237 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.018 -3.829 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.607 -3.610 -5.194 1.00 0.00 H new ATOM 333 N VAL A 26 -5.250 1.157 -3.289 1.00 0.00 N ATOM 334 CA VAL A 26 -4.928 2.573 -3.333 1.00 0.00 C ATOM 335 C VAL A 26 -3.890 2.889 -2.255 1.00 0.00 C ATOM 336 O VAL A 26 -3.765 2.157 -1.274 1.00 0.00 O ATOM 337 CB VAL A 26 -6.205 3.405 -3.196 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.214 3.044 -4.288 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.820 3.240 -1.805 1.00 0.00 C ATOM 0 H VAL A 26 -5.821 0.875 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.488 2.835 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.937 4.454 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.112 3.649 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.775 3.236 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.474 1.989 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.726 3.842 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.067 2.191 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.106 3.569 -1.050 1.00 0.00 H new ATOM 349 N TRP A 27 -3.171 3.981 -2.473 1.00 0.00 N ATOM 350 CA TRP A 27 -2.147 4.403 -1.532 1.00 0.00 C ATOM 351 C TRP A 27 -2.343 5.895 -1.259 1.00 0.00 C ATOM 352 O TRP A 27 -3.233 6.523 -1.831 1.00 0.00 O ATOM 353 CB TRP A 27 -0.749 4.069 -2.056 1.00 0.00 C ATOM 354 CG TRP A 27 -0.434 4.682 -3.422 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.758 4.209 -4.633 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.284 5.909 -3.668 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.302 5.038 -5.638 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.352 6.105 -5.033 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.858 6.824 -2.768 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.985 7.208 -5.619 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.487 7.921 -3.370 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.564 8.132 -4.741 1.00 0.00 C ATOM 0 H TRP A 27 -3.277 4.586 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.241 3.861 -0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.009 4.415 -1.334 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.646 2.986 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.307 3.294 -4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.423 4.894 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.817 6.691 -1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.024 7.339 -6.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.944 8.655 -2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.068 9.005 -5.128 1.00 0.00 H new ATOM 373 N ASN A 28 -1.497 6.420 -0.385 1.00 0.00 N ATOM 374 CA ASN A 28 -1.566 7.827 -0.029 1.00 0.00 C ATOM 375 C ASN A 28 -0.319 8.208 0.772 1.00 0.00 C ATOM 376 O ASN A 28 0.383 7.338 1.285 1.00 0.00 O ATOM 377 CB ASN A 28 -2.792 8.117 0.839 1.00 0.00 C ATOM 378 CG ASN A 28 -4.017 8.420 -0.026 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.957 9.158 -0.996 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.128 7.812 0.378 1.00 0.00 N ATOM 0 H ASN A 28 -0.760 5.896 0.087 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.633 8.405 -0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.998 7.260 1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.586 8.964 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.000 7.951 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.109 7.207 1.199 1.00 0.00 H new ATOM 387 N ALA A 29 -0.082 9.509 0.855 1.00 0.00 N ATOM 388 CA ALA A 29 1.068 10.015 1.585 1.00 0.00 C ATOM 389 C ALA A 29 0.648 11.237 2.405 1.00 0.00 C ATOM 390 O ALA A 29 0.184 12.232 1.851 1.00 0.00 O ATOM 391 CB ALA A 29 2.197 10.332 0.603 1.00 0.00 C ATOM 0 H ALA A 29 -0.667 10.228 0.429 1.00 0.00 H new ATOM 0 HA ALA A 29 1.442 9.264 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.060 10.712 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.478 9.426 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.859 11.085 -0.109 1.00 0.00 H new ATOM 397 N THR A 30 0.827 11.121 3.713 1.00 0.00 N ATOM 398 CA THR A 30 0.473 12.204 4.615 1.00 0.00 C ATOM 399 C THR A 30 1.526 12.348 5.715 1.00 0.00 C ATOM 400 O THR A 30 2.114 11.359 6.150 1.00 0.00 O ATOM 401 CB THR A 30 -0.933 11.930 5.153 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.915 12.480 6.468 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.195 10.439 5.376 1.00 0.00 C ATOM 0 H THR A 30 1.212 10.294 4.169 1.00 0.00 H new ATOM 0 HA THR A 30 0.458 13.162 4.096 1.00 0.00 H new ATOM 0 HB THR A 30 -1.671 12.328 4.457 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.789 12.347 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.206 10.300 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.088 9.905 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.478 10.047 6.097 1.00 0.00 H new ATOM 411 N ASP A 31 1.733 13.588 6.133 1.00 0.00 N ATOM 412 CA ASP A 31 2.706 13.874 7.174 1.00 0.00 C ATOM 413 C ASP A 31 4.041 13.221 6.812 1.00 0.00 C ATOM 414 O ASP A 31 4.869 13.827 6.134 1.00 0.00 O ATOM 415 CB ASP A 31 2.253 13.309 8.522 1.00 0.00 C ATOM 416 CG ASP A 31 1.298 14.206 9.311 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.766 15.152 8.692 1.00 0.00 O ATOM 418 OD2 ASP A 31 1.121 13.924 10.516 1.00 0.00 O ATOM 0 H ASP A 31 1.244 14.406 5.770 1.00 0.00 H new ATOM 0 HA ASP A 31 2.807 14.956 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.767 12.348 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.135 13.116 9.133 1.00 0.00 H new ATOM 423 N THR A 32 4.209 11.993 7.280 1.00 0.00 N ATOM 424 CA THR A 32 5.430 11.251 7.014 1.00 0.00 C ATOM 425 C THR A 32 5.161 9.746 7.065 1.00 0.00 C ATOM 426 O THR A 32 5.940 8.992 7.646 1.00 0.00 O ATOM 427 CB THR A 32 6.491 11.713 8.014 1.00 0.00 C ATOM 428 OG1 THR A 32 5.884 11.504 9.286 1.00 0.00 O ATOM 429 CG2 THR A 32 6.730 13.223 7.959 1.00 0.00 C ATOM 0 H THR A 32 3.520 11.493 7.842 1.00 0.00 H new ATOM 0 HA THR A 32 5.802 11.449 6.009 1.00 0.00 H new ATOM 0 HB THR A 32 7.427 11.190 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.505 11.776 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.492 13.498 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.066 13.502 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.802 13.747 8.189 1.00 0.00 H new ATOM 437 N LYS A 33 4.056 9.353 6.448 1.00 0.00 N ATOM 438 CA LYS A 33 3.674 7.952 6.416 1.00 0.00 C ATOM 439 C LYS A 33 2.924 7.662 5.115 1.00 0.00 C ATOM 440 O LYS A 33 2.458 8.582 4.445 1.00 0.00 O ATOM 441 CB LYS A 33 2.888 7.581 7.675 1.00 0.00 C ATOM 442 CG LYS A 33 2.418 6.126 7.620 1.00 0.00 C ATOM 443 CD LYS A 33 1.709 5.730 8.916 1.00 0.00 C ATOM 444 CE LYS A 33 2.591 4.813 9.767 1.00 0.00 C ATOM 445 NZ LYS A 33 3.565 5.610 10.546 1.00 0.00 N ATOM 0 H LYS A 33 3.413 9.981 5.966 1.00 0.00 H new ATOM 0 HA LYS A 33 4.559 7.316 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.513 7.732 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.027 8.241 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.742 5.990 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.272 5.470 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.455 6.625 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.772 5.224 8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.970 4.225 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.119 4.108 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.156 4.973 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.169 6.152 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.055 6.265 11.172 1.00 0.00 H new ATOM 459 N VAL A 34 2.830 6.379 4.796 1.00 0.00 N ATOM 460 CA VAL A 34 2.144 5.956 3.587 1.00 0.00 C ATOM 461 C VAL A 34 0.954 5.071 3.964 1.00 0.00 C ATOM 462 O VAL A 34 1.127 3.897 4.288 1.00 0.00 O ATOM 463 CB VAL A 34 3.128 5.264 2.642 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.389 4.542 1.514 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.144 6.262 2.082 1.00 0.00 C ATOM 0 H VAL A 34 3.218 5.619 5.354 1.00 0.00 H new ATOM 0 HA VAL A 34 1.750 6.819 3.050 1.00 0.00 H new ATOM 0 HB VAL A 34 3.675 4.516 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.112 4.059 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.724 3.790 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.804 5.263 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.832 5.744 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.621 7.043 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.704 6.710 2.903 1.00 0.00 H new ATOM 475 N LEU A 35 -0.227 5.668 3.910 1.00 0.00 N ATOM 476 CA LEU A 35 -1.446 4.949 4.242 1.00 0.00 C ATOM 477 C LEU A 35 -1.908 4.149 3.022 1.00 0.00 C ATOM 478 O LEU A 35 -2.300 4.726 2.009 1.00 0.00 O ATOM 479 CB LEU A 35 -2.505 5.911 4.784 1.00 0.00 C ATOM 480 CG LEU A 35 -2.044 6.860 5.892 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.213 7.693 6.422 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.333 6.094 7.010 1.00 0.00 C ATOM 0 H LEU A 35 -0.366 6.642 3.641 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.261 4.233 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.883 6.509 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.342 5.324 5.161 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.320 7.555 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.858 8.359 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.636 8.284 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.978 7.030 6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.016 6.792 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.016 5.361 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.461 5.583 6.603 1.00 0.00 H new ATOM 494 N LEU A 36 -1.847 2.833 3.160 1.00 0.00 N ATOM 495 CA LEU A 36 -2.255 1.948 2.083 1.00 0.00 C ATOM 496 C LEU A 36 -3.697 1.494 2.319 1.00 0.00 C ATOM 497 O LEU A 36 -4.196 1.560 3.442 1.00 0.00 O ATOM 498 CB LEU A 36 -1.263 0.792 1.934 1.00 0.00 C ATOM 499 CG LEU A 36 0.162 1.179 1.536 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.001 -0.062 1.223 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.156 2.174 0.373 1.00 0.00 C ATOM 0 H LEU A 36 -1.521 2.358 4.002 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.239 2.476 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.221 0.251 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.652 0.099 1.188 1.00 0.00 H new ATOM 0 HG LEU A 36 0.629 1.678 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.010 0.242 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.046 -0.702 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.545 -0.611 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.182 2.432 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.337 1.724 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.381 3.075 0.668 1.00 0.00 H new ATOM 513 N ASN A 37 -4.326 1.043 1.244 1.00 0.00 N ATOM 514 CA ASN A 37 -5.700 0.578 1.320 1.00 0.00 C ATOM 515 C ASN A 37 -6.031 -0.232 0.065 1.00 0.00 C ATOM 516 O ASN A 37 -5.823 0.237 -1.053 1.00 0.00 O ATOM 517 CB ASN A 37 -6.676 1.754 1.394 1.00 0.00 C ATOM 518 CG ASN A 37 -6.107 2.886 2.253 1.00 0.00 C ATOM 519 OD1 ASN A 37 -6.394 3.009 3.432 1.00 0.00 O ATOM 520 ND2 ASN A 37 -5.287 3.702 1.598 1.00 0.00 N ATOM 0 H ASN A 37 -3.909 0.990 0.315 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.800 -0.031 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.883 2.124 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.625 1.418 1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.855 4.489 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.089 3.541 0.610 1.00 0.00 H new ATOM 527 N TRP A 38 -6.540 -1.434 0.292 1.00 0.00 N ATOM 528 CA TRP A 38 -6.901 -2.314 -0.806 1.00 0.00 C ATOM 529 C TRP A 38 -8.131 -3.119 -0.382 1.00 0.00 C ATOM 530 O TRP A 38 -8.326 -3.382 0.803 1.00 0.00 O ATOM 531 CB TRP A 38 -5.719 -3.197 -1.213 1.00 0.00 C ATOM 532 CG TRP A 38 -5.218 -4.117 -0.098 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.642 -5.351 0.207 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.173 -3.824 0.853 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.950 -5.873 1.281 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.028 -4.915 1.686 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.376 -2.675 1.005 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.095 -4.965 2.729 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.449 -2.741 2.052 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.291 -3.832 2.899 1.00 0.00 C ATOM 0 H TRP A 38 -6.711 -1.819 1.221 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.153 -1.737 -1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.011 -3.806 -2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.898 -2.559 -1.541 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.427 -5.872 -0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.089 -6.792 1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.472 -1.810 0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.001 -5.831 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.812 -1.884 2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.551 -3.805 3.685 1.00 0.00 H new ATOM 551 N GLU A 39 -8.928 -3.487 -1.374 1.00 0.00 N ATOM 552 CA GLU A 39 -10.134 -4.257 -1.119 1.00 0.00 C ATOM 553 C GLU A 39 -9.783 -5.583 -0.440 1.00 0.00 C ATOM 554 O GLU A 39 -8.617 -5.847 -0.151 1.00 0.00 O ATOM 555 CB GLU A 39 -10.917 -4.493 -2.412 1.00 0.00 C ATOM 556 CG GLU A 39 -12.268 -3.776 -2.372 1.00 0.00 C ATOM 557 CD GLU A 39 -13.395 -4.749 -2.019 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.354 -5.881 -2.547 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.273 -4.338 -1.230 1.00 0.00 O ATOM 0 H GLU A 39 -8.762 -3.266 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.772 -3.685 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.337 -4.136 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.072 -5.562 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.235 -2.971 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.469 -3.317 -3.340 1.00 0.00 H new ATOM 566 N GLN A 40 -10.814 -6.382 -0.206 1.00 0.00 N ATOM 567 CA GLN A 40 -10.630 -7.673 0.434 1.00 0.00 C ATOM 568 C GLN A 40 -10.732 -8.797 -0.600 1.00 0.00 C ATOM 569 O GLN A 40 -11.314 -8.611 -1.668 1.00 0.00 O ATOM 570 CB GLN A 40 -11.640 -7.875 1.564 1.00 0.00 C ATOM 571 CG GLN A 40 -13.070 -7.652 1.068 1.00 0.00 C ATOM 572 CD GLN A 40 -14.091 -8.116 2.109 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.770 -8.383 3.255 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.336 -8.197 1.647 1.00 0.00 N ATOM 0 H GLN A 40 -11.780 -6.160 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.633 -7.699 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.544 -8.883 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.422 -7.185 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.222 -6.595 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.224 -8.195 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.536 -7.958 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.090 -8.498 2.264 1.00 0.00 H new ATOM 583 N VAL A 41 -10.158 -9.937 -0.247 1.00 0.00 N ATOM 584 CA VAL A 41 -10.177 -11.090 -1.130 1.00 0.00 C ATOM 585 C VAL A 41 -10.960 -12.224 -0.465 1.00 0.00 C ATOM 586 O VAL A 41 -10.581 -12.702 0.603 1.00 0.00 O ATOM 587 CB VAL A 41 -8.748 -11.489 -1.502 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.689 -12.943 -1.975 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.173 -10.545 -2.560 1.00 0.00 C ATOM 0 H VAL A 41 -9.676 -10.087 0.640 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.685 -10.847 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.133 -11.403 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.662 -13.200 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.038 -13.599 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.325 -13.067 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.156 -10.851 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.791 -10.584 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.161 -9.527 -2.171 1.00 0.00 H new ATOM 599 N LYS A 42 -12.038 -12.622 -1.124 1.00 0.00 N ATOM 600 CA LYS A 42 -12.878 -13.691 -0.610 1.00 0.00 C ATOM 601 C LYS A 42 -12.738 -14.921 -1.509 1.00 0.00 C ATOM 602 O LYS A 42 -13.107 -14.882 -2.682 1.00 0.00 O ATOM 603 CB LYS A 42 -14.320 -13.208 -0.448 1.00 0.00 C ATOM 604 CG LYS A 42 -14.537 -12.579 0.929 1.00 0.00 C ATOM 605 CD LYS A 42 -16.010 -12.224 1.145 1.00 0.00 C ATOM 606 CE LYS A 42 -16.514 -12.765 2.484 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.740 -12.051 2.903 1.00 0.00 N ATOM 0 H LYS A 42 -12.349 -12.223 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.552 -13.986 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.553 -12.480 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.005 -14.046 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.209 -13.271 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.926 -11.682 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.135 -11.142 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.610 -12.636 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.719 -13.832 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.741 -12.649 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.069 -12.431 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.533 -11.037 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.481 -12.183 2.185 1.00 0.00 H new ATOM 621 N ALA A 43 -12.204 -15.984 -0.925 1.00 0.00 N ATOM 622 CA ALA A 43 -12.011 -17.223 -1.659 1.00 0.00 C ATOM 623 C ALA A 43 -13.361 -17.919 -1.841 1.00 0.00 C ATOM 624 O ALA A 43 -14.273 -17.731 -1.037 1.00 0.00 O ATOM 625 CB ALA A 43 -10.997 -18.100 -0.922 1.00 0.00 C ATOM 0 H ALA A 43 -11.899 -16.013 0.048 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.608 -17.022 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.852 -19.030 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.047 -17.572 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.369 -18.325 0.078 1.00 0.00 H new ATOM 677 N GLU A 47 -11.888 -23.031 -1.959 1.00 0.00 N ATOM 678 CA GLU A 47 -10.571 -22.451 -1.757 1.00 0.00 C ATOM 679 C GLU A 47 -10.377 -22.073 -0.288 1.00 0.00 C ATOM 680 O GLU A 47 -11.228 -22.367 0.550 1.00 0.00 O ATOM 681 CB GLU A 47 -10.360 -21.240 -2.668 1.00 0.00 C ATOM 682 CG GLU A 47 -10.047 -21.678 -4.100 1.00 0.00 C ATOM 683 CD GLU A 47 -8.739 -21.055 -4.591 1.00 0.00 C ATOM 684 OE1 GLU A 47 -7.709 -21.298 -3.925 1.00 0.00 O ATOM 685 OE2 GLU A 47 -8.798 -20.349 -5.621 1.00 0.00 O ATOM 0 HA GLU A 47 -9.822 -23.198 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.254 -20.616 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.543 -20.630 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.975 -22.765 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.864 -21.385 -4.760 1.00 0.00 H new ATOM 692 N SER A 48 -9.252 -21.426 -0.020 1.00 0.00 N ATOM 693 CA SER A 48 -8.935 -21.005 1.334 1.00 0.00 C ATOM 694 C SER A 48 -9.148 -19.496 1.476 1.00 0.00 C ATOM 695 O SER A 48 -8.606 -18.713 0.697 1.00 0.00 O ATOM 696 CB SER A 48 -7.498 -21.375 1.705 1.00 0.00 C ATOM 697 OG SER A 48 -7.422 -22.647 2.342 1.00 0.00 O ATOM 0 H SER A 48 -8.549 -21.183 -0.718 1.00 0.00 H new ATOM 0 HA SER A 48 -9.603 -21.527 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.882 -21.382 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.087 -20.613 2.367 1.00 0.00 H new ATOM 0 HG SER A 48 -6.488 -22.848 2.562 1.00 0.00 H new ATOM 703 N GLU A 49 -9.938 -19.133 2.475 1.00 0.00 N ATOM 704 CA GLU A 49 -10.228 -17.732 2.729 1.00 0.00 C ATOM 705 C GLU A 49 -8.948 -16.984 3.107 1.00 0.00 C ATOM 706 O GLU A 49 -7.931 -17.604 3.415 1.00 0.00 O ATOM 707 CB GLU A 49 -11.293 -17.581 3.817 1.00 0.00 C ATOM 708 CG GLU A 49 -10.685 -17.767 5.209 1.00 0.00 C ATOM 709 CD GLU A 49 -11.703 -18.376 6.175 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.624 -17.630 6.573 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.537 -19.573 6.494 1.00 0.00 O ATOM 0 H GLU A 49 -10.387 -19.785 3.119 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.625 -17.292 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.753 -16.596 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.084 -18.314 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.809 -18.412 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.345 -16.805 5.593 1.00 0.00 H new ATOM 718 N VAL A 50 -9.040 -15.663 3.070 1.00 0.00 N ATOM 719 CA VAL A 50 -7.902 -14.824 3.405 1.00 0.00 C ATOM 720 C VAL A 50 -7.980 -14.432 4.882 1.00 0.00 C ATOM 721 O VAL A 50 -8.999 -13.917 5.338 1.00 0.00 O ATOM 722 CB VAL A 50 -7.848 -13.616 2.467 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.783 -12.616 2.922 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.608 -14.054 1.021 1.00 0.00 C ATOM 0 H VAL A 50 -9.885 -15.153 2.813 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.970 -15.370 3.263 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.816 -13.116 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.765 -11.767 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.017 -12.267 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.807 -13.100 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.574 -13.176 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.661 -14.589 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.418 -14.709 0.700 1.00 0.00 H new ATOM 734 N THR A 51 -6.889 -14.690 5.588 1.00 0.00 N ATOM 735 CA THR A 51 -6.821 -14.371 7.004 1.00 0.00 C ATOM 736 C THR A 51 -5.873 -13.193 7.240 1.00 0.00 C ATOM 737 O THR A 51 -5.815 -12.649 8.342 1.00 0.00 O ATOM 738 CB THR A 51 -6.413 -15.639 7.756 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.010 -15.741 7.530 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.986 -16.907 7.119 1.00 0.00 C ATOM 0 H THR A 51 -6.045 -15.116 5.206 1.00 0.00 H new ATOM 0 HA THR A 51 -7.791 -14.049 7.384 1.00 0.00 H new ATOM 0 HB THR A 51 -6.747 -15.570 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.662 -16.536 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.666 -17.778 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.075 -16.853 7.117 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.626 -16.994 6.094 1.00 0.00 H new ATOM 748 N GLY A 52 -5.153 -12.834 6.187 1.00 0.00 N ATOM 749 CA GLY A 52 -4.211 -11.731 6.265 1.00 0.00 C ATOM 750 C GLY A 52 -3.672 -11.370 4.880 1.00 0.00 C ATOM 751 O GLY A 52 -4.196 -11.831 3.867 1.00 0.00 O ATOM 0 H GLY A 52 -5.203 -13.288 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.699 -10.862 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.384 -12.000 6.922 1.00 0.00 H new ATOM 755 N TYR A 53 -2.632 -10.549 4.880 1.00 0.00 N ATOM 756 CA TYR A 53 -2.017 -10.121 3.635 1.00 0.00 C ATOM 757 C TYR A 53 -0.556 -9.721 3.854 1.00 0.00 C ATOM 758 O TYR A 53 -0.144 -9.456 4.983 1.00 0.00 O ATOM 759 CB TYR A 53 -2.806 -8.894 3.175 1.00 0.00 C ATOM 760 CG TYR A 53 -4.197 -9.217 2.628 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.256 -9.394 3.496 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.394 -9.332 1.267 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.566 -9.699 2.981 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.704 -9.637 0.752 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.725 -9.805 1.635 1.00 0.00 C ATOM 766 OH TYR A 53 -7.963 -10.093 1.149 1.00 0.00 O ATOM 0 H TYR A 53 -2.200 -10.169 5.722 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.033 -10.927 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.908 -8.205 4.014 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.235 -8.376 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.102 -9.304 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.566 -9.193 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.403 -9.840 3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.872 -9.730 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.481 -10.566 1.833 1.00 0.00 H new ATOM 776 N LYS A 54 0.187 -9.691 2.758 1.00 0.00 N ATOM 777 CA LYS A 54 1.592 -9.328 2.816 1.00 0.00 C ATOM 778 C LYS A 54 1.833 -8.095 1.942 1.00 0.00 C ATOM 779 O LYS A 54 1.603 -8.131 0.735 1.00 0.00 O ATOM 780 CB LYS A 54 2.471 -10.525 2.446 1.00 0.00 C ATOM 781 CG LYS A 54 2.391 -11.615 3.517 1.00 0.00 C ATOM 782 CD LYS A 54 3.277 -12.808 3.152 1.00 0.00 C ATOM 783 CE LYS A 54 3.636 -13.625 4.394 1.00 0.00 C ATOM 784 NZ LYS A 54 4.728 -14.577 4.091 1.00 0.00 N ATOM 0 H LYS A 54 -0.158 -9.912 1.824 1.00 0.00 H new ATOM 0 HA LYS A 54 1.873 -9.058 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.154 -10.930 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.505 -10.200 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.701 -11.208 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.358 -11.945 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.760 -13.442 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.188 -12.455 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.941 -12.957 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.759 -14.169 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.856 -15.226 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.486 -15.123 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.610 -14.052 3.926 1.00 0.00 H new ATOM 798 N VAL A 55 2.293 -7.033 2.587 1.00 0.00 N ATOM 799 CA VAL A 55 2.568 -5.791 1.884 1.00 0.00 C ATOM 800 C VAL A 55 4.028 -5.781 1.426 1.00 0.00 C ATOM 801 O VAL A 55 4.928 -5.509 2.219 1.00 0.00 O ATOM 802 CB VAL A 55 2.211 -4.597 2.771 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.380 -3.280 2.012 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.792 -4.732 3.327 1.00 0.00 C ATOM 0 H VAL A 55 2.482 -7.007 3.589 1.00 0.00 H new ATOM 0 HA VAL A 55 1.947 -5.712 0.991 1.00 0.00 H new ATOM 0 HB VAL A 55 2.901 -4.588 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.120 -2.447 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.416 -3.177 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.725 -3.276 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.563 -3.870 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.081 -4.779 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.719 -5.643 3.921 1.00 0.00 H new ATOM 814 N PHE A 56 4.216 -6.081 0.150 1.00 0.00 N ATOM 815 CA PHE A 56 5.552 -6.110 -0.423 1.00 0.00 C ATOM 816 C PHE A 56 5.970 -4.721 -0.910 1.00 0.00 C ATOM 817 O PHE A 56 5.548 -4.281 -1.978 1.00 0.00 O ATOM 818 CB PHE A 56 5.505 -7.064 -1.618 1.00 0.00 C ATOM 819 CG PHE A 56 5.531 -8.545 -1.234 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.377 -9.178 -0.891 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.707 -9.227 -1.234 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.401 -10.553 -0.534 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.731 -10.602 -0.877 1.00 0.00 C ATOM 824 CZ PHE A 56 5.577 -11.235 -0.535 1.00 0.00 C ATOM 0 H PHE A 56 3.466 -6.306 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 56 6.272 -6.434 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.601 -6.864 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.352 -6.854 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.443 -8.636 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.623 -8.724 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.485 -11.056 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.665 -11.144 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.595 -12.280 -0.264 1.00 0.00 H new ATOM 834 N TYR A 57 6.794 -4.069 -0.103 1.00 0.00 N ATOM 835 CA TYR A 57 7.273 -2.739 -0.438 1.00 0.00 C ATOM 836 C TYR A 57 8.765 -2.764 -0.779 1.00 0.00 C ATOM 837 O TYR A 57 9.552 -3.410 -0.088 1.00 0.00 O ATOM 838 CB TYR A 57 7.062 -1.887 0.814 1.00 0.00 C ATOM 839 CG TYR A 57 7.588 -2.528 2.100 1.00 0.00 C ATOM 840 CD1 TYR A 57 8.892 -2.311 2.496 1.00 0.00 C ATOM 841 CD2 TYR A 57 6.758 -3.324 2.863 1.00 0.00 C ATOM 842 CE1 TYR A 57 9.387 -2.915 3.706 1.00 0.00 C ATOM 843 CE2 TYR A 57 7.253 -3.928 4.073 1.00 0.00 C ATOM 844 CZ TYR A 57 8.543 -3.694 4.435 1.00 0.00 C ATOM 845 OH TYR A 57 9.010 -4.264 5.578 1.00 0.00 O ATOM 0 H TYR A 57 7.142 -4.437 0.782 1.00 0.00 H new ATOM 0 HA TYR A 57 6.741 -2.346 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.554 -0.924 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.997 -1.687 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.541 -1.688 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.738 -3.494 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.405 -2.753 4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.614 -4.553 4.679 1.00 0.00 H new ATOM 0 HH TYR A 57 8.297 -4.792 5.995 1.00 0.00 H new ATOM 855 N ARG A 58 9.108 -2.053 -1.842 1.00 0.00 N ATOM 856 CA ARG A 58 10.491 -1.985 -2.283 1.00 0.00 C ATOM 857 C ARG A 58 10.727 -0.713 -3.100 1.00 0.00 C ATOM 858 O ARG A 58 9.845 -0.272 -3.836 1.00 0.00 O ATOM 859 CB ARG A 58 10.860 -3.204 -3.131 1.00 0.00 C ATOM 860 CG ARG A 58 9.717 -3.579 -4.077 1.00 0.00 C ATOM 861 CD ARG A 58 10.249 -4.278 -5.329 1.00 0.00 C ATOM 862 NE ARG A 58 10.735 -3.275 -6.302 1.00 0.00 N ATOM 863 CZ ARG A 58 11.260 -3.579 -7.496 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.370 -4.860 -7.873 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.675 -2.602 -8.314 1.00 0.00 N ATOM 0 H ARG A 58 8.452 -1.518 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 58 11.121 -1.971 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.760 -2.991 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.091 -4.048 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.014 -4.233 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.167 -2.682 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.058 -4.957 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.462 -4.882 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 58 10.666 -2.290 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.054 -5.604 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.770 -5.091 -8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.591 -1.627 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.075 -2.834 -9.223 1.00 0.00 H new ATOM 879 N THR A 59 11.920 -0.159 -2.942 1.00 0.00 N ATOM 880 CA THR A 59 12.282 1.054 -3.656 1.00 0.00 C ATOM 881 C THR A 59 12.370 0.782 -5.159 1.00 0.00 C ATOM 882 O THR A 59 12.184 -0.351 -5.600 1.00 0.00 O ATOM 883 CB THR A 59 13.586 1.583 -3.057 1.00 0.00 C ATOM 884 OG1 THR A 59 13.443 1.357 -1.657 1.00 0.00 O ATOM 885 CG2 THR A 59 13.712 3.103 -3.178 1.00 0.00 C ATOM 0 H THR A 59 12.648 -0.527 -2.330 1.00 0.00 H new ATOM 0 HA THR A 59 11.519 1.824 -3.541 1.00 0.00 H new ATOM 0 HB THR A 59 14.432 1.108 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.247 1.670 -1.191 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.655 3.426 -2.737 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.686 3.388 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.884 3.580 -2.653 1.00 0.00 H new ATOM 893 N SER A 60 12.653 1.840 -5.904 1.00 0.00 N ATOM 894 CA SER A 60 12.768 1.729 -7.348 1.00 0.00 C ATOM 895 C SER A 60 14.027 0.941 -7.714 1.00 0.00 C ATOM 896 O SER A 60 14.244 0.618 -8.881 1.00 0.00 O ATOM 897 CB SER A 60 12.797 3.111 -8.006 1.00 0.00 C ATOM 898 OG SER A 60 14.010 3.338 -8.717 1.00 0.00 O ATOM 0 H SER A 60 12.806 2.778 -5.535 1.00 0.00 H new ATOM 0 HA SER A 60 11.893 1.197 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.953 3.205 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.675 3.879 -7.242 1.00 0.00 H new ATOM 0 HG SER A 60 14.023 4.257 -9.056 1.00 0.00 H new ATOM 960 N VAL A 65 12.540 -7.406 -2.128 1.00 0.00 N ATOM 961 CA VAL A 65 11.434 -6.707 -1.497 1.00 0.00 C ATOM 962 C VAL A 65 11.156 -7.331 -0.128 1.00 0.00 C ATOM 963 O VAL A 65 11.436 -8.509 0.089 1.00 0.00 O ATOM 964 CB VAL A 65 10.213 -6.718 -2.419 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.762 -8.150 -2.714 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.069 -5.895 -1.823 1.00 0.00 C ATOM 0 HA VAL A 65 11.689 -5.660 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 65 10.502 -6.256 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.893 -8.130 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.572 -8.694 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.500 -8.648 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.213 -5.919 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.783 -6.315 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.395 -4.864 -1.687 1.00 0.00 H new ATOM 976 N GLN A 66 10.607 -6.515 0.759 1.00 0.00 N ATOM 977 CA GLN A 66 10.288 -6.972 2.101 1.00 0.00 C ATOM 978 C GLN A 66 8.815 -7.378 2.186 1.00 0.00 C ATOM 979 O GLN A 66 8.077 -7.259 1.210 1.00 0.00 O ATOM 980 CB GLN A 66 10.623 -5.901 3.140 1.00 0.00 C ATOM 981 CG GLN A 66 12.096 -5.975 3.548 1.00 0.00 C ATOM 982 CD GLN A 66 12.435 -4.894 4.576 1.00 0.00 C ATOM 983 OE1 GLN A 66 13.097 -3.910 4.286 1.00 0.00 O ATOM 984 NE2 GLN A 66 11.946 -5.130 5.790 1.00 0.00 N ATOM 0 H GLN A 66 10.375 -5.539 0.575 1.00 0.00 H new ATOM 0 HA GLN A 66 10.900 -7.847 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.404 -4.914 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.991 -6.032 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.313 -6.959 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.727 -5.855 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.400 -5.974 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.117 -4.467 6.546 1.00 0.00 H new ATOM 993 N VAL A 67 8.431 -7.847 3.364 1.00 0.00 N ATOM 994 CA VAL A 67 7.059 -8.271 3.590 1.00 0.00 C ATOM 995 C VAL A 67 6.590 -7.759 4.954 1.00 0.00 C ATOM 996 O VAL A 67 7.323 -7.845 5.938 1.00 0.00 O ATOM 997 CB VAL A 67 6.952 -9.791 3.453 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.674 -10.312 4.114 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.022 -10.215 1.985 1.00 0.00 C ATOM 0 H VAL A 67 9.046 -7.943 4.172 1.00 0.00 H new ATOM 0 HA VAL A 67 6.398 -7.843 2.837 1.00 0.00 H new ATOM 0 HB VAL A 67 7.802 -10.235 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.622 -11.395 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.682 -10.056 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.806 -9.856 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.944 -11.300 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.201 -9.756 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.971 -9.892 1.558 1.00 0.00 H new ATOM 1009 N LEU A 68 5.372 -7.237 4.967 1.00 0.00 N ATOM 1010 CA LEU A 68 4.797 -6.712 6.194 1.00 0.00 C ATOM 1011 C LEU A 68 3.526 -7.493 6.531 1.00 0.00 C ATOM 1012 O LEU A 68 2.640 -7.638 5.690 1.00 0.00 O ATOM 1013 CB LEU A 68 4.579 -5.202 6.079 1.00 0.00 C ATOM 1014 CG LEU A 68 3.343 -4.647 6.790 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.614 -3.249 7.349 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.123 -4.668 5.866 1.00 0.00 C ATOM 0 H LEU A 68 4.768 -7.166 4.148 1.00 0.00 H new ATOM 0 HA LEU A 68 5.486 -6.849 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.460 -4.697 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.512 -4.944 5.022 1.00 0.00 H new ATOM 0 HG LEU A 68 3.117 -5.295 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.720 -2.878 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.436 -3.296 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.879 -2.576 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.258 -4.268 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.323 -4.058 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.918 -5.693 5.558 1.00 0.00 H new ATOM 1028 N ASN A 69 3.477 -7.977 7.764 1.00 0.00 N ATOM 1029 CA ASN A 69 2.328 -8.740 8.223 1.00 0.00 C ATOM 1030 C ASN A 69 1.200 -7.778 8.602 1.00 0.00 C ATOM 1031 O ASN A 69 1.388 -6.893 9.435 1.00 0.00 O ATOM 1032 CB ASN A 69 2.677 -9.569 9.460 1.00 0.00 C ATOM 1033 CG ASN A 69 4.042 -10.243 9.302 1.00 0.00 C ATOM 1034 OD1 ASN A 69 5.059 -9.762 9.771 1.00 0.00 O ATOM 1035 ND2 ASN A 69 4.005 -11.382 8.615 1.00 0.00 N ATOM 0 H ASN A 69 4.214 -7.856 8.459 1.00 0.00 H new ATOM 0 HA ASN A 69 2.021 -9.406 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.684 -8.928 10.342 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.910 -10.326 9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.864 -11.909 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.118 -11.729 8.250 1.00 0.00 H new ATOM 1042 N THR A 70 0.054 -7.984 7.971 1.00 0.00 N ATOM 1043 CA THR A 70 -1.104 -7.146 8.231 1.00 0.00 C ATOM 1044 C THR A 70 -2.374 -7.997 8.301 1.00 0.00 C ATOM 1045 O THR A 70 -2.670 -8.753 7.378 1.00 0.00 O ATOM 1046 CB THR A 70 -1.157 -6.064 7.151 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.534 -5.698 7.092 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.858 -6.615 5.755 1.00 0.00 C ATOM 0 H THR A 70 -0.098 -8.719 7.280 1.00 0.00 H new ATOM 0 HA THR A 70 -1.026 -6.654 9.201 1.00 0.00 H new ATOM 0 HB THR A 70 -0.443 -5.277 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.620 -4.811 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.909 -5.806 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.140 -7.053 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.592 -7.379 5.500 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.090 -7.845 9.406 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.320 -8.590 9.608 1.00 0.00 C ATOM 1058 C ASN A 71 -5.513 -7.710 9.229 1.00 0.00 C ATOM 1059 O ASN A 71 -6.560 -7.765 9.873 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.482 -8.999 11.074 1.00 0.00 C ATOM 1061 CG ASN A 71 -4.242 -7.809 12.005 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -4.197 -6.662 11.590 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -4.092 -8.143 13.283 1.00 0.00 N ATOM 0 H ASN A 71 -2.841 -7.217 10.170 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.278 -9.484 8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.484 -9.396 11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.780 -9.799 11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.928 -7.420 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.141 -9.123 13.563 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.315 -6.919 8.185 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.361 -6.028 7.712 1.00 0.00 C ATOM 1072 C LYS A 72 -6.243 -5.869 6.195 1.00 0.00 C ATOM 1073 O LYS A 72 -5.442 -6.550 5.557 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.321 -4.702 8.474 1.00 0.00 C ATOM 1075 CG LYS A 72 -5.034 -3.933 8.169 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.173 -3.785 9.425 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.084 -2.729 9.223 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.223 -1.644 10.219 1.00 0.00 N ATOM 0 H LYS A 72 -4.446 -6.876 7.653 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.344 -6.455 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.185 -4.095 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.390 -4.892 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.469 -4.454 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.280 -2.947 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.802 -3.507 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.714 -4.743 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.101 -3.190 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.151 -2.317 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.476 -0.936 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.154 -1.193 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.136 -2.039 11.177 1.00 0.00 H new ATOM 1092 N THR A 73 -7.052 -4.965 5.662 1.00 0.00 N ATOM 1093 CA THR A 73 -7.047 -4.708 4.232 1.00 0.00 C ATOM 1094 C THR A 73 -6.237 -3.449 3.919 1.00 0.00 C ATOM 1095 O THR A 73 -6.182 -3.011 2.771 1.00 0.00 O ATOM 1096 CB THR A 73 -8.501 -4.627 3.762 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.203 -4.116 4.891 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.120 -6.007 3.531 1.00 0.00 C ATOM 0 H THR A 73 -7.715 -4.402 6.195 1.00 0.00 H new ATOM 0 HA THR A 73 -6.558 -5.515 3.687 1.00 0.00 H new ATOM 0 HB THR A 73 -8.552 -4.048 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.853 -3.230 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.152 -5.892 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.550 -6.538 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.100 -6.575 4.461 1.00 0.00 H new ATOM 1106 N SER A 74 -5.626 -2.903 4.960 1.00 0.00 N ATOM 1107 CA SER A 74 -4.821 -1.703 4.811 1.00 0.00 C ATOM 1108 C SER A 74 -3.418 -1.941 5.373 1.00 0.00 C ATOM 1109 O SER A 74 -3.092 -3.052 5.789 1.00 0.00 O ATOM 1110 CB SER A 74 -5.476 -0.509 5.507 1.00 0.00 C ATOM 1111 OG SER A 74 -5.981 -0.853 6.794 1.00 0.00 O ATOM 0 H SER A 74 -5.672 -3.270 5.911 1.00 0.00 H new ATOM 0 HA SER A 74 -4.746 -1.472 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.748 0.297 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.289 -0.130 4.888 1.00 0.00 H new ATOM 0 HG SER A 74 -6.390 -0.064 7.207 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.625 -0.879 5.369 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.265 -0.958 5.874 1.00 0.00 C ATOM 1119 C ALA A 75 -0.676 0.451 5.963 1.00 0.00 C ATOM 1120 O ALA A 75 -1.300 1.417 5.529 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.439 -1.880 4.974 1.00 0.00 C ATOM 0 H ALA A 75 -2.899 0.041 5.024 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.252 -1.384 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.581 -1.939 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.882 -2.876 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.427 -1.482 3.959 1.00 0.00 H new ATOM 1127 N GLU A 76 0.520 0.523 6.529 1.00 0.00 N ATOM 1128 CA GLU A 76 1.201 1.797 6.681 1.00 0.00 C ATOM 1129 C GLU A 76 2.715 1.606 6.577 1.00 0.00 C ATOM 1130 O GLU A 76 3.311 0.893 7.383 1.00 0.00 O ATOM 1131 CB GLU A 76 0.822 2.467 8.003 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.636 2.931 7.985 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.103 3.327 9.387 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.278 3.923 10.113 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.274 3.024 9.702 1.00 0.00 O ATOM 0 H GLU A 76 1.035 -0.281 6.888 1.00 0.00 H new ATOM 0 HA GLU A 76 0.882 2.456 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.975 1.768 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.476 3.320 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.743 3.779 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.270 2.133 7.598 1.00 0.00 H new ATOM 1142 N LEU A 77 3.295 2.255 5.578 1.00 0.00 N ATOM 1143 CA LEU A 77 4.728 2.166 5.359 1.00 0.00 C ATOM 1144 C LEU A 77 5.379 3.503 5.718 1.00 0.00 C ATOM 1145 O LEU A 77 4.700 4.430 6.156 1.00 0.00 O ATOM 1146 CB LEU A 77 5.024 1.701 3.931 1.00 0.00 C ATOM 1147 CG LEU A 77 4.490 0.319 3.552 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.164 -0.776 4.382 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.965 0.269 3.666 1.00 0.00 C ATOM 0 H LEU A 77 2.798 2.845 4.911 1.00 0.00 H new ATOM 0 HA LEU A 77 5.167 1.412 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.607 2.432 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.104 1.704 3.786 1.00 0.00 H new ATOM 0 HG LEU A 77 4.740 0.131 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.766 -1.749 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.239 -0.757 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.967 -0.604 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.612 -0.725 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.669 0.488 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.526 1.008 2.996 1.00 0.00 H new ATOM 1161 N VAL A 78 6.688 3.560 5.519 1.00 0.00 N ATOM 1162 CA VAL A 78 7.438 4.768 5.816 1.00 0.00 C ATOM 1163 C VAL A 78 7.638 5.569 4.528 1.00 0.00 C ATOM 1164 O VAL A 78 7.653 5.003 3.436 1.00 0.00 O ATOM 1165 CB VAL A 78 8.755 4.410 6.507 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.502 3.625 7.796 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.675 3.632 5.563 1.00 0.00 C ATOM 0 H VAL A 78 7.248 2.789 5.156 1.00 0.00 H new ATOM 0 HA VAL A 78 6.884 5.400 6.510 1.00 0.00 H new ATOM 0 HB VAL A 78 9.257 5.340 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.454 3.383 8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.903 4.228 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.969 2.704 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.604 3.390 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.182 2.711 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.895 4.240 4.686 1.00 0.00 H new ATOM 1177 N LEU A 79 7.786 6.875 4.697 1.00 0.00 N ATOM 1178 CA LEU A 79 7.984 7.760 3.562 1.00 0.00 C ATOM 1179 C LEU A 79 9.247 7.339 2.807 1.00 0.00 C ATOM 1180 O LEU A 79 10.264 7.023 3.421 1.00 0.00 O ATOM 1181 CB LEU A 79 7.997 9.220 4.017 1.00 0.00 C ATOM 1182 CG LEU A 79 8.944 9.555 5.171 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.391 9.215 4.810 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.788 11.015 5.602 1.00 0.00 C ATOM 0 H LEU A 79 7.773 7.342 5.604 1.00 0.00 H new ATOM 0 HA LEU A 79 7.152 7.676 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.262 9.843 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.985 9.497 4.312 1.00 0.00 H new ATOM 0 HG LEU A 79 8.672 8.936 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.043 9.463 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.471 8.150 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.692 9.789 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.472 11.227 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.017 11.669 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.763 11.190 5.929 1.00 0.00 H new ATOM 1196 N PRO A 80 9.137 7.350 1.452 1.00 0.00 N ATOM 1197 CA PRO A 80 10.257 6.973 0.607 1.00 0.00 C ATOM 1198 C PRO A 80 11.309 8.084 0.565 1.00 0.00 C ATOM 1199 O PRO A 80 11.001 9.222 0.216 1.00 0.00 O ATOM 1200 CB PRO A 80 9.644 6.683 -0.753 1.00 0.00 C ATOM 1201 CG PRO A 80 8.280 7.352 -0.747 1.00 0.00 C ATOM 1202 CD PRO A 80 7.947 7.718 0.690 1.00 0.00 C ATOM 0 HA PRO A 80 10.792 6.100 0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.269 7.077 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.552 5.610 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.289 8.242 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.524 6.681 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.728 8.781 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.068 7.178 1.043 1.00 0.00 H new ATOM 1210 N ILE A 81 12.529 7.713 0.925 1.00 0.00 N ATOM 1211 CA ILE A 81 13.628 8.664 0.932 1.00 0.00 C ATOM 1212 C ILE A 81 13.946 9.080 -0.505 1.00 0.00 C ATOM 1213 O ILE A 81 13.807 10.249 -0.862 1.00 0.00 O ATOM 1214 CB ILE A 81 14.829 8.088 1.686 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.453 7.729 3.125 1.00 0.00 C ATOM 1216 CG2 ILE A 81 16.022 9.044 1.627 1.00 0.00 C ATOM 1217 CD1 ILE A 81 14.030 6.262 3.231 1.00 0.00 C ATOM 0 H ILE A 81 12.781 6.768 1.214 1.00 0.00 H new ATOM 0 HA ILE A 81 13.346 9.569 1.471 1.00 0.00 H new ATOM 0 HB ILE A 81 15.131 7.164 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.301 7.915 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.640 8.371 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.862 8.611 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.307 9.207 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.748 9.996 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.768 6.033 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.167 6.085 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.854 5.622 2.915 1.00 0.00 H new ATOM 1229 N LYS A 82 14.368 8.101 -1.292 1.00 0.00 N ATOM 1230 CA LYS A 82 14.707 8.351 -2.682 1.00 0.00 C ATOM 1231 C LYS A 82 14.233 7.175 -3.538 1.00 0.00 C ATOM 1232 O LYS A 82 13.958 6.095 -3.017 1.00 0.00 O ATOM 1233 CB LYS A 82 16.200 8.652 -2.824 1.00 0.00 C ATOM 1234 CG LYS A 82 16.469 10.155 -2.720 1.00 0.00 C ATOM 1235 CD LYS A 82 17.717 10.545 -3.515 1.00 0.00 C ATOM 1236 CE LYS A 82 18.395 11.773 -2.903 1.00 0.00 C ATOM 1237 NZ LYS A 82 19.730 11.983 -3.507 1.00 0.00 N ATOM 0 H LYS A 82 14.483 7.133 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 82 14.190 9.239 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.756 8.125 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.560 8.280 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.608 10.709 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.598 10.433 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.417 9.710 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.443 10.754 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.775 12.655 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.493 11.642 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.176 12.820 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.325 11.148 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.628 12.129 -4.532 1.00 0.00 H new ATOM 1251 N GLU A 83 14.153 7.423 -4.837 1.00 0.00 N ATOM 1252 CA GLU A 83 13.718 6.398 -5.770 1.00 0.00 C ATOM 1253 C GLU A 83 12.252 6.039 -5.517 1.00 0.00 C ATOM 1254 O GLU A 83 11.805 6.008 -4.371 1.00 0.00 O ATOM 1255 CB GLU A 83 14.610 5.159 -5.678 1.00 0.00 C ATOM 1256 CG GLU A 83 15.721 5.204 -6.728 1.00 0.00 C ATOM 1257 CD GLU A 83 17.039 4.678 -6.155 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.085 3.465 -5.858 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.970 5.502 -6.028 1.00 0.00 O ATOM 0 H GLU A 83 14.382 8.320 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 83 13.806 6.793 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.048 5.095 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.008 4.262 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.433 4.607 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.855 6.228 -7.077 1.00 0.00 H new ATOM 1266 N ASP A 84 11.544 5.777 -6.606 1.00 0.00 N ATOM 1267 CA ASP A 84 10.138 5.421 -6.517 1.00 0.00 C ATOM 1268 C ASP A 84 9.974 4.249 -5.548 1.00 0.00 C ATOM 1269 O ASP A 84 10.955 3.614 -5.163 1.00 0.00 O ATOM 1270 CB ASP A 84 9.592 4.988 -7.879 1.00 0.00 C ATOM 1271 CG ASP A 84 9.162 6.134 -8.797 1.00 0.00 C ATOM 1272 OD1 ASP A 84 10.069 6.856 -9.266 1.00 0.00 O ATOM 1273 OD2 ASP A 84 7.937 6.263 -9.010 1.00 0.00 O ATOM 0 H ASP A 84 11.918 5.804 -7.555 1.00 0.00 H new ATOM 0 HA ASP A 84 9.590 6.297 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.355 4.400 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.737 4.331 -7.719 1.00 0.00 H new ATOM 1278 N TYR A 85 8.726 3.996 -5.181 1.00 0.00 N ATOM 1279 CA TYR A 85 8.420 2.911 -4.264 1.00 0.00 C ATOM 1280 C TYR A 85 7.420 1.934 -4.885 1.00 0.00 C ATOM 1281 O TYR A 85 6.313 2.324 -5.254 1.00 0.00 O ATOM 1282 CB TYR A 85 7.782 3.564 -3.036 1.00 0.00 C ATOM 1283 CG TYR A 85 7.995 2.785 -1.736 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.230 2.238 -1.454 1.00 0.00 C ATOM 1285 CD2 TYR A 85 6.952 2.631 -0.846 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.430 1.505 -0.231 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.152 1.898 0.377 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.381 1.371 0.625 1.00 0.00 C ATOM 1289 OH TYR A 85 8.570 0.679 1.780 1.00 0.00 O ATOM 0 H TYR A 85 7.915 4.524 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 85 9.322 2.350 -4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.190 4.568 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.712 3.674 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.046 2.360 -2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.986 3.060 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.391 1.071 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.344 1.770 1.082 1.00 0.00 H new ATOM 0 HH TYR A 85 7.735 0.665 2.293 1.00 0.00 H new ATOM 1299 N ILE A 86 7.845 0.683 -4.980 1.00 0.00 N ATOM 1300 CA ILE A 86 7.001 -0.353 -5.550 1.00 0.00 C ATOM 1301 C ILE A 86 6.376 -1.174 -4.420 1.00 0.00 C ATOM 1302 O ILE A 86 7.077 -1.892 -3.709 1.00 0.00 O ATOM 1303 CB ILE A 86 7.789 -1.193 -6.557 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.929 -0.381 -7.175 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.862 -1.784 -7.622 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.408 0.925 -7.777 1.00 0.00 C ATOM 0 H ILE A 86 8.763 0.363 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 86 6.181 0.091 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 86 8.242 -2.029 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.678 -0.162 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.423 -0.970 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.447 -2.377 -8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.117 -2.420 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.361 -0.977 -8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.238 1.483 -8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.677 0.701 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.937 1.523 -6.997 1.00 0.00 H new ATOM 1318 N ILE A 87 5.064 -1.041 -4.291 1.00 0.00 N ATOM 1319 CA ILE A 87 4.337 -1.761 -3.260 1.00 0.00 C ATOM 1320 C ILE A 87 3.496 -2.862 -3.909 1.00 0.00 C ATOM 1321 O ILE A 87 2.919 -2.659 -4.977 1.00 0.00 O ATOM 1322 CB ILE A 87 3.522 -0.791 -2.401 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.266 0.533 -2.214 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.143 -1.429 -1.063 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.839 1.223 -0.918 1.00 0.00 C ATOM 0 H ILE A 87 4.486 -0.445 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 87 5.031 -2.250 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 87 2.593 -0.568 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.341 0.351 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.068 1.189 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.565 -0.719 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.546 -2.323 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.048 -1.700 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.383 2.161 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.768 1.425 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.061 0.575 -0.070 1.00 0.00 H new ATOM 1337 N GLU A 88 3.453 -4.004 -3.238 1.00 0.00 N ATOM 1338 CA GLU A 88 2.692 -5.137 -3.737 1.00 0.00 C ATOM 1339 C GLU A 88 1.887 -5.775 -2.604 1.00 0.00 C ATOM 1340 O GLU A 88 2.453 -6.203 -1.599 1.00 0.00 O ATOM 1341 CB GLU A 88 3.611 -6.164 -4.402 1.00 0.00 C ATOM 1342 CG GLU A 88 3.665 -5.951 -5.917 1.00 0.00 C ATOM 1343 CD GLU A 88 3.479 -7.274 -6.663 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.001 -8.290 -6.155 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.820 -7.239 -7.724 1.00 0.00 O ATOM 0 H GLU A 88 3.933 -4.169 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 88 1.995 -4.777 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.614 -6.084 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.254 -7.171 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.888 -5.248 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.621 -5.506 -6.192 1.00 0.00 H new ATOM 1352 N VAL A 89 0.578 -5.819 -2.803 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.312 -6.398 -1.811 1.00 0.00 C ATOM 1354 C VAL A 89 -0.500 -7.887 -2.108 1.00 0.00 C ATOM 1355 O VAL A 89 -0.689 -8.275 -3.260 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.631 -5.624 -1.776 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.578 -6.203 -0.723 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.386 -4.134 -1.533 1.00 0.00 C ATOM 0 H VAL A 89 0.112 -5.463 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 89 0.123 -6.318 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.108 -5.730 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.508 -5.635 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.791 -7.246 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.111 -6.142 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.340 -3.607 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.877 -4.000 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.766 -3.732 -2.334 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.441 -8.681 -1.049 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.603 -10.119 -1.181 1.00 0.00 C ATOM 1370 C LYS A 90 -1.566 -10.621 -0.104 1.00 0.00 C ATOM 1371 O LYS A 90 -1.602 -10.083 1.002 1.00 0.00 O ATOM 1372 CB LYS A 90 0.759 -10.815 -1.161 1.00 0.00 C ATOM 1373 CG LYS A 90 1.225 -11.150 -2.580 1.00 0.00 C ATOM 1374 CD LYS A 90 1.887 -12.528 -2.629 1.00 0.00 C ATOM 1375 CE LYS A 90 3.145 -12.502 -3.500 1.00 0.00 C ATOM 1376 NZ LYS A 90 2.868 -13.093 -4.828 1.00 0.00 N ATOM 0 H LYS A 90 -0.283 -8.356 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.047 -10.365 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.493 -10.172 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.696 -11.729 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.374 -11.127 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.929 -10.392 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.146 -12.847 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.182 -13.260 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.492 -11.475 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.946 -13.055 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.527 -12.697 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.991 -14.125 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.891 -12.874 -5.109 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.323 -11.647 -0.463 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.284 -12.228 0.459 1.00 0.00 C ATOM 1392 C ALA A 91 -2.717 -13.532 1.025 1.00 0.00 C ATOM 1393 O ALA A 91 -2.171 -14.349 0.284 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.619 -12.436 -0.258 1.00 0.00 C ATOM 0 H ALA A 91 -2.290 -12.091 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.466 -11.556 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.340 -12.872 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.993 -11.477 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.477 -13.108 -1.104 1.00 0.00 H new ATOM 1400 N THR A 92 -2.867 -13.687 2.332 1.00 0.00 N ATOM 1401 CA THR A 92 -2.377 -14.877 3.005 1.00 0.00 C ATOM 1402 C THR A 92 -3.538 -15.813 3.346 1.00 0.00 C ATOM 1403 O THR A 92 -4.644 -15.357 3.633 1.00 0.00 O ATOM 1404 CB THR A 92 -1.576 -14.432 4.230 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.563 -13.930 5.127 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.686 -13.221 3.940 1.00 0.00 C ATOM 0 H THR A 92 -3.321 -13.008 2.943 1.00 0.00 H new ATOM 0 HA THR A 92 -1.715 -15.453 2.358 1.00 0.00 H new ATOM 0 HB THR A 92 -0.960 -15.260 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.130 -13.621 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.140 -12.947 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.022 -13.470 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.305 -12.382 3.622 1.00 0.00 H new ATOM 1414 N THR A 93 -3.247 -17.105 3.304 1.00 0.00 N ATOM 1415 CA THR A 93 -4.253 -18.109 3.605 1.00 0.00 C ATOM 1416 C THR A 93 -3.654 -19.224 4.464 1.00 0.00 C ATOM 1417 O THR A 93 -2.507 -19.129 4.899 1.00 0.00 O ATOM 1418 CB THR A 93 -4.833 -18.609 2.280 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.695 -18.761 1.437 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.679 -17.547 1.574 1.00 0.00 C ATOM 0 H THR A 93 -2.329 -17.480 3.066 1.00 0.00 H new ATOM 0 HA THR A 93 -5.067 -17.688 4.195 1.00 0.00 H new ATOM 0 HB THR A 93 -5.440 -19.496 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.501 -19.714 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.067 -17.953 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.511 -17.258 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.063 -16.673 1.362 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.456 -20.255 4.683 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.020 -21.387 5.482 1.00 0.00 C ATOM 1430 C ASP A 94 -2.960 -22.174 4.708 1.00 0.00 C ATOM 1431 O ASP A 94 -2.263 -23.012 5.280 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.185 -22.332 5.783 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.346 -22.712 7.256 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.429 -23.387 7.772 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.383 -22.320 7.833 1.00 0.00 O ATOM 0 H ASP A 94 -5.406 -20.330 4.321 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.618 -21.002 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.109 -21.866 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.053 -23.244 5.201 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.873 -21.878 3.420 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.910 -22.547 2.562 1.00 0.00 C ATOM 1442 C GLY A 95 -0.623 -21.729 2.439 1.00 0.00 C ATOM 1443 O GLY A 95 0.468 -22.291 2.349 1.00 0.00 O ATOM 0 H GLY A 95 -3.454 -21.184 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.681 -23.533 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.343 -22.700 1.574 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.793 -20.415 2.439 1.00 0.00 N ATOM 1448 CA GLY A 96 0.342 -19.514 2.329 1.00 0.00 C ATOM 1449 C GLY A 96 -0.064 -18.201 1.657 1.00 0.00 C ATOM 1450 O GLY A 96 -1.175 -17.714 1.860 1.00 0.00 O ATOM 0 H GLY A 96 -1.699 -19.953 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.746 -19.310 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.135 -19.991 1.754 1.00 0.00 H new ATOM 1454 N ASP A 97 0.858 -17.665 0.872 1.00 0.00 N ATOM 1455 CA ASP A 97 0.610 -16.418 0.169 1.00 0.00 C ATOM 1456 C ASP A 97 -0.315 -16.683 -1.020 1.00 0.00 C ATOM 1457 O ASP A 97 -0.631 -17.833 -1.322 1.00 0.00 O ATOM 1458 CB ASP A 97 1.912 -15.820 -0.369 1.00 0.00 C ATOM 1459 CG ASP A 97 3.169 -16.198 0.416 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.277 -15.737 1.573 1.00 0.00 O ATOM 1461 OD2 ASP A 97 3.995 -16.940 -0.159 1.00 0.00 O ATOM 0 H ASP A 97 1.779 -18.072 0.707 1.00 0.00 H new ATOM 0 HA ASP A 97 0.156 -15.720 0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.039 -16.137 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.820 -14.734 -0.377 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.724 -15.599 -1.664 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.607 -15.700 -2.814 1.00 0.00 C ATOM 1468 C GLY A 98 -1.044 -14.924 -4.007 1.00 0.00 C ATOM 1469 O GLY A 98 0.113 -15.108 -4.382 1.00 0.00 O ATOM 0 H GLY A 98 -0.460 -14.647 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.738 -16.747 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.592 -15.312 -2.556 1.00 0.00 H new ATOM 1473 N THR A 99 -1.889 -14.073 -4.570 1.00 0.00 N ATOM 1474 CA THR A 99 -1.491 -13.269 -5.713 1.00 0.00 C ATOM 1475 C THR A 99 -1.078 -11.867 -5.260 1.00 0.00 C ATOM 1476 O THR A 99 -1.568 -11.368 -4.247 1.00 0.00 O ATOM 1477 CB THR A 99 -2.647 -13.268 -6.716 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.128 -14.609 -6.692 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.171 -13.068 -8.156 1.00 0.00 C ATOM 0 H THR A 99 -2.848 -13.923 -4.256 1.00 0.00 H new ATOM 0 HA THR A 99 -0.614 -13.689 -6.206 1.00 0.00 H new ATOM 0 HB THR A 99 -3.354 -12.481 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.881 -14.698 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.030 -13.075 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.654 -12.112 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.490 -13.874 -8.429 1.00 0.00 H new ATOM 1487 N SER A 100 -0.182 -11.271 -6.032 1.00 0.00 N ATOM 1488 CA SER A 100 0.303 -9.936 -5.723 1.00 0.00 C ATOM 1489 C SER A 100 -0.381 -8.909 -6.628 1.00 0.00 C ATOM 1490 O SER A 100 -0.160 -8.898 -7.838 1.00 0.00 O ATOM 1491 CB SER A 100 1.823 -9.852 -5.878 1.00 0.00 C ATOM 1492 OG SER A 100 2.205 -9.498 -7.205 1.00 0.00 O ATOM 0 H SER A 100 0.221 -11.688 -6.871 1.00 0.00 H new ATOM 0 HA SER A 100 0.059 -9.715 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.219 -9.116 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.268 -10.812 -5.616 1.00 0.00 H new ATOM 0 HG SER A 100 1.907 -8.585 -7.399 1.00 0.00 H new ATOM 1498 N SER A 101 -1.197 -8.071 -6.006 1.00 0.00 N ATOM 1499 CA SER A 101 -1.914 -7.042 -6.740 1.00 0.00 C ATOM 1500 C SER A 101 -0.947 -6.271 -7.640 1.00 0.00 C ATOM 1501 O SER A 101 0.256 -6.526 -7.626 1.00 0.00 O ATOM 1502 CB SER A 101 -2.631 -6.084 -5.786 1.00 0.00 C ATOM 1503 OG SER A 101 -1.714 -5.278 -5.050 1.00 0.00 O ATOM 0 H SER A 101 -1.378 -8.083 -5.002 1.00 0.00 H new ATOM 0 HA SER A 101 -2.668 -7.526 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.303 -5.441 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.248 -6.656 -5.093 1.00 0.00 H new ATOM 0 HG SER A 101 -1.654 -4.391 -5.463 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.509 -5.343 -8.400 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.711 -4.532 -9.305 1.00 0.00 C ATOM 1511 C GLU A 102 0.259 -3.653 -8.514 1.00 0.00 C ATOM 1512 O GLU A 102 -0.160 -2.868 -7.664 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.604 -3.685 -10.213 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.847 -4.385 -11.552 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.080 -5.289 -11.481 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -4.193 -4.726 -11.414 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -2.880 -6.523 -11.495 1.00 0.00 O ATOM 0 H GLU A 102 -2.507 -5.134 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.129 -5.198 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.557 -3.497 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.138 -2.715 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.982 -3.641 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.972 -4.977 -11.821 1.00 0.00 H new ATOM 1524 N GLN A 103 1.538 -3.812 -8.822 1.00 0.00 N ATOM 1525 CA GLN A 103 2.571 -3.042 -8.150 1.00 0.00 C ATOM 1526 C GLN A 103 2.200 -1.558 -8.133 1.00 0.00 C ATOM 1527 O GLN A 103 1.742 -1.018 -9.139 1.00 0.00 O ATOM 1528 CB GLN A 103 3.934 -3.260 -8.811 1.00 0.00 C ATOM 1529 CG GLN A 103 4.197 -2.202 -9.885 1.00 0.00 C ATOM 1530 CD GLN A 103 5.529 -2.460 -10.593 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.018 -3.575 -10.664 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.086 -1.369 -11.112 1.00 0.00 N ATOM 0 H GLN A 103 1.882 -4.463 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 103 2.644 -3.389 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.719 -3.220 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.971 -4.254 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.386 -2.209 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.209 -1.212 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.623 -0.465 -11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.976 -1.436 -11.605 1.00 0.00 H new ATOM 1541 N ILE A 104 2.413 -0.941 -6.980 1.00 0.00 N ATOM 1542 CA ILE A 104 2.107 0.470 -6.819 1.00 0.00 C ATOM 1543 C ILE A 104 3.332 1.301 -7.207 1.00 0.00 C ATOM 1544 O ILE A 104 4.451 0.791 -7.224 1.00 0.00 O ATOM 1545 CB ILE A 104 1.596 0.750 -5.404 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.729 -0.404 -4.896 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.861 2.090 -5.342 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.354 0.103 -3.942 1.00 0.00 C ATOM 0 H ILE A 104 2.794 -1.393 -6.148 1.00 0.00 H new ATOM 0 HA ILE A 104 1.298 0.763 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 104 2.456 0.824 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.265 -0.914 -5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.355 -1.136 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.508 2.265 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.540 2.891 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.010 2.070 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.956 -0.737 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.114 0.591 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.992 0.817 -4.463 1.00 0.00 H new ATOM 1560 N ARG A 105 3.079 2.566 -7.507 1.00 0.00 N ATOM 1561 CA ARG A 105 4.147 3.472 -7.893 1.00 0.00 C ATOM 1562 C ARG A 105 4.054 4.774 -7.094 1.00 0.00 C ATOM 1563 O ARG A 105 3.287 5.669 -7.446 1.00 0.00 O ATOM 1564 CB ARG A 105 4.084 3.794 -9.387 1.00 0.00 C ATOM 1565 CG ARG A 105 5.481 4.064 -9.949 1.00 0.00 C ATOM 1566 CD ARG A 105 5.557 3.691 -11.432 1.00 0.00 C ATOM 1567 NE ARG A 105 6.970 3.528 -11.840 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.404 3.635 -13.104 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.537 3.905 -14.089 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.704 3.471 -13.382 1.00 0.00 N ATOM 0 H ARG A 105 2.149 2.985 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 105 5.094 2.977 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.627 2.962 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.449 4.665 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.731 5.117 -9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.220 3.491 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.009 2.766 -11.612 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.082 4.465 -12.035 1.00 0.00 H new ATOM 0 HE ARG A 105 7.657 3.321 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.547 4.029 -13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.867 3.986 -15.051 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.364 3.265 -12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.034 3.552 -14.344 1.00 0.00 H new ATOM 1584 N ILE A 106 4.845 4.838 -6.033 1.00 0.00 N ATOM 1585 CA ILE A 106 4.862 6.015 -5.182 1.00 0.00 C ATOM 1586 C ILE A 106 6.205 6.731 -5.335 1.00 0.00 C ATOM 1587 O ILE A 106 7.197 6.335 -4.726 1.00 0.00 O ATOM 1588 CB ILE A 106 4.528 5.635 -3.737 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.417 4.585 -3.688 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.181 6.875 -2.911 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.238 4.042 -2.269 1.00 0.00 C ATOM 0 H ILE A 106 5.479 4.093 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 106 4.089 6.719 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 106 5.414 5.186 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.481 5.024 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.655 3.766 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.948 6.578 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.031 7.558 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.317 7.374 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.442 3.297 -2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.168 3.582 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.976 4.859 -1.597 1.00 0.00 H new ATOM 1603 N PRO A 107 6.192 7.802 -6.173 1.00 0.00 N ATOM 1604 CA PRO A 107 7.397 8.578 -6.414 1.00 0.00 C ATOM 1605 C PRO A 107 7.720 9.475 -5.218 1.00 0.00 C ATOM 1606 O PRO A 107 6.889 9.653 -4.328 1.00 0.00 O ATOM 1607 CB PRO A 107 7.112 9.363 -7.685 1.00 0.00 C ATOM 1608 CG PRO A 107 5.601 9.355 -7.849 1.00 0.00 C ATOM 1609 CD PRO A 107 5.035 8.301 -6.911 1.00 0.00 C ATOM 0 HA PRO A 107 8.282 7.953 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.491 10.382 -7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.601 8.905 -8.545 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.187 10.336 -7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.330 9.132 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.291 8.728 -6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.543 7.501 -7.465 1.00 0.00 H new ATOM 1617 N ARG A 108 8.929 10.016 -5.234 1.00 0.00 N ATOM 1618 CA ARG A 108 9.373 10.890 -4.161 1.00 0.00 C ATOM 1619 C ARG A 108 8.248 11.844 -3.755 1.00 0.00 C ATOM 1620 O ARG A 108 7.510 12.338 -4.606 1.00 0.00 O ATOM 1621 CB ARG A 108 10.596 11.705 -4.585 1.00 0.00 C ATOM 1622 CG ARG A 108 11.890 10.933 -4.317 1.00 0.00 C ATOM 1623 CD ARG A 108 12.722 10.799 -5.594 1.00 0.00 C ATOM 1624 NE ARG A 108 13.076 12.139 -6.111 1.00 0.00 N ATOM 1625 CZ ARG A 108 13.486 12.376 -7.365 1.00 0.00 C ATOM 1626 NH1 ARG A 108 13.597 11.365 -8.236 1.00 0.00 N ATOM 1627 NH2 ARG A 108 13.786 13.625 -7.746 1.00 0.00 N ATOM 0 H ARG A 108 9.616 9.866 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 108 9.646 10.262 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.526 11.947 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.613 12.650 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.472 11.446 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.653 9.943 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.628 10.228 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.160 10.246 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 108 13.004 12.932 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.370 10.414 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.909 11.546 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.702 14.395 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.098 13.806 -8.700 1.00 0.00 H new