USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 66 CYS SG : rot 180:sc= -0.192 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 73:sc= 1.19 USER MOD Set 2.2: A 40 GLN : amide:sc= -3.14! K(o=-1.6!,f=-2.3) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.372 K(o=-1.6,f=-7.7!) USER MOD Set 3.1: A 13 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 46:sc= 0.0411 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.35) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -67:sc= 1.34 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.722) USER MOD Single : A 33 ASN : amide:sc= -0.851 K(o=-0.85,f=-1.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0.037) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0.72 (180deg=0.648) USER MOD Single : A 54 THR OG1 : rot -24:sc= 0.178 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 63 ASN : amide:sc= 0.161 X(o=0.16,f=-0.052) USER MOD Single : A 65 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.394 F(o=-1.2,f=-0.39) USER MOD Single : A 73 TYR OH : rot 168:sc= 1.06 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.080 -2.472 -21.419 1.00 0.00 N ATOM 195 CA MET A 13 9.643 -2.046 -22.772 1.00 0.00 C ATOM 196 C MET A 13 10.750 -2.264 -23.824 1.00 0.00 C ATOM 197 O MET A 13 11.940 -2.151 -23.515 1.00 0.00 O ATOM 198 CB MET A 13 9.164 -0.549 -22.767 1.00 0.00 C ATOM 199 CG MET A 13 10.249 0.507 -23.085 1.00 0.00 C ATOM 200 SD MET A 13 11.689 0.404 -21.990 1.00 0.00 S ATOM 201 CE MET A 13 12.998 1.048 -23.038 1.00 0.00 C ATOM 0 HA MET A 13 8.796 -2.673 -23.051 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.357 -0.443 -23.492 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.743 -0.325 -21.787 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.576 0.383 -24.117 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.812 1.502 -23.007 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.929 1.091 -22.473 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.128 0.395 -23.901 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.733 2.049 -23.377 1.00 0.00 H new ATOM 211 N GLY A 14 10.336 -2.554 -25.063 1.00 0.00 N ATOM 212 CA GLY A 14 11.273 -2.869 -26.139 1.00 0.00 C ATOM 213 C GLY A 14 11.876 -4.262 -25.999 1.00 0.00 C ATOM 214 O GLY A 14 13.050 -4.486 -26.320 1.00 0.00 O ATOM 0 H GLY A 14 9.355 -2.576 -25.342 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.759 -2.794 -27.097 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.074 -2.129 -26.147 1.00 0.00 H new ATOM 218 N CYS A 15 11.068 -5.198 -25.504 1.00 0.00 N ATOM 219 CA CYS A 15 11.463 -6.601 -25.342 1.00 0.00 C ATOM 220 C CYS A 15 10.999 -7.403 -26.572 1.00 0.00 C ATOM 221 O CYS A 15 9.866 -7.906 -26.619 1.00 0.00 O ATOM 222 CB CYS A 15 10.856 -7.135 -24.030 1.00 0.00 C ATOM 223 SG CYS A 15 9.086 -6.810 -23.853 1.00 0.00 S ATOM 0 H CYS A 15 10.113 -5.005 -25.201 1.00 0.00 H new ATOM 0 HA CYS A 15 12.546 -6.701 -25.277 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.025 -8.210 -23.975 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.383 -6.686 -23.188 1.00 0.00 H new ATOM 0 HG CYS A 15 8.477 -7.110 -24.961 1.00 0.00 H new ATOM 229 N TRP A 16 11.867 -7.467 -27.599 1.00 0.00 N ATOM 230 CA TRP A 16 11.540 -8.086 -28.903 1.00 0.00 C ATOM 231 C TRP A 16 12.059 -9.540 -28.953 1.00 0.00 C ATOM 232 O TRP A 16 12.708 -10.022 -28.013 1.00 0.00 O ATOM 233 CB TRP A 16 12.165 -7.257 -30.072 1.00 0.00 C ATOM 234 CG TRP A 16 12.068 -5.752 -29.896 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.967 -4.956 -30.069 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.131 -4.873 -29.501 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.282 -3.651 -29.799 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.603 -3.575 -29.449 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.477 -5.064 -29.180 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.374 -2.468 -29.092 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.240 -3.968 -28.827 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.686 -2.685 -28.784 1.00 0.00 C ATOM 0 H TRP A 16 12.814 -7.092 -27.551 1.00 0.00 H new ATOM 0 HA TRP A 16 10.456 -8.094 -29.017 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.215 -7.532 -30.175 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.670 -7.534 -31.003 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.992 -5.307 -30.374 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.636 -2.863 -29.850 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.914 -6.051 -29.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.948 -1.476 -29.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.282 -4.104 -28.580 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.309 -1.849 -28.501 1.00 0.00 H new ATOM 253 N SER A 17 11.751 -10.230 -30.059 1.00 0.00 N ATOM 254 CA SER A 17 12.316 -11.554 -30.378 1.00 0.00 C ATOM 255 C SER A 17 13.667 -11.367 -31.101 1.00 0.00 C ATOM 256 O SER A 17 13.904 -10.305 -31.689 1.00 0.00 O ATOM 257 CB SER A 17 11.313 -12.333 -31.261 1.00 0.00 C ATOM 258 OG SER A 17 10.038 -12.386 -30.644 1.00 0.00 O ATOM 0 H SER A 17 11.099 -9.886 -30.764 1.00 0.00 H new ATOM 0 HA SER A 17 12.489 -12.125 -29.466 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.231 -11.853 -32.236 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.682 -13.344 -31.433 1.00 0.00 H new ATOM 0 HG SER A 17 9.417 -12.881 -31.218 1.00 0.00 H new ATOM 264 N ILE A 18 14.536 -12.395 -31.060 1.00 0.00 N ATOM 265 CA ILE A 18 15.882 -12.342 -31.682 1.00 0.00 C ATOM 266 C ILE A 18 15.768 -12.124 -33.202 1.00 0.00 C ATOM 267 O ILE A 18 16.402 -11.221 -33.763 1.00 0.00 O ATOM 268 CB ILE A 18 16.709 -13.659 -31.386 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.922 -13.854 -29.845 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.056 -13.687 -32.169 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.617 -12.703 -29.139 1.00 0.00 C ATOM 0 H ILE A 18 14.331 -13.282 -30.599 1.00 0.00 H new ATOM 0 HA ILE A 18 16.414 -11.500 -31.240 1.00 0.00 H new ATOM 0 HB ILE A 18 16.123 -14.505 -31.746 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.950 -14.013 -29.377 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.504 -14.762 -29.687 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.592 -14.607 -31.938 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.856 -13.643 -33.240 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.664 -12.830 -31.878 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.717 -12.934 -28.078 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.606 -12.554 -29.573 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.028 -11.794 -29.258 1.00 0.00 H new ATOM 283 N GLU A 19 14.916 -12.942 -33.841 1.00 0.00 N ATOM 284 CA GLU A 19 14.702 -12.891 -35.291 1.00 0.00 C ATOM 285 C GLU A 19 13.904 -11.648 -35.710 1.00 0.00 C ATOM 286 O GLU A 19 14.043 -11.183 -36.840 1.00 0.00 O ATOM 287 CB GLU A 19 14.069 -14.207 -35.797 1.00 0.00 C ATOM 288 CG GLU A 19 15.010 -15.415 -35.633 1.00 0.00 C ATOM 289 CD GLU A 19 14.404 -16.746 -36.097 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.606 -17.335 -35.336 1.00 0.00 O ATOM 291 OE2 GLU A 19 14.739 -17.219 -37.206 1.00 0.00 O ATOM 0 H GLU A 19 14.360 -13.653 -33.367 1.00 0.00 H new ATOM 0 HA GLU A 19 15.675 -12.796 -35.773 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.144 -14.395 -35.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.803 -14.098 -36.848 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.925 -15.229 -36.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.293 -15.502 -34.584 1.00 0.00 H new ATOM 298 N HIS A 20 13.106 -11.078 -34.786 1.00 0.00 N ATOM 299 CA HIS A 20 12.451 -9.771 -35.016 1.00 0.00 C ATOM 300 C HIS A 20 13.533 -8.691 -35.175 1.00 0.00 C ATOM 301 O HIS A 20 13.539 -7.951 -36.151 1.00 0.00 O ATOM 302 CB HIS A 20 11.503 -9.394 -33.847 1.00 0.00 C ATOM 303 CG HIS A 20 10.749 -8.094 -34.045 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.481 -8.036 -34.585 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.101 -6.803 -33.793 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.091 -6.778 -34.659 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.053 -6.011 -34.184 1.00 0.00 N ATOM 0 H HIS A 20 12.899 -11.497 -33.879 1.00 0.00 H new ATOM 0 HA HIS A 20 11.849 -9.841 -35.922 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.782 -10.200 -33.706 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.087 -9.325 -32.930 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.033 -6.466 -33.364 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.143 -6.434 -35.044 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.022 -4.994 -34.118 1.00 0.00 H new ATOM 316 N VAL A 21 14.453 -8.654 -34.200 1.00 0.00 N ATOM 317 CA VAL A 21 15.556 -7.687 -34.154 1.00 0.00 C ATOM 318 C VAL A 21 16.387 -7.747 -35.450 1.00 0.00 C ATOM 319 O VAL A 21 16.435 -6.768 -36.184 1.00 0.00 O ATOM 320 CB VAL A 21 16.455 -7.934 -32.882 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.794 -7.159 -32.936 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.675 -7.573 -31.598 1.00 0.00 C ATOM 0 H VAL A 21 14.451 -9.303 -33.413 1.00 0.00 H new ATOM 0 HA VAL A 21 15.136 -6.684 -34.077 1.00 0.00 H new ATOM 0 HB VAL A 21 16.705 -8.995 -32.870 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.371 -7.367 -32.035 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.362 -7.474 -33.812 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.593 -6.090 -32.999 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.307 -7.748 -30.727 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.386 -6.523 -31.631 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.781 -8.193 -31.529 1.00 0.00 H new ATOM 332 N GLU A 22 16.942 -8.930 -35.761 1.00 0.00 N ATOM 333 CA GLU A 22 17.882 -9.104 -36.885 1.00 0.00 C ATOM 334 C GLU A 22 17.218 -8.830 -38.253 1.00 0.00 C ATOM 335 O GLU A 22 17.795 -8.123 -39.087 1.00 0.00 O ATOM 336 CB GLU A 22 18.519 -10.521 -36.849 1.00 0.00 C ATOM 337 CG GLU A 22 17.553 -11.693 -37.069 1.00 0.00 C ATOM 338 CD GLU A 22 18.207 -13.074 -36.914 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.531 -13.460 -35.767 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.405 -13.778 -37.931 1.00 0.00 O ATOM 0 H GLU A 22 16.754 -9.789 -35.245 1.00 0.00 H new ATOM 0 HA GLU A 22 18.672 -8.363 -36.764 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.297 -10.568 -37.611 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.009 -10.654 -35.884 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.729 -11.610 -36.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.124 -11.615 -38.068 1.00 0.00 H new ATOM 347 N GLN A 23 15.990 -9.355 -38.452 1.00 0.00 N ATOM 348 CA GLN A 23 15.283 -9.276 -39.749 1.00 0.00 C ATOM 349 C GLN A 23 14.666 -7.888 -39.987 1.00 0.00 C ATOM 350 O GLN A 23 14.397 -7.527 -41.135 1.00 0.00 O ATOM 351 CB GLN A 23 14.203 -10.390 -39.862 1.00 0.00 C ATOM 352 CG GLN A 23 14.763 -11.840 -39.816 1.00 0.00 C ATOM 353 CD GLN A 23 15.887 -12.131 -40.830 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.923 -11.571 -41.930 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.812 -13.014 -40.469 1.00 0.00 N ATOM 0 H GLN A 23 15.465 -9.841 -37.726 1.00 0.00 H new ATOM 0 HA GLN A 23 16.026 -9.436 -40.530 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.485 -10.266 -39.051 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.656 -10.255 -40.795 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.138 -12.038 -38.812 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.944 -12.537 -39.993 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.759 -13.463 -39.554 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.575 -13.243 -41.106 1.00 0.00 H new ATOM 364 N TYR A 24 14.413 -7.129 -38.902 1.00 0.00 N ATOM 365 CA TYR A 24 13.849 -5.762 -38.984 1.00 0.00 C ATOM 366 C TYR A 24 14.938 -4.686 -38.774 1.00 0.00 C ATOM 367 O TYR A 24 14.646 -3.504 -38.949 1.00 0.00 O ATOM 368 CB TYR A 24 12.698 -5.571 -37.946 1.00 0.00 C ATOM 369 CG TYR A 24 11.404 -6.387 -38.183 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.424 -7.762 -38.427 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.151 -5.770 -38.141 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.259 -8.477 -38.626 1.00 0.00 C ATOM 373 CE2 TYR A 24 8.985 -6.479 -38.337 1.00 0.00 C ATOM 374 CZ TYR A 24 9.042 -7.832 -38.579 1.00 0.00 C ATOM 375 OH TYR A 24 7.876 -8.544 -38.776 1.00 0.00 O ATOM 0 H TYR A 24 14.592 -7.442 -37.948 1.00 0.00 H new ATOM 0 HA TYR A 24 13.441 -5.640 -39.987 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.084 -5.825 -36.959 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.434 -4.514 -37.922 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.372 -8.278 -38.461 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.094 -4.709 -37.950 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.302 -9.539 -38.818 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.031 -5.974 -38.301 1.00 0.00 H new ATOM 0 HH TYR A 24 7.108 -7.939 -38.709 1.00 0.00 H new ATOM 385 N LEU A 25 16.181 -5.081 -38.393 1.00 0.00 N ATOM 386 CA LEU A 25 17.293 -4.115 -38.162 1.00 0.00 C ATOM 387 C LEU A 25 17.595 -3.298 -39.431 1.00 0.00 C ATOM 388 O LEU A 25 18.064 -3.841 -40.432 1.00 0.00 O ATOM 389 CB LEU A 25 18.589 -4.818 -37.625 1.00 0.00 C ATOM 390 CG LEU A 25 18.835 -4.710 -36.082 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.127 -5.428 -35.669 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.850 -3.240 -35.617 1.00 0.00 C ATOM 0 H LEU A 25 16.440 -6.056 -38.239 1.00 0.00 H new ATOM 0 HA LEU A 25 16.957 -3.427 -37.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.545 -5.873 -37.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.450 -4.394 -38.141 1.00 0.00 H new ATOM 0 HG LEU A 25 18.003 -5.209 -35.585 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.267 -5.334 -34.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.058 -6.483 -35.935 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.974 -4.978 -36.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.023 -3.200 -34.542 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.646 -2.703 -36.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.891 -2.776 -35.848 1.00 0.00 H new ATOM 404 N GLY A 26 17.321 -1.986 -39.352 1.00 0.00 N ATOM 405 CA GLY A 26 17.505 -1.064 -40.473 1.00 0.00 C ATOM 406 C GLY A 26 16.193 -0.456 -40.966 1.00 0.00 C ATOM 407 O GLY A 26 16.212 0.369 -41.888 1.00 0.00 O ATOM 0 H GLY A 26 16.966 -1.539 -38.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.180 -0.263 -40.171 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.986 -1.592 -41.296 1.00 0.00 H new ATOM 411 N THR A 27 15.052 -0.857 -40.364 1.00 0.00 N ATOM 412 CA THR A 27 13.709 -0.341 -40.741 1.00 0.00 C ATOM 413 C THR A 27 13.226 0.710 -39.719 1.00 0.00 C ATOM 414 O THR A 27 13.980 1.129 -38.837 1.00 0.00 O ATOM 415 CB THR A 27 12.651 -1.500 -40.846 1.00 0.00 C ATOM 416 OG1 THR A 27 12.378 -2.062 -39.546 1.00 0.00 O ATOM 417 CG2 THR A 27 13.107 -2.620 -41.801 1.00 0.00 C ATOM 0 H THR A 27 15.031 -1.542 -39.608 1.00 0.00 H new ATOM 0 HA THR A 27 13.804 0.125 -41.722 1.00 0.00 H new ATOM 0 HB THR A 27 11.742 -1.057 -41.252 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.178 -2.519 -39.213 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.344 -3.397 -41.841 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.258 -2.208 -42.799 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.042 -3.048 -41.440 1.00 0.00 H new ATOM 425 N ASP A 28 11.967 1.153 -39.875 1.00 0.00 N ATOM 426 CA ASP A 28 11.279 2.022 -38.901 1.00 0.00 C ATOM 427 C ASP A 28 10.750 1.184 -37.718 1.00 0.00 C ATOM 428 O ASP A 28 10.596 1.697 -36.606 1.00 0.00 O ATOM 429 CB ASP A 28 10.103 2.762 -39.586 1.00 0.00 C ATOM 430 CG ASP A 28 10.538 3.682 -40.748 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.992 3.161 -41.794 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.423 4.922 -40.627 1.00 0.00 O ATOM 0 H ASP A 28 11.393 0.918 -40.685 1.00 0.00 H new ATOM 0 HA ASP A 28 11.992 2.756 -38.525 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.393 2.026 -39.964 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.577 3.358 -38.840 1.00 0.00 H new ATOM 437 N GLU A 29 10.471 -0.106 -37.989 1.00 0.00 N ATOM 438 CA GLU A 29 9.928 -1.052 -36.995 1.00 0.00 C ATOM 439 C GLU A 29 11.004 -1.487 -35.983 1.00 0.00 C ATOM 440 O GLU A 29 10.690 -1.757 -34.818 1.00 0.00 O ATOM 441 CB GLU A 29 9.343 -2.287 -37.716 1.00 0.00 C ATOM 442 CG GLU A 29 8.180 -1.976 -38.673 1.00 0.00 C ATOM 443 CD GLU A 29 7.673 -3.218 -39.423 1.00 0.00 C ATOM 444 OE1 GLU A 29 8.246 -3.559 -40.480 1.00 0.00 O ATOM 445 OE2 GLU A 29 6.714 -3.867 -38.945 1.00 0.00 O ATOM 0 H GLU A 29 10.617 -0.523 -38.908 1.00 0.00 H new ATOM 0 HA GLU A 29 9.138 -0.546 -36.440 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.139 -2.774 -38.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.999 -3.000 -36.967 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.357 -1.539 -38.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.502 -1.227 -39.397 1.00 0.00 H new ATOM 452 N LEU A 30 12.267 -1.575 -36.441 1.00 0.00 N ATOM 453 CA LEU A 30 13.415 -1.850 -35.559 1.00 0.00 C ATOM 454 C LEU A 30 14.675 -1.204 -36.167 1.00 0.00 C ATOM 455 O LEU A 30 15.408 -1.851 -36.914 1.00 0.00 O ATOM 456 CB LEU A 30 13.584 -3.394 -35.314 1.00 0.00 C ATOM 457 CG LEU A 30 14.202 -3.842 -33.947 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.703 -3.507 -33.821 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.406 -3.235 -32.783 1.00 0.00 C ATOM 0 H LEU A 30 12.518 -1.459 -37.423 1.00 0.00 H new ATOM 0 HA LEU A 30 13.244 -1.409 -34.577 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.603 -3.860 -35.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.207 -3.796 -36.113 1.00 0.00 H new ATOM 0 HG LEU A 30 14.130 -4.929 -33.907 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.071 -3.843 -32.851 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.256 -4.011 -34.613 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.844 -2.430 -33.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.845 -3.553 -31.837 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.436 -2.147 -32.849 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.371 -3.573 -32.835 1.00 0.00 H new ATOM 471 N PRO A 31 14.904 0.113 -35.917 1.00 0.00 N ATOM 472 CA PRO A 31 16.159 0.777 -36.309 1.00 0.00 C ATOM 473 C PRO A 31 17.322 0.402 -35.360 1.00 0.00 C ATOM 474 O PRO A 31 17.093 0.008 -34.204 1.00 0.00 O ATOM 475 CB PRO A 31 15.793 2.276 -36.233 1.00 0.00 C ATOM 476 CG PRO A 31 14.738 2.358 -35.170 1.00 0.00 C ATOM 477 CD PRO A 31 13.952 1.067 -35.268 1.00 0.00 C ATOM 0 HA PRO A 31 16.517 0.483 -37.295 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.661 2.883 -35.977 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.420 2.641 -37.190 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.186 2.469 -34.182 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.092 3.222 -35.326 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.641 0.714 -34.285 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.047 1.195 -35.862 1.00 0.00 H new ATOM 485 N LYS A 32 18.561 0.533 -35.872 1.00 0.00 N ATOM 486 CA LYS A 32 19.796 0.202 -35.132 1.00 0.00 C ATOM 487 C LYS A 32 19.883 0.977 -33.808 1.00 0.00 C ATOM 488 O LYS A 32 20.153 0.388 -32.762 1.00 0.00 O ATOM 489 CB LYS A 32 21.036 0.474 -36.033 1.00 0.00 C ATOM 490 CG LYS A 32 21.192 -0.536 -37.202 1.00 0.00 C ATOM 491 CD LYS A 32 22.431 -0.270 -38.088 1.00 0.00 C ATOM 492 CE LYS A 32 22.337 1.046 -38.885 1.00 0.00 C ATOM 493 NZ LYS A 32 23.485 1.213 -39.813 1.00 0.00 N ATOM 0 H LYS A 32 18.735 0.874 -36.817 1.00 0.00 H new ATOM 0 HA LYS A 32 19.776 -0.857 -34.876 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.962 1.481 -36.442 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.935 0.445 -35.417 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.257 -1.544 -36.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.297 -0.501 -37.823 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.321 -0.243 -37.459 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.557 -1.100 -38.783 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.406 1.062 -39.452 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.303 1.888 -38.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.219 1.861 -40.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.296 1.606 -39.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.745 0.289 -40.213 1.00 0.00 H new ATOM 507 N ASN A 33 19.577 2.282 -33.872 1.00 0.00 N ATOM 508 CA ASN A 33 19.678 3.200 -32.720 1.00 0.00 C ATOM 509 C ASN A 33 18.748 2.765 -31.557 1.00 0.00 C ATOM 510 O ASN A 33 19.158 2.808 -30.401 1.00 0.00 O ATOM 511 CB ASN A 33 19.340 4.644 -33.163 1.00 0.00 C ATOM 512 CG ASN A 33 19.604 5.689 -32.074 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.671 6.288 -32.030 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.652 5.894 -31.178 1.00 0.00 N ATOM 0 H ASN A 33 19.251 2.735 -34.726 1.00 0.00 H new ATOM 0 HA ASN A 33 20.704 3.164 -32.353 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.928 4.893 -34.046 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.291 4.691 -33.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.797 6.566 -30.425 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.773 5.380 -31.241 1.00 0.00 H new ATOM 521 N ASP A 34 17.510 2.338 -31.895 1.00 0.00 N ATOM 522 CA ASP A 34 16.480 1.925 -30.899 1.00 0.00 C ATOM 523 C ASP A 34 16.935 0.687 -30.103 1.00 0.00 C ATOM 524 O ASP A 34 16.736 0.605 -28.876 1.00 0.00 O ATOM 525 CB ASP A 34 15.136 1.642 -31.622 1.00 0.00 C ATOM 526 CG ASP A 34 13.993 1.159 -30.700 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.722 1.816 -29.673 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.331 0.153 -31.033 1.00 0.00 O ATOM 0 H ASP A 34 17.192 2.268 -32.862 1.00 0.00 H new ATOM 0 HA ASP A 34 16.342 2.741 -30.189 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.814 2.551 -32.130 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.305 0.889 -32.392 1.00 0.00 H new ATOM 533 N LEU A 35 17.556 -0.253 -30.822 1.00 0.00 N ATOM 534 CA LEU A 35 18.150 -1.461 -30.232 1.00 0.00 C ATOM 535 C LEU A 35 19.254 -1.079 -29.220 1.00 0.00 C ATOM 536 O LEU A 35 19.188 -1.445 -28.044 1.00 0.00 O ATOM 537 CB LEU A 35 18.728 -2.348 -31.362 1.00 0.00 C ATOM 538 CG LEU A 35 19.409 -3.677 -30.913 1.00 0.00 C ATOM 539 CD1 LEU A 35 18.432 -4.581 -30.149 1.00 0.00 C ATOM 540 CD2 LEU A 35 20.014 -4.408 -32.109 1.00 0.00 C ATOM 0 H LEU A 35 17.662 -0.199 -31.835 1.00 0.00 H new ATOM 0 HA LEU A 35 17.382 -2.019 -29.696 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.921 -2.593 -32.052 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.457 -1.761 -31.920 1.00 0.00 H new ATOM 0 HG LEU A 35 20.217 -3.420 -30.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.941 -5.498 -29.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.074 -4.061 -29.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.586 -4.827 -30.791 1.00 0.00 H new ATOM 0 HD21 LEU A 35 20.483 -5.332 -31.771 1.00 0.00 H new ATOM 0 HD22 LEU A 35 19.229 -4.642 -32.828 1.00 0.00 H new ATOM 0 HD23 LEU A 35 20.762 -3.773 -32.583 1.00 0.00 H new ATOM 552 N ILE A 36 20.230 -0.299 -29.713 1.00 0.00 N ATOM 553 CA ILE A 36 21.368 0.230 -28.917 1.00 0.00 C ATOM 554 C ILE A 36 20.871 0.946 -27.632 1.00 0.00 C ATOM 555 O ILE A 36 21.457 0.794 -26.553 1.00 0.00 O ATOM 556 CB ILE A 36 22.223 1.227 -29.799 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.748 0.516 -31.089 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.407 1.842 -29.007 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.280 1.457 -32.165 1.00 0.00 C ATOM 0 H ILE A 36 20.258 -0.009 -30.691 1.00 0.00 H new ATOM 0 HA ILE A 36 21.992 -0.611 -28.613 1.00 0.00 H new ATOM 0 HB ILE A 36 21.561 2.043 -30.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.541 -0.177 -30.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.940 -0.079 -31.514 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.965 2.519 -29.654 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.023 2.394 -28.149 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.066 1.046 -28.661 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.622 0.875 -33.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.487 2.135 -32.480 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.113 2.035 -31.764 1.00 0.00 H new ATOM 571 N THR A 37 19.755 1.686 -27.780 1.00 0.00 N ATOM 572 CA THR A 37 19.103 2.423 -26.686 1.00 0.00 C ATOM 573 C THR A 37 18.592 1.462 -25.587 1.00 0.00 C ATOM 574 O THR A 37 18.874 1.680 -24.409 1.00 0.00 O ATOM 575 CB THR A 37 17.943 3.317 -27.230 1.00 0.00 C ATOM 576 OG1 THR A 37 18.483 4.279 -28.158 1.00 0.00 O ATOM 577 CG2 THR A 37 17.195 4.063 -26.118 1.00 0.00 C ATOM 0 H THR A 37 19.277 1.788 -28.675 1.00 0.00 H new ATOM 0 HA THR A 37 19.850 3.075 -26.234 1.00 0.00 H new ATOM 0 HB THR A 37 17.227 2.656 -27.718 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.733 3.826 -28.990 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.401 4.668 -26.556 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.762 3.343 -25.424 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.890 4.710 -25.583 1.00 0.00 H new ATOM 585 N TYR A 38 17.874 0.383 -25.982 1.00 0.00 N ATOM 586 CA TYR A 38 17.398 -0.653 -25.024 1.00 0.00 C ATOM 587 C TYR A 38 18.587 -1.247 -24.251 1.00 0.00 C ATOM 588 O TYR A 38 18.524 -1.410 -23.036 1.00 0.00 O ATOM 589 CB TYR A 38 16.630 -1.786 -25.757 1.00 0.00 C ATOM 590 CG TYR A 38 16.140 -2.953 -24.854 1.00 0.00 C ATOM 591 CD1 TYR A 38 14.887 -2.917 -24.238 1.00 0.00 C ATOM 592 CD2 TYR A 38 16.924 -4.097 -24.635 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.442 -3.967 -23.440 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.477 -5.145 -23.842 1.00 0.00 C ATOM 595 CZ TYR A 38 15.235 -5.074 -23.251 1.00 0.00 C ATOM 596 OH TYR A 38 14.779 -6.116 -22.467 1.00 0.00 O ATOM 0 H TYR A 38 17.611 0.205 -26.951 1.00 0.00 H new ATOM 0 HA TYR A 38 16.714 -0.173 -24.324 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.766 -1.350 -26.259 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.276 -2.196 -26.533 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.250 -2.057 -24.384 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.899 -4.163 -25.095 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.472 -3.912 -22.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.101 -6.013 -23.689 1.00 0.00 H new ATOM 0 HH TYR A 38 15.458 -6.822 -22.435 1.00 0.00 H new ATOM 606 N LEU A 39 19.672 -1.539 -24.979 1.00 0.00 N ATOM 607 CA LEU A 39 20.877 -2.177 -24.413 1.00 0.00 C ATOM 608 C LEU A 39 21.566 -1.265 -23.376 1.00 0.00 C ATOM 609 O LEU A 39 22.029 -1.746 -22.364 1.00 0.00 O ATOM 610 CB LEU A 39 21.864 -2.604 -25.544 1.00 0.00 C ATOM 611 CG LEU A 39 21.587 -3.998 -26.220 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.154 -4.127 -26.754 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.596 -4.281 -27.347 1.00 0.00 C ATOM 0 H LEU A 39 19.744 -1.341 -25.977 1.00 0.00 H new ATOM 0 HA LEU A 39 20.561 -3.079 -23.888 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.848 -1.838 -26.320 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.873 -2.618 -25.131 1.00 0.00 H new ATOM 0 HG LEU A 39 21.710 -4.744 -25.435 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.022 -5.109 -27.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.448 -4.010 -25.932 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.973 -3.354 -27.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.379 -5.251 -27.795 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.519 -3.505 -28.108 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.606 -4.288 -26.938 1.00 0.00 H new ATOM 625 N GLN A 40 21.618 0.050 -23.622 1.00 0.00 N ATOM 626 CA GLN A 40 22.279 0.995 -22.681 1.00 0.00 C ATOM 627 C GLN A 40 21.345 1.418 -21.532 1.00 0.00 C ATOM 628 O GLN A 40 21.815 1.910 -20.500 1.00 0.00 O ATOM 629 CB GLN A 40 22.860 2.209 -23.444 1.00 0.00 C ATOM 630 CG GLN A 40 21.824 3.078 -24.178 1.00 0.00 C ATOM 631 CD GLN A 40 22.392 3.856 -25.369 1.00 0.00 C ATOM 632 OE1 GLN A 40 21.952 4.968 -25.669 1.00 0.00 O ATOM 633 NE2 GLN A 40 23.328 3.244 -26.099 1.00 0.00 N ATOM 0 H GLN A 40 21.219 0.491 -24.451 1.00 0.00 H new ATOM 0 HA GLN A 40 23.112 0.471 -22.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.402 2.837 -22.737 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.587 1.847 -24.171 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.013 2.440 -24.528 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.391 3.784 -23.470 1.00 0.00 H new ATOM 0 HE21 GLN A 40 23.670 2.324 -25.822 1.00 0.00 H new ATOM 0 HE22 GLN A 40 23.701 3.697 -26.933 1.00 0.00 H new ATOM 642 N LYS A 41 20.023 1.240 -21.716 1.00 0.00 N ATOM 643 CA LYS A 41 19.035 1.501 -20.644 1.00 0.00 C ATOM 644 C LYS A 41 18.955 0.308 -19.671 1.00 0.00 C ATOM 645 O LYS A 41 18.932 0.494 -18.448 1.00 0.00 O ATOM 646 CB LYS A 41 17.624 1.815 -21.227 1.00 0.00 C ATOM 647 CG LYS A 41 17.531 3.173 -21.965 1.00 0.00 C ATOM 648 CD LYS A 41 16.090 3.549 -22.402 1.00 0.00 C ATOM 649 CE LYS A 41 15.145 3.819 -21.206 1.00 0.00 C ATOM 650 NZ LYS A 41 13.801 4.282 -21.638 1.00 0.00 N ATOM 0 H LYS A 41 19.612 0.918 -22.592 1.00 0.00 H new ATOM 0 HA LYS A 41 19.375 2.380 -20.096 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.343 1.019 -21.917 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.897 1.805 -20.415 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.920 3.957 -21.315 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.172 3.142 -22.846 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.128 4.436 -23.035 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.678 2.742 -23.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.040 2.908 -20.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.593 4.570 -20.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.091 3.991 -20.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.801 5.319 -21.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.569 3.861 -22.560 1.00 0.00 H new ATOM 664 N ASN A 42 18.921 -0.916 -20.220 1.00 0.00 N ATOM 665 CA ASN A 42 18.687 -2.145 -19.430 1.00 0.00 C ATOM 666 C ASN A 42 20.005 -2.770 -18.937 1.00 0.00 C ATOM 667 O ASN A 42 20.072 -3.217 -17.788 1.00 0.00 O ATOM 668 CB ASN A 42 17.840 -3.158 -20.248 1.00 0.00 C ATOM 669 CG ASN A 42 16.380 -2.711 -20.405 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.521 -3.063 -19.598 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.094 -1.908 -21.420 1.00 0.00 N ATOM 0 H ASN A 42 19.053 -1.086 -21.217 1.00 0.00 H new ATOM 0 HA ASN A 42 18.123 -1.871 -18.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.286 -3.286 -21.234 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.868 -4.131 -19.757 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.142 -1.566 -21.547 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.826 -1.632 -22.074 1.00 0.00 H new ATOM 678 N ALA A 43 21.051 -2.792 -19.788 1.00 0.00 N ATOM 679 CA ALA A 43 22.375 -3.353 -19.410 1.00 0.00 C ATOM 680 C ALA A 43 23.249 -2.300 -18.719 1.00 0.00 C ATOM 681 O ALA A 43 23.044 -1.091 -18.887 1.00 0.00 O ATOM 682 CB ALA A 43 23.106 -3.941 -20.628 1.00 0.00 C ATOM 0 H ALA A 43 21.010 -2.430 -20.741 1.00 0.00 H new ATOM 0 HA ALA A 43 22.191 -4.162 -18.703 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.070 -4.342 -20.315 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.505 -4.739 -21.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.262 -3.159 -21.371 1.00 0.00 H new ATOM 688 N ASP A 44 24.212 -2.793 -17.932 1.00 0.00 N ATOM 689 CA ASP A 44 25.154 -1.963 -17.160 1.00 0.00 C ATOM 690 C ASP A 44 26.292 -1.453 -18.057 1.00 0.00 C ATOM 691 O ASP A 44 26.544 -2.023 -19.124 1.00 0.00 O ATOM 692 CB ASP A 44 25.725 -2.780 -15.975 1.00 0.00 C ATOM 693 CG ASP A 44 24.629 -3.334 -15.046 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.243 -2.644 -14.078 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.140 -4.459 -15.293 1.00 0.00 O ATOM 0 H ASP A 44 24.364 -3.794 -17.809 1.00 0.00 H new ATOM 0 HA ASP A 44 24.618 -1.098 -16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.318 -3.608 -16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.400 -2.149 -15.397 1.00 0.00 H new ATOM 700 N ALA A 45 27.000 -0.410 -17.576 1.00 0.00 N ATOM 701 CA ALA A 45 28.055 0.306 -18.337 1.00 0.00 C ATOM 702 C ALA A 45 29.099 -0.650 -18.953 1.00 0.00 C ATOM 703 O ALA A 45 29.539 -0.447 -20.086 1.00 0.00 O ATOM 704 CB ALA A 45 28.747 1.330 -17.425 1.00 0.00 C ATOM 0 H ALA A 45 26.857 -0.034 -16.639 1.00 0.00 H new ATOM 0 HA ALA A 45 27.566 0.816 -19.167 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.521 1.853 -17.987 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.013 2.049 -17.062 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.200 0.815 -16.578 1.00 0.00 H new ATOM 710 N ALA A 46 29.434 -1.705 -18.189 1.00 0.00 N ATOM 711 CA ALA A 46 30.411 -2.743 -18.584 1.00 0.00 C ATOM 712 C ALA A 46 30.046 -3.416 -19.923 1.00 0.00 C ATOM 713 O ALA A 46 30.914 -3.648 -20.774 1.00 0.00 O ATOM 714 CB ALA A 46 30.492 -3.805 -17.484 1.00 0.00 C ATOM 0 H ALA A 46 29.030 -1.865 -17.266 1.00 0.00 H new ATOM 0 HA ALA A 46 31.376 -2.254 -18.718 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.211 -4.572 -17.771 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.811 -3.339 -16.552 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.512 -4.261 -17.345 1.00 0.00 H new ATOM 720 N PHE A 47 28.748 -3.716 -20.077 1.00 0.00 N ATOM 721 CA PHE A 47 28.204 -4.430 -21.247 1.00 0.00 C ATOM 722 C PHE A 47 28.390 -3.588 -22.519 1.00 0.00 C ATOM 723 O PHE A 47 28.790 -4.105 -23.566 1.00 0.00 O ATOM 724 CB PHE A 47 26.705 -4.741 -21.013 1.00 0.00 C ATOM 725 CG PHE A 47 26.085 -5.700 -22.026 1.00 0.00 C ATOM 726 CD1 PHE A 47 25.489 -5.236 -23.206 1.00 0.00 C ATOM 727 CD2 PHE A 47 26.097 -7.070 -21.796 1.00 0.00 C ATOM 728 CE1 PHE A 47 24.934 -6.115 -24.114 1.00 0.00 C ATOM 729 CE2 PHE A 47 25.543 -7.947 -22.703 1.00 0.00 C ATOM 730 CZ PHE A 47 24.964 -7.470 -23.860 1.00 0.00 C ATOM 0 H PHE A 47 28.038 -3.469 -19.388 1.00 0.00 H new ATOM 0 HA PHE A 47 28.743 -5.368 -21.379 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.587 -5.163 -20.015 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.147 -3.805 -21.031 1.00 0.00 H new ATOM 0 HD1 PHE A 47 25.463 -4.175 -23.408 1.00 0.00 H new ATOM 0 HD2 PHE A 47 26.547 -7.454 -20.892 1.00 0.00 H new ATOM 0 HE1 PHE A 47 24.478 -5.743 -25.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 25.562 -9.009 -22.508 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.532 -8.160 -24.570 1.00 0.00 H new ATOM 740 N LEU A 48 28.105 -2.281 -22.403 1.00 0.00 N ATOM 741 CA LEU A 48 28.249 -1.340 -23.522 1.00 0.00 C ATOM 742 C LEU A 48 29.735 -1.129 -23.858 1.00 0.00 C ATOM 743 O LEU A 48 30.100 -1.013 -25.016 1.00 0.00 O ATOM 744 CB LEU A 48 27.546 0.015 -23.227 1.00 0.00 C ATOM 745 CG LEU A 48 25.996 -0.025 -22.956 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.270 -1.056 -23.845 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.671 -0.244 -21.469 1.00 0.00 C ATOM 0 H LEU A 48 27.772 -1.852 -21.540 1.00 0.00 H new ATOM 0 HA LEU A 48 27.756 -1.776 -24.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.029 0.465 -22.360 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.725 0.680 -24.072 1.00 0.00 H new ATOM 0 HG LEU A 48 25.616 0.959 -23.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.204 -1.044 -23.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.422 -0.802 -24.894 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.671 -2.051 -23.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.590 -0.264 -21.332 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.096 -1.192 -21.139 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.096 0.569 -20.880 1.00 0.00 H new ATOM 759 N ARG A 49 30.590 -1.111 -22.834 1.00 0.00 N ATOM 760 CA ARG A 49 32.055 -1.000 -23.023 1.00 0.00 C ATOM 761 C ARG A 49 32.633 -2.261 -23.696 1.00 0.00 C ATOM 762 O ARG A 49 33.650 -2.192 -24.394 1.00 0.00 O ATOM 763 CB ARG A 49 32.745 -0.743 -21.669 1.00 0.00 C ATOM 764 CG ARG A 49 32.409 0.623 -21.033 1.00 0.00 C ATOM 765 CD ARG A 49 32.997 0.779 -19.621 1.00 0.00 C ATOM 766 NE ARG A 49 34.472 0.692 -19.642 1.00 0.00 N ATOM 767 CZ ARG A 49 35.235 -0.008 -18.790 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.694 -0.708 -17.797 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.544 -0.013 -18.955 1.00 0.00 N ATOM 0 H ARG A 49 30.301 -1.172 -21.858 1.00 0.00 H new ATOM 0 HA ARG A 49 32.248 -0.156 -23.685 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.461 -1.534 -20.974 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.824 -0.811 -21.806 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.790 1.420 -21.671 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.326 0.742 -20.987 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.693 1.738 -19.202 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.594 0.004 -18.969 1.00 0.00 H new ATOM 0 HE ARG A 49 34.955 1.213 -20.373 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.682 -0.719 -17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.291 -1.234 -17.159 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.963 0.511 -19.723 1.00 0.00 H new ATOM 0 HH22 ARG A 49 37.137 -0.541 -18.315 1.00 0.00 H new ATOM 783 N HIS A 50 31.963 -3.403 -23.477 1.00 0.00 N ATOM 784 CA HIS A 50 32.345 -4.696 -24.067 1.00 0.00 C ATOM 785 C HIS A 50 31.981 -4.722 -25.568 1.00 0.00 C ATOM 786 O HIS A 50 32.855 -4.893 -26.423 1.00 0.00 O ATOM 787 CB HIS A 50 31.644 -5.840 -23.285 1.00 0.00 C ATOM 788 CG HIS A 50 32.062 -7.227 -23.679 1.00 0.00 C ATOM 789 ND1 HIS A 50 33.223 -7.818 -23.224 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.466 -8.147 -24.470 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.316 -9.034 -23.716 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.263 -9.256 -24.474 1.00 0.00 N ATOM 0 H HIS A 50 31.136 -3.456 -22.882 1.00 0.00 H new ATOM 0 HA HIS A 50 33.423 -4.838 -23.990 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.840 -5.706 -22.221 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.567 -5.748 -23.424 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.533 -8.027 -25.000 1.00 0.00 H new ATOM 0 HE1 HIS A 50 34.119 -9.731 -23.530 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.073 -10.119 -24.983 1.00 0.00 H new ATOM 801 N TRP A 51 30.694 -4.480 -25.876 1.00 0.00 N ATOM 802 CA TRP A 51 30.157 -4.554 -27.261 1.00 0.00 C ATOM 803 C TRP A 51 30.337 -3.228 -28.035 1.00 0.00 C ATOM 804 O TRP A 51 29.753 -3.052 -29.109 1.00 0.00 O ATOM 805 CB TRP A 51 28.666 -5.001 -27.221 1.00 0.00 C ATOM 806 CG TRP A 51 28.489 -6.389 -26.651 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.162 -6.724 -25.369 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.667 -7.627 -27.352 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.116 -8.086 -25.234 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.437 -8.662 -26.438 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.011 -7.953 -28.668 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.527 -10.001 -26.801 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.097 -9.283 -29.025 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.867 -10.295 -28.091 1.00 0.00 C ATOM 0 H TRP A 51 29.993 -4.228 -25.179 1.00 0.00 H new ATOM 0 HA TRP A 51 30.734 -5.299 -27.809 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.094 -4.291 -26.623 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.255 -4.972 -28.230 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.968 -6.017 -24.576 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.882 -8.590 -24.379 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.206 -7.176 -29.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.334 -10.786 -26.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.346 -9.545 -30.043 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.959 -11.328 -28.393 1.00 0.00 H new ATOM 825 N LYS A 52 31.152 -2.307 -27.462 1.00 0.00 N ATOM 826 CA LYS A 52 31.612 -1.045 -28.112 1.00 0.00 C ATOM 827 C LYS A 52 30.464 -0.015 -28.255 1.00 0.00 C ATOM 828 O LYS A 52 30.558 0.936 -29.023 1.00 0.00 O ATOM 829 CB LYS A 52 32.299 -1.329 -29.498 1.00 0.00 C ATOM 830 CG LYS A 52 33.524 -2.298 -29.491 1.00 0.00 C ATOM 831 CD LYS A 52 34.855 -1.681 -28.950 1.00 0.00 C ATOM 832 CE LYS A 52 34.977 -1.660 -27.414 1.00 0.00 C ATOM 833 NZ LYS A 52 34.995 -3.029 -26.832 1.00 0.00 N ATOM 0 H LYS A 52 31.517 -2.419 -26.516 1.00 0.00 H new ATOM 0 HA LYS A 52 32.361 -0.603 -27.454 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.547 -1.737 -30.173 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.621 -0.377 -29.919 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.274 -3.170 -28.887 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.693 -2.652 -30.508 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.694 -2.244 -29.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.944 -0.660 -29.322 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.889 -1.135 -27.131 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.143 -1.099 -26.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.263 -2.976 -25.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 34.050 -3.454 -26.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.685 -3.615 -27.344 1.00 0.00 H new ATOM 847 N LEU A 53 29.402 -0.194 -27.450 1.00 0.00 N ATOM 848 CA LEU A 53 28.217 0.687 -27.428 1.00 0.00 C ATOM 849 C LEU A 53 28.375 1.840 -26.395 1.00 0.00 C ATOM 850 O LEU A 53 27.428 2.603 -26.167 1.00 0.00 O ATOM 851 CB LEU A 53 26.954 -0.154 -27.085 1.00 0.00 C ATOM 852 CG LEU A 53 26.825 -1.539 -27.793 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.591 -2.299 -27.295 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.809 -1.395 -29.326 1.00 0.00 C ATOM 0 H LEU A 53 29.340 -0.966 -26.786 1.00 0.00 H new ATOM 0 HA LEU A 53 28.112 1.137 -28.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.936 -0.319 -26.008 1.00 0.00 H new ATOM 0 HB3 LEU A 53 26.073 0.438 -27.331 1.00 0.00 H new ATOM 0 HG LEU A 53 27.708 -2.123 -27.532 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.525 -3.260 -27.805 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.674 -2.463 -26.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.695 -1.715 -27.505 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.718 -2.380 -29.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.962 -0.777 -29.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.735 -0.926 -29.657 1.00 0.00 H new ATOM 866 N THR A 54 29.560 1.938 -25.743 1.00 0.00 N ATOM 867 CA THR A 54 29.831 2.962 -24.702 1.00 0.00 C ATOM 868 C THR A 54 30.000 4.388 -25.286 1.00 0.00 C ATOM 869 O THR A 54 29.957 5.379 -24.536 1.00 0.00 O ATOM 870 CB THR A 54 31.084 2.566 -23.850 1.00 0.00 C ATOM 871 OG1 THR A 54 31.318 3.518 -22.797 1.00 0.00 O ATOM 872 CG2 THR A 54 32.357 2.420 -24.703 1.00 0.00 C ATOM 0 H THR A 54 30.348 1.316 -25.921 1.00 0.00 H new ATOM 0 HA THR A 54 28.953 2.989 -24.057 1.00 0.00 H new ATOM 0 HB THR A 54 30.859 1.592 -23.415 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.921 4.380 -23.041 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.195 2.145 -24.062 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.205 1.645 -25.454 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.574 3.367 -25.197 1.00 0.00 H new ATOM 880 N GLY A 55 30.187 4.483 -26.617 1.00 0.00 N ATOM 881 CA GLY A 55 30.258 5.780 -27.303 1.00 0.00 C ATOM 882 C GLY A 55 28.879 6.361 -27.591 1.00 0.00 C ATOM 883 O GLY A 55 27.861 5.842 -27.102 1.00 0.00 O ATOM 0 H GLY A 55 30.291 3.677 -27.234 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.824 6.482 -26.690 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.803 5.663 -28.240 1.00 0.00 H new ATOM 887 N THR A 56 28.834 7.450 -28.377 1.00 0.00 N ATOM 888 CA THR A 56 27.569 8.081 -28.781 1.00 0.00 C ATOM 889 C THR A 56 26.869 7.224 -29.855 1.00 0.00 C ATOM 890 O THR A 56 27.529 6.701 -30.768 1.00 0.00 O ATOM 891 CB THR A 56 27.775 9.561 -29.277 1.00 0.00 C ATOM 892 OG1 THR A 56 26.502 10.186 -29.516 1.00 0.00 O ATOM 893 CG2 THR A 56 28.636 9.662 -30.550 1.00 0.00 C ATOM 0 H THR A 56 29.665 7.913 -28.746 1.00 0.00 H new ATOM 0 HA THR A 56 26.927 8.135 -27.901 1.00 0.00 H new ATOM 0 HB THR A 56 28.312 10.078 -28.481 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.642 11.106 -29.822 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.739 10.708 -30.838 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.622 9.240 -30.357 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.157 9.109 -31.358 1.00 0.00 H new ATOM 901 N ASN A 57 25.536 7.086 -29.723 1.00 0.00 N ATOM 902 CA ASN A 57 24.698 6.219 -30.589 1.00 0.00 C ATOM 903 C ASN A 57 24.815 6.568 -32.073 1.00 0.00 C ATOM 904 O ASN A 57 24.597 5.705 -32.915 1.00 0.00 O ATOM 905 CB ASN A 57 23.211 6.264 -30.159 1.00 0.00 C ATOM 906 CG ASN A 57 22.925 5.570 -28.830 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.771 5.533 -27.933 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.721 5.012 -28.700 1.00 0.00 N ATOM 0 H ASN A 57 25.000 7.576 -29.006 1.00 0.00 H new ATOM 0 HA ASN A 57 25.082 5.207 -30.457 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.896 7.305 -30.088 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.605 5.800 -30.937 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.472 4.533 -27.835 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.049 5.065 -29.466 1.00 0.00 H new ATOM 915 N LYS A 58 25.157 7.832 -32.369 1.00 0.00 N ATOM 916 CA LYS A 58 25.405 8.319 -33.742 1.00 0.00 C ATOM 917 C LYS A 58 26.512 7.477 -34.409 1.00 0.00 C ATOM 918 O LYS A 58 26.308 6.852 -35.464 1.00 0.00 O ATOM 919 CB LYS A 58 25.833 9.809 -33.676 1.00 0.00 C ATOM 920 CG LYS A 58 25.962 10.525 -35.036 1.00 0.00 C ATOM 921 CD LYS A 58 26.438 11.995 -34.917 1.00 0.00 C ATOM 922 CE LYS A 58 25.582 12.842 -33.946 1.00 0.00 C ATOM 923 NZ LYS A 58 24.137 12.845 -34.296 1.00 0.00 N ATOM 0 H LYS A 58 25.271 8.554 -31.658 1.00 0.00 H new ATOM 0 HA LYS A 58 24.496 8.226 -34.336 1.00 0.00 H new ATOM 0 HB2 LYS A 58 25.108 10.350 -33.068 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.791 9.871 -33.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.663 9.974 -35.663 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.997 10.504 -35.542 1.00 0.00 H new ATOM 0 HD2 LYS A 58 27.475 12.007 -34.581 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.418 12.457 -35.904 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.704 12.458 -32.933 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.952 13.867 -33.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.615 13.428 -33.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.012 13.237 -35.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.772 11.872 -34.271 1.00 0.00 H new ATOM 937 N SER A 59 27.661 7.422 -33.716 1.00 0.00 N ATOM 938 CA SER A 59 28.845 6.692 -34.168 1.00 0.00 C ATOM 939 C SER A 59 28.581 5.179 -34.217 1.00 0.00 C ATOM 940 O SER A 59 29.009 4.510 -35.151 1.00 0.00 O ATOM 941 CB SER A 59 30.027 6.999 -33.231 1.00 0.00 C ATOM 942 OG SER A 59 30.316 8.389 -33.217 1.00 0.00 O ATOM 0 H SER A 59 27.790 7.889 -32.818 1.00 0.00 H new ATOM 0 HA SER A 59 29.089 7.018 -35.179 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.792 6.662 -32.221 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.907 6.444 -33.556 1.00 0.00 H new ATOM 0 HG SER A 59 31.069 8.560 -32.614 1.00 0.00 H new ATOM 948 N ILE A 60 27.841 4.662 -33.220 1.00 0.00 N ATOM 949 CA ILE A 60 27.594 3.220 -33.090 1.00 0.00 C ATOM 950 C ILE A 60 26.725 2.698 -34.253 1.00 0.00 C ATOM 951 O ILE A 60 27.111 1.752 -34.931 1.00 0.00 O ATOM 952 CB ILE A 60 26.898 2.855 -31.732 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.636 3.500 -30.512 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.823 1.318 -31.570 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.839 3.473 -29.222 1.00 0.00 C ATOM 0 H ILE A 60 27.403 5.226 -32.492 1.00 0.00 H new ATOM 0 HA ILE A 60 28.573 2.741 -33.117 1.00 0.00 H new ATOM 0 HB ILE A 60 25.887 3.262 -31.754 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.580 2.978 -30.354 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.880 4.534 -30.754 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.338 1.075 -30.624 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.248 0.893 -32.392 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.830 0.902 -31.579 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.420 3.939 -28.426 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.907 4.021 -29.359 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.617 2.440 -28.953 1.00 0.00 H new ATOM 967 N ARG A 61 25.563 3.336 -34.483 1.00 0.00 N ATOM 968 CA ARG A 61 24.622 2.907 -35.539 1.00 0.00 C ATOM 969 C ARG A 61 25.255 3.071 -36.935 1.00 0.00 C ATOM 970 O ARG A 61 25.108 2.197 -37.786 1.00 0.00 O ATOM 971 CB ARG A 61 23.268 3.679 -35.463 1.00 0.00 C ATOM 972 CG ARG A 61 23.376 5.203 -35.724 1.00 0.00 C ATOM 973 CD ARG A 61 22.015 5.915 -35.806 1.00 0.00 C ATOM 974 NE ARG A 61 21.194 5.421 -36.928 1.00 0.00 N ATOM 975 CZ ARG A 61 21.392 5.668 -38.241 1.00 0.00 C ATOM 976 NH1 ARG A 61 22.421 6.400 -38.665 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.549 5.162 -39.128 1.00 0.00 N ATOM 0 H ARG A 61 25.251 4.150 -33.953 1.00 0.00 H new ATOM 0 HA ARG A 61 24.409 1.851 -35.370 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.578 3.248 -36.189 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.831 3.523 -34.477 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.966 5.658 -34.929 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.918 5.365 -36.656 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.474 5.770 -34.871 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.174 6.987 -35.919 1.00 0.00 H new ATOM 0 HE ARG A 61 20.396 4.833 -36.688 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.082 6.789 -37.992 1.00 0.00 H new ATOM 0 HH12 ARG A 61 22.548 6.572 -39.662 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.762 4.593 -38.817 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.687 5.341 -40.123 1.00 0.00 H new ATOM 991 N LYS A 62 25.989 4.184 -37.141 1.00 0.00 N ATOM 992 CA LYS A 62 26.529 4.542 -38.462 1.00 0.00 C ATOM 993 C LYS A 62 27.727 3.642 -38.835 1.00 0.00 C ATOM 994 O LYS A 62 27.813 3.165 -39.971 1.00 0.00 O ATOM 995 CB LYS A 62 26.901 6.057 -38.482 1.00 0.00 C ATOM 996 CG LYS A 62 27.180 6.687 -39.881 1.00 0.00 C ATOM 997 CD LYS A 62 28.611 6.447 -40.433 1.00 0.00 C ATOM 998 CE LYS A 62 29.716 7.013 -39.524 1.00 0.00 C ATOM 999 NZ LYS A 62 29.603 8.488 -39.348 1.00 0.00 N ATOM 0 H LYS A 62 26.220 4.850 -36.404 1.00 0.00 H new ATOM 0 HA LYS A 62 25.766 4.371 -39.221 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.090 6.614 -38.013 1.00 0.00 H new ATOM 0 HB3 LYS A 62 27.786 6.199 -37.861 1.00 0.00 H new ATOM 0 HG2 LYS A 62 26.459 6.286 -40.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.005 7.761 -39.821 1.00 0.00 H new ATOM 0 HD2 LYS A 62 28.769 5.376 -40.561 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.693 6.902 -41.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.665 6.528 -38.549 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.691 6.774 -39.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 30.397 8.831 -38.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.627 8.951 -40.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 28.706 8.713 -38.872 1.00 0.00 H new ATOM 1013 N ASN A 63 28.634 3.404 -37.872 1.00 0.00 N ATOM 1014 CA ASN A 63 29.870 2.627 -38.120 1.00 0.00 C ATOM 1015 C ASN A 63 29.568 1.125 -38.044 1.00 0.00 C ATOM 1016 O ASN A 63 29.862 0.372 -38.978 1.00 0.00 O ATOM 1017 CB ASN A 63 31.002 3.013 -37.115 1.00 0.00 C ATOM 1018 CG ASN A 63 31.682 4.350 -37.444 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.655 4.398 -38.197 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.183 5.448 -36.887 1.00 0.00 N ATOM 0 H ASN A 63 28.538 3.737 -36.913 1.00 0.00 H new ATOM 0 HA ASN A 63 30.227 2.868 -39.121 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.583 3.065 -36.110 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.754 2.224 -37.106 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.607 6.356 -37.080 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.376 5.384 -36.266 1.00 0.00 H new ATOM 1027 N ARG A 64 28.966 0.700 -36.927 1.00 0.00 N ATOM 1028 CA ARG A 64 28.734 -0.726 -36.638 1.00 0.00 C ATOM 1029 C ARG A 64 27.491 -1.216 -37.393 1.00 0.00 C ATOM 1030 O ARG A 64 26.414 -0.604 -37.314 1.00 0.00 O ATOM 1031 CB ARG A 64 28.602 -1.018 -35.105 1.00 0.00 C ATOM 1032 CG ARG A 64 29.894 -0.818 -34.267 1.00 0.00 C ATOM 1033 CD ARG A 64 30.345 0.645 -34.174 1.00 0.00 C ATOM 1034 NE ARG A 64 31.548 0.808 -33.332 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.574 1.384 -32.122 1.00 0.00 C ATOM 1036 NH1 ARG A 64 30.469 1.883 -31.581 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.717 1.473 -31.459 1.00 0.00 N ATOM 0 H ARG A 64 28.626 1.329 -36.199 1.00 0.00 H new ATOM 0 HA ARG A 64 29.610 -1.275 -36.984 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.823 -0.374 -34.697 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.264 -2.046 -34.978 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.728 -1.203 -33.261 1.00 0.00 H new ATOM 0 HG3 ARG A 64 30.697 -1.410 -34.706 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.551 1.024 -35.175 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.534 1.248 -33.766 1.00 0.00 H new ATOM 0 HE ARG A 64 32.430 0.453 -33.701 1.00 0.00 H new ATOM 0 HH11 ARG A 64 29.585 1.831 -32.087 1.00 0.00 H new ATOM 0 HH12 ARG A 64 30.504 2.318 -30.659 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.575 1.104 -31.869 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.740 1.911 -30.538 1.00 0.00 H new ATOM 1051 N ASN A 65 27.676 -2.303 -38.147 1.00 0.00 N ATOM 1052 CA ASN A 65 26.613 -2.950 -38.928 1.00 0.00 C ATOM 1053 C ASN A 65 25.646 -3.704 -37.991 1.00 0.00 C ATOM 1054 O ASN A 65 25.865 -3.757 -36.771 1.00 0.00 O ATOM 1055 CB ASN A 65 27.240 -3.912 -39.970 1.00 0.00 C ATOM 1056 CG ASN A 65 28.270 -3.225 -40.867 1.00 0.00 C ATOM 1057 OD1 ASN A 65 27.951 -2.699 -41.932 1.00 0.00 O ATOM 1058 ND2 ASN A 65 29.515 -3.212 -40.421 1.00 0.00 N ATOM 0 H ASN A 65 28.580 -2.766 -38.235 1.00 0.00 H new ATOM 0 HA ASN A 65 26.042 -2.189 -39.460 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.715 -4.744 -39.450 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.449 -4.334 -40.590 1.00 0.00 H new ATOM 0 HD21 ASN A 65 30.247 -2.755 -40.965 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.743 -3.659 -39.533 1.00 0.00 H new ATOM 1065 N CYS A 66 24.600 -4.316 -38.578 1.00 0.00 N ATOM 1066 CA CYS A 66 23.526 -4.971 -37.812 1.00 0.00 C ATOM 1067 C CYS A 66 24.060 -6.125 -36.939 1.00 0.00 C ATOM 1068 O CYS A 66 23.711 -6.199 -35.766 1.00 0.00 O ATOM 1069 CB CYS A 66 22.415 -5.470 -38.760 1.00 0.00 C ATOM 1070 SG CYS A 66 22.965 -6.653 -40.011 1.00 0.00 S ATOM 0 H CYS A 66 24.477 -4.370 -39.589 1.00 0.00 H new ATOM 0 HA CYS A 66 23.104 -4.227 -37.137 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.628 -5.932 -38.164 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.972 -4.610 -39.262 1.00 0.00 H new ATOM 0 HG CYS A 66 21.954 -7.006 -40.748 1.00 0.00 H new ATOM 1076 N SER A 67 24.953 -6.971 -37.513 1.00 0.00 N ATOM 1077 CA SER A 67 25.460 -8.212 -36.858 1.00 0.00 C ATOM 1078 C SER A 67 26.077 -7.962 -35.462 1.00 0.00 C ATOM 1079 O SER A 67 25.904 -8.783 -34.560 1.00 0.00 O ATOM 1080 CB SER A 67 26.489 -8.928 -37.763 1.00 0.00 C ATOM 1081 OG SER A 67 25.921 -9.289 -39.005 1.00 0.00 O ATOM 0 H SER A 67 25.344 -6.815 -38.442 1.00 0.00 H new ATOM 0 HA SER A 67 24.588 -8.850 -36.712 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.346 -8.275 -37.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.861 -9.820 -37.259 1.00 0.00 H new ATOM 0 HG SER A 67 26.596 -9.738 -39.555 1.00 0.00 H new ATOM 1087 N GLN A 68 26.790 -6.828 -35.303 1.00 0.00 N ATOM 1088 CA GLN A 68 27.384 -6.406 -34.006 1.00 0.00 C ATOM 1089 C GLN A 68 26.284 -6.249 -32.932 1.00 0.00 C ATOM 1090 O GLN A 68 26.392 -6.757 -31.804 1.00 0.00 O ATOM 1091 CB GLN A 68 28.152 -5.060 -34.204 1.00 0.00 C ATOM 1092 CG GLN A 68 28.747 -4.426 -32.925 1.00 0.00 C ATOM 1093 CD GLN A 68 29.809 -5.291 -32.234 1.00 0.00 C ATOM 1094 OE1 GLN A 68 29.388 -6.118 -31.286 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 30.996 -5.207 -32.547 1.00 0.00 N flip ATOM 0 H GLN A 68 26.973 -6.176 -36.066 1.00 0.00 H new ATOM 0 HA GLN A 68 28.081 -7.171 -33.664 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.962 -5.228 -34.914 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.472 -4.340 -34.660 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.188 -3.463 -33.181 1.00 0.00 H new ATOM 0 HG3 GLN A 68 27.939 -4.229 -32.220 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.285 -4.560 -33.281 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.691 -5.784 -32.073 1.00 0.00 H new ATOM 1104 N LEU A 69 25.210 -5.579 -33.345 1.00 0.00 N ATOM 1105 CA LEU A 69 24.107 -5.165 -32.475 1.00 0.00 C ATOM 1106 C LEU A 69 23.161 -6.355 -32.170 1.00 0.00 C ATOM 1107 O LEU A 69 22.594 -6.436 -31.071 1.00 0.00 O ATOM 1108 CB LEU A 69 23.370 -3.986 -33.160 1.00 0.00 C ATOM 1109 CG LEU A 69 24.291 -2.812 -33.637 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.502 -1.752 -34.417 1.00 0.00 C ATOM 1111 CD2 LEU A 69 25.057 -2.179 -32.454 1.00 0.00 C ATOM 0 H LEU A 69 25.078 -5.301 -34.318 1.00 0.00 H new ATOM 0 HA LEU A 69 24.489 -4.832 -31.510 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.823 -4.371 -34.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.631 -3.588 -32.465 1.00 0.00 H new ATOM 0 HG LEU A 69 25.027 -3.238 -34.319 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.176 -0.955 -34.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.048 -2.210 -35.296 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.721 -1.337 -33.779 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.686 -1.368 -32.820 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.345 -1.786 -31.728 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.681 -2.936 -31.978 1.00 0.00 H new ATOM 1123 N ILE A 70 23.004 -7.274 -33.158 1.00 0.00 N ATOM 1124 CA ILE A 70 22.255 -8.547 -32.988 1.00 0.00 C ATOM 1125 C ILE A 70 22.969 -9.399 -31.934 1.00 0.00 C ATOM 1126 O ILE A 70 22.352 -9.871 -30.995 1.00 0.00 O ATOM 1127 CB ILE A 70 22.158 -9.405 -34.319 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.614 -8.559 -35.503 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.276 -10.675 -34.107 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.799 -9.181 -36.883 1.00 0.00 C ATOM 0 H ILE A 70 23.392 -7.154 -34.093 1.00 0.00 H new ATOM 0 HA ILE A 70 21.241 -8.278 -32.692 1.00 0.00 H new ATOM 0 HB ILE A 70 23.169 -9.726 -34.571 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.551 -8.379 -35.342 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.107 -7.587 -35.491 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.228 -11.244 -35.036 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.713 -11.295 -33.324 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.270 -10.375 -33.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.387 -8.514 -37.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.861 -9.335 -37.073 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.281 -10.139 -36.923 1.00 0.00 H new ATOM 1142 N ALA A 71 24.293 -9.561 -32.123 1.00 0.00 N ATOM 1143 CA ALA A 71 25.165 -10.365 -31.241 1.00 0.00 C ATOM 1144 C ALA A 71 25.110 -9.857 -29.794 1.00 0.00 C ATOM 1145 O ALA A 71 25.108 -10.648 -28.853 1.00 0.00 O ATOM 1146 CB ALA A 71 26.613 -10.347 -31.760 1.00 0.00 C ATOM 0 H ALA A 71 24.794 -9.133 -32.901 1.00 0.00 H new ATOM 0 HA ALA A 71 24.800 -11.392 -31.251 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.243 -10.943 -31.100 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.644 -10.764 -32.766 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.979 -9.321 -31.781 1.00 0.00 H new ATOM 1152 N ALA A 72 25.053 -8.525 -29.650 1.00 0.00 N ATOM 1153 CA ALA A 72 24.943 -7.862 -28.344 1.00 0.00 C ATOM 1154 C ALA A 72 23.573 -8.142 -27.660 1.00 0.00 C ATOM 1155 O ALA A 72 23.535 -8.536 -26.489 1.00 0.00 O ATOM 1156 CB ALA A 72 25.191 -6.360 -28.517 1.00 0.00 C ATOM 0 H ALA A 72 25.082 -7.877 -30.437 1.00 0.00 H new ATOM 0 HA ALA A 72 25.703 -8.274 -27.680 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.110 -5.864 -27.550 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.189 -6.201 -28.924 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.450 -5.945 -29.200 1.00 0.00 H new ATOM 1162 N TYR A 73 22.456 -7.969 -28.416 1.00 0.00 N ATOM 1163 CA TYR A 73 21.077 -8.194 -27.889 1.00 0.00 C ATOM 1164 C TYR A 73 20.878 -9.665 -27.489 1.00 0.00 C ATOM 1165 O TYR A 73 20.326 -9.968 -26.417 1.00 0.00 O ATOM 1166 CB TYR A 73 19.998 -7.790 -28.929 1.00 0.00 C ATOM 1167 CG TYR A 73 18.541 -7.938 -28.421 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.999 -7.013 -27.525 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.715 -8.999 -28.820 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.707 -7.125 -27.060 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.411 -9.114 -28.351 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.918 -8.176 -27.463 1.00 0.00 C ATOM 1173 OH TYR A 73 14.625 -8.276 -26.990 1.00 0.00 O ATOM 0 H TYR A 73 22.481 -7.675 -29.392 1.00 0.00 H new ATOM 0 HA TYR A 73 20.963 -7.563 -27.007 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.164 -6.754 -29.225 1.00 0.00 H new ATOM 0 HB3 TYR A 73 20.123 -8.401 -29.823 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.609 -6.188 -27.188 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.099 -9.741 -29.505 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.313 -6.386 -26.378 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.786 -9.932 -28.679 1.00 0.00 H new ATOM 0 HH TYR A 73 14.140 -8.954 -27.505 1.00 0.00 H new ATOM 1183 N LYS A 74 21.346 -10.564 -28.377 1.00 0.00 N ATOM 1184 CA LYS A 74 21.306 -12.016 -28.161 1.00 0.00 C ATOM 1185 C LYS A 74 22.049 -12.360 -26.882 1.00 0.00 C ATOM 1186 O LYS A 74 21.476 -12.958 -26.003 1.00 0.00 O ATOM 1187 CB LYS A 74 21.937 -12.816 -29.337 1.00 0.00 C ATOM 1188 CG LYS A 74 21.138 -12.795 -30.647 1.00 0.00 C ATOM 1189 CD LYS A 74 21.652 -13.831 -31.676 1.00 0.00 C ATOM 1190 CE LYS A 74 23.090 -13.566 -32.141 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.569 -14.595 -33.101 1.00 0.00 N ATOM 0 H LYS A 74 21.764 -10.297 -29.268 1.00 0.00 H new ATOM 0 HA LYS A 74 20.256 -12.299 -28.092 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.933 -12.419 -29.532 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.063 -13.852 -29.024 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.088 -12.993 -30.431 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.190 -11.798 -31.084 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.598 -14.827 -31.236 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.991 -13.829 -32.543 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.143 -12.583 -32.608 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.752 -13.544 -31.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.544 -14.375 -33.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.544 -15.531 -32.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.954 -14.600 -33.940 1.00 0.00 H new ATOM 1205 N ASP A 75 23.310 -11.906 -26.789 1.00 0.00 N ATOM 1206 CA ASP A 75 24.201 -12.218 -25.655 1.00 0.00 C ATOM 1207 C ASP A 75 23.554 -11.847 -24.319 1.00 0.00 C ATOM 1208 O ASP A 75 23.589 -12.630 -23.404 1.00 0.00 O ATOM 1209 CB ASP A 75 25.546 -11.471 -25.790 1.00 0.00 C ATOM 1210 CG ASP A 75 26.517 -11.708 -24.604 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.097 -12.808 -24.523 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.725 -10.792 -23.772 1.00 0.00 O ATOM 0 H ASP A 75 23.742 -11.312 -27.497 1.00 0.00 H new ATOM 0 HA ASP A 75 24.380 -13.293 -25.675 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.033 -11.783 -26.714 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.350 -10.402 -25.879 1.00 0.00 H new ATOM 1217 N PHE A 76 22.954 -10.654 -24.266 1.00 0.00 N ATOM 1218 CA PHE A 76 22.257 -10.122 -23.073 1.00 0.00 C ATOM 1219 C PHE A 76 21.110 -11.070 -22.641 1.00 0.00 C ATOM 1220 O PHE A 76 21.028 -11.523 -21.476 1.00 0.00 O ATOM 1221 CB PHE A 76 21.709 -8.705 -23.423 1.00 0.00 C ATOM 1222 CG PHE A 76 21.238 -7.844 -22.249 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.897 -7.874 -21.016 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.159 -6.968 -22.394 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.482 -7.071 -19.970 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.744 -6.167 -21.348 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.408 -6.216 -20.137 1.00 0.00 C ATOM 0 H PHE A 76 22.934 -10.014 -25.060 1.00 0.00 H new ATOM 0 HA PHE A 76 22.950 -10.053 -22.234 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.489 -8.160 -23.954 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.875 -8.823 -24.115 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.741 -8.533 -20.879 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.641 -6.916 -23.340 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.997 -7.111 -19.022 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.902 -5.503 -21.476 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.088 -5.586 -19.320 1.00 0.00 H new ATOM 1237 N CYS A 77 20.271 -11.400 -23.630 1.00 0.00 N ATOM 1238 CA CYS A 77 19.104 -12.273 -23.463 1.00 0.00 C ATOM 1239 C CYS A 77 19.534 -13.692 -22.995 1.00 0.00 C ATOM 1240 O CYS A 77 18.961 -14.246 -22.051 1.00 0.00 O ATOM 1241 CB CYS A 77 18.338 -12.330 -24.802 1.00 0.00 C ATOM 1242 SG CYS A 77 16.791 -13.235 -24.735 1.00 0.00 S ATOM 0 H CYS A 77 20.386 -11.062 -24.585 1.00 0.00 H new ATOM 0 HA CYS A 77 18.450 -11.870 -22.690 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.135 -11.312 -25.134 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.980 -12.788 -25.554 1.00 0.00 H new ATOM 0 HG CYS A 77 16.229 -13.221 -25.907 1.00 0.00 H new ATOM 1248 N GLU A 78 20.603 -14.218 -23.633 1.00 0.00 N ATOM 1249 CA GLU A 78 21.178 -15.566 -23.383 1.00 0.00 C ATOM 1250 C GLU A 78 21.972 -15.587 -22.068 1.00 0.00 C ATOM 1251 O GLU A 78 22.156 -16.643 -21.458 1.00 0.00 O ATOM 1252 CB GLU A 78 22.106 -15.977 -24.566 1.00 0.00 C ATOM 1253 CG GLU A 78 21.399 -16.051 -25.926 1.00 0.00 C ATOM 1254 CD GLU A 78 22.353 -16.366 -27.093 1.00 0.00 C ATOM 1255 OE1 GLU A 78 23.163 -15.487 -27.471 1.00 0.00 O ATOM 1256 OE2 GLU A 78 22.320 -17.495 -27.626 1.00 0.00 O ATOM 0 H GLU A 78 21.106 -13.705 -24.357 1.00 0.00 H new ATOM 0 HA GLU A 78 20.357 -16.278 -23.302 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.926 -15.262 -24.634 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.547 -16.949 -24.346 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.624 -16.816 -25.883 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.900 -15.102 -26.120 1.00 0.00 H new ATOM 1263 N HIS A 79 22.441 -14.401 -21.661 1.00 0.00 N ATOM 1264 CA HIS A 79 23.172 -14.184 -20.393 1.00 0.00 C ATOM 1265 C HIS A 79 22.171 -14.202 -19.231 1.00 0.00 C ATOM 1266 O HIS A 79 22.556 -14.385 -18.073 1.00 0.00 O ATOM 1267 CB HIS A 79 23.941 -12.830 -20.459 1.00 0.00 C ATOM 1268 CG HIS A 79 24.999 -12.608 -19.413 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.161 -13.351 -19.352 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.096 -11.692 -18.425 1.00 0.00 C ATOM 1271 CE1 HIS A 79 26.917 -12.902 -18.372 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.299 -11.893 -17.795 1.00 0.00 N ATOM 0 H HIS A 79 22.325 -13.548 -22.208 1.00 0.00 H new ATOM 0 HA HIS A 79 23.902 -14.978 -20.235 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.409 -12.751 -21.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.214 -12.021 -20.386 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.362 -10.940 -18.176 1.00 0.00 H new ATOM 0 HE1 HIS A 79 27.882 -13.295 -18.089 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.656 -11.350 -17.009 1.00 0.00 H new ATOM 1281 N GLY A 80 20.878 -13.994 -19.557 1.00 0.00 N ATOM 1282 CA GLY A 80 19.793 -14.172 -18.580 1.00 0.00 C ATOM 1283 C GLY A 80 19.330 -12.849 -18.028 1.00 0.00 C ATOM 1284 O GLY A 80 19.145 -12.716 -16.811 1.00 0.00 O ATOM 0 H GLY A 80 20.565 -13.705 -20.484 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.955 -14.684 -19.053 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.136 -14.809 -17.764 1.00 0.00 H new