USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 752 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 110 GLN : amide:sc= 0.152 K(o=0.36,f=-0.45) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.209 K(o=0.36,f=-0.34) USER MOD Set 2.1: A 103 HIS :FLIP no HD1:sc= -0.0715 F(o=-1.3,f=-0.066) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= 0.00563 USER MOD Set 3.1: A 74 GLN : amide:sc= -0.122 X(o=-2.3,f=-2.2) USER MOD Set 3.2: A 77 MET CE :methyl -144:sc= -2.19! (180deg=-2.12!) USER MOD Set 4.1: A 51 GLN : amide:sc= 0.597 X(o=1.1,f=0.74) USER MOD Set 4.2: A 99 THR OG1 : rot 0:sc= 0.544 USER MOD Set 5.1: A 40 SER OG : rot -141:sc= 1.2 USER MOD Set 5.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 44 ASN : amide:sc= 0.247 K(o=2.4,f=-2.1!) USER MOD Set 5.4: A 45 SER OG : rot 119:sc= 0.942 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0447) USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.0586 USER MOD Single : A 29 SER OG : rot -26:sc= 0.38 USER MOD Single : A 33 THR OG1 : rot 97:sc= -2.01 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0414 K(o=-0.041,f=-2.3) USER MOD Single : A 53 GLN : amide:sc= 0.113 K(o=0.11,f=-0.52) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc=-0.00875 (180deg=-0.136) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0.0673 (180deg=-0.13) USER MOD Single : A 62 TYR OH : rot -130:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0322 (180deg=-0.225) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 66 ASN : amide:sc= -0.123 K(o=-0.12,f=-3.7!) USER MOD Single : A 67 ASN : amide:sc= 0.546 K(o=0.55,f=-4.8!) USER MOD Single : A 68 MET CE :methyl 174:sc= -0.159 (180deg=-0.289) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.578 F(o=-1.1,f=-0.58) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0097) USER MOD Single : A 85 HIS : no HE2:sc= 0.396 K(o=0.4,f=-1.5) USER MOD Single : A 102 GLN : amide:sc= -0.902 X(o=-0.9,f=-0.72) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.149 F(o=-1.6!,f=-0.15) USER MOD Single : A 118 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.125) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.566 -14.885 -0.352 1.00 45.25 N ATOM 238 CA VAL A 17 5.869 -13.590 -0.308 1.00 70.13 C ATOM 239 C VAL A 17 4.838 -13.553 0.857 1.00 74.23 C ATOM 240 O VAL A 17 3.914 -14.376 0.866 1.00 75.45 O ATOM 241 CB VAL A 17 5.129 -13.320 -1.679 1.00 64.44 C ATOM 242 CG1 VAL A 17 4.429 -11.942 -1.682 1.00 44.34 C ATOM 243 CG2 VAL A 17 6.105 -13.456 -2.874 1.00 14.42 C ATOM 0 HA VAL A 17 6.614 -12.812 -0.140 1.00 70.13 H new ATOM 0 HB VAL A 17 4.355 -14.079 -1.791 1.00 64.44 H new ATOM 0 HG11 VAL A 17 3.930 -11.789 -2.639 1.00 44.34 H new ATOM 0 HG12 VAL A 17 3.692 -11.906 -0.879 1.00 44.34 H new ATOM 0 HG13 VAL A 17 5.170 -11.157 -1.529 1.00 44.34 H new ATOM 0 HG21 VAL A 17 5.570 -13.265 -3.804 1.00 14.42 H new ATOM 0 HG22 VAL A 17 6.915 -12.734 -2.766 1.00 14.42 H new ATOM 0 HG23 VAL A 17 6.518 -14.464 -2.893 1.00 14.42 H new ATOM 253 N PRO A 18 5.005 -12.629 1.872 1.00 31.12 N ATOM 254 CA PRO A 18 4.033 -12.462 2.991 1.00 44.23 C ATOM 255 C PRO A 18 2.603 -12.177 2.499 1.00 61.10 C ATOM 256 O PRO A 18 2.433 -11.519 1.460 1.00 32.44 O ATOM 257 CB PRO A 18 4.596 -11.246 3.781 1.00 21.34 C ATOM 258 CG PRO A 18 6.063 -11.253 3.472 1.00 35.31 C ATOM 259 CD PRO A 18 6.159 -11.699 2.026 1.00 42.51 C ATOM 0 HA PRO A 18 3.943 -13.370 3.588 1.00 44.23 H new ATOM 0 HB2 PRO A 18 4.127 -10.314 3.465 1.00 21.34 H new ATOM 0 HB3 PRO A 18 4.414 -11.348 4.851 1.00 21.34 H new ATOM 0 HG2 PRO A 18 6.500 -10.264 3.609 1.00 35.31 H new ATOM 0 HG3 PRO A 18 6.602 -11.934 4.131 1.00 35.31 H new ATOM 0 HD2 PRO A 18 6.089 -10.855 1.340 1.00 42.51 H new ATOM 0 HD3 PRO A 18 7.106 -12.198 1.822 1.00 42.51 H new ATOM 267 N ALA A 19 1.598 -12.674 3.258 1.00 11.21 N ATOM 268 CA ALA A 19 0.167 -12.454 2.977 1.00 71.12 C ATOM 269 C ALA A 19 -0.150 -10.967 2.785 1.00 54.40 C ATOM 270 O ALA A 19 -0.863 -10.598 1.848 1.00 33.24 O ATOM 271 CB ALA A 19 -0.695 -13.038 4.108 1.00 31.31 C ATOM 0 H ALA A 19 1.763 -13.243 4.088 1.00 11.21 H new ATOM 0 HA ALA A 19 -0.069 -12.967 2.045 1.00 71.12 H new ATOM 0 HB1 ALA A 19 -1.749 -12.868 3.887 1.00 31.31 H new ATOM 0 HB2 ALA A 19 -0.510 -14.109 4.191 1.00 31.31 H new ATOM 0 HB3 ALA A 19 -0.439 -12.551 5.049 1.00 31.31 H new ATOM 277 N PHE A 20 0.424 -10.135 3.672 1.00 14.13 N ATOM 278 CA PHE A 20 0.343 -8.671 3.607 1.00 1.03 C ATOM 279 C PHE A 20 0.711 -8.125 2.210 1.00 14.12 C ATOM 280 O PHE A 20 -0.057 -7.364 1.617 1.00 22.11 O ATOM 281 CB PHE A 20 1.285 -8.055 4.679 1.00 54.12 C ATOM 282 CG PHE A 20 1.286 -6.527 4.716 1.00 0.40 C ATOM 283 CD1 PHE A 20 0.285 -5.832 5.380 1.00 73.22 C ATOM 284 CD2 PHE A 20 2.276 -5.791 4.065 1.00 42.13 C ATOM 285 CE1 PHE A 20 0.279 -4.454 5.402 1.00 42.21 C ATOM 286 CE2 PHE A 20 2.266 -4.416 4.087 1.00 34.20 C ATOM 287 CZ PHE A 20 1.266 -3.747 4.753 1.00 33.02 C ATOM 0 H PHE A 20 0.967 -10.471 4.468 1.00 14.13 H new ATOM 0 HA PHE A 20 -0.691 -8.386 3.803 1.00 1.03 H new ATOM 0 HB2 PHE A 20 0.993 -8.430 5.660 1.00 54.12 H new ATOM 0 HB3 PHE A 20 2.302 -8.402 4.495 1.00 54.12 H new ATOM 0 HD1 PHE A 20 -0.498 -6.377 5.885 1.00 73.22 H new ATOM 0 HD2 PHE A 20 3.062 -6.309 3.536 1.00 42.13 H new ATOM 0 HE1 PHE A 20 -0.502 -3.927 5.930 1.00 42.21 H new ATOM 0 HE2 PHE A 20 3.043 -3.862 3.582 1.00 34.20 H new ATOM 0 HZ PHE A 20 1.255 -2.667 4.767 1.00 33.02 H new ATOM 297 N LEU A 21 1.875 -8.556 1.692 1.00 13.32 N ATOM 298 CA LEU A 21 2.478 -7.968 0.481 1.00 72.01 C ATOM 299 C LEU A 21 1.840 -8.510 -0.802 1.00 73.41 C ATOM 300 O LEU A 21 1.749 -7.781 -1.783 1.00 65.53 O ATOM 301 CB LEU A 21 4.011 -8.208 0.466 1.00 13.02 C ATOM 302 CG LEU A 21 4.832 -7.448 1.554 1.00 41.04 C ATOM 303 CD1 LEU A 21 6.294 -7.914 1.549 1.00 60.53 C ATOM 304 CD2 LEU A 21 4.744 -5.914 1.371 1.00 1.13 C ATOM 0 H LEU A 21 2.421 -9.316 2.097 1.00 13.32 H new ATOM 0 HA LEU A 21 2.286 -6.896 0.512 1.00 72.01 H new ATOM 0 HB2 LEU A 21 4.193 -9.276 0.582 1.00 13.02 H new ATOM 0 HB3 LEU A 21 4.394 -7.924 -0.514 1.00 13.02 H new ATOM 0 HG LEU A 21 4.394 -7.686 2.523 1.00 41.04 H new ATOM 0 HD11 LEU A 21 6.851 -7.373 2.314 1.00 60.53 H new ATOM 0 HD12 LEU A 21 6.336 -8.983 1.757 1.00 60.53 H new ATOM 0 HD13 LEU A 21 6.735 -7.717 0.572 1.00 60.53 H new ATOM 0 HD21 LEU A 21 5.329 -5.421 2.148 1.00 1.13 H new ATOM 0 HD22 LEU A 21 5.138 -5.641 0.392 1.00 1.13 H new ATOM 0 HD23 LEU A 21 3.703 -5.598 1.444 1.00 1.13 H new ATOM 316 N THR A 22 1.434 -9.794 -0.803 1.00 14.25 N ATOM 317 CA THR A 22 0.776 -10.412 -1.971 1.00 0.42 C ATOM 318 C THR A 22 -0.644 -9.833 -2.178 1.00 14.23 C ATOM 319 O THR A 22 -1.099 -9.677 -3.322 1.00 64.34 O ATOM 320 CB THR A 22 0.749 -11.980 -1.859 1.00 51.34 C ATOM 321 OG1 THR A 22 0.304 -12.566 -3.090 1.00 23.13 O ATOM 322 CG2 THR A 22 -0.140 -12.482 -0.715 1.00 21.41 C ATOM 0 H THR A 22 1.550 -10.423 -0.009 1.00 14.25 H new ATOM 0 HA THR A 22 1.368 -10.165 -2.852 1.00 0.42 H new ATOM 0 HB THR A 22 1.773 -12.286 -1.644 1.00 51.34 H new ATOM 0 HG1 THR A 22 0.295 -13.542 -3.003 1.00 23.13 H new ATOM 0 HG21 THR A 22 -0.118 -13.571 -0.688 1.00 21.41 H new ATOM 0 HG22 THR A 22 0.229 -12.088 0.232 1.00 21.41 H new ATOM 0 HG23 THR A 22 -1.164 -12.143 -0.874 1.00 21.41 H new ATOM 330 N LYS A 23 -1.328 -9.504 -1.056 1.00 20.33 N ATOM 331 CA LYS A 23 -2.600 -8.774 -1.088 1.00 32.04 C ATOM 332 C LYS A 23 -2.361 -7.335 -1.573 1.00 63.20 C ATOM 333 O LYS A 23 -3.089 -6.846 -2.430 1.00 62.54 O ATOM 334 CB LYS A 23 -3.282 -8.779 0.312 1.00 71.10 C ATOM 335 CG LYS A 23 -3.822 -10.159 0.793 1.00 73.32 C ATOM 336 CD LYS A 23 -5.273 -10.477 0.342 1.00 31.33 C ATOM 337 CE LYS A 23 -5.428 -10.824 -1.150 1.00 30.24 C ATOM 338 NZ LYS A 23 -4.703 -12.068 -1.526 1.00 70.11 N ATOM 0 H LYS A 23 -1.010 -9.739 -0.116 1.00 20.33 H new ATOM 0 HA LYS A 23 -3.273 -9.275 -1.784 1.00 32.04 H new ATOM 0 HB2 LYS A 23 -2.565 -8.413 1.047 1.00 71.10 H new ATOM 0 HB3 LYS A 23 -4.110 -8.071 0.295 1.00 71.10 H new ATOM 0 HG2 LYS A 23 -3.160 -10.942 0.423 1.00 73.32 H new ATOM 0 HG3 LYS A 23 -3.778 -10.192 1.882 1.00 73.32 H new ATOM 0 HD2 LYS A 23 -5.647 -11.312 0.935 1.00 31.33 H new ATOM 0 HD3 LYS A 23 -5.904 -9.618 0.567 1.00 31.33 H new ATOM 0 HE2 LYS A 23 -6.486 -10.940 -1.384 1.00 30.24 H new ATOM 0 HE3 LYS A 23 -5.057 -9.995 -1.753 1.00 30.24 H new ATOM 0 HZ1 LYS A 23 -4.948 -12.331 -2.502 1.00 70.11 H new ATOM 0 HZ2 LYS A 23 -3.678 -11.906 -1.458 1.00 70.11 H new ATOM 0 HZ3 LYS A 23 -4.976 -12.837 -0.881 1.00 70.11 H new ATOM 352 N LEU A 24 -1.300 -6.697 -1.027 1.00 10.11 N ATOM 353 CA LEU A 24 -0.910 -5.313 -1.357 1.00 22.41 C ATOM 354 C LEU A 24 -0.583 -5.154 -2.863 1.00 32.34 C ATOM 355 O LEU A 24 -0.955 -4.154 -3.463 1.00 72.54 O ATOM 356 CB LEU A 24 0.306 -4.883 -0.485 1.00 61.21 C ATOM 357 CG LEU A 24 0.813 -3.412 -0.656 1.00 3.21 C ATOM 358 CD1 LEU A 24 -0.267 -2.386 -0.253 1.00 71.34 C ATOM 359 CD2 LEU A 24 2.126 -3.187 0.126 1.00 52.03 C ATOM 0 H LEU A 24 -0.687 -7.135 -0.339 1.00 10.11 H new ATOM 0 HA LEU A 24 -1.757 -4.662 -1.138 1.00 22.41 H new ATOM 0 HB2 LEU A 24 0.042 -5.032 0.562 1.00 61.21 H new ATOM 0 HB3 LEU A 24 1.135 -5.556 -0.704 1.00 61.21 H new ATOM 0 HG LEU A 24 1.023 -3.256 -1.714 1.00 3.21 H new ATOM 0 HD11 LEU A 24 0.123 -1.377 -0.385 1.00 71.34 H new ATOM 0 HD12 LEU A 24 -1.148 -2.520 -0.880 1.00 71.34 H new ATOM 0 HD13 LEU A 24 -0.539 -2.536 0.792 1.00 71.34 H new ATOM 0 HD21 LEU A 24 2.458 -2.158 -0.009 1.00 52.03 H new ATOM 0 HD22 LEU A 24 1.956 -3.378 1.186 1.00 52.03 H new ATOM 0 HD23 LEU A 24 2.892 -3.867 -0.246 1.00 52.03 H new ATOM 371 N TRP A 25 0.104 -6.151 -3.442 1.00 42.32 N ATOM 372 CA TRP A 25 0.451 -6.203 -4.881 1.00 30.12 C ATOM 373 C TRP A 25 -0.799 -6.064 -5.770 1.00 11.32 C ATOM 374 O TRP A 25 -0.876 -5.169 -6.631 1.00 71.13 O ATOM 375 CB TRP A 25 1.172 -7.549 -5.162 1.00 43.25 C ATOM 376 CG TRP A 25 1.663 -7.750 -6.581 1.00 64.15 C ATOM 377 CD1 TRP A 25 2.854 -7.331 -7.110 1.00 74.02 C ATOM 378 CD2 TRP A 25 0.971 -8.426 -7.647 1.00 24.33 C ATOM 379 NE1 TRP A 25 2.946 -7.720 -8.421 1.00 4.34 N ATOM 380 CE2 TRP A 25 1.805 -8.388 -8.774 1.00 54.30 C ATOM 381 CE3 TRP A 25 -0.268 -9.070 -7.748 1.00 13.24 C ATOM 382 CZ2 TRP A 25 1.437 -8.956 -9.987 1.00 65.40 C ATOM 383 CZ3 TRP A 25 -0.635 -9.631 -8.955 1.00 32.32 C ATOM 384 CH2 TRP A 25 0.219 -9.577 -10.060 1.00 21.32 C ATOM 0 H TRP A 25 0.442 -6.959 -2.920 1.00 42.32 H new ATOM 0 HA TRP A 25 1.107 -5.366 -5.122 1.00 30.12 H new ATOM 0 HB2 TRP A 25 2.024 -7.631 -4.488 1.00 43.25 H new ATOM 0 HB3 TRP A 25 0.491 -8.363 -4.915 1.00 43.25 H new ATOM 0 HD1 TRP A 25 3.609 -6.776 -6.574 1.00 74.02 H new ATOM 0 HE1 TRP A 25 3.739 -7.540 -9.036 1.00 4.34 H new ATOM 0 HE3 TRP A 25 -0.927 -9.127 -6.894 1.00 13.24 H new ATOM 0 HZ2 TRP A 25 2.091 -8.909 -10.845 1.00 65.40 H new ATOM 0 HZ3 TRP A 25 -1.595 -10.118 -9.046 1.00 32.32 H new ATOM 0 HH2 TRP A 25 -0.088 -10.034 -10.989 1.00 21.32 H new ATOM 395 N THR A 26 -1.767 -6.972 -5.534 1.00 64.23 N ATOM 396 CA THR A 26 -3.052 -6.992 -6.238 1.00 23.23 C ATOM 397 C THR A 26 -3.826 -5.676 -5.995 1.00 2.21 C ATOM 398 O THR A 26 -4.419 -5.125 -6.914 1.00 73.55 O ATOM 399 CB THR A 26 -3.904 -8.221 -5.765 1.00 73.21 C ATOM 400 OG1 THR A 26 -3.119 -9.423 -5.849 1.00 52.43 O ATOM 401 CG2 THR A 26 -5.185 -8.412 -6.590 1.00 30.01 C ATOM 0 H THR A 26 -1.672 -7.716 -4.842 1.00 64.23 H new ATOM 0 HA THR A 26 -2.862 -7.085 -7.307 1.00 23.23 H new ATOM 0 HB THR A 26 -4.197 -8.018 -4.735 1.00 73.21 H new ATOM 0 HG1 THR A 26 -2.540 -9.492 -5.061 1.00 52.43 H new ATOM 0 HG21 THR A 26 -5.733 -9.277 -6.216 1.00 30.01 H new ATOM 0 HG22 THR A 26 -5.809 -7.523 -6.504 1.00 30.01 H new ATOM 0 HG23 THR A 26 -4.924 -8.572 -7.636 1.00 30.01 H new ATOM 409 N LEU A 27 -3.729 -5.169 -4.751 1.00 41.31 N ATOM 410 CA LEU A 27 -4.460 -3.992 -4.251 1.00 52.54 C ATOM 411 C LEU A 27 -4.062 -2.681 -4.970 1.00 14.42 C ATOM 412 O LEU A 27 -4.928 -1.940 -5.444 1.00 71.14 O ATOM 413 CB LEU A 27 -4.182 -3.906 -2.723 1.00 34.13 C ATOM 414 CG LEU A 27 -4.725 -2.679 -1.960 1.00 23.11 C ATOM 415 CD1 LEU A 27 -6.227 -2.527 -2.187 1.00 74.41 C ATOM 416 CD2 LEU A 27 -4.377 -2.768 -0.452 1.00 44.13 C ATOM 0 H LEU A 27 -3.120 -5.582 -4.045 1.00 41.31 H new ATOM 0 HA LEU A 27 -5.524 -4.110 -4.454 1.00 52.54 H new ATOM 0 HB2 LEU A 27 -4.596 -4.800 -2.257 1.00 34.13 H new ATOM 0 HB3 LEU A 27 -3.102 -3.940 -2.577 1.00 34.13 H new ATOM 0 HG LEU A 27 -4.241 -1.785 -2.352 1.00 23.11 H new ATOM 0 HD11 LEU A 27 -6.591 -1.657 -1.641 1.00 74.41 H new ATOM 0 HD12 LEU A 27 -6.423 -2.396 -3.251 1.00 74.41 H new ATOM 0 HD13 LEU A 27 -6.741 -3.420 -1.831 1.00 74.41 H new ATOM 0 HD21 LEU A 27 -4.770 -1.892 0.064 1.00 44.13 H new ATOM 0 HD22 LEU A 27 -4.821 -3.669 -0.029 1.00 44.13 H new ATOM 0 HD23 LEU A 27 -3.295 -2.806 -0.330 1.00 44.13 H new ATOM 428 N VAL A 28 -2.751 -2.413 -5.017 1.00 1.25 N ATOM 429 CA VAL A 28 -2.172 -1.225 -5.684 1.00 40.33 C ATOM 430 C VAL A 28 -2.569 -1.147 -7.184 1.00 50.42 C ATOM 431 O VAL A 28 -2.770 -0.056 -7.739 1.00 3.13 O ATOM 432 CB VAL A 28 -0.602 -1.248 -5.510 1.00 70.02 C ATOM 433 CG1 VAL A 28 0.095 -0.137 -6.315 1.00 53.32 C ATOM 434 CG2 VAL A 28 -0.215 -1.150 -4.015 1.00 71.40 C ATOM 0 H VAL A 28 -2.049 -3.018 -4.590 1.00 1.25 H new ATOM 0 HA VAL A 28 -2.577 -0.330 -5.212 1.00 40.33 H new ATOM 0 HB VAL A 28 -0.255 -2.202 -5.907 1.00 70.02 H new ATOM 0 HG11 VAL A 28 1.172 -0.197 -6.161 1.00 53.32 H new ATOM 0 HG12 VAL A 28 -0.127 -0.261 -7.375 1.00 53.32 H new ATOM 0 HG13 VAL A 28 -0.266 0.836 -5.980 1.00 53.32 H new ATOM 0 HG21 VAL A 28 0.871 -1.168 -3.918 1.00 71.40 H new ATOM 0 HG22 VAL A 28 -0.601 -0.219 -3.599 1.00 71.40 H new ATOM 0 HG23 VAL A 28 -0.641 -1.994 -3.473 1.00 71.40 H new ATOM 444 N SER A 29 -2.708 -2.326 -7.814 1.00 60.12 N ATOM 445 CA SER A 29 -3.028 -2.458 -9.247 1.00 1.53 C ATOM 446 C SER A 29 -4.545 -2.685 -9.489 1.00 34.25 C ATOM 447 O SER A 29 -4.985 -2.728 -10.642 1.00 33.44 O ATOM 448 CB SER A 29 -2.190 -3.625 -9.829 1.00 42.21 C ATOM 449 OG SER A 29 -2.383 -3.781 -11.230 1.00 33.34 O ATOM 0 H SER A 29 -2.601 -3.222 -7.339 1.00 60.12 H new ATOM 0 HA SER A 29 -2.776 -1.527 -9.754 1.00 1.53 H new ATOM 0 HB2 SER A 29 -1.134 -3.447 -9.627 1.00 42.21 H new ATOM 0 HB3 SER A 29 -2.460 -4.551 -9.322 1.00 42.21 H new ATOM 0 HG SER A 29 -3.263 -3.430 -11.480 1.00 33.34 H new ATOM 455 N ASP A 30 -5.336 -2.797 -8.406 1.00 54.51 N ATOM 456 CA ASP A 30 -6.759 -3.209 -8.473 1.00 3.43 C ATOM 457 C ASP A 30 -7.664 -2.054 -8.962 1.00 42.13 C ATOM 458 O ASP A 30 -7.611 -0.965 -8.397 1.00 41.23 O ATOM 459 CB ASP A 30 -7.221 -3.694 -7.078 1.00 71.32 C ATOM 460 CG ASP A 30 -8.681 -4.178 -7.017 1.00 42.32 C ATOM 461 OD1 ASP A 30 -9.006 -5.163 -7.702 1.00 63.11 O ATOM 462 OD2 ASP A 30 -9.491 -3.619 -6.253 1.00 44.23 O ATOM 0 H ASP A 30 -5.011 -2.606 -7.458 1.00 54.51 H new ATOM 0 HA ASP A 30 -6.846 -4.022 -9.194 1.00 3.43 H new ATOM 0 HB2 ASP A 30 -6.569 -4.506 -6.756 1.00 71.32 H new ATOM 0 HB3 ASP A 30 -7.092 -2.880 -6.364 1.00 71.32 H new ATOM 467 N PRO A 31 -8.537 -2.287 -10.000 1.00 44.40 N ATOM 468 CA PRO A 31 -9.417 -1.231 -10.577 1.00 41.51 C ATOM 469 C PRO A 31 -10.480 -0.711 -9.591 1.00 75.04 C ATOM 470 O PRO A 31 -10.973 0.407 -9.743 1.00 63.01 O ATOM 471 CB PRO A 31 -10.079 -1.942 -11.784 1.00 74.23 C ATOM 472 CG PRO A 31 -10.056 -3.394 -11.417 1.00 3.31 C ATOM 473 CD PRO A 31 -8.741 -3.591 -10.700 1.00 14.04 C ATOM 0 HA PRO A 31 -8.850 -0.339 -10.844 1.00 41.51 H new ATOM 0 HB2 PRO A 31 -11.098 -1.588 -11.944 1.00 74.23 H new ATOM 0 HB3 PRO A 31 -9.528 -1.756 -12.706 1.00 74.23 H new ATOM 0 HG2 PRO A 31 -10.899 -3.653 -10.776 1.00 3.31 H new ATOM 0 HG3 PRO A 31 -10.122 -4.027 -12.302 1.00 3.31 H new ATOM 0 HD2 PRO A 31 -8.786 -4.423 -9.997 1.00 14.04 H new ATOM 0 HD3 PRO A 31 -7.930 -3.806 -11.396 1.00 14.04 H new ATOM 481 N ASP A 32 -10.843 -1.531 -8.595 1.00 54.05 N ATOM 482 CA ASP A 32 -11.862 -1.165 -7.597 1.00 23.50 C ATOM 483 C ASP A 32 -11.275 -0.223 -6.536 1.00 1.42 C ATOM 484 O ASP A 32 -12.001 0.582 -5.953 1.00 12.43 O ATOM 485 CB ASP A 32 -12.439 -2.431 -6.904 1.00 42.40 C ATOM 486 CG ASP A 32 -13.110 -3.425 -7.868 1.00 64.21 C ATOM 487 OD1 ASP A 32 -12.396 -4.056 -8.679 1.00 23.23 O ATOM 488 OD2 ASP A 32 -14.345 -3.608 -7.794 1.00 52.33 O ATOM 0 H ASP A 32 -10.443 -2.459 -8.457 1.00 54.05 H new ATOM 0 HA ASP A 32 -12.667 -0.651 -8.122 1.00 23.50 H new ATOM 0 HB2 ASP A 32 -11.634 -2.941 -6.375 1.00 42.40 H new ATOM 0 HB3 ASP A 32 -13.167 -2.122 -6.154 1.00 42.40 H new ATOM 493 N THR A 33 -9.969 -0.341 -6.268 1.00 31.12 N ATOM 494 CA THR A 33 -9.313 0.384 -5.163 1.00 13.43 C ATOM 495 C THR A 33 -8.256 1.402 -5.641 1.00 73.12 C ATOM 496 O THR A 33 -7.738 2.149 -4.810 1.00 24.30 O ATOM 497 CB THR A 33 -8.645 -0.634 -4.182 1.00 60.14 C ATOM 498 OG1 THR A 33 -7.678 -1.418 -4.882 1.00 10.15 O ATOM 499 CG2 THR A 33 -9.669 -1.585 -3.529 1.00 35.30 C ATOM 0 H THR A 33 -9.337 -0.936 -6.804 1.00 31.12 H new ATOM 0 HA THR A 33 -10.095 0.950 -4.657 1.00 13.43 H new ATOM 0 HB THR A 33 -8.174 -0.049 -3.392 1.00 60.14 H new ATOM 0 HG1 THR A 33 -6.787 -1.033 -4.749 1.00 10.15 H new ATOM 0 HG21 THR A 33 -9.152 -2.271 -2.858 1.00 35.30 H new ATOM 0 HG22 THR A 33 -10.397 -1.003 -2.964 1.00 35.30 H new ATOM 0 HG23 THR A 33 -10.183 -2.154 -4.304 1.00 35.30 H new ATOM 507 N ASP A 34 -7.955 1.456 -6.965 1.00 52.10 N ATOM 508 CA ASP A 34 -6.835 2.288 -7.501 1.00 22.23 C ATOM 509 C ASP A 34 -7.070 3.800 -7.290 1.00 62.13 C ATOM 510 O ASP A 34 -6.120 4.582 -7.303 1.00 75.13 O ATOM 511 CB ASP A 34 -6.530 1.988 -9.000 1.00 14.53 C ATOM 512 CG ASP A 34 -7.525 2.627 -9.992 1.00 21.12 C ATOM 513 OD1 ASP A 34 -8.655 2.126 -10.117 1.00 70.31 O ATOM 514 OD2 ASP A 34 -7.179 3.640 -10.651 1.00 2.32 O ATOM 0 H ASP A 34 -8.466 0.938 -7.680 1.00 52.10 H new ATOM 0 HA ASP A 34 -5.957 2.002 -6.921 1.00 22.23 H new ATOM 0 HB2 ASP A 34 -5.526 2.343 -9.232 1.00 14.53 H new ATOM 0 HB3 ASP A 34 -6.529 0.908 -9.149 1.00 14.53 H new ATOM 519 N ALA A 35 -8.336 4.202 -7.098 1.00 31.23 N ATOM 520 CA ALA A 35 -8.690 5.598 -6.759 1.00 72.44 C ATOM 521 C ALA A 35 -8.098 6.012 -5.396 1.00 22.41 C ATOM 522 O ALA A 35 -7.714 7.165 -5.198 1.00 50.13 O ATOM 523 CB ALA A 35 -10.215 5.770 -6.745 1.00 21.22 C ATOM 0 H ALA A 35 -9.140 3.578 -7.171 1.00 31.23 H new ATOM 0 HA ALA A 35 -8.263 6.247 -7.524 1.00 72.44 H new ATOM 0 HB1 ALA A 35 -10.463 6.801 -6.494 1.00 21.22 H new ATOM 0 HB2 ALA A 35 -10.617 5.529 -7.729 1.00 21.22 H new ATOM 0 HB3 ALA A 35 -10.650 5.102 -6.002 1.00 21.22 H new ATOM 529 N LEU A 36 -8.020 5.038 -4.471 1.00 53.33 N ATOM 530 CA LEU A 36 -7.577 5.266 -3.080 1.00 53.53 C ATOM 531 C LEU A 36 -6.171 4.697 -2.834 1.00 35.34 C ATOM 532 O LEU A 36 -5.574 4.977 -1.798 1.00 34.41 O ATOM 533 CB LEU A 36 -8.597 4.645 -2.082 1.00 62.23 C ATOM 534 CG LEU A 36 -10.073 5.153 -2.203 1.00 40.33 C ATOM 535 CD1 LEU A 36 -10.950 4.619 -1.054 1.00 23.00 C ATOM 536 CD2 LEU A 36 -10.139 6.688 -2.282 1.00 63.41 C ATOM 0 H LEU A 36 -8.263 4.067 -4.666 1.00 53.33 H new ATOM 0 HA LEU A 36 -7.530 6.343 -2.917 1.00 53.53 H new ATOM 0 HB2 LEU A 36 -8.594 3.563 -2.216 1.00 62.23 H new ATOM 0 HB3 LEU A 36 -8.248 4.841 -1.068 1.00 62.23 H new ATOM 0 HG LEU A 36 -10.473 4.758 -3.137 1.00 40.33 H new ATOM 0 HD11 LEU A 36 -11.968 4.991 -1.170 1.00 23.00 H new ATOM 0 HD12 LEU A 36 -10.957 3.529 -1.078 1.00 23.00 H new ATOM 0 HD13 LEU A 36 -10.546 4.958 -0.100 1.00 23.00 H new ATOM 0 HD21 LEU A 36 -11.179 7.004 -2.365 1.00 63.41 H new ATOM 0 HD22 LEU A 36 -9.700 7.118 -1.382 1.00 63.41 H new ATOM 0 HD23 LEU A 36 -9.585 7.032 -3.155 1.00 63.41 H new ATOM 548 N ILE A 37 -5.668 3.867 -3.775 1.00 42.10 N ATOM 549 CA ILE A 37 -4.303 3.319 -3.716 1.00 54.03 C ATOM 550 C ILE A 37 -3.820 2.915 -5.129 1.00 65.43 C ATOM 551 O ILE A 37 -4.278 1.927 -5.704 1.00 74.23 O ATOM 552 CB ILE A 37 -4.208 2.119 -2.697 1.00 21.25 C ATOM 553 CG1 ILE A 37 -2.763 1.541 -2.625 1.00 61.33 C ATOM 554 CG2 ILE A 37 -5.256 1.013 -2.988 1.00 72.13 C ATOM 555 CD1 ILE A 37 -2.558 0.479 -1.550 1.00 51.45 C ATOM 0 H ILE A 37 -6.198 3.562 -4.592 1.00 42.10 H new ATOM 0 HA ILE A 37 -3.637 4.099 -3.347 1.00 54.03 H new ATOM 0 HB ILE A 37 -4.447 2.523 -1.713 1.00 21.25 H new ATOM 0 HG12 ILE A 37 -2.508 1.112 -3.594 1.00 61.33 H new ATOM 0 HG13 ILE A 37 -2.066 2.360 -2.446 1.00 61.33 H new ATOM 0 HG21 ILE A 37 -5.149 0.210 -2.259 1.00 72.13 H new ATOM 0 HG22 ILE A 37 -6.259 1.435 -2.919 1.00 72.13 H new ATOM 0 HG23 ILE A 37 -5.098 0.616 -3.991 1.00 72.13 H new ATOM 0 HD11 ILE A 37 -1.524 0.133 -1.572 1.00 51.45 H new ATOM 0 HD12 ILE A 37 -2.777 0.905 -0.571 1.00 51.45 H new ATOM 0 HD13 ILE A 37 -3.226 -0.362 -1.737 1.00 51.45 H new ATOM 567 N CYS A 38 -2.867 3.688 -5.681 1.00 54.14 N ATOM 568 CA CYS A 38 -2.427 3.533 -7.083 1.00 73.42 C ATOM 569 C CYS A 38 -0.899 3.538 -7.190 1.00 12.23 C ATOM 570 O CYS A 38 -0.220 4.247 -6.450 1.00 13.22 O ATOM 571 CB CYS A 38 -3.016 4.668 -7.941 1.00 44.15 C ATOM 572 SG CYS A 38 -2.612 6.328 -7.352 1.00 40.40 S ATOM 0 H CYS A 38 -2.384 4.431 -5.176 1.00 54.14 H new ATOM 0 HA CYS A 38 -2.788 2.572 -7.449 1.00 73.42 H new ATOM 0 HB2 CYS A 38 -2.655 4.560 -8.964 1.00 44.15 H new ATOM 0 HB3 CYS A 38 -4.100 4.560 -7.972 1.00 44.15 H new ATOM 0 HG CYS A 38 -3.150 7.211 -8.140 1.00 40.40 H new ATOM 578 N TRP A 39 -0.386 2.752 -8.148 1.00 34.50 N ATOM 579 CA TRP A 39 1.058 2.657 -8.463 1.00 21.41 C ATOM 580 C TRP A 39 1.552 3.915 -9.172 1.00 74.03 C ATOM 581 O TRP A 39 0.796 4.562 -9.903 1.00 0.43 O ATOM 582 CB TRP A 39 1.345 1.400 -9.337 1.00 60.44 C ATOM 583 CG TRP A 39 0.306 1.119 -10.416 1.00 65.03 C ATOM 584 CD1 TRP A 39 -0.771 0.287 -10.300 1.00 64.31 C ATOM 585 CD2 TRP A 39 0.241 1.656 -11.754 1.00 71.23 C ATOM 586 NE1 TRP A 39 -1.496 0.280 -11.456 1.00 65.10 N ATOM 587 CE2 TRP A 39 -0.897 1.104 -12.368 1.00 24.34 C ATOM 588 CE3 TRP A 39 1.030 2.545 -12.490 1.00 71.52 C ATOM 589 CZ2 TRP A 39 -1.266 1.409 -13.674 1.00 13.42 C ATOM 590 CZ3 TRP A 39 0.667 2.849 -13.786 1.00 11.44 C ATOM 591 CH2 TRP A 39 -0.474 2.281 -14.369 1.00 51.43 C ATOM 0 H TRP A 39 -0.965 2.154 -8.737 1.00 34.50 H new ATOM 0 HA TRP A 39 1.599 2.563 -7.521 1.00 21.41 H new ATOM 0 HB2 TRP A 39 2.318 1.520 -9.813 1.00 60.44 H new ATOM 0 HB3 TRP A 39 1.415 0.530 -8.684 1.00 60.44 H new ATOM 0 HD1 TRP A 39 -1.015 -0.285 -9.417 1.00 64.31 H new ATOM 0 HE1 TRP A 39 -2.350 -0.255 -11.615 1.00 65.10 H new ATOM 0 HE3 TRP A 39 1.911 2.988 -12.050 1.00 71.52 H new ATOM 0 HZ2 TRP A 39 -2.146 0.973 -14.123 1.00 13.42 H new ATOM 0 HZ3 TRP A 39 1.272 3.535 -14.360 1.00 11.44 H new ATOM 0 HH2 TRP A 39 -0.733 2.537 -15.386 1.00 51.43 H new ATOM 602 N SER A 40 2.824 4.255 -8.948 1.00 62.55 N ATOM 603 CA SER A 40 3.498 5.348 -9.653 1.00 4.24 C ATOM 604 C SER A 40 3.753 4.951 -11.134 1.00 14.34 C ATOM 605 O SER A 40 3.839 3.748 -11.432 1.00 53.21 O ATOM 606 CB SER A 40 4.821 5.678 -8.915 1.00 55.42 C ATOM 607 OG SER A 40 5.614 4.514 -8.695 1.00 70.51 O ATOM 0 H SER A 40 3.418 3.778 -8.270 1.00 62.55 H new ATOM 0 HA SER A 40 2.869 6.238 -9.658 1.00 4.24 H new ATOM 0 HB2 SER A 40 5.391 6.400 -9.499 1.00 55.42 H new ATOM 0 HB3 SER A 40 4.595 6.149 -7.958 1.00 55.42 H new ATOM 0 HG SER A 40 6.034 4.567 -7.811 1.00 70.51 H new ATOM 613 N PRO A 41 3.842 5.938 -12.094 1.00 1.15 N ATOM 614 CA PRO A 41 4.260 5.675 -13.510 1.00 63.11 C ATOM 615 C PRO A 41 5.523 4.782 -13.618 1.00 24.24 C ATOM 616 O PRO A 41 5.669 3.995 -14.560 1.00 10.54 O ATOM 617 CB PRO A 41 4.521 7.096 -14.055 1.00 53.42 C ATOM 618 CG PRO A 41 3.555 7.963 -13.293 1.00 25.54 C ATOM 619 CD PRO A 41 3.486 7.375 -11.894 1.00 65.04 C ATOM 0 HA PRO A 41 3.506 5.119 -14.068 1.00 63.11 H new ATOM 0 HB2 PRO A 41 5.553 7.405 -13.886 1.00 53.42 H new ATOM 0 HB3 PRO A 41 4.344 7.150 -15.129 1.00 53.42 H new ATOM 0 HG2 PRO A 41 3.896 8.998 -13.266 1.00 25.54 H new ATOM 0 HG3 PRO A 41 2.573 7.963 -13.766 1.00 25.54 H new ATOM 0 HD2 PRO A 41 4.183 7.869 -11.217 1.00 65.04 H new ATOM 0 HD3 PRO A 41 2.491 7.484 -11.463 1.00 65.04 H new ATOM 627 N SER A 42 6.414 4.914 -12.617 1.00 3.33 N ATOM 628 CA SER A 42 7.558 4.015 -12.430 1.00 25.22 C ATOM 629 C SER A 42 7.057 2.636 -11.944 1.00 21.15 C ATOM 630 O SER A 42 7.233 1.617 -12.622 1.00 70.54 O ATOM 631 CB SER A 42 8.548 4.633 -11.416 1.00 42.21 C ATOM 632 OG SER A 42 9.623 3.758 -11.124 1.00 64.34 O ATOM 0 H SER A 42 6.356 5.652 -11.915 1.00 3.33 H new ATOM 0 HA SER A 42 8.079 3.880 -13.378 1.00 25.22 H new ATOM 0 HB2 SER A 42 8.940 5.568 -11.816 1.00 42.21 H new ATOM 0 HB3 SER A 42 8.019 4.877 -10.495 1.00 42.21 H new ATOM 0 HG SER A 42 10.227 4.185 -10.481 1.00 64.34 H new ATOM 638 N GLY A 43 6.393 2.640 -10.772 1.00 52.25 N ATOM 639 CA GLY A 43 5.814 1.434 -10.166 1.00 54.52 C ATOM 640 C GLY A 43 6.628 0.882 -9.002 1.00 21.54 C ATOM 641 O GLY A 43 6.452 -0.269 -8.629 1.00 65.53 O ATOM 0 H GLY A 43 6.245 3.485 -10.220 1.00 52.25 H new ATOM 0 HA2 GLY A 43 4.806 1.661 -9.818 1.00 54.52 H new ATOM 0 HA3 GLY A 43 5.721 0.663 -10.931 1.00 54.52 H new ATOM 645 N ASN A 44 7.494 1.723 -8.417 1.00 33.32 N ATOM 646 CA ASN A 44 8.354 1.347 -7.260 1.00 72.20 C ATOM 647 C ASN A 44 7.766 1.903 -5.947 1.00 63.41 C ATOM 648 O ASN A 44 8.371 1.782 -4.874 1.00 41.32 O ATOM 649 CB ASN A 44 9.809 1.861 -7.467 1.00 43.43 C ATOM 650 CG ASN A 44 9.928 3.393 -7.562 1.00 4.42 C ATOM 651 OD1 ASN A 44 9.021 4.080 -8.040 1.00 3.33 O ATOM 652 ND2 ASN A 44 11.056 3.934 -7.132 1.00 0.33 N ATOM 0 H ASN A 44 7.626 2.686 -8.725 1.00 33.32 H new ATOM 0 HA ASN A 44 8.382 0.259 -7.193 1.00 72.20 H new ATOM 0 HB2 ASN A 44 10.428 1.510 -6.641 1.00 43.43 H new ATOM 0 HB3 ASN A 44 10.213 1.419 -8.378 1.00 43.43 H new ATOM 0 HD21 ASN A 44 11.193 4.943 -7.191 1.00 0.33 H new ATOM 0 HD22 ASN A 44 11.789 3.342 -6.741 1.00 0.33 H new ATOM 659 N SER A 45 6.560 2.481 -6.049 1.00 34.22 N ATOM 660 CA SER A 45 5.900 3.193 -4.956 1.00 3.53 C ATOM 661 C SER A 45 4.393 3.283 -5.241 1.00 53.20 C ATOM 662 O SER A 45 3.955 3.058 -6.382 1.00 14.11 O ATOM 663 CB SER A 45 6.522 4.603 -4.808 1.00 11.12 C ATOM 664 OG SER A 45 6.567 5.296 -6.046 1.00 31.44 O ATOM 0 H SER A 45 6.011 2.464 -6.909 1.00 34.22 H new ATOM 0 HA SER A 45 6.043 2.654 -4.020 1.00 3.53 H new ATOM 0 HB2 SER A 45 5.942 5.182 -4.089 1.00 11.12 H new ATOM 0 HB3 SER A 45 7.531 4.514 -4.405 1.00 11.12 H new ATOM 0 HG SER A 45 6.038 6.118 -5.980 1.00 31.44 H new ATOM 670 N PHE A 46 3.601 3.611 -4.203 1.00 52.33 N ATOM 671 CA PHE A 46 2.143 3.769 -4.338 1.00 21.33 C ATOM 672 C PHE A 46 1.629 4.923 -3.472 1.00 14.13 C ATOM 673 O PHE A 46 2.110 5.128 -2.362 1.00 2.44 O ATOM 674 CB PHE A 46 1.404 2.446 -3.994 1.00 11.20 C ATOM 675 CG PHE A 46 1.585 1.917 -2.562 1.00 1.12 C ATOM 676 CD1 PHE A 46 2.661 1.093 -2.230 1.00 21.13 C ATOM 677 CD2 PHE A 46 0.659 2.211 -1.558 1.00 64.22 C ATOM 678 CE1 PHE A 46 2.809 0.595 -0.950 1.00 74.43 C ATOM 679 CE2 PHE A 46 0.807 1.706 -0.279 1.00 64.34 C ATOM 680 CZ PHE A 46 1.880 0.897 0.023 1.00 55.43 C ATOM 0 H PHE A 46 3.950 3.772 -3.258 1.00 52.33 H new ATOM 0 HA PHE A 46 1.931 4.012 -5.379 1.00 21.33 H new ATOM 0 HB2 PHE A 46 0.339 2.593 -4.172 1.00 11.20 H new ATOM 0 HB3 PHE A 46 1.740 1.676 -4.688 1.00 11.20 H new ATOM 0 HD1 PHE A 46 3.390 0.840 -2.986 1.00 21.13 H new ATOM 0 HD2 PHE A 46 -0.187 2.843 -1.784 1.00 64.22 H new ATOM 0 HE1 PHE A 46 3.655 -0.033 -0.711 1.00 74.43 H new ATOM 0 HE2 PHE A 46 0.081 1.946 0.483 1.00 64.34 H new ATOM 0 HZ PHE A 46 1.994 0.500 1.021 1.00 55.43 H new ATOM 690 N HIS A 47 0.616 5.632 -3.992 1.00 74.33 N ATOM 691 CA HIS A 47 -0.049 6.756 -3.308 1.00 21.34 C ATOM 692 C HIS A 47 -1.322 6.241 -2.637 1.00 35.42 C ATOM 693 O HIS A 47 -1.939 5.302 -3.137 1.00 5.22 O ATOM 694 CB HIS A 47 -0.411 7.876 -4.319 1.00 61.32 C ATOM 695 CG HIS A 47 0.758 8.690 -4.803 1.00 40.42 C ATOM 696 ND1 HIS A 47 1.061 9.931 -4.291 1.00 54.24 N ATOM 697 CD2 HIS A 47 1.674 8.454 -5.769 1.00 15.21 C ATOM 698 CE1 HIS A 47 2.107 10.418 -4.917 1.00 63.32 C ATOM 699 NE2 HIS A 47 2.501 9.545 -5.819 1.00 51.12 N ATOM 0 H HIS A 47 0.228 5.439 -4.915 1.00 74.33 H new ATOM 0 HA HIS A 47 0.629 7.172 -2.563 1.00 21.34 H new ATOM 0 HB2 HIS A 47 -0.902 7.424 -5.180 1.00 61.32 H new ATOM 0 HB3 HIS A 47 -1.135 8.546 -3.854 1.00 61.32 H new ATOM 0 HD2 HIS A 47 1.741 7.570 -6.386 1.00 15.21 H new ATOM 0 HE1 HIS A 47 2.567 11.376 -4.724 1.00 63.32 H new ATOM 0 HE2 HIS A 47 3.292 9.661 -6.452 1.00 51.12 H new ATOM 708 N VAL A 48 -1.708 6.867 -1.512 1.00 73.35 N ATOM 709 CA VAL A 48 -2.927 6.521 -0.761 1.00 23.24 C ATOM 710 C VAL A 48 -3.763 7.792 -0.562 1.00 34.04 C ATOM 711 O VAL A 48 -3.343 8.703 0.148 1.00 65.43 O ATOM 712 CB VAL A 48 -2.614 5.866 0.644 1.00 3.13 C ATOM 713 CG1 VAL A 48 -3.922 5.523 1.390 1.00 63.13 C ATOM 714 CG2 VAL A 48 -1.709 4.616 0.501 1.00 22.43 C ATOM 0 H VAL A 48 -1.179 7.633 -1.095 1.00 73.35 H new ATOM 0 HA VAL A 48 -3.476 5.780 -1.342 1.00 23.24 H new ATOM 0 HB VAL A 48 -2.065 6.598 1.237 1.00 3.13 H new ATOM 0 HG11 VAL A 48 -3.684 5.073 2.354 1.00 63.13 H new ATOM 0 HG12 VAL A 48 -4.501 6.433 1.547 1.00 63.13 H new ATOM 0 HG13 VAL A 48 -4.506 4.820 0.796 1.00 63.13 H new ATOM 0 HG21 VAL A 48 -1.515 4.193 1.486 1.00 22.43 H new ATOM 0 HG22 VAL A 48 -2.209 3.874 -0.121 1.00 22.43 H new ATOM 0 HG23 VAL A 48 -0.765 4.901 0.037 1.00 22.43 H new ATOM 724 N PHE A 49 -4.951 7.812 -1.178 1.00 63.31 N ATOM 725 CA PHE A 49 -5.875 8.962 -1.168 1.00 52.34 C ATOM 726 C PHE A 49 -7.127 8.630 -0.343 1.00 32.14 C ATOM 727 O PHE A 49 -7.540 7.462 -0.291 1.00 42.21 O ATOM 728 CB PHE A 49 -6.280 9.328 -2.615 1.00 33.20 C ATOM 729 CG PHE A 49 -5.137 9.878 -3.468 1.00 62.11 C ATOM 730 CD1 PHE A 49 -4.673 11.178 -3.273 1.00 61.01 C ATOM 731 CD2 PHE A 49 -4.529 9.101 -4.460 1.00 42.44 C ATOM 732 CE1 PHE A 49 -3.645 11.688 -4.042 1.00 35.01 C ATOM 733 CE2 PHE A 49 -3.499 9.616 -5.230 1.00 22.31 C ATOM 734 CZ PHE A 49 -3.056 10.907 -5.017 1.00 73.14 C ATOM 0 H PHE A 49 -5.307 7.017 -1.708 1.00 63.31 H new ATOM 0 HA PHE A 49 -5.369 9.814 -0.713 1.00 52.34 H new ATOM 0 HB2 PHE A 49 -6.687 8.441 -3.101 1.00 33.20 H new ATOM 0 HB3 PHE A 49 -7.080 10.067 -2.580 1.00 33.20 H new ATOM 0 HD1 PHE A 49 -5.124 11.795 -2.510 1.00 61.01 H new ATOM 0 HD2 PHE A 49 -4.866 8.089 -4.627 1.00 42.44 H new ATOM 0 HE1 PHE A 49 -3.301 12.699 -3.881 1.00 35.01 H new ATOM 0 HE2 PHE A 49 -3.042 9.008 -5.997 1.00 22.31 H new ATOM 0 HZ PHE A 49 -2.249 11.306 -5.613 1.00 73.14 H new ATOM 744 N ASP A 50 -7.713 9.684 0.285 1.00 71.44 N ATOM 745 CA ASP A 50 -8.925 9.580 1.135 1.00 34.14 C ATOM 746 C ASP A 50 -8.723 8.497 2.214 1.00 31.21 C ATOM 747 O ASP A 50 -9.508 7.567 2.320 1.00 52.13 O ATOM 748 CB ASP A 50 -10.214 9.280 0.300 1.00 4.40 C ATOM 749 CG ASP A 50 -10.562 10.354 -0.743 1.00 3.21 C ATOM 750 OD1 ASP A 50 -9.882 10.428 -1.783 1.00 11.13 O ATOM 751 OD2 ASP A 50 -11.535 11.112 -0.535 1.00 62.23 O ATOM 0 H ASP A 50 -7.353 10.636 0.214 1.00 71.44 H new ATOM 0 HA ASP A 50 -9.071 10.549 1.613 1.00 34.14 H new ATOM 0 HB2 ASP A 50 -10.088 8.325 -0.209 1.00 4.40 H new ATOM 0 HB3 ASP A 50 -11.056 9.168 0.983 1.00 4.40 H new ATOM 756 N GLN A 51 -7.641 8.647 2.986 1.00 24.54 N ATOM 757 CA GLN A 51 -7.134 7.613 3.922 1.00 44.11 C ATOM 758 C GLN A 51 -8.179 7.118 4.953 1.00 14.24 C ATOM 759 O GLN A 51 -8.079 5.985 5.445 1.00 24.41 O ATOM 760 CB GLN A 51 -5.859 8.142 4.613 1.00 35.20 C ATOM 761 CG GLN A 51 -4.780 8.598 3.603 1.00 52.21 C ATOM 762 CD GLN A 51 -3.464 9.045 4.224 1.00 24.21 C ATOM 763 OE1 GLN A 51 -3.403 9.470 5.376 1.00 1.23 O ATOM 764 NE2 GLN A 51 -2.414 9.025 3.437 1.00 20.21 N ATOM 0 H GLN A 51 -7.079 9.498 2.985 1.00 24.54 H new ATOM 0 HA GLN A 51 -6.900 6.729 3.329 1.00 44.11 H new ATOM 0 HB2 GLN A 51 -6.122 8.979 5.261 1.00 35.20 H new ATOM 0 HB3 GLN A 51 -5.446 7.361 5.252 1.00 35.20 H new ATOM 0 HG2 GLN A 51 -4.579 7.777 2.914 1.00 52.21 H new ATOM 0 HG3 GLN A 51 -5.183 9.420 3.011 1.00 52.21 H new ATOM 0 HE21 GLN A 51 -2.496 8.666 2.486 1.00 20.21 H new ATOM 0 HE22 GLN A 51 -1.516 9.368 3.777 1.00 20.21 H new ATOM 773 N GLY A 52 -9.178 7.967 5.254 1.00 24.03 N ATOM 774 CA GLY A 52 -10.302 7.580 6.108 1.00 2.55 C ATOM 775 C GLY A 52 -11.236 6.585 5.409 1.00 22.04 C ATOM 776 O GLY A 52 -11.638 5.581 5.999 1.00 65.34 O ATOM 0 H GLY A 52 -9.224 8.928 4.914 1.00 24.03 H new ATOM 0 HA2 GLY A 52 -9.922 7.136 7.028 1.00 2.55 H new ATOM 0 HA3 GLY A 52 -10.865 8.469 6.391 1.00 2.55 H new ATOM 780 N GLN A 53 -11.551 6.868 4.129 1.00 71.22 N ATOM 781 CA GLN A 53 -12.426 6.018 3.289 1.00 31.05 C ATOM 782 C GLN A 53 -11.701 4.709 2.938 1.00 23.34 C ATOM 783 O GLN A 53 -12.285 3.631 3.016 1.00 51.43 O ATOM 784 CB GLN A 53 -12.817 6.785 1.995 1.00 62.32 C ATOM 785 CG GLN A 53 -13.808 6.056 1.050 1.00 73.45 C ATOM 786 CD GLN A 53 -15.187 5.780 1.669 1.00 52.22 C ATOM 787 OE1 GLN A 53 -15.645 6.487 2.566 1.00 74.31 O ATOM 788 NE2 GLN A 53 -15.883 4.775 1.166 1.00 10.34 N ATOM 0 H GLN A 53 -11.205 7.696 3.644 1.00 71.22 H new ATOM 0 HA GLN A 53 -13.334 5.777 3.842 1.00 31.05 H new ATOM 0 HB2 GLN A 53 -13.254 7.742 2.281 1.00 62.32 H new ATOM 0 HB3 GLN A 53 -11.907 7.004 1.437 1.00 62.32 H new ATOM 0 HG2 GLN A 53 -13.941 6.656 0.150 1.00 73.45 H new ATOM 0 HG3 GLN A 53 -13.366 5.109 0.740 1.00 73.45 H new ATOM 0 HE21 GLN A 53 -15.485 4.201 0.423 1.00 10.34 H new ATOM 0 HE22 GLN A 53 -16.818 4.574 1.521 1.00 10.34 H new ATOM 797 N PHE A 54 -10.422 4.852 2.546 1.00 62.54 N ATOM 798 CA PHE A 54 -9.478 3.749 2.296 1.00 31.53 C ATOM 799 C PHE A 54 -9.478 2.729 3.447 1.00 51.52 C ATOM 800 O PHE A 54 -9.654 1.531 3.226 1.00 23.12 O ATOM 801 CB PHE A 54 -8.063 4.368 2.082 1.00 52.04 C ATOM 802 CG PHE A 54 -6.903 3.378 1.975 1.00 12.14 C ATOM 803 CD1 PHE A 54 -6.568 2.793 0.758 1.00 65.31 C ATOM 804 CD2 PHE A 54 -6.131 3.047 3.098 1.00 0.32 C ATOM 805 CE1 PHE A 54 -5.513 1.907 0.667 1.00 20.22 C ATOM 806 CE2 PHE A 54 -5.077 2.162 2.999 1.00 74.32 C ATOM 807 CZ PHE A 54 -4.770 1.592 1.781 1.00 23.24 C ATOM 0 H PHE A 54 -10.004 5.769 2.390 1.00 62.54 H new ATOM 0 HA PHE A 54 -9.782 3.199 1.406 1.00 31.53 H new ATOM 0 HB2 PHE A 54 -8.086 4.969 1.173 1.00 52.04 H new ATOM 0 HB3 PHE A 54 -7.858 5.048 2.909 1.00 52.04 H new ATOM 0 HD1 PHE A 54 -7.140 3.035 -0.126 1.00 65.31 H new ATOM 0 HD2 PHE A 54 -6.365 3.491 4.054 1.00 0.32 H new ATOM 0 HE1 PHE A 54 -5.270 1.458 -0.285 1.00 20.22 H new ATOM 0 HE2 PHE A 54 -4.493 1.916 3.874 1.00 74.32 H new ATOM 0 HZ PHE A 54 -3.946 0.898 1.702 1.00 23.24 H new ATOM 817 N ALA A 55 -9.286 3.219 4.671 1.00 31.44 N ATOM 818 CA ALA A 55 -9.293 2.369 5.866 1.00 4.14 C ATOM 819 C ALA A 55 -10.670 1.690 6.078 1.00 44.33 C ATOM 820 O ALA A 55 -10.748 0.549 6.533 1.00 13.22 O ATOM 821 CB ALA A 55 -8.884 3.198 7.090 1.00 15.42 C ATOM 0 H ALA A 55 -9.122 4.207 4.864 1.00 31.44 H new ATOM 0 HA ALA A 55 -8.568 1.568 5.725 1.00 4.14 H new ATOM 0 HB1 ALA A 55 -8.890 2.564 7.977 1.00 15.42 H new ATOM 0 HB2 ALA A 55 -7.883 3.601 6.938 1.00 15.42 H new ATOM 0 HB3 ALA A 55 -9.589 4.019 7.226 1.00 15.42 H new ATOM 827 N LYS A 56 -11.738 2.401 5.695 1.00 42.13 N ATOM 828 CA LYS A 56 -13.137 1.966 5.885 1.00 1.55 C ATOM 829 C LYS A 56 -13.561 0.822 4.919 1.00 43.32 C ATOM 830 O LYS A 56 -14.277 -0.098 5.335 1.00 54.53 O ATOM 831 CB LYS A 56 -14.073 3.229 5.770 1.00 32.24 C ATOM 832 CG LYS A 56 -15.595 2.968 5.523 1.00 44.32 C ATOM 833 CD LYS A 56 -15.971 2.985 4.017 1.00 10.34 C ATOM 834 CE LYS A 56 -17.409 2.517 3.741 1.00 53.12 C ATOM 835 NZ LYS A 56 -17.630 1.094 4.134 1.00 34.22 N ATOM 0 H LYS A 56 -11.659 3.309 5.237 1.00 42.13 H new ATOM 0 HA LYS A 56 -13.235 1.530 6.879 1.00 1.55 H new ATOM 0 HB2 LYS A 56 -13.974 3.808 6.688 1.00 32.24 H new ATOM 0 HB3 LYS A 56 -13.701 3.853 4.958 1.00 32.24 H new ATOM 0 HG2 LYS A 56 -15.868 2.003 5.950 1.00 44.32 H new ATOM 0 HG3 LYS A 56 -16.179 3.725 6.047 1.00 44.32 H new ATOM 0 HD2 LYS A 56 -15.846 3.996 3.630 1.00 10.34 H new ATOM 0 HD3 LYS A 56 -15.278 2.346 3.470 1.00 10.34 H new ATOM 0 HE2 LYS A 56 -18.106 3.154 4.285 1.00 53.12 H new ATOM 0 HE3 LYS A 56 -17.630 2.637 2.680 1.00 53.12 H new ATOM 0 HZ1 LYS A 56 -18.546 0.769 3.763 1.00 34.22 H new ATOM 0 HZ2 LYS A 56 -16.869 0.504 3.743 1.00 34.22 H new ATOM 0 HZ3 LYS A 56 -17.630 1.016 5.171 1.00 34.22 H new ATOM 849 N GLU A 57 -13.161 0.902 3.629 1.00 21.33 N ATOM 850 CA GLU A 57 -13.632 -0.050 2.570 1.00 2.12 C ATOM 851 C GLU A 57 -12.524 -0.997 2.052 1.00 70.04 C ATOM 852 O GLU A 57 -12.779 -2.182 1.818 1.00 35.23 O ATOM 853 CB GLU A 57 -14.258 0.723 1.364 1.00 13.31 C ATOM 854 CG GLU A 57 -13.331 1.781 0.720 1.00 11.44 C ATOM 855 CD GLU A 57 -13.695 2.141 -0.731 1.00 62.42 C ATOM 856 OE1 GLU A 57 -14.536 3.035 -0.941 1.00 54.51 O ATOM 857 OE2 GLU A 57 -13.135 1.532 -1.665 1.00 65.21 O ATOM 0 H GLU A 57 -12.514 1.612 3.286 1.00 21.33 H new ATOM 0 HA GLU A 57 -14.388 -0.671 3.051 1.00 2.12 H new ATOM 0 HB2 GLU A 57 -14.549 0.002 0.600 1.00 13.31 H new ATOM 0 HB3 GLU A 57 -15.170 1.216 1.701 1.00 13.31 H new ATOM 0 HG2 GLU A 57 -13.358 2.687 1.325 1.00 11.44 H new ATOM 0 HG3 GLU A 57 -12.306 1.412 0.744 1.00 11.44 H new ATOM 864 N VAL A 58 -11.310 -0.469 1.887 1.00 13.25 N ATOM 865 CA VAL A 58 -10.206 -1.154 1.182 1.00 50.05 C ATOM 866 C VAL A 58 -9.513 -2.185 2.093 1.00 44.05 C ATOM 867 O VAL A 58 -9.260 -3.336 1.683 1.00 14.35 O ATOM 868 CB VAL A 58 -9.172 -0.087 0.667 1.00 63.33 C ATOM 869 CG1 VAL A 58 -7.902 -0.736 0.112 1.00 71.34 C ATOM 870 CG2 VAL A 58 -9.825 0.850 -0.379 1.00 70.32 C ATOM 0 H VAL A 58 -11.055 0.454 2.239 1.00 13.25 H new ATOM 0 HA VAL A 58 -10.620 -1.696 0.332 1.00 50.05 H new ATOM 0 HB VAL A 58 -8.871 0.514 1.525 1.00 63.33 H new ATOM 0 HG11 VAL A 58 -7.217 0.039 -0.232 1.00 71.34 H new ATOM 0 HG12 VAL A 58 -7.422 -1.323 0.895 1.00 71.34 H new ATOM 0 HG13 VAL A 58 -8.161 -1.387 -0.723 1.00 71.34 H new ATOM 0 HG21 VAL A 58 -9.092 1.580 -0.722 1.00 70.32 H new ATOM 0 HG22 VAL A 58 -10.174 0.261 -1.227 1.00 70.32 H new ATOM 0 HG23 VAL A 58 -10.669 1.369 0.074 1.00 70.32 H new ATOM 880 N LEU A 59 -9.208 -1.761 3.328 1.00 50.31 N ATOM 881 CA LEU A 59 -8.487 -2.602 4.294 1.00 13.23 C ATOM 882 C LEU A 59 -9.320 -3.831 4.762 1.00 74.32 C ATOM 883 O LEU A 59 -8.749 -4.907 4.885 1.00 52.24 O ATOM 884 CB LEU A 59 -7.958 -1.758 5.490 1.00 34.13 C ATOM 885 CG LEU A 59 -6.852 -0.710 5.128 1.00 40.54 C ATOM 886 CD1 LEU A 59 -6.310 -0.018 6.388 1.00 3.55 C ATOM 887 CD2 LEU A 59 -5.707 -1.350 4.307 1.00 21.22 C ATOM 0 H LEU A 59 -9.451 -0.836 3.682 1.00 50.31 H new ATOM 0 HA LEU A 59 -7.621 -3.012 3.774 1.00 13.23 H new ATOM 0 HB2 LEU A 59 -8.799 -1.233 5.944 1.00 34.13 H new ATOM 0 HB3 LEU A 59 -7.560 -2.436 6.245 1.00 34.13 H new ATOM 0 HG LEU A 59 -7.317 0.051 4.501 1.00 40.54 H new ATOM 0 HD11 LEU A 59 -5.544 0.704 6.106 1.00 3.55 H new ATOM 0 HD12 LEU A 59 -7.124 0.497 6.899 1.00 3.55 H new ATOM 0 HD13 LEU A 59 -5.877 -0.764 7.055 1.00 3.55 H new ATOM 0 HD21 LEU A 59 -4.959 -0.592 4.074 1.00 21.22 H new ATOM 0 HD22 LEU A 59 -5.246 -2.149 4.887 1.00 21.22 H new ATOM 0 HD23 LEU A 59 -6.109 -1.760 3.380 1.00 21.22 H new ATOM 899 N PRO A 60 -10.667 -3.724 5.053 1.00 25.12 N ATOM 900 CA PRO A 60 -11.524 -4.928 5.290 1.00 10.23 C ATOM 901 C PRO A 60 -11.717 -5.822 4.037 1.00 14.11 C ATOM 902 O PRO A 60 -12.156 -6.972 4.174 1.00 32.01 O ATOM 903 CB PRO A 60 -12.874 -4.329 5.767 1.00 14.35 C ATOM 904 CG PRO A 60 -12.878 -2.933 5.236 1.00 2.31 C ATOM 905 CD PRO A 60 -11.441 -2.473 5.291 1.00 45.11 C ATOM 0 HA PRO A 60 -11.062 -5.601 6.012 1.00 10.23 H new ATOM 0 HB2 PRO A 60 -13.719 -4.901 5.383 1.00 14.35 H new ATOM 0 HB3 PRO A 60 -12.950 -4.339 6.854 1.00 14.35 H new ATOM 0 HG2 PRO A 60 -13.260 -2.903 4.216 1.00 2.31 H new ATOM 0 HG3 PRO A 60 -13.519 -2.287 5.836 1.00 2.31 H new ATOM 0 HD2 PRO A 60 -11.231 -1.720 4.531 1.00 45.11 H new ATOM 0 HD3 PRO A 60 -11.198 -2.028 6.256 1.00 45.11 H new ATOM 913 N LYS A 61 -11.437 -5.284 2.827 1.00 11.03 N ATOM 914 CA LYS A 61 -11.522 -6.066 1.573 1.00 51.41 C ATOM 915 C LYS A 61 -10.358 -7.068 1.479 1.00 1.34 C ATOM 916 O LYS A 61 -10.578 -8.280 1.364 1.00 30.42 O ATOM 917 CB LYS A 61 -11.535 -5.137 0.316 1.00 32.11 C ATOM 918 CG LYS A 61 -11.615 -5.896 -1.035 1.00 54.50 C ATOM 919 CD LYS A 61 -11.606 -4.963 -2.275 1.00 12.40 C ATOM 920 CE LYS A 61 -11.691 -5.757 -3.598 1.00 71.31 C ATOM 921 NZ LYS A 61 -11.704 -4.873 -4.801 1.00 62.54 N ATOM 0 H LYS A 61 -11.151 -4.314 2.694 1.00 11.03 H new ATOM 0 HA LYS A 61 -12.463 -6.616 1.594 1.00 51.41 H new ATOM 0 HB2 LYS A 61 -12.384 -4.458 0.389 1.00 32.11 H new ATOM 0 HB3 LYS A 61 -10.634 -4.523 0.322 1.00 32.11 H new ATOM 0 HG2 LYS A 61 -10.774 -6.586 -1.104 1.00 54.50 H new ATOM 0 HG3 LYS A 61 -12.524 -6.498 -1.050 1.00 54.50 H new ATOM 0 HD2 LYS A 61 -12.445 -4.270 -2.213 1.00 12.40 H new ATOM 0 HD3 LYS A 61 -10.696 -4.363 -2.270 1.00 12.40 H new ATOM 0 HE2 LYS A 61 -10.843 -6.439 -3.663 1.00 71.31 H new ATOM 0 HE3 LYS A 61 -12.593 -6.369 -3.592 1.00 71.31 H new ATOM 0 HZ1 LYS A 61 -12.155 -5.372 -5.594 1.00 62.54 H new ATOM 0 HZ2 LYS A 61 -12.238 -4.006 -4.589 1.00 62.54 H new ATOM 0 HZ3 LYS A 61 -10.728 -4.624 -5.059 1.00 62.54 H new ATOM 935 N TYR A 62 -9.121 -6.551 1.531 1.00 14.12 N ATOM 936 CA TYR A 62 -7.905 -7.379 1.359 1.00 44.15 C ATOM 937 C TYR A 62 -7.445 -8.010 2.677 1.00 41.15 C ATOM 938 O TYR A 62 -7.036 -9.179 2.709 1.00 11.24 O ATOM 939 CB TYR A 62 -6.770 -6.547 0.689 1.00 73.43 C ATOM 940 CG TYR A 62 -6.960 -6.440 -0.827 1.00 51.50 C ATOM 941 CD1 TYR A 62 -7.879 -5.556 -1.384 1.00 15.15 C ATOM 942 CD2 TYR A 62 -6.245 -7.261 -1.695 1.00 64.14 C ATOM 943 CE1 TYR A 62 -8.077 -5.497 -2.749 1.00 15.34 C ATOM 944 CE2 TYR A 62 -6.444 -7.216 -3.054 1.00 73.31 C ATOM 945 CZ TYR A 62 -7.357 -6.328 -3.580 1.00 74.14 C ATOM 946 OH TYR A 62 -7.559 -6.287 -4.939 1.00 24.15 O ATOM 0 H TYR A 62 -8.930 -5.562 1.691 1.00 14.12 H new ATOM 0 HA TYR A 62 -8.157 -8.206 0.695 1.00 44.15 H new ATOM 0 HB2 TYR A 62 -6.747 -5.548 1.124 1.00 73.43 H new ATOM 0 HB3 TYR A 62 -5.806 -7.009 0.903 1.00 73.43 H new ATOM 0 HD1 TYR A 62 -8.448 -4.904 -0.737 1.00 15.15 H new ATOM 0 HD2 TYR A 62 -5.517 -7.949 -1.291 1.00 64.14 H new ATOM 0 HE1 TYR A 62 -8.793 -4.803 -3.164 1.00 15.34 H new ATOM 0 HE2 TYR A 62 -5.888 -7.873 -3.706 1.00 73.31 H new ATOM 0 HH TYR A 62 -7.699 -7.196 -5.276 1.00 24.15 H new ATOM 956 N PHE A 63 -7.522 -7.244 3.757 1.00 23.31 N ATOM 957 CA PHE A 63 -7.090 -7.690 5.095 1.00 34.13 C ATOM 958 C PHE A 63 -8.340 -7.947 5.959 1.00 15.53 C ATOM 959 O PHE A 63 -9.470 -7.796 5.475 1.00 64.42 O ATOM 960 CB PHE A 63 -6.144 -6.608 5.703 1.00 74.04 C ATOM 961 CG PHE A 63 -5.006 -6.208 4.752 1.00 60.33 C ATOM 962 CD1 PHE A 63 -3.926 -7.064 4.525 1.00 61.14 C ATOM 963 CD2 PHE A 63 -5.042 -4.998 4.051 1.00 61.43 C ATOM 964 CE1 PHE A 63 -2.920 -6.717 3.638 1.00 64.20 C ATOM 965 CE2 PHE A 63 -4.036 -4.660 3.158 1.00 54.12 C ATOM 966 CZ PHE A 63 -2.976 -5.519 2.954 1.00 70.32 C ATOM 0 H PHE A 63 -7.886 -6.291 3.740 1.00 23.31 H new ATOM 0 HA PHE A 63 -6.529 -8.624 5.046 1.00 34.13 H new ATOM 0 HB2 PHE A 63 -6.728 -5.723 5.956 1.00 74.04 H new ATOM 0 HB3 PHE A 63 -5.718 -6.986 6.633 1.00 74.04 H new ATOM 0 HD1 PHE A 63 -3.875 -8.008 5.047 1.00 61.14 H new ATOM 0 HD2 PHE A 63 -5.865 -4.317 4.207 1.00 61.43 H new ATOM 0 HE1 PHE A 63 -2.088 -7.387 3.481 1.00 64.20 H new ATOM 0 HE2 PHE A 63 -4.083 -3.724 2.622 1.00 54.12 H new ATOM 0 HZ PHE A 63 -2.191 -5.255 2.260 1.00 70.32 H new ATOM 976 N LYS A 64 -8.154 -8.326 7.229 1.00 45.52 N ATOM 977 CA LYS A 64 -9.279 -8.675 8.125 1.00 10.02 C ATOM 978 C LYS A 64 -9.292 -7.718 9.334 1.00 15.30 C ATOM 979 O LYS A 64 -9.291 -8.124 10.500 1.00 74.02 O ATOM 980 CB LYS A 64 -9.218 -10.182 8.516 1.00 54.13 C ATOM 981 CG LYS A 64 -7.887 -10.655 9.141 1.00 15.14 C ATOM 982 CD LYS A 64 -7.930 -12.143 9.567 1.00 14.50 C ATOM 983 CE LYS A 64 -6.644 -12.592 10.275 1.00 13.00 C ATOM 984 NZ LYS A 64 -6.364 -11.789 11.500 1.00 3.41 N ATOM 0 H LYS A 64 -7.236 -8.401 7.666 1.00 45.52 H new ATOM 0 HA LYS A 64 -10.230 -8.542 7.609 1.00 10.02 H new ATOM 0 HB2 LYS A 64 -10.024 -10.389 9.220 1.00 54.13 H new ATOM 0 HB3 LYS A 64 -9.413 -10.779 7.625 1.00 54.13 H new ATOM 0 HG2 LYS A 64 -7.080 -10.509 8.423 1.00 15.14 H new ATOM 0 HG3 LYS A 64 -7.657 -10.038 10.010 1.00 15.14 H new ATOM 0 HD2 LYS A 64 -8.780 -12.303 10.230 1.00 14.50 H new ATOM 0 HD3 LYS A 64 -8.091 -12.765 8.686 1.00 14.50 H new ATOM 0 HE2 LYS A 64 -6.729 -13.645 10.545 1.00 13.00 H new ATOM 0 HE3 LYS A 64 -5.803 -12.506 9.586 1.00 13.00 H new ATOM 0 HZ1 LYS A 64 -5.624 -12.258 12.061 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -6.041 -10.839 11.226 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -7.231 -11.710 12.069 1.00 3.41 H new ATOM 998 N HIS A 65 -9.320 -6.415 8.995 1.00 34.44 N ATOM 999 CA HIS A 65 -9.367 -5.278 9.941 1.00 35.30 C ATOM 1000 C HIS A 65 -9.622 -4.001 9.128 1.00 52.04 C ATOM 1001 O HIS A 65 -9.543 -4.028 7.898 1.00 51.21 O ATOM 1002 CB HIS A 65 -8.042 -5.124 10.742 1.00 3.54 C ATOM 1003 CG HIS A 65 -6.851 -4.758 9.892 1.00 13.14 C ATOM 1004 ND1 HIS A 65 -6.435 -3.457 9.673 1.00 73.31 N ATOM 1005 CD2 HIS A 65 -5.990 -5.536 9.200 1.00 71.44 C ATOM 1006 CE1 HIS A 65 -5.375 -3.464 8.892 1.00 24.24 C ATOM 1007 NE2 HIS A 65 -5.087 -4.711 8.594 1.00 65.40 N ATOM 0 H HIS A 65 -9.310 -6.112 8.021 1.00 34.44 H new ATOM 0 HA HIS A 65 -10.161 -5.458 10.665 1.00 35.30 H new ATOM 0 HB2 HIS A 65 -8.178 -4.359 11.507 1.00 3.54 H new ATOM 0 HB3 HIS A 65 -7.832 -6.060 11.260 1.00 3.54 H new ATOM 0 HD2 HIS A 65 -6.012 -6.614 9.138 1.00 71.44 H new ATOM 0 HE1 HIS A 65 -4.834 -2.593 8.554 1.00 24.24 H new ATOM 0 HE2 HIS A 65 -4.312 -5.014 8.004 1.00 65.40 H new ATOM 1016 N ASN A 66 -9.871 -2.871 9.805 1.00 24.40 N ATOM 1017 CA ASN A 66 -10.146 -1.586 9.117 1.00 34.21 C ATOM 1018 C ASN A 66 -9.074 -0.529 9.465 1.00 34.04 C ATOM 1019 O ASN A 66 -8.842 0.391 8.684 1.00 65.22 O ATOM 1020 CB ASN A 66 -11.573 -1.054 9.448 1.00 62.33 C ATOM 1021 CG ASN A 66 -12.724 -2.016 9.082 1.00 10.14 C ATOM 1022 OD1 ASN A 66 -12.615 -3.237 9.198 1.00 41.42 O ATOM 1023 ND2 ASN A 66 -13.835 -1.473 8.617 1.00 61.32 N ATOM 0 H ASN A 66 -9.889 -2.813 10.823 1.00 24.40 H new ATOM 0 HA ASN A 66 -10.103 -1.775 8.044 1.00 34.21 H new ATOM 0 HB2 ASN A 66 -11.626 -0.836 10.515 1.00 62.33 H new ATOM 0 HB3 ASN A 66 -11.725 -0.111 8.922 1.00 62.33 H new ATOM 0 HD21 ASN A 66 -14.619 -2.067 8.348 1.00 61.32 H new ATOM 0 HD22 ASN A 66 -13.909 -0.460 8.527 1.00 61.32 H new ATOM 1030 N ASN A 67 -8.409 -0.682 10.629 1.00 5.03 N ATOM 1031 CA ASN A 67 -7.452 0.321 11.160 1.00 40.31 C ATOM 1032 C ASN A 67 -6.224 0.501 10.233 1.00 20.32 C ATOM 1033 O ASN A 67 -5.533 -0.474 9.910 1.00 40.02 O ATOM 1034 CB ASN A 67 -7.011 -0.067 12.598 1.00 25.31 C ATOM 1035 CG ASN A 67 -5.963 0.889 13.196 1.00 23.32 C ATOM 1036 OD1 ASN A 67 -4.767 0.618 13.164 1.00 72.21 O ATOM 1037 ND2 ASN A 67 -6.400 2.029 13.694 1.00 74.10 N ATOM 0 H ASN A 67 -8.517 -1.500 11.228 1.00 5.03 H new ATOM 0 HA ASN A 67 -7.965 1.282 11.196 1.00 40.31 H new ATOM 0 HB2 ASN A 67 -7.887 -0.085 13.246 1.00 25.31 H new ATOM 0 HB3 ASN A 67 -6.604 -1.078 12.585 1.00 25.31 H new ATOM 0 HD21 ASN A 67 -5.738 2.711 14.065 1.00 74.10 H new ATOM 0 HD22 ASN A 67 -7.400 2.229 13.708 1.00 74.10 H new ATOM 1044 N MET A 68 -5.963 1.767 9.839 1.00 31.14 N ATOM 1045 CA MET A 68 -4.883 2.118 8.895 1.00 60.15 C ATOM 1046 C MET A 68 -3.544 2.326 9.618 1.00 4.22 C ATOM 1047 O MET A 68 -2.496 2.077 9.037 1.00 13.21 O ATOM 1048 CB MET A 68 -5.238 3.383 8.058 1.00 20.13 C ATOM 1049 CG MET A 68 -4.196 3.742 6.998 1.00 70.13 C ATOM 1050 SD MET A 68 -4.575 5.269 6.137 1.00 44.32 S ATOM 1051 CE MET A 68 -3.171 5.340 5.039 1.00 33.11 C ATOM 0 H MET A 68 -6.496 2.573 10.167 1.00 31.14 H new ATOM 0 HA MET A 68 -4.779 1.274 8.214 1.00 60.15 H new ATOM 0 HB2 MET A 68 -6.199 3.224 7.569 1.00 20.13 H new ATOM 0 HB3 MET A 68 -5.361 4.230 8.733 1.00 20.13 H new ATOM 0 HG2 MET A 68 -3.218 3.831 7.472 1.00 70.13 H new ATOM 0 HG3 MET A 68 -4.127 2.930 6.274 1.00 70.13 H new ATOM 0 HE1 MET A 68 -3.291 6.174 4.348 1.00 33.11 H new ATOM 0 HE2 MET A 68 -2.260 5.480 5.621 1.00 33.11 H new ATOM 0 HE3 MET A 68 -3.102 4.409 4.476 1.00 33.11 H new ATOM 1061 N ALA A 69 -3.583 2.773 10.887 1.00 43.14 N ATOM 1062 CA ALA A 69 -2.360 3.023 11.689 1.00 43.34 C ATOM 1063 C ALA A 69 -1.498 1.744 11.816 1.00 1.53 C ATOM 1064 O ALA A 69 -0.264 1.806 11.819 1.00 14.30 O ATOM 1065 CB ALA A 69 -2.741 3.572 13.069 1.00 21.11 C ATOM 0 H ALA A 69 -4.451 2.971 11.385 1.00 43.14 H new ATOM 0 HA ALA A 69 -1.756 3.769 11.172 1.00 43.34 H new ATOM 0 HB1 ALA A 69 -1.837 3.753 13.651 1.00 21.11 H new ATOM 0 HB2 ALA A 69 -3.289 4.507 12.950 1.00 21.11 H new ATOM 0 HB3 ALA A 69 -3.368 2.847 13.588 1.00 21.11 H new ATOM 1071 N SER A 70 -2.189 0.588 11.886 1.00 34.04 N ATOM 1072 CA SER A 70 -1.575 -0.743 11.871 1.00 54.01 C ATOM 1073 C SER A 70 -0.920 -1.028 10.505 1.00 63.33 C ATOM 1074 O SER A 70 0.216 -1.484 10.450 1.00 70.33 O ATOM 1075 CB SER A 70 -2.646 -1.811 12.182 1.00 43.12 C ATOM 1076 OG SER A 70 -2.097 -3.121 12.199 1.00 31.22 O ATOM 0 H SER A 70 -3.206 0.560 11.956 1.00 34.04 H new ATOM 0 HA SER A 70 -0.797 -0.779 12.634 1.00 54.01 H new ATOM 0 HB2 SER A 70 -3.103 -1.596 13.148 1.00 43.12 H new ATOM 0 HB3 SER A 70 -3.438 -1.759 11.435 1.00 43.12 H new ATOM 0 HG SER A 70 -2.804 -3.769 12.400 1.00 31.22 H new ATOM 1082 N PHE A 71 -1.656 -0.706 9.423 1.00 75.21 N ATOM 1083 CA PHE A 71 -1.248 -0.970 8.023 1.00 0.14 C ATOM 1084 C PHE A 71 0.034 -0.183 7.674 1.00 64.31 C ATOM 1085 O PHE A 71 0.984 -0.738 7.107 1.00 42.11 O ATOM 1086 CB PHE A 71 -2.432 -0.581 7.086 1.00 74.11 C ATOM 1087 CG PHE A 71 -2.142 -0.597 5.583 1.00 11.54 C ATOM 1088 CD1 PHE A 71 -2.008 -1.797 4.889 1.00 50.31 C ATOM 1089 CD2 PHE A 71 -2.035 0.596 4.858 1.00 12.42 C ATOM 1090 CE1 PHE A 71 -1.773 -1.808 3.525 1.00 43.34 C ATOM 1091 CE2 PHE A 71 -1.795 0.582 3.496 1.00 2.40 C ATOM 1092 CZ PHE A 71 -1.667 -0.621 2.830 1.00 33.13 C ATOM 0 H PHE A 71 -2.565 -0.248 9.495 1.00 75.21 H new ATOM 0 HA PHE A 71 -1.017 -2.027 7.890 1.00 0.14 H new ATOM 0 HB2 PHE A 71 -3.261 -1.261 7.282 1.00 74.11 H new ATOM 0 HB3 PHE A 71 -2.770 0.419 7.359 1.00 74.11 H new ATOM 0 HD1 PHE A 71 -2.089 -2.732 5.423 1.00 50.31 H new ATOM 0 HD2 PHE A 71 -2.141 1.541 5.370 1.00 12.42 H new ATOM 0 HE1 PHE A 71 -1.672 -2.748 3.003 1.00 43.34 H new ATOM 0 HE2 PHE A 71 -1.708 1.512 2.953 1.00 2.40 H new ATOM 0 HZ PHE A 71 -1.484 -0.633 1.766 1.00 33.13 H new ATOM 1102 N VAL A 72 0.033 1.109 8.038 1.00 10.54 N ATOM 1103 CA VAL A 72 1.186 2.007 7.899 1.00 63.22 C ATOM 1104 C VAL A 72 2.383 1.498 8.724 1.00 31.44 C ATOM 1105 O VAL A 72 3.498 1.440 8.208 1.00 31.31 O ATOM 1106 CB VAL A 72 0.798 3.478 8.324 1.00 21.20 C ATOM 1107 CG1 VAL A 72 2.019 4.431 8.322 1.00 15.32 C ATOM 1108 CG2 VAL A 72 -0.333 4.019 7.414 1.00 53.34 C ATOM 0 H VAL A 72 -0.784 1.565 8.444 1.00 10.54 H new ATOM 0 HA VAL A 72 1.482 2.020 6.850 1.00 63.22 H new ATOM 0 HB VAL A 72 0.434 3.438 9.351 1.00 21.20 H new ATOM 0 HG11 VAL A 72 1.701 5.430 8.621 1.00 15.32 H new ATOM 0 HG12 VAL A 72 2.768 4.064 9.023 1.00 15.32 H new ATOM 0 HG13 VAL A 72 2.448 4.471 7.321 1.00 15.32 H new ATOM 0 HG21 VAL A 72 -0.591 5.034 7.718 1.00 53.34 H new ATOM 0 HG22 VAL A 72 0.005 4.025 6.378 1.00 53.34 H new ATOM 0 HG23 VAL A 72 -1.211 3.379 7.505 1.00 53.34 H new ATOM 1118 N ARG A 73 2.126 1.085 9.991 1.00 71.31 N ATOM 1119 CA ARG A 73 3.182 0.589 10.902 1.00 62.44 C ATOM 1120 C ARG A 73 3.846 -0.689 10.348 1.00 1.51 C ATOM 1121 O ARG A 73 5.051 -0.899 10.545 1.00 73.34 O ATOM 1122 CB ARG A 73 2.625 0.352 12.334 1.00 52.45 C ATOM 1123 CG ARG A 73 3.706 0.033 13.393 1.00 34.44 C ATOM 1124 CD ARG A 73 3.164 0.046 14.835 1.00 41.34 C ATOM 1125 NE ARG A 73 2.171 -1.012 15.080 1.00 20.44 N ATOM 1126 CZ ARG A 73 1.412 -1.129 16.188 1.00 62.14 C ATOM 1127 NH1 ARG A 73 1.509 -0.253 17.190 1.00 42.14 N ATOM 1128 NH2 ARG A 73 0.551 -2.135 16.290 1.00 64.22 N ATOM 0 H ARG A 73 1.193 1.087 10.403 1.00 71.31 H new ATOM 0 HA ARG A 73 3.949 1.361 10.966 1.00 62.44 H new ATOM 0 HB2 ARG A 73 2.075 1.239 12.649 1.00 52.45 H new ATOM 0 HB3 ARG A 73 1.911 -0.471 12.302 1.00 52.45 H new ATOM 0 HG2 ARG A 73 4.135 -0.947 13.182 1.00 34.44 H new ATOM 0 HG3 ARG A 73 4.514 0.760 13.309 1.00 34.44 H new ATOM 0 HD2 ARG A 73 3.994 -0.073 15.531 1.00 41.34 H new ATOM 0 HD3 ARG A 73 2.712 1.017 15.040 1.00 41.34 H new ATOM 0 HE ARG A 73 2.047 -1.715 14.351 1.00 20.44 H new ATOM 0 HH11 ARG A 73 2.167 0.524 17.126 1.00 42.14 H new ATOM 0 HH12 ARG A 73 0.925 -0.360 18.019 1.00 42.14 H new ATOM 0 HH21 ARG A 73 0.467 -2.813 15.533 1.00 64.22 H new ATOM 0 HH22 ARG A 73 -0.026 -2.229 17.126 1.00 64.22 H new ATOM 1142 N GLN A 74 3.054 -1.520 9.625 1.00 4.00 N ATOM 1143 CA GLN A 74 3.587 -2.690 8.909 1.00 34.30 C ATOM 1144 C GLN A 74 4.570 -2.235 7.825 1.00 5.23 C ATOM 1145 O GLN A 74 5.705 -2.697 7.796 1.00 21.45 O ATOM 1146 CB GLN A 74 2.460 -3.543 8.261 1.00 34.23 C ATOM 1147 CG GLN A 74 1.431 -4.144 9.235 1.00 24.12 C ATOM 1148 CD GLN A 74 2.055 -4.983 10.346 1.00 63.55 C ATOM 1149 OE1 GLN A 74 2.265 -6.185 10.194 1.00 74.30 O ATOM 1150 NE2 GLN A 74 2.352 -4.356 11.474 1.00 4.40 N ATOM 0 H GLN A 74 2.046 -1.396 9.527 1.00 4.00 H new ATOM 0 HA GLN A 74 4.099 -3.314 9.641 1.00 34.30 H new ATOM 0 HB2 GLN A 74 1.929 -2.922 7.539 1.00 34.23 H new ATOM 0 HB3 GLN A 74 2.922 -4.357 7.702 1.00 34.23 H new ATOM 0 HG2 GLN A 74 0.853 -3.336 9.683 1.00 24.12 H new ATOM 0 HG3 GLN A 74 0.731 -4.763 8.674 1.00 24.12 H new ATOM 0 HE21 GLN A 74 2.165 -3.358 11.567 1.00 4.40 H new ATOM 0 HE22 GLN A 74 2.768 -4.871 12.250 1.00 4.40 H new ATOM 1159 N LEU A 75 4.123 -1.288 6.977 1.00 50.11 N ATOM 1160 CA LEU A 75 4.908 -0.763 5.843 1.00 5.32 C ATOM 1161 C LEU A 75 6.236 -0.139 6.308 1.00 72.11 C ATOM 1162 O LEU A 75 7.256 -0.306 5.649 1.00 51.04 O ATOM 1163 CB LEU A 75 4.054 0.263 5.051 1.00 65.33 C ATOM 1164 CG LEU A 75 2.846 -0.348 4.270 1.00 32.00 C ATOM 1165 CD1 LEU A 75 1.837 0.726 3.844 1.00 35.32 C ATOM 1166 CD2 LEU A 75 3.337 -1.162 3.056 1.00 62.22 C ATOM 0 H LEU A 75 3.200 -0.863 7.061 1.00 50.11 H new ATOM 0 HA LEU A 75 5.165 -1.595 5.187 1.00 5.32 H new ATOM 0 HB2 LEU A 75 3.676 1.013 5.746 1.00 65.33 H new ATOM 0 HB3 LEU A 75 4.700 0.782 4.343 1.00 65.33 H new ATOM 0 HG LEU A 75 2.326 -1.024 4.949 1.00 32.00 H new ATOM 0 HD11 LEU A 75 1.014 0.258 3.304 1.00 35.32 H new ATOM 0 HD12 LEU A 75 1.450 1.233 4.728 1.00 35.32 H new ATOM 0 HD13 LEU A 75 2.329 1.451 3.196 1.00 35.32 H new ATOM 0 HD21 LEU A 75 2.480 -1.578 2.527 1.00 62.22 H new ATOM 0 HD22 LEU A 75 3.897 -0.512 2.384 1.00 62.22 H new ATOM 0 HD23 LEU A 75 3.981 -1.972 3.398 1.00 62.22 H new ATOM 1178 N ASN A 76 6.202 0.552 7.462 1.00 73.12 N ATOM 1179 CA ASN A 76 7.407 1.127 8.107 1.00 72.15 C ATOM 1180 C ASN A 76 8.439 0.028 8.434 1.00 11.43 C ATOM 1181 O ASN A 76 9.644 0.202 8.204 1.00 62.21 O ATOM 1182 CB ASN A 76 7.042 1.881 9.408 1.00 64.44 C ATOM 1183 CG ASN A 76 5.992 2.974 9.229 1.00 32.05 C ATOM 1184 OD1 ASN A 76 5.235 3.233 10.275 1.00 13.14 O flip ATOM 1185 ND2 ASN A 76 5.855 3.573 8.163 1.00 72.11 N flip ATOM 0 H ASN A 76 5.340 0.730 7.978 1.00 73.12 H new ATOM 0 HA ASN A 76 7.843 1.831 7.398 1.00 72.15 H new ATOM 0 HB2 ASN A 76 6.678 1.161 10.141 1.00 64.44 H new ATOM 0 HB3 ASN A 76 7.947 2.327 9.821 1.00 64.44 H new ATOM 0 HD21 ASN A 76 6.458 3.349 7.371 1.00 72.11 H new ATOM 0 HD22 ASN A 76 5.139 4.294 8.071 1.00 72.11 H new ATOM 1192 N MET A 77 7.939 -1.103 8.976 1.00 54.34 N ATOM 1193 CA MET A 77 8.768 -2.293 9.258 1.00 64.03 C ATOM 1194 C MET A 77 9.258 -2.929 7.943 1.00 71.14 C ATOM 1195 O MET A 77 10.394 -3.397 7.862 1.00 70.44 O ATOM 1196 CB MET A 77 7.991 -3.347 10.091 1.00 2.24 C ATOM 1197 CG MET A 77 7.540 -2.884 11.483 1.00 44.25 C ATOM 1198 SD MET A 77 6.866 -4.234 12.487 1.00 24.42 S ATOM 1199 CE MET A 77 5.675 -4.998 11.376 1.00 2.12 C ATOM 0 H MET A 77 6.957 -1.216 9.228 1.00 54.34 H new ATOM 0 HA MET A 77 9.626 -1.963 9.844 1.00 64.03 H new ATOM 0 HB2 MET A 77 7.111 -3.655 9.526 1.00 2.24 H new ATOM 0 HB3 MET A 77 8.620 -4.230 10.206 1.00 2.24 H new ATOM 0 HG2 MET A 77 8.387 -2.437 12.004 1.00 44.25 H new ATOM 0 HG3 MET A 77 6.785 -2.105 11.375 1.00 44.25 H new ATOM 0 HE1 MET A 77 4.811 -5.338 11.947 1.00 2.12 H new ATOM 0 HE2 MET A 77 5.354 -4.270 10.631 1.00 2.12 H new ATOM 0 HE3 MET A 77 6.138 -5.849 10.876 1.00 2.12 H new ATOM 1209 N TYR A 78 8.394 -2.881 6.903 1.00 22.34 N ATOM 1210 CA TYR A 78 8.690 -3.446 5.568 1.00 24.10 C ATOM 1211 C TYR A 78 9.585 -2.478 4.741 1.00 53.33 C ATOM 1212 O TYR A 78 9.789 -2.685 3.539 1.00 45.23 O ATOM 1213 CB TYR A 78 7.370 -3.797 4.800 1.00 31.31 C ATOM 1214 CG TYR A 78 6.660 -5.113 5.216 1.00 11.11 C ATOM 1215 CD1 TYR A 78 7.128 -6.356 4.779 1.00 63.15 C ATOM 1216 CD2 TYR A 78 5.498 -5.109 5.994 1.00 15.24 C ATOM 1217 CE1 TYR A 78 6.471 -7.535 5.117 1.00 34.32 C ATOM 1218 CE2 TYR A 78 4.848 -6.282 6.338 1.00 42.21 C ATOM 1219 CZ TYR A 78 5.328 -7.490 5.892 1.00 22.44 C ATOM 1220 OH TYR A 78 4.669 -8.657 6.234 1.00 32.42 O ATOM 0 H TYR A 78 7.472 -2.449 6.967 1.00 22.34 H new ATOM 0 HA TYR A 78 9.246 -4.373 5.710 1.00 24.10 H new ATOM 0 HB2 TYR A 78 6.668 -2.973 4.932 1.00 31.31 H new ATOM 0 HB3 TYR A 78 7.598 -3.853 3.736 1.00 31.31 H new ATOM 0 HD1 TYR A 78 8.017 -6.402 4.167 1.00 63.15 H new ATOM 0 HD2 TYR A 78 5.097 -4.166 6.335 1.00 15.24 H new ATOM 0 HE1 TYR A 78 6.854 -8.485 4.774 1.00 34.32 H new ATOM 0 HE2 TYR A 78 3.964 -6.248 6.957 1.00 42.21 H new ATOM 0 HH TYR A 78 3.886 -8.442 6.783 1.00 32.42 H new ATOM 1230 N GLY A 79 10.092 -1.409 5.394 1.00 13.24 N ATOM 1231 CA GLY A 79 11.122 -0.536 4.817 1.00 51.51 C ATOM 1232 C GLY A 79 10.583 0.563 3.908 1.00 42.52 C ATOM 1233 O GLY A 79 11.372 1.298 3.295 1.00 33.34 O ATOM 0 H GLY A 79 9.797 -1.133 6.331 1.00 13.24 H new ATOM 0 HA2 GLY A 79 11.686 -0.075 5.628 1.00 51.51 H new ATOM 0 HA3 GLY A 79 11.823 -1.148 4.249 1.00 51.51 H new ATOM 1237 N PHE A 80 9.247 0.681 3.811 1.00 13.51 N ATOM 1238 CA PHE A 80 8.586 1.699 2.970 1.00 70.50 C ATOM 1239 C PHE A 80 8.719 3.067 3.648 1.00 74.12 C ATOM 1240 O PHE A 80 8.602 3.166 4.872 1.00 10.34 O ATOM 1241 CB PHE A 80 7.086 1.366 2.751 1.00 61.31 C ATOM 1242 CG PHE A 80 6.806 0.147 1.869 1.00 71.42 C ATOM 1243 CD1 PHE A 80 7.021 -1.148 2.337 1.00 52.52 C ATOM 1244 CD2 PHE A 80 6.295 0.300 0.580 1.00 0.54 C ATOM 1245 CE1 PHE A 80 6.740 -2.247 1.545 1.00 15.22 C ATOM 1246 CE2 PHE A 80 6.021 -0.800 -0.208 1.00 0.44 C ATOM 1247 CZ PHE A 80 6.241 -2.073 0.276 1.00 12.31 C ATOM 0 H PHE A 80 8.595 0.076 4.311 1.00 13.51 H new ATOM 0 HA PHE A 80 9.070 1.712 1.994 1.00 70.50 H new ATOM 0 HB2 PHE A 80 6.622 1.204 3.724 1.00 61.31 H new ATOM 0 HB3 PHE A 80 6.600 2.234 2.306 1.00 61.31 H new ATOM 0 HD1 PHE A 80 7.413 -1.296 3.333 1.00 52.52 H new ATOM 0 HD2 PHE A 80 6.111 1.292 0.194 1.00 0.54 H new ATOM 0 HE1 PHE A 80 6.913 -3.243 1.924 1.00 15.22 H new ATOM 0 HE2 PHE A 80 5.633 -0.663 -1.207 1.00 0.44 H new ATOM 0 HZ PHE A 80 6.021 -2.932 -0.341 1.00 12.31 H new ATOM 1257 N ARG A 81 8.945 4.115 2.850 1.00 41.44 N ATOM 1258 CA ARG A 81 9.227 5.464 3.367 1.00 72.44 C ATOM 1259 C ARG A 81 7.970 6.338 3.273 1.00 61.53 C ATOM 1260 O ARG A 81 7.343 6.412 2.211 1.00 30.01 O ATOM 1261 CB ARG A 81 10.387 6.086 2.558 1.00 24.13 C ATOM 1262 CG ARG A 81 10.908 7.446 3.088 1.00 41.21 C ATOM 1263 CD ARG A 81 12.096 7.963 2.259 1.00 14.40 C ATOM 1264 NE ARG A 81 13.120 6.915 2.081 1.00 15.40 N ATOM 1265 CZ ARG A 81 14.067 6.900 1.134 1.00 61.14 C ATOM 1266 NH1 ARG A 81 14.178 7.891 0.245 1.00 63.51 N ATOM 1267 NH2 ARG A 81 14.890 5.862 1.063 1.00 51.31 N ATOM 0 H ARG A 81 8.938 4.056 1.832 1.00 41.44 H new ATOM 0 HA ARG A 81 9.518 5.401 4.415 1.00 72.44 H new ATOM 0 HB2 ARG A 81 11.217 5.379 2.541 1.00 24.13 H new ATOM 0 HB3 ARG A 81 10.060 6.218 1.527 1.00 24.13 H new ATOM 0 HG2 ARG A 81 10.101 8.179 3.064 1.00 41.21 H new ATOM 0 HG3 ARG A 81 11.211 7.339 4.130 1.00 41.21 H new ATOM 0 HD2 ARG A 81 11.743 8.300 1.284 1.00 14.40 H new ATOM 0 HD3 ARG A 81 12.539 8.827 2.754 1.00 14.40 H new ATOM 0 HE ARG A 81 13.105 6.134 2.737 1.00 15.40 H new ATOM 0 HH11 ARG A 81 13.533 8.681 0.279 1.00 63.51 H new ATOM 0 HH12 ARG A 81 14.907 7.858 -0.467 1.00 63.51 H new ATOM 0 HH21 ARG A 81 14.796 5.091 1.724 1.00 51.31 H new ATOM 0 HH22 ARG A 81 15.617 5.835 0.348 1.00 51.31 H new ATOM 1281 N LYS A 82 7.618 6.980 4.398 1.00 62.45 N ATOM 1282 CA LYS A 82 6.478 7.898 4.520 1.00 33.12 C ATOM 1283 C LYS A 82 6.786 9.218 3.780 1.00 63.42 C ATOM 1284 O LYS A 82 7.687 9.961 4.188 1.00 52.13 O ATOM 1285 CB LYS A 82 6.245 8.172 6.042 1.00 54.23 C ATOM 1286 CG LYS A 82 5.071 9.115 6.393 1.00 2.21 C ATOM 1287 CD LYS A 82 3.693 8.466 6.164 1.00 54.10 C ATOM 1288 CE LYS A 82 2.525 9.427 6.447 1.00 40.04 C ATOM 1289 NZ LYS A 82 2.477 9.873 7.866 1.00 11.14 N ATOM 0 H LYS A 82 8.134 6.871 5.271 1.00 62.45 H new ATOM 0 HA LYS A 82 5.584 7.460 4.076 1.00 33.12 H new ATOM 0 HB2 LYS A 82 6.079 7.217 6.541 1.00 54.23 H new ATOM 0 HB3 LYS A 82 7.160 8.594 6.458 1.00 54.23 H new ATOM 0 HG2 LYS A 82 5.155 9.419 7.436 1.00 2.21 H new ATOM 0 HG3 LYS A 82 5.146 10.020 5.790 1.00 2.21 H new ATOM 0 HD2 LYS A 82 3.628 8.117 5.134 1.00 54.10 H new ATOM 0 HD3 LYS A 82 3.599 7.589 6.804 1.00 54.10 H new ATOM 0 HE2 LYS A 82 2.613 10.299 5.799 1.00 40.04 H new ATOM 0 HE3 LYS A 82 1.586 8.935 6.193 1.00 40.04 H new ATOM 0 HZ1 LYS A 82 1.643 10.477 8.012 1.00 11.14 H new ATOM 0 HZ2 LYS A 82 2.416 9.043 8.489 1.00 11.14 H new ATOM 0 HZ3 LYS A 82 3.338 10.412 8.090 1.00 11.14 H new ATOM 1303 N VAL A 83 6.076 9.479 2.668 1.00 41.11 N ATOM 1304 CA VAL A 83 6.132 10.770 1.948 1.00 45.02 C ATOM 1305 C VAL A 83 4.694 11.288 1.805 1.00 40.25 C ATOM 1306 O VAL A 83 3.797 10.510 1.513 1.00 60.33 O ATOM 1307 CB VAL A 83 6.785 10.640 0.510 1.00 14.14 C ATOM 1308 CG1 VAL A 83 6.922 12.028 -0.162 1.00 3.30 C ATOM 1309 CG2 VAL A 83 8.150 9.904 0.566 1.00 65.11 C ATOM 0 H VAL A 83 5.445 8.801 2.240 1.00 41.11 H new ATOM 0 HA VAL A 83 6.757 11.456 2.519 1.00 45.02 H new ATOM 0 HB VAL A 83 6.117 10.034 -0.102 1.00 14.14 H new ATOM 0 HG11 VAL A 83 7.373 11.912 -1.148 1.00 3.30 H new ATOM 0 HG12 VAL A 83 5.936 12.481 -0.265 1.00 3.30 H new ATOM 0 HG13 VAL A 83 7.554 12.669 0.453 1.00 3.30 H new ATOM 0 HG21 VAL A 83 8.567 9.834 -0.439 1.00 65.11 H new ATOM 0 HG22 VAL A 83 8.836 10.458 1.206 1.00 65.11 H new ATOM 0 HG23 VAL A 83 8.007 8.902 0.970 1.00 65.11 H new ATOM 1319 N VAL A 84 4.472 12.585 2.049 1.00 34.24 N ATOM 1320 CA VAL A 84 3.145 13.226 1.901 1.00 2.51 C ATOM 1321 C VAL A 84 3.233 14.339 0.846 1.00 74.14 C ATOM 1322 O VAL A 84 4.233 15.064 0.790 1.00 63.35 O ATOM 1323 CB VAL A 84 2.651 13.803 3.287 1.00 71.00 C ATOM 1324 CG1 VAL A 84 1.304 14.554 3.163 1.00 61.14 C ATOM 1325 CG2 VAL A 84 2.562 12.675 4.345 1.00 4.00 C ATOM 0 H VAL A 84 5.203 13.227 2.355 1.00 34.24 H new ATOM 0 HA VAL A 84 2.419 12.482 1.572 1.00 2.51 H new ATOM 0 HB VAL A 84 3.390 14.533 3.616 1.00 71.00 H new ATOM 0 HG11 VAL A 84 1.007 14.932 4.141 1.00 61.14 H new ATOM 0 HG12 VAL A 84 1.415 15.388 2.470 1.00 61.14 H new ATOM 0 HG13 VAL A 84 0.540 13.872 2.790 1.00 61.14 H new ATOM 0 HG21 VAL A 84 2.220 13.091 5.293 1.00 4.00 H new ATOM 0 HG22 VAL A 84 1.858 11.914 4.008 1.00 4.00 H new ATOM 0 HG23 VAL A 84 3.545 12.224 4.480 1.00 4.00 H new ATOM 1335 N HIS A 85 2.195 14.455 -0.010 1.00 11.11 N ATOM 1336 CA HIS A 85 2.160 15.458 -1.098 1.00 43.25 C ATOM 1337 C HIS A 85 1.000 16.447 -0.889 1.00 21.15 C ATOM 1338 O HIS A 85 1.182 17.658 -1.055 1.00 74.54 O ATOM 1339 CB HIS A 85 2.079 14.752 -2.475 1.00 23.42 C ATOM 1340 CG HIS A 85 3.291 13.892 -2.763 1.00 44.11 C ATOM 1341 ND1 HIS A 85 3.319 12.526 -2.560 1.00 61.11 N ATOM 1342 CD2 HIS A 85 4.530 14.219 -3.211 1.00 31.11 C ATOM 1343 CE1 HIS A 85 4.511 12.062 -2.869 1.00 51.41 C ATOM 1344 NE2 HIS A 85 5.262 13.062 -3.264 1.00 14.14 N ATOM 0 H HIS A 85 1.365 13.863 0.032 1.00 11.11 H new ATOM 0 HA HIS A 85 3.083 16.037 -1.077 1.00 43.25 H new ATOM 0 HB2 HIS A 85 1.183 14.133 -2.509 1.00 23.42 H new ATOM 0 HB3 HIS A 85 1.977 15.503 -3.258 1.00 23.42 H new ATOM 0 HD1 HIS A 85 2.537 11.964 -2.223 1.00 61.11 H new ATOM 0 HD2 HIS A 85 4.875 15.208 -3.476 1.00 31.11 H new ATOM 0 HE1 HIS A 85 4.820 11.029 -2.808 1.00 51.41 H new ATOM 1504 N ARG A 96 -8.071 15.380 0.697 1.00 63.30 N ATOM 1505 CA ARG A 96 -7.782 13.942 0.808 1.00 51.43 C ATOM 1506 C ARG A 96 -6.290 13.732 1.128 1.00 21.04 C ATOM 1507 O ARG A 96 -5.436 13.889 0.252 1.00 13.53 O ATOM 1508 CB ARG A 96 -8.198 13.187 -0.495 1.00 61.20 C ATOM 1509 CG ARG A 96 -7.639 13.792 -1.795 1.00 63.53 C ATOM 1510 CD ARG A 96 -7.953 12.959 -3.043 1.00 11.44 C ATOM 1511 NE ARG A 96 -9.395 12.896 -3.359 1.00 2.12 N ATOM 1512 CZ ARG A 96 -9.940 13.150 -4.569 1.00 62.31 C ATOM 1513 NH1 ARG A 96 -9.175 13.489 -5.615 1.00 53.35 N ATOM 1514 NH2 ARG A 96 -11.251 13.048 -4.727 1.00 74.21 N ATOM 0 HA ARG A 96 -8.371 13.525 1.625 1.00 51.43 H new ATOM 0 HB2 ARG A 96 -7.866 12.151 -0.420 1.00 61.20 H new ATOM 0 HB3 ARG A 96 -9.286 13.170 -0.557 1.00 61.20 H new ATOM 0 HG2 ARG A 96 -8.048 14.794 -1.925 1.00 63.53 H new ATOM 0 HG3 ARG A 96 -6.558 13.898 -1.701 1.00 63.53 H new ATOM 0 HD2 ARG A 96 -7.420 13.380 -3.895 1.00 11.44 H new ATOM 0 HD3 ARG A 96 -7.575 11.947 -2.899 1.00 11.44 H new ATOM 0 HE ARG A 96 -10.030 12.640 -2.603 1.00 2.12 H new ATOM 0 HH11 ARG A 96 -8.163 13.559 -5.506 1.00 53.35 H new ATOM 0 HH12 ARG A 96 -9.604 13.677 -6.521 1.00 53.35 H new ATOM 0 HH21 ARG A 96 -11.840 12.780 -3.939 1.00 74.21 H new ATOM 0 HH22 ARG A 96 -11.671 13.238 -5.637 1.00 74.21 H new ATOM 1528 N ASP A 97 -5.995 13.472 2.419 1.00 51.11 N ATOM 1529 CA ASP A 97 -4.648 13.070 2.900 1.00 61.02 C ATOM 1530 C ASP A 97 -3.984 12.078 1.926 1.00 64.00 C ATOM 1531 O ASP A 97 -4.575 11.038 1.597 1.00 13.13 O ATOM 1532 CB ASP A 97 -4.720 12.414 4.309 1.00 31.01 C ATOM 1533 CG ASP A 97 -5.219 13.354 5.414 1.00 0.50 C ATOM 1534 OD1 ASP A 97 -6.446 13.577 5.510 1.00 74.11 O ATOM 1535 OD2 ASP A 97 -4.394 13.898 6.188 1.00 10.40 O ATOM 0 H ASP A 97 -6.687 13.534 3.166 1.00 51.11 H new ATOM 0 HA ASP A 97 -4.051 13.980 2.958 1.00 61.02 H new ATOM 0 HB2 ASP A 97 -5.378 11.546 4.261 1.00 31.01 H new ATOM 0 HB3 ASP A 97 -3.729 12.048 4.578 1.00 31.01 H new ATOM 1540 N ASP A 98 -2.786 12.429 1.428 1.00 24.34 N ATOM 1541 CA ASP A 98 -2.011 11.566 0.519 1.00 73.13 C ATOM 1542 C ASP A 98 -0.757 11.086 1.227 1.00 1.23 C ATOM 1543 O ASP A 98 -0.077 11.872 1.891 1.00 12.34 O ATOM 1544 CB ASP A 98 -1.620 12.288 -0.797 1.00 15.01 C ATOM 1545 CG ASP A 98 -0.655 11.449 -1.671 1.00 31.05 C ATOM 1546 OD1 ASP A 98 -1.084 10.415 -2.223 1.00 11.32 O ATOM 1547 OD2 ASP A 98 0.546 11.798 -1.780 1.00 5.54 O ATOM 0 H ASP A 98 -2.329 13.315 1.643 1.00 24.34 H new ATOM 0 HA ASP A 98 -2.645 10.722 0.249 1.00 73.13 H new ATOM 0 HB2 ASP A 98 -2.522 12.510 -1.368 1.00 15.01 H new ATOM 0 HB3 ASP A 98 -1.151 13.243 -0.558 1.00 15.01 H new ATOM 1552 N THR A 99 -0.465 9.795 1.098 1.00 52.13 N ATOM 1553 CA THR A 99 0.827 9.233 1.465 1.00 12.34 C ATOM 1554 C THR A 99 1.304 8.308 0.347 1.00 42.13 C ATOM 1555 O THR A 99 0.583 7.401 -0.067 1.00 3.54 O ATOM 1556 CB THR A 99 0.796 8.440 2.808 1.00 11.34 C ATOM 1557 OG1 THR A 99 0.458 9.324 3.893 1.00 64.02 O ATOM 1558 CG2 THR A 99 2.152 7.767 3.094 1.00 11.35 C ATOM 0 H THR A 99 -1.124 9.107 0.733 1.00 52.13 H new ATOM 0 HA THR A 99 1.511 10.070 1.607 1.00 12.34 H new ATOM 0 HB THR A 99 0.039 7.660 2.719 1.00 11.34 H new ATOM 0 HG1 THR A 99 0.324 10.231 3.546 1.00 64.02 H new ATOM 0 HG21 THR A 99 2.096 7.223 4.037 1.00 11.35 H new ATOM 0 HG22 THR A 99 2.391 7.073 2.288 1.00 11.35 H new ATOM 0 HG23 THR A 99 2.929 8.528 3.160 1.00 11.35 H new ATOM 1566 N GLU A 100 2.536 8.532 -0.101 1.00 41.31 N ATOM 1567 CA GLU A 100 3.233 7.649 -1.013 1.00 22.45 C ATOM 1568 C GLU A 100 4.278 6.867 -0.210 1.00 62.24 C ATOM 1569 O GLU A 100 5.177 7.464 0.403 1.00 52.41 O ATOM 1570 CB GLU A 100 3.879 8.434 -2.174 1.00 64.32 C ATOM 1571 CG GLU A 100 4.738 7.561 -3.120 1.00 23.04 C ATOM 1572 CD GLU A 100 5.136 8.271 -4.414 1.00 41.54 C ATOM 1573 OE1 GLU A 100 5.711 9.372 -4.346 1.00 74.43 O ATOM 1574 OE2 GLU A 100 4.875 7.733 -5.512 1.00 54.24 O ATOM 0 H GLU A 100 3.083 9.350 0.169 1.00 41.31 H new ATOM 0 HA GLU A 100 2.527 6.956 -1.471 1.00 22.45 H new ATOM 0 HB2 GLU A 100 3.093 8.917 -2.755 1.00 64.32 H new ATOM 0 HB3 GLU A 100 4.503 9.227 -1.761 1.00 64.32 H new ATOM 0 HG2 GLU A 100 5.640 7.249 -2.594 1.00 23.04 H new ATOM 0 HG3 GLU A 100 4.185 6.655 -3.368 1.00 23.04 H new ATOM 1581 N PHE A 101 4.112 5.538 -0.167 1.00 4.42 N ATOM 1582 CA PHE A 101 5.081 4.623 0.434 1.00 32.42 C ATOM 1583 C PHE A 101 5.975 4.092 -0.687 1.00 4.11 C ATOM 1584 O PHE A 101 5.482 3.469 -1.637 1.00 70.34 O ATOM 1585 CB PHE A 101 4.363 3.452 1.147 1.00 75.13 C ATOM 1586 CG PHE A 101 3.529 3.843 2.360 1.00 2.51 C ATOM 1587 CD1 PHE A 101 4.132 4.020 3.607 1.00 20.24 C ATOM 1588 CD2 PHE A 101 2.144 4.007 2.263 1.00 74.21 C ATOM 1589 CE1 PHE A 101 3.376 4.348 4.714 1.00 41.23 C ATOM 1590 CE2 PHE A 101 1.391 4.336 3.372 1.00 21.42 C ATOM 1591 CZ PHE A 101 2.009 4.509 4.594 1.00 22.44 C ATOM 0 H PHE A 101 3.293 5.068 -0.553 1.00 4.42 H new ATOM 0 HA PHE A 101 5.675 5.147 1.183 1.00 32.42 H new ATOM 0 HB2 PHE A 101 3.715 2.952 0.427 1.00 75.13 H new ATOM 0 HB3 PHE A 101 5.112 2.725 1.461 1.00 75.13 H new ATOM 0 HD1 PHE A 101 5.201 3.899 3.706 1.00 20.24 H new ATOM 0 HD2 PHE A 101 1.657 3.875 1.308 1.00 74.21 H new ATOM 0 HE1 PHE A 101 3.853 4.479 5.674 1.00 41.23 H new ATOM 0 HE2 PHE A 101 0.322 4.458 3.284 1.00 21.42 H new ATOM 0 HZ PHE A 101 1.421 4.772 5.461 1.00 22.44 H new ATOM 1601 N GLN A 102 7.285 4.348 -0.579 1.00 44.24 N ATOM 1602 CA GLN A 102 8.261 4.009 -1.627 1.00 71.44 C ATOM 1603 C GLN A 102 9.254 2.960 -1.103 1.00 42.42 C ATOM 1604 O GLN A 102 9.715 3.046 0.048 1.00 11.33 O ATOM 1605 CB GLN A 102 8.967 5.305 -2.124 1.00 34.14 C ATOM 1606 CG GLN A 102 9.877 6.007 -1.096 1.00 64.51 C ATOM 1607 CD GLN A 102 10.326 7.414 -1.517 1.00 22.32 C ATOM 1608 OE1 GLN A 102 9.590 8.151 -2.175 1.00 51.43 O ATOM 1609 NE2 GLN A 102 11.548 7.784 -1.170 1.00 73.23 N ATOM 0 H GLN A 102 7.700 4.796 0.238 1.00 44.24 H new ATOM 0 HA GLN A 102 7.752 3.566 -2.483 1.00 71.44 H new ATOM 0 HB2 GLN A 102 9.565 5.058 -3.001 1.00 34.14 H new ATOM 0 HB3 GLN A 102 8.203 6.012 -2.448 1.00 34.14 H new ATOM 0 HG2 GLN A 102 9.349 6.075 -0.145 1.00 64.51 H new ATOM 0 HG3 GLN A 102 10.760 5.390 -0.927 1.00 64.51 H new ATOM 0 HE21 GLN A 102 12.136 7.154 -0.625 1.00 73.23 H new ATOM 0 HE22 GLN A 102 11.902 8.699 -1.448 1.00 73.23 H new ATOM 1618 N HIS A 103 9.550 1.948 -1.943 1.00 25.42 N ATOM 1619 CA HIS A 103 10.448 0.840 -1.579 1.00 50.52 C ATOM 1620 C HIS A 103 11.042 0.206 -2.859 1.00 72.51 C ATOM 1621 O HIS A 103 10.282 -0.171 -3.750 1.00 43.21 O ATOM 1622 CB HIS A 103 9.688 -0.231 -0.746 1.00 30.24 C ATOM 1623 CG HIS A 103 10.589 -1.219 -0.062 1.00 44.13 C ATOM 1624 ND1 HIS A 103 11.344 -1.084 1.049 1.00 53.14 N flip ATOM 1625 CD2 HIS A 103 10.831 -2.493 -0.523 1.00 44.53 C flip ATOM 1626 CE1 HIS A 103 12.018 -2.253 1.243 1.00 21.13 C flip ATOM 1627 NE2 HIS A 103 11.698 -3.083 0.285 1.00 15.03 N flip ATOM 0 H HIS A 103 9.174 1.878 -2.888 1.00 25.42 H new ATOM 0 HA HIS A 103 11.260 1.233 -0.967 1.00 50.52 H new ATOM 0 HB2 HIS A 103 9.079 0.272 0.005 1.00 30.24 H new ATOM 0 HB3 HIS A 103 9.005 -0.770 -1.402 1.00 30.24 H new ATOM 0 HD2 HIS A 103 10.386 -2.939 -1.401 1.00 44.53 H new ATOM 0 HE1 HIS A 103 12.702 -2.459 2.053 1.00 21.13 H new ATOM 0 HE2 HIS A 103 12.058 -4.031 0.178 1.00 15.03 H new ATOM 1636 N PRO A 104 12.406 0.040 -2.949 1.00 1.32 N ATOM 1637 CA PRO A 104 13.090 -0.442 -4.189 1.00 63.11 C ATOM 1638 C PRO A 104 12.660 -1.864 -4.588 1.00 23.30 C ATOM 1639 O PRO A 104 12.436 -2.143 -5.769 1.00 32.31 O ATOM 1640 CB PRO A 104 14.596 -0.390 -3.810 1.00 64.33 C ATOM 1641 CG PRO A 104 14.612 -0.463 -2.310 1.00 34.21 C ATOM 1642 CD PRO A 104 13.394 0.307 -1.862 1.00 4.20 C ATOM 0 HA PRO A 104 12.841 0.166 -5.059 1.00 63.11 H new ATOM 0 HB2 PRO A 104 15.145 -1.221 -4.253 1.00 64.33 H new ATOM 0 HB3 PRO A 104 15.063 0.528 -4.167 1.00 64.33 H new ATOM 0 HG2 PRO A 104 14.573 -1.497 -1.966 1.00 34.21 H new ATOM 0 HG3 PRO A 104 15.525 -0.026 -1.904 1.00 34.21 H new ATOM 0 HD2 PRO A 104 13.032 -0.039 -0.894 1.00 4.20 H new ATOM 0 HD3 PRO A 104 13.605 1.372 -1.761 1.00 4.20 H new ATOM 1650 N CYS A 105 12.498 -2.738 -3.571 1.00 34.24 N ATOM 1651 CA CYS A 105 12.185 -4.168 -3.772 1.00 73.14 C ATOM 1652 C CYS A 105 10.674 -4.368 -4.018 1.00 60.15 C ATOM 1653 O CYS A 105 10.224 -5.487 -4.273 1.00 31.33 O ATOM 1654 CB CYS A 105 12.660 -4.990 -2.546 1.00 1.01 C ATOM 1655 SG CYS A 105 14.231 -4.425 -1.841 1.00 3.22 S ATOM 0 H CYS A 105 12.581 -2.472 -2.590 1.00 34.24 H new ATOM 0 HA CYS A 105 12.715 -4.523 -4.656 1.00 73.14 H new ATOM 0 HB2 CYS A 105 11.892 -4.948 -1.774 1.00 1.01 H new ATOM 0 HB3 CYS A 105 12.761 -6.035 -2.839 1.00 1.01 H new ATOM 0 HG CYS A 105 14.543 -5.170 -0.823 1.00 3.22 H new ATOM 1661 N PHE A 106 9.899 -3.269 -3.925 1.00 73.21 N ATOM 1662 CA PHE A 106 8.462 -3.275 -4.209 1.00 0.21 C ATOM 1663 C PHE A 106 8.259 -2.749 -5.620 1.00 73.21 C ATOM 1664 O PHE A 106 8.456 -1.557 -5.869 1.00 70.13 O ATOM 1665 CB PHE A 106 7.677 -2.391 -3.200 1.00 62.12 C ATOM 1666 CG PHE A 106 6.169 -2.307 -3.480 1.00 13.52 C ATOM 1667 CD1 PHE A 106 5.311 -3.323 -3.067 1.00 63.12 C ATOM 1668 CD2 PHE A 106 5.615 -1.218 -4.170 1.00 70.44 C ATOM 1669 CE1 PHE A 106 3.956 -3.264 -3.332 1.00 15.44 C ATOM 1670 CE2 PHE A 106 4.261 -1.162 -4.433 1.00 5.43 C ATOM 1671 CZ PHE A 106 3.433 -2.184 -4.013 1.00 74.33 C ATOM 0 H PHE A 106 10.258 -2.355 -3.650 1.00 73.21 H new ATOM 0 HA PHE A 106 8.083 -4.293 -4.114 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.828 -2.785 -2.195 1.00 62.12 H new ATOM 0 HB3 PHE A 106 8.095 -1.384 -3.214 1.00 62.12 H new ATOM 0 HD1 PHE A 106 5.711 -4.171 -2.531 1.00 63.12 H new ATOM 0 HD2 PHE A 106 6.256 -0.414 -4.499 1.00 70.44 H new ATOM 0 HE1 PHE A 106 3.307 -4.063 -3.006 1.00 15.44 H new ATOM 0 HE2 PHE A 106 3.849 -0.319 -4.967 1.00 5.43 H new ATOM 0 HZ PHE A 106 2.374 -2.138 -4.218 1.00 74.33 H new ATOM 1681 N LEU A 107 7.922 -3.643 -6.549 1.00 0.33 N ATOM 1682 CA LEU A 107 7.487 -3.258 -7.892 1.00 24.34 C ATOM 1683 C LEU A 107 6.036 -3.730 -8.096 1.00 31.40 C ATOM 1684 O LEU A 107 5.664 -4.832 -7.659 1.00 50.01 O ATOM 1685 CB LEU A 107 8.445 -3.855 -8.947 1.00 34.21 C ATOM 1686 CG LEU A 107 9.954 -3.473 -8.795 1.00 71.51 C ATOM 1687 CD1 LEU A 107 10.828 -4.225 -9.819 1.00 12.43 C ATOM 1688 CD2 LEU A 107 10.159 -1.948 -8.892 1.00 32.45 C ATOM 0 H LEU A 107 7.942 -4.651 -6.393 1.00 0.33 H new ATOM 0 HA LEU A 107 7.516 -2.175 -8.008 1.00 24.34 H new ATOM 0 HB2 LEU A 107 8.360 -4.941 -8.913 1.00 34.21 H new ATOM 0 HB3 LEU A 107 8.108 -3.540 -9.935 1.00 34.21 H new ATOM 0 HG LEU A 107 10.274 -3.783 -7.800 1.00 71.51 H new ATOM 0 HD11 LEU A 107 11.871 -3.938 -9.687 1.00 12.43 H new ATOM 0 HD12 LEU A 107 10.725 -5.299 -9.666 1.00 12.43 H new ATOM 0 HD13 LEU A 107 10.506 -3.970 -10.829 1.00 12.43 H new ATOM 0 HD21 LEU A 107 11.218 -1.716 -8.782 1.00 32.45 H new ATOM 0 HD22 LEU A 107 9.808 -1.595 -9.862 1.00 32.45 H new ATOM 0 HD23 LEU A 107 9.595 -1.454 -8.100 1.00 32.45 H new ATOM 1700 N ARG A 108 5.251 -2.880 -8.783 1.00 21.33 N ATOM 1701 CA ARG A 108 3.789 -3.025 -8.922 1.00 11.21 C ATOM 1702 C ARG A 108 3.385 -4.344 -9.610 1.00 53.41 C ATOM 1703 O ARG A 108 2.316 -4.892 -9.332 1.00 11.14 O ATOM 1704 CB ARG A 108 3.228 -1.815 -9.723 1.00 52.14 C ATOM 1705 CG ARG A 108 3.737 -1.745 -11.183 1.00 4.40 C ATOM 1706 CD ARG A 108 3.176 -0.559 -11.982 1.00 35.52 C ATOM 1707 NE ARG A 108 3.456 -0.692 -13.420 1.00 22.10 N ATOM 1708 CZ ARG A 108 3.836 0.294 -14.249 1.00 12.31 C ATOM 1709 NH1 ARG A 108 4.013 1.543 -13.811 1.00 54.42 N ATOM 1710 NH2 ARG A 108 4.013 0.023 -15.531 1.00 34.42 N ATOM 0 H ARG A 108 5.620 -2.060 -9.265 1.00 21.33 H new ATOM 0 HA ARG A 108 3.363 -3.049 -7.919 1.00 11.21 H new ATOM 0 HB2 ARG A 108 2.139 -1.868 -9.729 1.00 52.14 H new ATOM 0 HB3 ARG A 108 3.499 -0.893 -9.209 1.00 52.14 H new ATOM 0 HG2 ARG A 108 4.825 -1.683 -11.175 1.00 4.40 H new ATOM 0 HG3 ARG A 108 3.474 -2.671 -11.694 1.00 4.40 H new ATOM 0 HD2 ARG A 108 2.099 -0.491 -11.825 1.00 35.52 H new ATOM 0 HD3 ARG A 108 3.611 0.369 -11.611 1.00 35.52 H new ATOM 0 HE ARG A 108 3.352 -1.622 -13.826 1.00 22.10 H new ATOM 0 HH11 ARG A 108 3.859 1.765 -12.827 1.00 54.42 H new ATOM 0 HH12 ARG A 108 4.302 2.275 -14.460 1.00 54.42 H new ATOM 0 HH21 ARG A 108 3.861 -0.924 -15.878 1.00 34.42 H new ATOM 0 HH22 ARG A 108 4.301 0.761 -16.173 1.00 34.42 H new ATOM 1724 N GLY A 109 4.257 -4.835 -10.508 1.00 22.13 N ATOM 1725 CA GLY A 109 4.011 -6.055 -11.278 1.00 73.04 C ATOM 1726 C GLY A 109 5.185 -7.006 -11.209 1.00 14.45 C ATOM 1727 O GLY A 109 5.541 -7.643 -12.205 1.00 50.25 O ATOM 0 H GLY A 109 5.152 -4.392 -10.717 1.00 22.13 H new ATOM 0 HA2 GLY A 109 3.118 -6.551 -10.898 1.00 73.04 H new ATOM 0 HA3 GLY A 109 3.814 -5.795 -12.318 1.00 73.04 H new ATOM 1731 N GLN A 110 5.794 -7.102 -10.013 1.00 55.23 N ATOM 1732 CA GLN A 110 6.924 -8.008 -9.760 1.00 13.21 C ATOM 1733 C GLN A 110 6.763 -8.600 -8.351 1.00 32.15 C ATOM 1734 O GLN A 110 7.447 -8.200 -7.396 1.00 64.41 O ATOM 1735 CB GLN A 110 8.274 -7.247 -9.917 1.00 14.21 C ATOM 1736 CG GLN A 110 9.490 -8.121 -10.247 1.00 70.10 C ATOM 1737 CD GLN A 110 9.457 -8.666 -11.677 1.00 53.43 C ATOM 1738 OE1 GLN A 110 8.929 -9.747 -11.936 1.00 2.21 O ATOM 1739 NE2 GLN A 110 10.005 -7.907 -12.615 1.00 34.25 N ATOM 0 H GLN A 110 5.516 -6.555 -9.199 1.00 55.23 H new ATOM 0 HA GLN A 110 6.931 -8.820 -10.487 1.00 13.21 H new ATOM 0 HB2 GLN A 110 8.161 -6.501 -10.703 1.00 14.21 H new ATOM 0 HB3 GLN A 110 8.477 -6.707 -8.992 1.00 14.21 H new ATOM 0 HG2 GLN A 110 10.400 -7.538 -10.106 1.00 70.10 H new ATOM 0 HG3 GLN A 110 9.534 -8.955 -9.546 1.00 70.10 H new ATOM 0 HE21 GLN A 110 10.434 -7.016 -12.364 1.00 34.25 H new ATOM 0 HE22 GLN A 110 9.998 -8.213 -13.588 1.00 34.25 H new ATOM 1748 N GLU A 111 5.808 -9.534 -8.237 1.00 63.20 N ATOM 1749 CA GLU A 111 5.440 -10.167 -6.956 1.00 0.43 C ATOM 1750 C GLU A 111 6.581 -11.021 -6.361 1.00 71.33 C ATOM 1751 O GLU A 111 6.626 -11.235 -5.149 1.00 22.12 O ATOM 1752 CB GLU A 111 4.158 -11.018 -7.132 1.00 44.34 C ATOM 1753 CG GLU A 111 4.271 -12.132 -8.193 1.00 51.22 C ATOM 1754 CD GLU A 111 2.975 -12.934 -8.372 1.00 74.21 C ATOM 1755 OE1 GLU A 111 1.975 -12.360 -8.858 1.00 70.03 O ATOM 1756 OE2 GLU A 111 2.947 -14.135 -8.027 1.00 2.34 O ATOM 0 H GLU A 111 5.266 -9.875 -9.031 1.00 63.20 H new ATOM 0 HA GLU A 111 5.249 -9.364 -6.244 1.00 0.43 H new ATOM 0 HB2 GLU A 111 3.903 -11.471 -6.174 1.00 44.34 H new ATOM 0 HB3 GLU A 111 3.333 -10.358 -7.402 1.00 44.34 H new ATOM 0 HG2 GLU A 111 4.550 -11.687 -9.148 1.00 51.22 H new ATOM 0 HG3 GLU A 111 5.075 -12.812 -7.911 1.00 51.22 H new ATOM 1763 N GLN A 112 7.514 -11.471 -7.218 1.00 71.22 N ATOM 1764 CA GLN A 112 8.642 -12.332 -6.798 1.00 23.43 C ATOM 1765 C GLN A 112 9.691 -11.558 -5.961 1.00 72.44 C ATOM 1766 O GLN A 112 10.533 -12.172 -5.309 1.00 24.32 O ATOM 1767 CB GLN A 112 9.313 -12.976 -8.038 1.00 22.21 C ATOM 1768 CG GLN A 112 10.041 -11.983 -8.979 1.00 33.15 C ATOM 1769 CD GLN A 112 10.645 -12.644 -10.226 1.00 75.24 C ATOM 1770 OE1 GLN A 112 11.022 -13.819 -10.215 1.00 34.22 O ATOM 1771 NE2 GLN A 112 10.780 -11.886 -11.302 1.00 71.44 N ATOM 0 H GLN A 112 7.511 -11.252 -8.214 1.00 71.22 H new ATOM 0 HA GLN A 112 8.233 -13.115 -6.159 1.00 23.43 H new ATOM 0 HB2 GLN A 112 10.030 -13.723 -7.697 1.00 22.21 H new ATOM 0 HB3 GLN A 112 8.551 -13.504 -8.611 1.00 22.21 H new ATOM 0 HG2 GLN A 112 9.338 -11.211 -9.292 1.00 33.15 H new ATOM 0 HG3 GLN A 112 10.835 -11.484 -8.423 1.00 33.15 H new ATOM 0 HE21 GLN A 112 10.461 -10.917 -11.287 1.00 71.44 H new ATOM 0 HE22 GLN A 112 11.203 -12.270 -12.147 1.00 71.44 H new ATOM 1780 N LEU A 113 9.658 -10.207 -6.016 1.00 73.41 N ATOM 1781 CA LEU A 113 10.585 -9.357 -5.234 1.00 31.12 C ATOM 1782 C LEU A 113 9.981 -8.933 -3.884 1.00 23.51 C ATOM 1783 O LEU A 113 10.684 -8.348 -3.049 1.00 51.42 O ATOM 1784 CB LEU A 113 11.047 -8.126 -6.065 1.00 45.44 C ATOM 1785 CG LEU A 113 11.925 -8.448 -7.323 1.00 51.21 C ATOM 1786 CD1 LEU A 113 12.438 -7.156 -7.997 1.00 34.33 C ATOM 1787 CD2 LEU A 113 13.089 -9.403 -6.970 1.00 41.22 C ATOM 0 H LEU A 113 9.000 -9.683 -6.593 1.00 73.41 H new ATOM 0 HA LEU A 113 11.465 -9.959 -5.008 1.00 31.12 H new ATOM 0 HB2 LEU A 113 10.163 -7.579 -6.392 1.00 45.44 H new ATOM 0 HB3 LEU A 113 11.611 -7.460 -5.412 1.00 45.44 H new ATOM 0 HG LEU A 113 11.289 -8.962 -8.044 1.00 51.21 H new ATOM 0 HD11 LEU A 113 13.043 -7.415 -8.866 1.00 34.33 H new ATOM 0 HD12 LEU A 113 11.590 -6.549 -8.313 1.00 34.33 H new ATOM 0 HD13 LEU A 113 13.043 -6.591 -7.288 1.00 34.33 H new ATOM 0 HD21 LEU A 113 13.678 -9.605 -7.865 1.00 41.22 H new ATOM 0 HD22 LEU A 113 13.724 -8.939 -6.215 1.00 41.22 H new ATOM 0 HD23 LEU A 113 12.687 -10.338 -6.581 1.00 41.22 H new ATOM 1799 N LEU A 114 8.689 -9.247 -3.665 1.00 10.35 N ATOM 1800 CA LEU A 114 7.999 -8.945 -2.389 1.00 22.44 C ATOM 1801 C LEU A 114 8.505 -9.849 -1.250 1.00 12.51 C ATOM 1802 O LEU A 114 8.491 -9.458 -0.084 1.00 11.32 O ATOM 1803 CB LEU A 114 6.473 -9.088 -2.543 1.00 61.34 C ATOM 1804 CG LEU A 114 5.808 -8.279 -3.694 1.00 42.01 C ATOM 1805 CD1 LEU A 114 4.302 -8.572 -3.752 1.00 4.52 C ATOM 1806 CD2 LEU A 114 6.083 -6.768 -3.577 1.00 51.35 C ATOM 0 H LEU A 114 8.098 -9.711 -4.355 1.00 10.35 H new ATOM 0 HA LEU A 114 8.229 -7.911 -2.130 1.00 22.44 H new ATOM 0 HB2 LEU A 114 6.243 -10.143 -2.692 1.00 61.34 H new ATOM 0 HB3 LEU A 114 6.007 -8.790 -1.604 1.00 61.34 H new ATOM 0 HG LEU A 114 6.260 -8.605 -4.631 1.00 42.01 H new ATOM 0 HD11 LEU A 114 3.851 -7.999 -4.562 1.00 4.52 H new ATOM 0 HD12 LEU A 114 4.145 -9.636 -3.929 1.00 4.52 H new ATOM 0 HD13 LEU A 114 3.840 -8.289 -2.806 1.00 4.52 H new ATOM 0 HD21 LEU A 114 5.599 -6.245 -4.402 1.00 51.35 H new ATOM 0 HD22 LEU A 114 5.687 -6.398 -2.631 1.00 51.35 H new ATOM 0 HD23 LEU A 114 7.158 -6.590 -3.615 1.00 51.35 H new ATOM 1818 N GLU A 115 8.979 -11.055 -1.605 1.00 73.15 N ATOM 1819 CA GLU A 115 9.577 -11.995 -0.629 1.00 32.12 C ATOM 1820 C GLU A 115 11.004 -11.582 -0.227 1.00 11.41 C ATOM 1821 O GLU A 115 11.629 -12.220 0.625 1.00 50.04 O ATOM 1822 CB GLU A 115 9.558 -13.431 -1.180 1.00 61.14 C ATOM 1823 CG GLU A 115 10.247 -13.645 -2.537 1.00 73.15 C ATOM 1824 CD GLU A 115 10.098 -15.089 -3.048 1.00 42.11 C ATOM 1825 OE1 GLU A 115 8.958 -15.504 -3.321 1.00 41.42 O ATOM 1826 OE2 GLU A 115 11.107 -15.824 -3.146 1.00 5.41 O ATOM 0 H GLU A 115 8.962 -11.407 -2.562 1.00 73.15 H new ATOM 0 HA GLU A 115 8.967 -11.959 0.273 1.00 32.12 H new ATOM 0 HB2 GLU A 115 10.032 -14.085 -0.448 1.00 61.14 H new ATOM 0 HB3 GLU A 115 8.520 -13.751 -1.269 1.00 61.14 H new ATOM 0 HG2 GLU A 115 9.823 -12.958 -3.269 1.00 73.15 H new ATOM 0 HG3 GLU A 115 11.306 -13.402 -2.447 1.00 73.15 H new ATOM 1833 N ASN A 116 11.508 -10.515 -0.856 1.00 51.41 N ATOM 1834 CA ASN A 116 12.807 -9.904 -0.527 1.00 12.33 C ATOM 1835 C ASN A 116 12.590 -8.635 0.322 1.00 31.45 C ATOM 1836 O ASN A 116 13.549 -8.047 0.820 1.00 1.21 O ATOM 1837 CB ASN A 116 13.574 -9.578 -1.834 1.00 61.24 C ATOM 1838 CG ASN A 116 13.854 -10.823 -2.684 1.00 33.41 C ATOM 1839 OD1 ASN A 116 12.884 -11.233 -3.487 1.00 3.25 O flip ATOM 1840 ND2 ASN A 116 14.921 -11.434 -2.591 1.00 14.04 N flip ATOM 0 H ASN A 116 11.022 -10.043 -1.618 1.00 51.41 H new ATOM 0 HA ASN A 116 13.405 -10.604 0.057 1.00 12.33 H new ATOM 0 HB2 ASN A 116 12.995 -8.865 -2.421 1.00 61.24 H new ATOM 0 HB3 ASN A 116 14.518 -9.094 -1.585 1.00 61.24 H new ATOM 0 HD21 ASN A 116 15.650 -11.094 -1.964 1.00 14.04 H new ATOM 0 HD22 ASN A 116 15.074 -12.279 -3.141 1.00 14.04 H new ATOM 1847 N ILE A 117 11.305 -8.238 0.480 1.00 11.22 N ATOM 1848 CA ILE A 117 10.890 -7.132 1.361 1.00 11.44 C ATOM 1849 C ILE A 117 10.664 -7.713 2.764 1.00 51.53 C ATOM 1850 O ILE A 117 9.786 -8.569 2.946 1.00 62.23 O ATOM 1851 CB ILE A 117 9.555 -6.450 0.871 1.00 61.32 C ATOM 1852 CG1 ILE A 117 9.663 -5.986 -0.602 1.00 54.34 C ATOM 1853 CG2 ILE A 117 9.151 -5.269 1.791 1.00 60.30 C ATOM 1854 CD1 ILE A 117 8.396 -5.358 -1.149 1.00 31.12 C ATOM 0 H ILE A 117 10.526 -8.682 -0.006 1.00 11.22 H new ATOM 0 HA ILE A 117 11.669 -6.370 1.355 1.00 11.44 H new ATOM 0 HB ILE A 117 8.769 -7.204 0.928 1.00 61.32 H new ATOM 0 HG12 ILE A 117 10.478 -5.267 -0.686 1.00 54.34 H new ATOM 0 HG13 ILE A 117 9.928 -6.842 -1.223 1.00 54.34 H new ATOM 0 HG21 ILE A 117 8.227 -4.822 1.424 1.00 60.30 H new ATOM 0 HG22 ILE A 117 8.999 -5.634 2.807 1.00 60.30 H new ATOM 0 HG23 ILE A 117 9.942 -4.519 1.789 1.00 60.30 H new ATOM 0 HD11 ILE A 117 8.555 -5.061 -2.185 1.00 31.12 H new ATOM 0 HD12 ILE A 117 7.581 -6.081 -1.100 1.00 31.12 H new ATOM 0 HD13 ILE A 117 8.139 -4.481 -0.555 1.00 31.12 H new ATOM 1866 N LYS A 118 11.452 -7.258 3.745 1.00 63.11 N ATOM 1867 CA LYS A 118 11.428 -7.807 5.114 1.00 43.43 C ATOM 1868 C LYS A 118 10.744 -6.810 6.047 1.00 31.52 C ATOM 1869 O LYS A 118 11.005 -5.610 5.949 1.00 54.01 O ATOM 1870 CB LYS A 118 12.876 -8.089 5.614 1.00 50.31 C ATOM 1871 CG LYS A 118 13.770 -8.970 4.702 1.00 62.10 C ATOM 1872 CD LYS A 118 13.378 -10.478 4.641 1.00 23.12 C ATOM 1873 CE LYS A 118 12.248 -10.799 3.648 1.00 20.24 C ATOM 1874 NZ LYS A 118 12.113 -12.263 3.413 1.00 63.33 N ATOM 0 H LYS A 118 12.124 -6.501 3.617 1.00 63.11 H new ATOM 0 HA LYS A 118 10.874 -8.746 5.110 1.00 43.43 H new ATOM 0 HB2 LYS A 118 13.378 -7.132 5.760 1.00 50.31 H new ATOM 0 HB3 LYS A 118 12.811 -8.567 6.591 1.00 50.31 H new ATOM 0 HG2 LYS A 118 13.742 -8.563 3.691 1.00 62.10 H new ATOM 0 HG3 LYS A 118 14.801 -8.893 5.048 1.00 62.10 H new ATOM 0 HD2 LYS A 118 14.259 -11.060 4.371 1.00 23.12 H new ATOM 0 HD3 LYS A 118 13.074 -10.803 5.636 1.00 23.12 H new ATOM 0 HE2 LYS A 118 11.306 -10.405 4.030 1.00 20.24 H new ATOM 0 HE3 LYS A 118 12.443 -10.296 2.701 1.00 20.24 H new ATOM 0 HZ1 LYS A 118 11.906 -12.436 2.408 1.00 63.33 H new ATOM 0 HZ2 LYS A 118 13.001 -12.739 3.671 1.00 63.33 H new ATOM 0 HZ3 LYS A 118 11.337 -12.638 3.995 1.00 63.33 H new ATOM 1888 N ARG A 119 9.920 -7.319 6.988 1.00 4.22 N ATOM 1889 CA ARG A 119 9.274 -6.497 8.039 1.00 35.30 C ATOM 1890 C ARG A 119 10.200 -6.323 9.263 1.00 53.44 C ATOM 1891 O ARG A 119 9.750 -6.254 10.414 1.00 12.44 O ATOM 1892 CB ARG A 119 7.896 -7.084 8.440 1.00 24.11 C ATOM 1893 CG ARG A 119 7.885 -8.588 8.786 1.00 54.32 C ATOM 1894 CD ARG A 119 6.478 -9.080 9.157 1.00 15.53 C ATOM 1895 NE ARG A 119 6.442 -10.509 9.512 1.00 55.42 N ATOM 1896 CZ ARG A 119 5.482 -11.373 9.129 1.00 2.32 C ATOM 1897 NH1 ARG A 119 4.469 -10.971 8.355 1.00 13.11 N ATOM 1898 NH2 ARG A 119 5.528 -12.637 9.538 1.00 3.40 N ATOM 0 H ARG A 119 9.683 -8.310 7.042 1.00 4.22 H new ATOM 0 HA ARG A 119 9.097 -5.504 7.625 1.00 35.30 H new ATOM 0 HB2 ARG A 119 7.522 -6.529 9.300 1.00 24.11 H new ATOM 0 HB3 ARG A 119 7.197 -6.913 7.622 1.00 24.11 H new ATOM 0 HG2 ARG A 119 8.257 -9.159 7.935 1.00 54.32 H new ATOM 0 HG3 ARG A 119 8.566 -8.774 9.617 1.00 54.32 H new ATOM 0 HD2 ARG A 119 6.104 -8.494 9.996 1.00 15.53 H new ATOM 0 HD3 ARG A 119 5.804 -8.903 8.319 1.00 15.53 H new ATOM 0 HE ARG A 119 7.200 -10.871 10.091 1.00 55.42 H new ATOM 0 HH11 ARG A 119 4.416 -10.000 8.047 1.00 13.11 H new ATOM 0 HH12 ARG A 119 3.749 -11.635 8.072 1.00 13.11 H new ATOM 0 HH21 ARG A 119 6.289 -12.951 10.140 1.00 3.40 H new ATOM 0 HH22 ARG A 119 4.802 -13.293 9.249 1.00 3.40 H new