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= 0.00358 K(o=0.54,f=-2.4) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.541 K(o=0.54,f=-6.5!) USER MOD Set 2.1: A 103 HIS : no HD1:sc= -0.735 X(o=-0.73,f=-0.37) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 74 GLN : amide:sc= 0.492 K(o=-0.97,f=-6.2!) USER MOD Set 3.2: A 77 MET CE :methyl 175:sc= -1.46 (180deg=-1.52) USER MOD Set 4.1: A 51 GLN :FLIP amide:sc= 0.693 F(o=-0.96,f=1.9) USER MOD Set 4.2: A 99 THR OG1 : rot 151:sc= 1.2 USER MOD Set 5.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= -0.384 (180deg=-1.95!) USER MOD Single : A 26 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 29 SER OG : rot -24:sc= 0.606 USER MOD Single : A 33 THR OG1 : rot 80:sc= -1.44 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0481 F(o=-0.93,f=-0.048) USER MOD Single : A 47 HIS : no HE2:sc= -0.0139 K(o=-0.011,f=-2.8) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.684 F(o=-1.7!,f=-0.68) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.476 (180deg=0.415) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.82) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-1) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.63 F(o=-1.3!,f=-0.63) USER MOD Single : A 67 ASN : amide:sc= 0.0347 K(o=0.035,f=-6.6!) USER MOD Single : A 68 MET CE :methyl -130:sc= -2 (180deg=-2.19!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.36) USER MOD Single : A 78 TYR OH : rot 151:sc= -0.837 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0774) USER MOD Single : A 85 HIS : no HD1:sc= 0.0206 X(o=0.021,f=-0.2) USER MOD Single : A 102 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.54) USER MOD Single : A 116 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.096) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.286 -14.631 -0.809 1.00 54.24 N ATOM 238 CA VAL A 17 5.626 -13.337 -0.524 1.00 22.54 C ATOM 239 C VAL A 17 4.554 -13.504 0.576 1.00 34.43 C ATOM 240 O VAL A 17 3.618 -14.289 0.385 1.00 34.53 O ATOM 241 CB VAL A 17 4.940 -12.736 -1.816 1.00 53.05 C ATOM 242 CG1 VAL A 17 4.298 -11.359 -1.534 1.00 44.11 C ATOM 243 CG2 VAL A 17 5.942 -12.632 -2.976 1.00 52.13 C ATOM 0 HA VAL A 17 6.402 -12.651 -0.185 1.00 22.54 H new ATOM 0 HB VAL A 17 4.145 -13.423 -2.106 1.00 53.05 H new ATOM 0 HG11 VAL A 17 3.837 -10.979 -2.446 1.00 44.11 H new ATOM 0 HG12 VAL A 17 3.538 -11.464 -0.760 1.00 44.11 H new ATOM 0 HG13 VAL A 17 5.065 -10.662 -1.198 1.00 44.11 H new ATOM 0 HG21 VAL A 17 5.443 -12.216 -3.851 1.00 52.13 H new ATOM 0 HG22 VAL A 17 6.768 -11.983 -2.686 1.00 52.13 H new ATOM 0 HG23 VAL A 17 6.326 -13.624 -3.215 1.00 52.13 H new ATOM 253 N PRO A 18 4.682 -12.790 1.747 1.00 33.11 N ATOM 254 CA PRO A 18 3.692 -12.875 2.851 1.00 0.31 C ATOM 255 C PRO A 18 2.314 -12.333 2.416 1.00 74.31 C ATOM 256 O PRO A 18 2.233 -11.513 1.480 1.00 54.05 O ATOM 257 CB PRO A 18 4.325 -12.010 3.976 1.00 25.21 C ATOM 258 CG PRO A 18 5.229 -11.062 3.259 1.00 70.24 C ATOM 259 CD PRO A 18 5.785 -11.845 2.084 1.00 63.15 C ATOM 0 HA PRO A 18 3.500 -13.899 3.171 1.00 0.31 H new ATOM 0 HB2 PRO A 18 3.562 -11.477 4.543 1.00 25.21 H new ATOM 0 HB3 PRO A 18 4.878 -12.625 4.685 1.00 25.21 H new ATOM 0 HG2 PRO A 18 4.685 -10.180 2.921 1.00 70.24 H new ATOM 0 HG3 PRO A 18 6.029 -10.712 3.912 1.00 70.24 H new ATOM 0 HD2 PRO A 18 6.026 -11.193 1.245 1.00 63.15 H new ATOM 0 HD3 PRO A 18 6.700 -12.374 2.350 1.00 63.15 H new ATOM 267 N ALA A 19 1.252 -12.803 3.109 1.00 24.11 N ATOM 268 CA ALA A 19 -0.152 -12.475 2.793 1.00 51.21 C ATOM 269 C ALA A 19 -0.381 -10.959 2.665 1.00 22.35 C ATOM 270 O ALA A 19 -1.018 -10.520 1.715 1.00 23.40 O ATOM 271 CB ALA A 19 -1.111 -13.076 3.836 1.00 64.53 C ATOM 0 H ALA A 19 1.349 -13.426 3.910 1.00 24.11 H new ATOM 0 HA ALA A 19 -0.367 -12.922 1.823 1.00 51.21 H new ATOM 0 HB1 ALA A 19 -2.138 -12.818 3.577 1.00 64.53 H new ATOM 0 HB2 ALA A 19 -1.001 -14.160 3.849 1.00 64.53 H new ATOM 0 HB3 ALA A 19 -0.874 -12.676 4.822 1.00 64.53 H new ATOM 277 N PHE A 20 0.177 -10.175 3.611 1.00 15.10 N ATOM 278 CA PHE A 20 0.084 -8.701 3.597 1.00 24.32 C ATOM 279 C PHE A 20 0.554 -8.094 2.251 1.00 62.53 C ATOM 280 O PHE A 20 -0.137 -7.250 1.692 1.00 11.50 O ATOM 281 CB PHE A 20 0.890 -8.081 4.777 1.00 42.23 C ATOM 282 CG PHE A 20 0.656 -6.575 4.965 1.00 31.10 C ATOM 283 CD1 PHE A 20 1.409 -5.632 4.258 1.00 24.40 C ATOM 284 CD2 PHE A 20 -0.336 -6.104 5.828 1.00 50.10 C ATOM 285 CE1 PHE A 20 1.183 -4.280 4.409 1.00 12.10 C ATOM 286 CE2 PHE A 20 -0.559 -4.745 5.979 1.00 44.14 C ATOM 287 CZ PHE A 20 0.202 -3.838 5.267 1.00 3.01 C ATOM 0 H PHE A 20 0.703 -10.545 4.403 1.00 15.10 H new ATOM 0 HA PHE A 20 -0.970 -8.453 3.718 1.00 24.32 H new ATOM 0 HB2 PHE A 20 0.623 -8.598 5.698 1.00 42.23 H new ATOM 0 HB3 PHE A 20 1.953 -8.256 4.610 1.00 42.23 H new ATOM 0 HD1 PHE A 20 2.181 -5.969 3.582 1.00 24.40 H new ATOM 0 HD2 PHE A 20 -0.937 -6.808 6.385 1.00 50.10 H new ATOM 0 HE1 PHE A 20 1.776 -3.568 3.854 1.00 12.10 H new ATOM 0 HE2 PHE A 20 -1.327 -4.395 6.653 1.00 44.14 H new ATOM 0 HZ PHE A 20 0.026 -2.779 5.384 1.00 3.01 H new ATOM 297 N LEU A 21 1.710 -8.557 1.733 1.00 42.40 N ATOM 298 CA LEU A 21 2.343 -7.956 0.536 1.00 31.22 C ATOM 299 C LEU A 21 1.696 -8.435 -0.773 1.00 21.32 C ATOM 300 O LEU A 21 1.654 -7.676 -1.744 1.00 53.31 O ATOM 301 CB LEU A 21 3.870 -8.229 0.504 1.00 3.12 C ATOM 302 CG LEU A 21 4.734 -7.480 1.569 1.00 63.14 C ATOM 303 CD1 LEU A 21 6.218 -7.868 1.423 1.00 34.40 C ATOM 304 CD2 LEU A 21 4.556 -5.940 1.481 1.00 45.50 C ATOM 0 H LEU A 21 2.226 -9.345 2.123 1.00 42.40 H new ATOM 0 HA LEU A 21 2.180 -6.881 0.614 1.00 31.22 H new ATOM 0 HB2 LEU A 21 4.028 -9.300 0.629 1.00 3.12 H new ATOM 0 HB3 LEU A 21 4.243 -7.965 -0.485 1.00 3.12 H new ATOM 0 HG LEU A 21 4.384 -7.788 2.554 1.00 63.14 H new ATOM 0 HD11 LEU A 21 6.808 -7.339 2.171 1.00 34.40 H new ATOM 0 HD12 LEU A 21 6.329 -8.943 1.567 1.00 34.40 H new ATOM 0 HD13 LEU A 21 6.568 -7.598 0.427 1.00 34.40 H new ATOM 0 HD21 LEU A 21 5.174 -5.458 2.239 1.00 45.50 H new ATOM 0 HD22 LEU A 21 4.859 -5.595 0.492 1.00 45.50 H new ATOM 0 HD23 LEU A 21 3.510 -5.684 1.650 1.00 45.50 H new ATOM 316 N THR A 22 1.226 -9.699 -0.815 1.00 12.51 N ATOM 317 CA THR A 22 0.530 -10.223 -2.004 1.00 44.15 C ATOM 318 C THR A 22 -0.873 -9.583 -2.134 1.00 52.30 C ATOM 319 O THR A 22 -1.323 -9.295 -3.248 1.00 64.41 O ATOM 320 CB THR A 22 0.458 -11.796 -2.006 1.00 42.44 C ATOM 321 OG1 THR A 22 0.048 -12.275 -3.293 1.00 5.21 O ATOM 322 CG2 THR A 22 -0.485 -12.361 -0.937 1.00 35.45 C ATOM 0 H THR A 22 1.315 -10.367 -0.049 1.00 12.51 H new ATOM 0 HA THR A 22 1.114 -9.943 -2.881 1.00 44.15 H new ATOM 0 HB THR A 22 1.464 -12.144 -1.771 1.00 42.44 H new ATOM 0 HG1 THR A 22 0.009 -13.254 -3.280 1.00 5.21 H new ATOM 0 HG21 THR A 22 -0.488 -13.450 -0.993 1.00 35.45 H new ATOM 0 HG22 THR A 22 -0.144 -12.049 0.050 1.00 35.45 H new ATOM 0 HG23 THR A 22 -1.494 -11.986 -1.107 1.00 35.45 H new ATOM 330 N LYS A 23 -1.527 -9.312 -0.978 1.00 33.41 N ATOM 331 CA LYS A 23 -2.811 -8.588 -0.937 1.00 11.40 C ATOM 332 C LYS A 23 -2.596 -7.113 -1.302 1.00 74.22 C ATOM 333 O LYS A 23 -3.374 -6.553 -2.065 1.00 30.31 O ATOM 334 CB LYS A 23 -3.489 -8.700 0.463 1.00 13.24 C ATOM 335 CG LYS A 23 -3.943 -10.126 0.901 1.00 74.31 C ATOM 336 CD LYS A 23 -5.271 -10.626 0.253 1.00 65.54 C ATOM 337 CE LYS A 23 -5.120 -11.108 -1.203 1.00 44.50 C ATOM 338 NZ LYS A 23 -4.123 -12.207 -1.333 1.00 41.42 N ATOM 0 H LYS A 23 -1.180 -9.588 -0.060 1.00 33.41 H new ATOM 0 HA LYS A 23 -3.477 -9.048 -1.667 1.00 11.40 H new ATOM 0 HB2 LYS A 23 -2.794 -8.318 1.211 1.00 13.24 H new ATOM 0 HB3 LYS A 23 -4.361 -8.045 0.474 1.00 13.24 H new ATOM 0 HG2 LYS A 23 -3.150 -10.833 0.659 1.00 74.31 H new ATOM 0 HG3 LYS A 23 -4.059 -10.136 1.985 1.00 74.31 H new ATOM 0 HD2 LYS A 23 -5.671 -11.442 0.855 1.00 65.54 H new ATOM 0 HD3 LYS A 23 -6.003 -9.819 0.283 1.00 65.54 H new ATOM 0 HE2 LYS A 23 -6.086 -11.451 -1.572 1.00 44.50 H new ATOM 0 HE3 LYS A 23 -4.818 -10.270 -1.832 1.00 44.50 H new ATOM 0 HZ1 LYS A 23 -3.342 -11.896 -1.945 1.00 41.42 H new ATOM 0 HZ2 LYS A 23 -3.751 -12.451 -0.393 1.00 41.42 H new ATOM 0 HZ3 LYS A 23 -4.580 -13.042 -1.752 1.00 41.42 H new ATOM 352 N LEU A 24 -1.527 -6.516 -0.731 1.00 73.44 N ATOM 353 CA LEU A 24 -1.116 -5.130 -1.003 1.00 55.04 C ATOM 354 C LEU A 24 -0.926 -4.883 -2.506 1.00 31.14 C ATOM 355 O LEU A 24 -1.576 -4.015 -3.052 1.00 55.51 O ATOM 356 CB LEU A 24 0.191 -4.769 -0.242 1.00 14.02 C ATOM 357 CG LEU A 24 0.761 -3.332 -0.490 1.00 52.50 C ATOM 358 CD1 LEU A 24 -0.218 -2.234 -0.011 1.00 55.14 C ATOM 359 CD2 LEU A 24 2.155 -3.167 0.155 1.00 14.40 C ATOM 0 H LEU A 24 -0.922 -6.992 -0.062 1.00 73.44 H new ATOM 0 HA LEU A 24 -1.919 -4.486 -0.645 1.00 55.04 H new ATOM 0 HB2 LEU A 24 0.009 -4.886 0.826 1.00 14.02 H new ATOM 0 HB3 LEU A 24 0.958 -5.494 -0.515 1.00 14.02 H new ATOM 0 HG LEU A 24 0.876 -3.209 -1.567 1.00 52.50 H new ATOM 0 HD11 LEU A 24 0.215 -1.252 -0.201 1.00 55.14 H new ATOM 0 HD12 LEU A 24 -1.160 -2.326 -0.551 1.00 55.14 H new ATOM 0 HD13 LEU A 24 -0.400 -2.350 1.057 1.00 55.14 H new ATOM 0 HD21 LEU A 24 2.526 -2.160 -0.033 1.00 14.40 H new ATOM 0 HD22 LEU A 24 2.080 -3.331 1.230 1.00 14.40 H new ATOM 0 HD23 LEU A 24 2.844 -3.894 -0.276 1.00 14.40 H new ATOM 371 N TRP A 25 -0.055 -5.683 -3.157 1.00 70.35 N ATOM 372 CA TRP A 25 0.273 -5.513 -4.589 1.00 52.40 C ATOM 373 C TRP A 25 -1.004 -5.611 -5.465 1.00 72.51 C ATOM 374 O TRP A 25 -1.226 -4.774 -6.343 1.00 54.12 O ATOM 375 CB TRP A 25 1.336 -6.562 -5.038 1.00 73.41 C ATOM 376 CG TRP A 25 2.049 -6.198 -6.332 1.00 64.10 C ATOM 377 CD1 TRP A 25 3.266 -5.572 -6.447 1.00 33.21 C ATOM 378 CD2 TRP A 25 1.590 -6.414 -7.682 1.00 15.50 C ATOM 379 NE1 TRP A 25 3.587 -5.401 -7.765 1.00 64.00 N ATOM 380 CE2 TRP A 25 2.578 -5.905 -8.541 1.00 34.34 C ATOM 381 CE3 TRP A 25 0.442 -6.990 -8.247 1.00 22.42 C ATOM 382 CZ2 TRP A 25 2.457 -5.952 -9.923 1.00 74.12 C ATOM 383 CZ3 TRP A 25 0.323 -7.032 -9.623 1.00 0.21 C ATOM 384 CH2 TRP A 25 1.328 -6.519 -10.448 1.00 50.31 C ATOM 0 H TRP A 25 0.436 -6.457 -2.711 1.00 70.35 H new ATOM 0 HA TRP A 25 0.698 -4.518 -4.724 1.00 52.40 H new ATOM 0 HB2 TRP A 25 2.076 -6.677 -4.246 1.00 73.41 H new ATOM 0 HB3 TRP A 25 0.849 -7.529 -5.162 1.00 73.41 H new ATOM 0 HD1 TRP A 25 3.881 -5.260 -5.616 1.00 33.21 H new ATOM 0 HE1 TRP A 25 4.442 -4.967 -8.114 1.00 64.00 H new ATOM 0 HE3 TRP A 25 -0.336 -7.394 -7.616 1.00 22.42 H new ATOM 0 HZ2 TRP A 25 3.230 -5.554 -10.564 1.00 74.12 H new ATOM 0 HZ3 TRP A 25 -0.560 -7.468 -10.068 1.00 0.21 H new ATOM 0 HH2 TRP A 25 1.211 -6.571 -11.520 1.00 50.31 H new ATOM 395 N THR A 26 -1.842 -6.628 -5.173 1.00 3.10 N ATOM 396 CA THR A 26 -3.129 -6.861 -5.873 1.00 73.03 C ATOM 397 C THR A 26 -4.130 -5.706 -5.622 1.00 23.30 C ATOM 398 O THR A 26 -4.950 -5.389 -6.488 1.00 31.11 O ATOM 399 CB THR A 26 -3.753 -8.225 -5.410 1.00 12.32 C ATOM 400 OG1 THR A 26 -2.784 -9.265 -5.582 1.00 61.31 O ATOM 401 CG2 THR A 26 -5.029 -8.601 -6.191 1.00 62.11 C ATOM 0 H THR A 26 -1.647 -7.314 -4.444 1.00 3.10 H new ATOM 0 HA THR A 26 -2.926 -6.900 -6.943 1.00 73.03 H new ATOM 0 HB THR A 26 -4.034 -8.110 -4.363 1.00 12.32 H new ATOM 0 HG1 THR A 26 -2.300 -9.403 -4.741 1.00 61.31 H new ATOM 0 HG21 THR A 26 -5.412 -9.553 -5.825 1.00 62.11 H new ATOM 0 HG22 THR A 26 -5.784 -7.827 -6.049 1.00 62.11 H new ATOM 0 HG23 THR A 26 -4.794 -8.688 -7.252 1.00 62.11 H new ATOM 409 N LEU A 27 -4.025 -5.083 -4.440 1.00 11.12 N ATOM 410 CA LEU A 27 -4.869 -3.952 -4.016 1.00 50.14 C ATOM 411 C LEU A 27 -4.472 -2.654 -4.746 1.00 13.21 C ATOM 412 O LEU A 27 -5.332 -1.899 -5.218 1.00 32.11 O ATOM 413 CB LEU A 27 -4.737 -3.784 -2.474 1.00 72.44 C ATOM 414 CG LEU A 27 -5.455 -2.565 -1.844 1.00 1.51 C ATOM 415 CD1 LEU A 27 -6.941 -2.567 -2.217 1.00 44.30 C ATOM 416 CD2 LEU A 27 -5.250 -2.522 -0.309 1.00 21.11 C ATOM 0 H LEU A 27 -3.338 -5.355 -3.737 1.00 11.12 H new ATOM 0 HA LEU A 27 -5.907 -4.159 -4.276 1.00 50.14 H new ATOM 0 HB2 LEU A 27 -5.120 -4.687 -1.999 1.00 72.44 H new ATOM 0 HB3 LEU A 27 -3.677 -3.719 -2.228 1.00 72.44 H new ATOM 0 HG LEU A 27 -5.009 -1.657 -2.250 1.00 1.51 H new ATOM 0 HD11 LEU A 27 -7.430 -1.704 -1.766 1.00 44.30 H new ATOM 0 HD12 LEU A 27 -7.044 -2.517 -3.301 1.00 44.30 H new ATOM 0 HD13 LEU A 27 -7.407 -3.481 -1.850 1.00 44.30 H new ATOM 0 HD21 LEU A 27 -5.766 -1.655 0.103 1.00 21.11 H new ATOM 0 HD22 LEU A 27 -5.654 -3.431 0.138 1.00 21.11 H new ATOM 0 HD23 LEU A 27 -4.185 -2.450 -0.086 1.00 21.11 H new ATOM 428 N VAL A 28 -3.164 -2.414 -4.812 1.00 52.15 N ATOM 429 CA VAL A 28 -2.567 -1.308 -5.573 1.00 62.22 C ATOM 430 C VAL A 28 -2.889 -1.458 -7.085 1.00 20.11 C ATOM 431 O VAL A 28 -3.054 -0.469 -7.808 1.00 10.03 O ATOM 432 CB VAL A 28 -1.007 -1.283 -5.337 1.00 3.51 C ATOM 433 CG1 VAL A 28 -0.339 -0.157 -6.121 1.00 41.32 C ATOM 434 CG2 VAL A 28 -0.654 -1.155 -3.838 1.00 11.14 C ATOM 0 H VAL A 28 -2.473 -2.990 -4.331 1.00 52.15 H new ATOM 0 HA VAL A 28 -2.991 -0.365 -5.227 1.00 62.22 H new ATOM 0 HB VAL A 28 -0.625 -2.237 -5.701 1.00 3.51 H new ATOM 0 HG11 VAL A 28 0.735 -0.171 -5.934 1.00 41.32 H new ATOM 0 HG12 VAL A 28 -0.524 -0.296 -7.186 1.00 41.32 H new ATOM 0 HG13 VAL A 28 -0.750 0.801 -5.804 1.00 41.32 H new ATOM 0 HG21 VAL A 28 0.429 -1.141 -3.719 1.00 11.14 H new ATOM 0 HG22 VAL A 28 -1.074 -0.230 -3.443 1.00 11.14 H new ATOM 0 HG23 VAL A 28 -1.068 -2.003 -3.293 1.00 11.14 H new ATOM 444 N SER A 29 -2.995 -2.727 -7.525 1.00 1.02 N ATOM 445 CA SER A 29 -3.299 -3.102 -8.918 1.00 2.43 C ATOM 446 C SER A 29 -4.818 -3.326 -9.141 1.00 73.31 C ATOM 447 O SER A 29 -5.223 -3.739 -10.233 1.00 34.04 O ATOM 448 CB SER A 29 -2.483 -4.381 -9.265 1.00 24.14 C ATOM 449 OG SER A 29 -2.682 -4.822 -10.605 1.00 72.53 O ATOM 0 H SER A 29 -2.870 -3.532 -6.912 1.00 1.02 H new ATOM 0 HA SER A 29 -3.014 -2.285 -9.581 1.00 2.43 H new ATOM 0 HB2 SER A 29 -1.423 -4.183 -9.107 1.00 24.14 H new ATOM 0 HB3 SER A 29 -2.763 -5.181 -8.580 1.00 24.14 H new ATOM 0 HG SER A 29 -3.549 -4.500 -10.930 1.00 72.53 H new ATOM 455 N ASP A 30 -5.651 -3.057 -8.116 1.00 3.32 N ATOM 456 CA ASP A 30 -7.120 -3.232 -8.201 1.00 54.51 C ATOM 457 C ASP A 30 -7.778 -1.973 -8.796 1.00 61.13 C ATOM 458 O ASP A 30 -7.634 -0.888 -8.222 1.00 14.23 O ATOM 459 CB ASP A 30 -7.707 -3.541 -6.798 1.00 60.14 C ATOM 460 CG ASP A 30 -9.225 -3.840 -6.770 1.00 32.15 C ATOM 461 OD1 ASP A 30 -9.761 -4.421 -7.741 1.00 53.44 O ATOM 462 OD2 ASP A 30 -9.878 -3.570 -5.742 1.00 41.04 O ATOM 0 H ASP A 30 -5.330 -2.714 -7.210 1.00 3.32 H new ATOM 0 HA ASP A 30 -7.333 -4.075 -8.859 1.00 54.51 H new ATOM 0 HB2 ASP A 30 -7.177 -4.397 -6.380 1.00 60.14 H new ATOM 0 HB3 ASP A 30 -7.508 -2.692 -6.144 1.00 60.14 H new ATOM 467 N PRO A 31 -8.527 -2.099 -9.947 1.00 22.34 N ATOM 468 CA PRO A 31 -9.212 -0.949 -10.590 1.00 44.43 C ATOM 469 C PRO A 31 -10.456 -0.450 -9.805 1.00 74.44 C ATOM 470 O PRO A 31 -10.967 0.635 -10.092 1.00 43.42 O ATOM 471 CB PRO A 31 -9.604 -1.514 -11.981 1.00 3.13 C ATOM 472 CG PRO A 31 -9.793 -2.979 -11.751 1.00 13.35 C ATOM 473 CD PRO A 31 -8.750 -3.359 -10.720 1.00 55.00 C ATOM 0 HA PRO A 31 -8.573 -0.067 -10.635 1.00 44.43 H new ATOM 0 HB2 PRO A 31 -10.517 -1.050 -12.355 1.00 3.13 H new ATOM 0 HB3 PRO A 31 -8.825 -1.326 -12.720 1.00 3.13 H new ATOM 0 HG2 PRO A 31 -10.799 -3.194 -11.391 1.00 13.35 H new ATOM 0 HG3 PRO A 31 -9.658 -3.543 -12.674 1.00 13.35 H new ATOM 0 HD2 PRO A 31 -9.101 -4.165 -10.076 1.00 55.00 H new ATOM 0 HD3 PRO A 31 -7.831 -3.705 -11.192 1.00 55.00 H new ATOM 481 N ASP A 32 -10.938 -1.261 -8.835 1.00 15.22 N ATOM 482 CA ASP A 32 -12.085 -0.899 -7.962 1.00 44.25 C ATOM 483 C ASP A 32 -11.650 0.057 -6.839 1.00 60.24 C ATOM 484 O ASP A 32 -12.415 0.937 -6.420 1.00 64.42 O ATOM 485 CB ASP A 32 -12.710 -2.178 -7.349 1.00 73.33 C ATOM 486 CG ASP A 32 -13.941 -1.902 -6.466 1.00 52.10 C ATOM 487 OD1 ASP A 32 -15.052 -1.740 -7.016 1.00 3.14 O ATOM 488 OD2 ASP A 32 -13.809 -1.878 -5.215 1.00 42.52 O ATOM 0 H ASP A 32 -10.547 -2.181 -8.634 1.00 15.22 H new ATOM 0 HA ASP A 32 -12.828 -0.389 -8.576 1.00 44.25 H new ATOM 0 HB2 ASP A 32 -12.996 -2.854 -8.155 1.00 73.33 H new ATOM 0 HB3 ASP A 32 -11.955 -2.692 -6.754 1.00 73.33 H new ATOM 493 N THR A 33 -10.408 -0.121 -6.370 1.00 74.42 N ATOM 494 CA THR A 33 -9.850 0.651 -5.246 1.00 52.51 C ATOM 495 C THR A 33 -8.732 1.589 -5.733 1.00 65.23 C ATOM 496 O THR A 33 -8.049 2.207 -4.922 1.00 74.34 O ATOM 497 CB THR A 33 -9.306 -0.301 -4.138 1.00 11.40 C ATOM 498 OG1 THR A 33 -8.320 -1.173 -4.698 1.00 42.22 O ATOM 499 CG2 THR A 33 -10.427 -1.150 -3.499 1.00 71.03 C ATOM 0 H THR A 33 -9.759 -0.805 -6.758 1.00 74.42 H new ATOM 0 HA THR A 33 -10.652 1.255 -4.822 1.00 52.51 H new ATOM 0 HB THR A 33 -8.869 0.321 -3.357 1.00 11.40 H new ATOM 0 HG1 THR A 33 -7.466 -0.698 -4.770 1.00 42.22 H new ATOM 0 HG21 THR A 33 -10.001 -1.798 -2.733 1.00 71.03 H new ATOM 0 HG22 THR A 33 -11.169 -0.492 -3.046 1.00 71.03 H new ATOM 0 HG23 THR A 33 -10.904 -1.760 -4.266 1.00 71.03 H new ATOM 507 N ASP A 34 -8.597 1.697 -7.075 1.00 24.15 N ATOM 508 CA ASP A 34 -7.567 2.505 -7.771 1.00 22.12 C ATOM 509 C ASP A 34 -7.607 3.986 -7.355 1.00 21.41 C ATOM 510 O ASP A 34 -6.568 4.652 -7.264 1.00 4.21 O ATOM 511 CB ASP A 34 -7.782 2.352 -9.303 1.00 61.22 C ATOM 512 CG ASP A 34 -6.800 3.162 -10.165 1.00 25.01 C ATOM 513 OD1 ASP A 34 -5.661 2.693 -10.380 1.00 24.25 O ATOM 514 OD2 ASP A 34 -7.170 4.255 -10.657 1.00 45.32 O ATOM 0 H ASP A 34 -9.218 1.211 -7.722 1.00 24.15 H new ATOM 0 HA ASP A 34 -6.580 2.138 -7.489 1.00 22.12 H new ATOM 0 HB2 ASP A 34 -7.694 1.298 -9.567 1.00 61.22 H new ATOM 0 HB3 ASP A 34 -8.799 2.658 -9.547 1.00 61.22 H new ATOM 519 N ALA A 35 -8.824 4.478 -7.091 1.00 15.55 N ATOM 520 CA ALA A 35 -9.056 5.859 -6.641 1.00 42.31 C ATOM 521 C ALA A 35 -8.402 6.130 -5.271 1.00 32.11 C ATOM 522 O ALA A 35 -7.906 7.228 -5.028 1.00 74.14 O ATOM 523 CB ALA A 35 -10.558 6.157 -6.578 1.00 71.50 C ATOM 0 H ALA A 35 -9.679 3.929 -7.183 1.00 15.55 H new ATOM 0 HA ALA A 35 -8.591 6.523 -7.369 1.00 42.31 H new ATOM 0 HB1 ALA A 35 -10.712 7.183 -6.243 1.00 71.50 H new ATOM 0 HB2 ALA A 35 -10.996 6.029 -7.568 1.00 71.50 H new ATOM 0 HB3 ALA A 35 -11.036 5.472 -5.878 1.00 71.50 H new ATOM 529 N LEU A 36 -8.370 5.107 -4.397 1.00 34.34 N ATOM 530 CA LEU A 36 -7.892 5.245 -3.008 1.00 13.30 C ATOM 531 C LEU A 36 -6.493 4.633 -2.833 1.00 4.43 C ATOM 532 O LEU A 36 -5.864 4.838 -1.795 1.00 74.44 O ATOM 533 CB LEU A 36 -8.908 4.595 -2.028 1.00 4.41 C ATOM 534 CG LEU A 36 -10.336 5.230 -2.019 1.00 71.25 C ATOM 535 CD1 LEU A 36 -11.263 4.522 -1.007 1.00 14.34 C ATOM 536 CD2 LEU A 36 -10.265 6.746 -1.728 1.00 74.32 C ATOM 0 H LEU A 36 -8.674 4.162 -4.633 1.00 34.34 H new ATOM 0 HA LEU A 36 -7.813 6.308 -2.778 1.00 13.30 H new ATOM 0 HB2 LEU A 36 -9.001 3.538 -2.277 1.00 4.41 H new ATOM 0 HB3 LEU A 36 -8.499 4.650 -1.019 1.00 4.41 H new ATOM 0 HG LEU A 36 -10.762 5.092 -3.013 1.00 71.25 H new ATOM 0 HD11 LEU A 36 -12.248 4.989 -1.027 1.00 14.34 H new ATOM 0 HD12 LEU A 36 -11.355 3.469 -1.273 1.00 14.34 H new ATOM 0 HD13 LEU A 36 -10.841 4.607 -0.006 1.00 14.34 H new ATOM 0 HD21 LEU A 36 -11.272 7.164 -1.727 1.00 74.32 H new ATOM 0 HD22 LEU A 36 -9.804 6.908 -0.754 1.00 74.32 H new ATOM 0 HD23 LEU A 36 -9.669 7.237 -2.498 1.00 74.32 H new ATOM 548 N ILE A 37 -6.039 3.841 -3.825 1.00 34.33 N ATOM 549 CA ILE A 37 -4.686 3.264 -3.834 1.00 62.02 C ATOM 550 C ILE A 37 -4.303 2.817 -5.268 1.00 34.20 C ATOM 551 O ILE A 37 -4.982 1.984 -5.879 1.00 72.44 O ATOM 552 CB ILE A 37 -4.562 2.081 -2.791 1.00 23.42 C ATOM 553 CG1 ILE A 37 -3.093 1.561 -2.668 1.00 23.25 C ATOM 554 CG2 ILE A 37 -5.555 0.922 -3.096 1.00 74.34 C ATOM 555 CD1 ILE A 37 -2.859 0.576 -1.522 1.00 31.33 C ATOM 0 H ILE A 37 -6.600 3.586 -4.638 1.00 34.33 H new ATOM 0 HA ILE A 37 -3.977 4.032 -3.524 1.00 62.02 H new ATOM 0 HB ILE A 37 -4.841 2.493 -1.821 1.00 23.42 H new ATOM 0 HG12 ILE A 37 -2.812 1.081 -3.605 1.00 23.25 H new ATOM 0 HG13 ILE A 37 -2.429 2.415 -2.536 1.00 23.25 H new ATOM 0 HG21 ILE A 37 -5.433 0.133 -2.354 1.00 74.34 H new ATOM 0 HG22 ILE A 37 -6.577 1.299 -3.060 1.00 74.34 H new ATOM 0 HG23 ILE A 37 -5.352 0.520 -4.089 1.00 74.34 H new ATOM 0 HD11 ILE A 37 -1.813 0.269 -1.514 1.00 31.33 H new ATOM 0 HD12 ILE A 37 -3.104 1.056 -0.574 1.00 31.33 H new ATOM 0 HD13 ILE A 37 -3.493 -0.300 -1.660 1.00 31.33 H new ATOM 567 N CYS A 38 -3.224 3.404 -5.810 1.00 75.25 N ATOM 568 CA CYS A 38 -2.734 3.105 -7.172 1.00 21.12 C ATOM 569 C CYS A 38 -1.219 3.297 -7.230 1.00 24.50 C ATOM 570 O CYS A 38 -0.680 4.146 -6.514 1.00 50.30 O ATOM 571 CB CYS A 38 -3.418 4.046 -8.190 1.00 33.04 C ATOM 572 SG CYS A 38 -3.254 5.805 -7.788 1.00 60.53 S ATOM 0 H CYS A 38 -2.664 4.100 -5.319 1.00 75.25 H new ATOM 0 HA CYS A 38 -2.974 2.071 -7.420 1.00 21.12 H new ATOM 0 HB2 CYS A 38 -2.993 3.868 -9.178 1.00 33.04 H new ATOM 0 HB3 CYS A 38 -4.477 3.794 -8.249 1.00 33.04 H new ATOM 0 HG CYS A 38 -3.855 6.515 -8.696 1.00 60.53 H new ATOM 578 N TRP A 39 -0.534 2.532 -8.107 1.00 3.14 N ATOM 579 CA TRP A 39 0.926 2.652 -8.289 1.00 12.14 C ATOM 580 C TRP A 39 1.230 3.676 -9.371 1.00 63.11 C ATOM 581 O TRP A 39 0.417 3.909 -10.275 1.00 25.35 O ATOM 582 CB TRP A 39 1.628 1.287 -8.588 1.00 41.54 C ATOM 583 CG TRP A 39 1.096 0.496 -9.767 1.00 4.31 C ATOM 584 CD1 TRP A 39 -0.125 -0.108 -9.874 1.00 22.10 C ATOM 585 CD2 TRP A 39 1.796 0.174 -10.974 1.00 62.25 C ATOM 586 NE1 TRP A 39 -0.229 -0.751 -11.079 1.00 40.25 N ATOM 587 CE2 TRP A 39 0.938 -0.598 -11.771 1.00 75.43 C ATOM 588 CE3 TRP A 39 3.062 0.479 -11.456 1.00 24.24 C ATOM 589 CZ2 TRP A 39 1.311 -1.076 -13.022 1.00 50.23 C ATOM 590 CZ3 TRP A 39 3.437 0.009 -12.697 1.00 43.34 C ATOM 591 CH2 TRP A 39 2.565 -0.765 -13.468 1.00 75.22 C ATOM 0 H TRP A 39 -0.970 1.825 -8.699 1.00 3.14 H new ATOM 0 HA TRP A 39 1.340 2.994 -7.340 1.00 12.14 H new ATOM 0 HB2 TRP A 39 2.688 1.478 -8.756 1.00 41.54 H new ATOM 0 HB3 TRP A 39 1.554 0.663 -7.697 1.00 41.54 H new ATOM 0 HD1 TRP A 39 -0.896 -0.082 -9.118 1.00 22.10 H new ATOM 0 HE1 TRP A 39 -1.048 -1.263 -11.407 1.00 40.25 H new ATOM 0 HE3 TRP A 39 3.743 1.076 -10.867 1.00 24.24 H new ATOM 0 HZ2 TRP A 39 0.635 -1.671 -13.619 1.00 50.23 H new ATOM 0 HZ3 TRP A 39 4.420 0.243 -13.079 1.00 43.34 H new ATOM 0 HH2 TRP A 39 2.888 -1.124 -14.434 1.00 75.22 H new ATOM 602 N SER A 40 2.421 4.270 -9.262 1.00 23.22 N ATOM 603 CA SER A 40 2.873 5.354 -10.138 1.00 15.04 C ATOM 604 C SER A 40 3.432 4.753 -11.449 1.00 43.01 C ATOM 605 O SER A 40 3.866 3.600 -11.436 1.00 51.25 O ATOM 606 CB SER A 40 3.960 6.176 -9.396 1.00 24.11 C ATOM 607 OG SER A 40 3.458 6.682 -8.167 1.00 72.22 O ATOM 0 H SER A 40 3.107 4.008 -8.554 1.00 23.22 H new ATOM 0 HA SER A 40 2.043 6.014 -10.390 1.00 15.04 H new ATOM 0 HB2 SER A 40 4.831 5.549 -9.208 1.00 24.11 H new ATOM 0 HB3 SER A 40 4.292 7.001 -10.026 1.00 24.11 H new ATOM 0 HG SER A 40 4.159 7.196 -7.714 1.00 72.22 H new ATOM 613 N PRO A 41 3.440 5.514 -12.603 1.00 14.24 N ATOM 614 CA PRO A 41 4.086 5.055 -13.877 1.00 74.01 C ATOM 615 C PRO A 41 5.582 4.661 -13.725 1.00 61.42 C ATOM 616 O PRO A 41 6.147 3.994 -14.598 1.00 4.42 O ATOM 617 CB PRO A 41 3.914 6.278 -14.820 1.00 32.51 C ATOM 618 CG PRO A 41 2.716 7.005 -14.283 1.00 32.43 C ATOM 619 CD PRO A 41 2.781 6.841 -12.777 1.00 53.20 C ATOM 0 HA PRO A 41 3.626 4.139 -14.248 1.00 74.01 H new ATOM 0 HB2 PRO A 41 4.800 6.913 -14.811 1.00 32.51 H new ATOM 0 HB3 PRO A 41 3.757 5.964 -15.852 1.00 32.51 H new ATOM 0 HG2 PRO A 41 2.738 8.058 -14.564 1.00 32.43 H new ATOM 0 HG3 PRO A 41 1.792 6.587 -14.683 1.00 32.43 H new ATOM 0 HD2 PRO A 41 3.357 7.640 -12.310 1.00 53.20 H new ATOM 0 HD3 PRO A 41 1.788 6.859 -12.327 1.00 53.20 H new ATOM 627 N SER A 42 6.194 5.091 -12.611 1.00 62.20 N ATOM 628 CA SER A 42 7.569 4.729 -12.234 1.00 64.13 C ATOM 629 C SER A 42 7.663 3.252 -11.799 1.00 32.22 C ATOM 630 O SER A 42 8.665 2.578 -12.054 1.00 43.25 O ATOM 631 CB SER A 42 8.020 5.658 -11.092 1.00 40.41 C ATOM 632 OG SER A 42 7.868 7.018 -11.473 1.00 34.02 O ATOM 0 H SER A 42 5.741 5.709 -11.937 1.00 62.20 H new ATOM 0 HA SER A 42 8.223 4.851 -13.098 1.00 64.13 H new ATOM 0 HB2 SER A 42 7.432 5.456 -10.197 1.00 40.41 H new ATOM 0 HB3 SER A 42 9.062 5.458 -10.841 1.00 40.41 H new ATOM 0 HG SER A 42 8.157 7.598 -10.738 1.00 34.02 H new ATOM 638 N GLY A 43 6.607 2.776 -11.115 1.00 31.10 N ATOM 639 CA GLY A 43 6.492 1.376 -10.699 1.00 72.42 C ATOM 640 C GLY A 43 7.240 1.030 -9.416 1.00 15.25 C ATOM 641 O GLY A 43 7.232 -0.128 -9.001 1.00 10.15 O ATOM 0 H GLY A 43 5.813 3.354 -10.838 1.00 31.10 H new ATOM 0 HA2 GLY A 43 5.437 1.136 -10.565 1.00 72.42 H new ATOM 0 HA3 GLY A 43 6.863 0.740 -11.503 1.00 72.42 H new ATOM 645 N ASN A 44 7.892 2.036 -8.791 1.00 34.22 N ATOM 646 CA ASN A 44 8.735 1.835 -7.588 1.00 23.45 C ATOM 647 C ASN A 44 7.998 2.295 -6.309 1.00 43.24 C ATOM 648 O ASN A 44 8.518 2.142 -5.192 1.00 44.32 O ATOM 649 CB ASN A 44 10.078 2.624 -7.732 1.00 42.51 C ATOM 650 CG ASN A 44 10.786 2.513 -9.102 1.00 54.40 C ATOM 651 OD1 ASN A 44 10.649 1.391 -9.800 1.00 35.42 O flip ATOM 652 ND2 ASN A 44 11.458 3.453 -9.532 1.00 2.32 N flip ATOM 0 H ASN A 44 7.850 3.006 -9.103 1.00 34.22 H new ATOM 0 HA ASN A 44 8.947 0.769 -7.501 1.00 23.45 H new ATOM 0 HB2 ASN A 44 9.881 3.677 -7.532 1.00 42.51 H new ATOM 0 HB3 ASN A 44 10.765 2.276 -6.961 1.00 42.51 H new ATOM 0 HD21 ASN A 44 11.552 4.307 -8.982 1.00 2.32 H new ATOM 0 HD22 ASN A 44 11.920 3.377 -10.438 1.00 2.32 H new ATOM 659 N SER A 45 6.779 2.851 -6.481 1.00 22.13 N ATOM 660 CA SER A 45 6.032 3.523 -5.399 1.00 20.43 C ATOM 661 C SER A 45 4.518 3.485 -5.681 1.00 51.11 C ATOM 662 O SER A 45 4.095 3.249 -6.825 1.00 12.15 O ATOM 663 CB SER A 45 6.503 4.994 -5.282 1.00 31.14 C ATOM 664 OG SER A 45 6.363 5.695 -6.513 1.00 0.11 O ATOM 0 H SER A 45 6.287 2.846 -7.374 1.00 22.13 H new ATOM 0 HA SER A 45 6.225 2.999 -4.463 1.00 20.43 H new ATOM 0 HB2 SER A 45 5.925 5.500 -4.508 1.00 31.14 H new ATOM 0 HB3 SER A 45 7.546 5.017 -4.967 1.00 31.14 H new ATOM 0 HG SER A 45 6.668 6.619 -6.400 1.00 0.11 H new ATOM 670 N PHE A 46 3.704 3.741 -4.635 1.00 74.54 N ATOM 671 CA PHE A 46 2.240 3.860 -4.770 1.00 52.20 C ATOM 672 C PHE A 46 1.705 4.967 -3.851 1.00 72.44 C ATOM 673 O PHE A 46 2.298 5.260 -2.813 1.00 53.15 O ATOM 674 CB PHE A 46 1.535 2.504 -4.494 1.00 3.41 C ATOM 675 CG PHE A 46 1.706 1.913 -3.090 1.00 22.24 C ATOM 676 CD1 PHE A 46 2.822 1.139 -2.769 1.00 52.33 C ATOM 677 CD2 PHE A 46 0.735 2.106 -2.102 1.00 61.44 C ATOM 678 CE1 PHE A 46 2.963 0.582 -1.511 1.00 63.05 C ATOM 679 CE2 PHE A 46 0.878 1.544 -0.846 1.00 53.42 C ATOM 680 CZ PHE A 46 1.993 0.782 -0.552 1.00 53.22 C ATOM 0 H PHE A 46 4.041 3.870 -3.681 1.00 74.54 H new ATOM 0 HA PHE A 46 2.014 4.136 -5.800 1.00 52.20 H new ATOM 0 HB2 PHE A 46 0.469 2.630 -4.683 1.00 3.41 H new ATOM 0 HB3 PHE A 46 1.903 1.776 -5.217 1.00 3.41 H new ATOM 0 HD1 PHE A 46 3.586 0.973 -3.514 1.00 52.33 H new ATOM 0 HD2 PHE A 46 -0.138 2.702 -2.323 1.00 61.44 H new ATOM 0 HE1 PHE A 46 3.835 -0.011 -1.279 1.00 63.05 H new ATOM 0 HE2 PHE A 46 0.118 1.701 -0.095 1.00 53.42 H new ATOM 0 HZ PHE A 46 2.104 0.343 0.429 1.00 53.22 H new ATOM 690 N HIS A 47 0.574 5.575 -4.251 1.00 55.31 N ATOM 691 CA HIS A 47 -0.087 6.656 -3.496 1.00 11.32 C ATOM 692 C HIS A 47 -1.394 6.123 -2.888 1.00 4.52 C ATOM 693 O HIS A 47 -2.040 5.243 -3.468 1.00 62.43 O ATOM 694 CB HIS A 47 -0.383 7.870 -4.418 1.00 23.45 C ATOM 695 CG HIS A 47 0.840 8.633 -4.881 1.00 13.23 C ATOM 696 ND1 HIS A 47 0.981 9.992 -4.722 1.00 35.43 N ATOM 697 CD2 HIS A 47 1.964 8.225 -5.523 1.00 34.32 C ATOM 698 CE1 HIS A 47 2.118 10.390 -5.244 1.00 12.23 C ATOM 699 NE2 HIS A 47 2.731 9.337 -5.738 1.00 3.43 N ATOM 0 H HIS A 47 0.089 5.329 -5.114 1.00 55.31 H new ATOM 0 HA HIS A 47 0.578 6.990 -2.700 1.00 11.32 H new ATOM 0 HB2 HIS A 47 -0.927 7.518 -5.295 1.00 23.45 H new ATOM 0 HB3 HIS A 47 -1.043 8.557 -3.889 1.00 23.45 H new ATOM 0 HD1 HIS A 47 0.302 10.601 -4.266 1.00 35.43 H new ATOM 0 HD2 HIS A 47 2.207 7.213 -5.810 1.00 34.32 H new ATOM 0 HE1 HIS A 47 2.486 11.405 -5.264 1.00 12.23 H new ATOM 708 N VAL A 48 -1.767 6.672 -1.722 1.00 13.14 N ATOM 709 CA VAL A 48 -3.013 6.336 -1.009 1.00 1.15 C ATOM 710 C VAL A 48 -3.807 7.633 -0.792 1.00 62.31 C ATOM 711 O VAL A 48 -3.240 8.634 -0.337 1.00 71.11 O ATOM 712 CB VAL A 48 -2.734 5.645 0.387 1.00 44.43 C ATOM 713 CG1 VAL A 48 -4.053 5.321 1.132 1.00 31.31 C ATOM 714 CG2 VAL A 48 -1.872 4.372 0.214 1.00 22.11 C ATOM 0 H VAL A 48 -1.204 7.373 -1.239 1.00 13.14 H new ATOM 0 HA VAL A 48 -3.577 5.625 -1.613 1.00 1.15 H new ATOM 0 HB VAL A 48 -2.174 6.353 0.998 1.00 44.43 H new ATOM 0 HG11 VAL A 48 -3.825 4.847 2.087 1.00 31.31 H new ATOM 0 HG12 VAL A 48 -4.608 6.243 1.308 1.00 31.31 H new ATOM 0 HG13 VAL A 48 -4.656 4.645 0.526 1.00 31.31 H new ATOM 0 HG21 VAL A 48 -1.695 3.917 1.189 1.00 22.11 H new ATOM 0 HG22 VAL A 48 -2.395 3.663 -0.428 1.00 22.11 H new ATOM 0 HG23 VAL A 48 -0.918 4.638 -0.241 1.00 22.11 H new ATOM 724 N PHE A 49 -5.111 7.591 -1.124 1.00 50.32 N ATOM 725 CA PHE A 49 -6.031 8.739 -0.993 1.00 35.30 C ATOM 726 C PHE A 49 -7.118 8.431 0.042 1.00 61.40 C ATOM 727 O PHE A 49 -7.537 7.272 0.170 1.00 52.11 O ATOM 728 CB PHE A 49 -6.687 9.078 -2.354 1.00 62.50 C ATOM 729 CG PHE A 49 -5.699 9.545 -3.423 1.00 21.33 C ATOM 730 CD1 PHE A 49 -5.022 8.624 -4.230 1.00 45.32 C ATOM 731 CD2 PHE A 49 -5.453 10.903 -3.622 1.00 30.43 C ATOM 732 CE1 PHE A 49 -4.134 9.056 -5.202 1.00 14.41 C ATOM 733 CE2 PHE A 49 -4.568 11.330 -4.591 1.00 62.40 C ATOM 734 CZ PHE A 49 -3.911 10.407 -5.381 1.00 14.05 C ATOM 0 H PHE A 49 -5.560 6.753 -1.494 1.00 50.32 H new ATOM 0 HA PHE A 49 -5.452 9.601 -0.661 1.00 35.30 H new ATOM 0 HB2 PHE A 49 -7.214 8.197 -2.721 1.00 62.50 H new ATOM 0 HB3 PHE A 49 -7.435 9.856 -2.201 1.00 62.50 H new ATOM 0 HD1 PHE A 49 -5.193 7.566 -4.094 1.00 45.32 H new ATOM 0 HD2 PHE A 49 -5.963 11.631 -3.009 1.00 30.43 H new ATOM 0 HE1 PHE A 49 -3.617 8.337 -5.819 1.00 14.41 H new ATOM 0 HE2 PHE A 49 -4.389 12.386 -4.732 1.00 62.40 H new ATOM 0 HZ PHE A 49 -3.221 10.743 -6.141 1.00 14.05 H new ATOM 744 N ASP A 50 -7.564 9.498 0.758 1.00 75.35 N ATOM 745 CA ASP A 50 -8.702 9.450 1.705 1.00 62.12 C ATOM 746 C ASP A 50 -8.553 8.300 2.723 1.00 70.40 C ATOM 747 O ASP A 50 -9.305 7.328 2.681 1.00 21.44 O ATOM 748 CB ASP A 50 -10.055 9.360 0.941 1.00 23.21 C ATOM 749 CG ASP A 50 -10.333 10.600 0.083 1.00 14.33 C ATOM 750 OD1 ASP A 50 -10.825 11.609 0.634 1.00 21.24 O ATOM 751 OD2 ASP A 50 -10.065 10.578 -1.139 1.00 53.30 O ATOM 0 H ASP A 50 -7.137 10.422 0.691 1.00 75.35 H new ATOM 0 HA ASP A 50 -8.697 10.380 2.273 1.00 62.12 H new ATOM 0 HB2 ASP A 50 -10.050 8.476 0.304 1.00 23.21 H new ATOM 0 HB3 ASP A 50 -10.865 9.231 1.659 1.00 23.21 H new ATOM 756 N GLN A 51 -7.548 8.428 3.606 1.00 31.52 N ATOM 757 CA GLN A 51 -7.133 7.372 4.564 1.00 51.41 C ATOM 758 C GLN A 51 -8.279 6.824 5.454 1.00 42.54 C ATOM 759 O GLN A 51 -8.257 5.650 5.824 1.00 4.41 O ATOM 760 CB GLN A 51 -5.965 7.887 5.440 1.00 73.02 C ATOM 761 CG GLN A 51 -4.653 8.125 4.659 1.00 74.41 C ATOM 762 CD GLN A 51 -3.507 8.645 5.525 1.00 34.02 C ATOM 763 OE1 GLN A 51 -2.573 9.338 4.908 1.00 4.41 O flip ATOM 764 NE2 GLN A 51 -3.441 8.388 6.730 1.00 24.14 N flip ATOM 0 H GLN A 51 -6.989 9.278 3.681 1.00 31.52 H new ATOM 0 HA GLN A 51 -6.810 6.526 3.958 1.00 51.41 H new ATOM 0 HB2 GLN A 51 -6.266 8.819 5.918 1.00 73.02 H new ATOM 0 HB3 GLN A 51 -5.777 7.167 6.236 1.00 73.02 H new ATOM 0 HG2 GLN A 51 -4.346 7.191 4.189 1.00 74.41 H new ATOM 0 HG3 GLN A 51 -4.843 8.838 3.857 1.00 74.41 H new ATOM 0 HE21 GLN A 51 -4.182 7.849 7.178 1.00 24.14 H new ATOM 0 HE22 GLN A 51 -2.646 8.715 7.278 1.00 24.14 H new ATOM 773 N GLY A 52 -9.267 7.673 5.777 1.00 71.52 N ATOM 774 CA GLY A 52 -10.435 7.247 6.562 1.00 51.40 C ATOM 775 C GLY A 52 -11.383 6.360 5.748 1.00 34.54 C ATOM 776 O GLY A 52 -11.826 5.313 6.222 1.00 42.01 O ATOM 0 H GLY A 52 -9.280 8.657 5.507 1.00 71.52 H new ATOM 0 HA2 GLY A 52 -10.099 6.703 7.445 1.00 51.40 H new ATOM 0 HA3 GLY A 52 -10.975 8.126 6.915 1.00 51.40 H new ATOM 780 N GLN A 53 -11.633 6.775 4.493 1.00 55.11 N ATOM 781 CA GLN A 53 -12.527 6.078 3.536 1.00 13.44 C ATOM 782 C GLN A 53 -11.878 4.770 3.024 1.00 50.14 C ATOM 783 O GLN A 53 -12.558 3.764 2.767 1.00 32.13 O ATOM 784 CB GLN A 53 -12.830 7.071 2.382 1.00 52.32 C ATOM 785 CG GLN A 53 -13.555 6.507 1.141 1.00 35.34 C ATOM 786 CD GLN A 53 -15.003 6.088 1.391 1.00 61.45 C ATOM 787 OE1 GLN A 53 -15.223 4.827 1.725 1.00 5.01 O flip ATOM 788 NE2 GLN A 53 -15.925 6.890 1.253 1.00 22.32 N flip ATOM 0 H GLN A 53 -11.214 7.619 4.103 1.00 55.11 H new ATOM 0 HA GLN A 53 -13.458 5.781 4.019 1.00 13.44 H new ATOM 0 HB2 GLN A 53 -13.433 7.885 2.785 1.00 52.32 H new ATOM 0 HB3 GLN A 53 -11.886 7.506 2.054 1.00 52.32 H new ATOM 0 HG2 GLN A 53 -13.538 7.260 0.353 1.00 35.34 H new ATOM 0 HG3 GLN A 53 -12.999 5.645 0.771 1.00 35.34 H new ATOM 0 HE21 GLN A 53 -15.726 7.857 0.995 1.00 22.32 H new ATOM 0 HE22 GLN A 53 -16.889 6.589 1.397 1.00 22.32 H new ATOM 797 N PHE A 54 -10.551 4.810 2.920 1.00 51.33 N ATOM 798 CA PHE A 54 -9.711 3.688 2.499 1.00 75.34 C ATOM 799 C PHE A 54 -9.708 2.608 3.584 1.00 24.14 C ATOM 800 O PHE A 54 -9.975 1.439 3.323 1.00 24.24 O ATOM 801 CB PHE A 54 -8.275 4.236 2.218 1.00 42.44 C ATOM 802 CG PHE A 54 -7.175 3.194 2.004 1.00 32.31 C ATOM 803 CD1 PHE A 54 -6.936 2.646 0.749 1.00 35.43 C ATOM 804 CD2 PHE A 54 -6.360 2.784 3.068 1.00 54.34 C ATOM 805 CE1 PHE A 54 -5.922 1.724 0.564 1.00 13.21 C ATOM 806 CE2 PHE A 54 -5.344 1.866 2.872 1.00 42.11 C ATOM 807 CZ PHE A 54 -5.129 1.335 1.621 1.00 11.54 C ATOM 0 H PHE A 54 -10.013 5.650 3.133 1.00 51.33 H new ATOM 0 HA PHE A 54 -10.098 3.229 1.589 1.00 75.34 H new ATOM 0 HB2 PHE A 54 -8.320 4.871 1.333 1.00 42.44 H new ATOM 0 HB3 PHE A 54 -7.984 4.873 3.053 1.00 42.44 H new ATOM 0 HD1 PHE A 54 -7.548 2.943 -0.090 1.00 35.43 H new ATOM 0 HD2 PHE A 54 -6.528 3.190 4.054 1.00 54.34 H new ATOM 0 HE1 PHE A 54 -5.751 1.306 -0.417 1.00 13.21 H new ATOM 0 HE2 PHE A 54 -4.720 1.566 3.701 1.00 42.11 H new ATOM 0 HZ PHE A 54 -4.339 0.614 1.468 1.00 11.54 H new ATOM 817 N ALA A 55 -9.433 3.030 4.815 1.00 74.50 N ATOM 818 CA ALA A 55 -9.383 2.129 5.972 1.00 12.21 C ATOM 819 C ALA A 55 -10.743 1.454 6.242 1.00 50.22 C ATOM 820 O ALA A 55 -10.810 0.307 6.675 1.00 15.11 O ATOM 821 CB ALA A 55 -8.919 2.923 7.188 1.00 61.14 C ATOM 0 H ALA A 55 -9.238 4.005 5.043 1.00 74.50 H new ATOM 0 HA ALA A 55 -8.678 1.325 5.760 1.00 12.21 H new ATOM 0 HB1 ALA A 55 -8.877 2.266 8.057 1.00 61.14 H new ATOM 0 HB2 ALA A 55 -7.929 3.336 6.997 1.00 61.14 H new ATOM 0 HB3 ALA A 55 -9.620 3.735 7.381 1.00 61.14 H new ATOM 827 N LYS A 56 -11.801 2.192 5.928 1.00 20.13 N ATOM 828 CA LYS A 56 -13.195 1.802 6.152 1.00 33.32 C ATOM 829 C LYS A 56 -13.611 0.543 5.373 1.00 33.01 C ATOM 830 O LYS A 56 -14.139 -0.401 5.966 1.00 41.23 O ATOM 831 CB LYS A 56 -14.060 3.025 5.741 1.00 22.41 C ATOM 832 CG LYS A 56 -15.581 2.797 5.604 1.00 11.24 C ATOM 833 CD LYS A 56 -16.243 3.885 4.731 1.00 64.33 C ATOM 834 CE LYS A 56 -17.744 3.655 4.525 1.00 24.22 C ATOM 835 NZ LYS A 56 -18.034 2.375 3.829 1.00 71.22 N ATOM 0 H LYS A 56 -11.713 3.111 5.495 1.00 20.13 H new ATOM 0 HA LYS A 56 -13.336 1.536 7.200 1.00 33.32 H new ATOM 0 HB2 LYS A 56 -13.901 3.814 6.476 1.00 22.41 H new ATOM 0 HB3 LYS A 56 -13.687 3.398 4.787 1.00 22.41 H new ATOM 0 HG2 LYS A 56 -15.764 1.816 5.165 1.00 11.24 H new ATOM 0 HG3 LYS A 56 -16.040 2.794 6.593 1.00 11.24 H new ATOM 0 HD2 LYS A 56 -16.091 4.859 5.196 1.00 64.33 H new ATOM 0 HD3 LYS A 56 -15.749 3.915 3.760 1.00 64.33 H new ATOM 0 HE2 LYS A 56 -18.245 3.660 5.493 1.00 24.22 H new ATOM 0 HE3 LYS A 56 -18.159 4.481 3.947 1.00 24.22 H new ATOM 0 HZ1 LYS A 56 -19.052 2.314 3.624 1.00 71.22 H new ATOM 0 HZ2 LYS A 56 -17.498 2.335 2.939 1.00 71.22 H new ATOM 0 HZ3 LYS A 56 -17.755 1.578 4.437 1.00 71.22 H new ATOM 849 N GLU A 57 -13.397 0.547 4.045 1.00 73.43 N ATOM 850 CA GLU A 57 -13.942 -0.510 3.152 1.00 3.15 C ATOM 851 C GLU A 57 -12.867 -1.264 2.342 1.00 45.43 C ATOM 852 O GLU A 57 -13.097 -2.404 1.928 1.00 51.22 O ATOM 853 CB GLU A 57 -15.013 0.118 2.225 1.00 70.21 C ATOM 854 CG GLU A 57 -14.572 1.400 1.511 1.00 15.11 C ATOM 855 CD GLU A 57 -15.656 1.960 0.578 1.00 64.01 C ATOM 856 OE1 GLU A 57 -16.705 2.427 1.088 1.00 34.44 O ATOM 857 OE2 GLU A 57 -15.462 1.946 -0.656 1.00 41.34 O ATOM 0 H GLU A 57 -12.855 1.263 3.562 1.00 73.43 H new ATOM 0 HA GLU A 57 -14.394 -1.272 3.787 1.00 3.15 H new ATOM 0 HB2 GLU A 57 -15.301 -0.618 1.475 1.00 70.21 H new ATOM 0 HB3 GLU A 57 -15.903 0.336 2.816 1.00 70.21 H new ATOM 0 HG2 GLU A 57 -14.312 2.154 2.254 1.00 15.11 H new ATOM 0 HG3 GLU A 57 -13.670 1.198 0.933 1.00 15.11 H new ATOM 864 N VAL A 58 -11.700 -0.656 2.154 1.00 45.22 N ATOM 865 CA VAL A 58 -10.619 -1.219 1.310 1.00 54.14 C ATOM 866 C VAL A 58 -9.725 -2.186 2.131 1.00 54.54 C ATOM 867 O VAL A 58 -9.379 -3.295 1.669 1.00 70.22 O ATOM 868 CB VAL A 58 -9.768 -0.050 0.712 1.00 72.25 C ATOM 869 CG1 VAL A 58 -8.596 -0.564 -0.118 1.00 24.25 C ATOM 870 CG2 VAL A 58 -10.657 0.920 -0.104 1.00 53.04 C ATOM 0 H VAL A 58 -11.464 0.242 2.577 1.00 45.22 H new ATOM 0 HA VAL A 58 -11.063 -1.792 0.496 1.00 54.14 H new ATOM 0 HB VAL A 58 -9.344 0.505 1.548 1.00 72.25 H new ATOM 0 HG11 VAL A 58 -8.032 0.281 -0.514 1.00 24.25 H new ATOM 0 HG12 VAL A 58 -7.945 -1.173 0.510 1.00 24.25 H new ATOM 0 HG13 VAL A 58 -8.972 -1.168 -0.944 1.00 24.25 H new ATOM 0 HG21 VAL A 58 -10.042 1.724 -0.509 1.00 53.04 H new ATOM 0 HG22 VAL A 58 -11.131 0.378 -0.922 1.00 53.04 H new ATOM 0 HG23 VAL A 58 -11.425 1.342 0.544 1.00 53.04 H new ATOM 880 N LEU A 59 -9.358 -1.751 3.352 1.00 73.44 N ATOM 881 CA LEU A 59 -8.558 -2.574 4.277 1.00 51.30 C ATOM 882 C LEU A 59 -9.295 -3.879 4.706 1.00 70.11 C ATOM 883 O LEU A 59 -8.693 -4.933 4.642 1.00 12.20 O ATOM 884 CB LEU A 59 -8.075 -1.764 5.518 1.00 43.23 C ATOM 885 CG LEU A 59 -6.950 -0.716 5.259 1.00 25.10 C ATOM 886 CD1 LEU A 59 -6.453 -0.123 6.591 1.00 60.23 C ATOM 887 CD2 LEU A 59 -5.785 -1.319 4.451 1.00 22.53 C ATOM 0 H LEU A 59 -9.604 -0.832 3.720 1.00 73.44 H new ATOM 0 HA LEU A 59 -7.672 -2.877 3.719 1.00 51.30 H new ATOM 0 HB2 LEU A 59 -8.934 -1.246 5.945 1.00 43.23 H new ATOM 0 HB3 LEU A 59 -7.721 -2.468 6.271 1.00 43.23 H new ATOM 0 HG LEU A 59 -7.374 0.089 4.658 1.00 25.10 H new ATOM 0 HD11 LEU A 59 -5.668 0.607 6.394 1.00 60.23 H new ATOM 0 HD12 LEU A 59 -7.282 0.365 7.104 1.00 60.23 H new ATOM 0 HD13 LEU A 59 -6.057 -0.921 7.219 1.00 60.23 H new ATOM 0 HD21 LEU A 59 -5.021 -0.558 4.291 1.00 22.53 H new ATOM 0 HD22 LEU A 59 -5.354 -2.155 5.002 1.00 22.53 H new ATOM 0 HD23 LEU A 59 -6.154 -1.671 3.488 1.00 22.53 H new ATOM 899 N PRO A 60 -10.603 -3.858 5.157 1.00 2.54 N ATOM 900 CA PRO A 60 -11.353 -5.119 5.477 1.00 1.01 C ATOM 901 C PRO A 60 -11.652 -5.988 4.226 1.00 22.41 C ATOM 902 O PRO A 60 -12.073 -7.145 4.362 1.00 64.11 O ATOM 903 CB PRO A 60 -12.657 -4.598 6.138 1.00 23.33 C ATOM 904 CG PRO A 60 -12.833 -3.224 5.579 1.00 62.24 C ATOM 905 CD PRO A 60 -11.441 -2.662 5.448 1.00 21.20 C ATOM 0 HA PRO A 60 -10.776 -5.785 6.119 1.00 1.01 H new ATOM 0 HB2 PRO A 60 -13.507 -5.237 5.898 1.00 23.33 H new ATOM 0 HB3 PRO A 60 -12.571 -4.577 7.224 1.00 23.33 H new ATOM 0 HG2 PRO A 60 -13.336 -3.255 4.613 1.00 62.24 H new ATOM 0 HG3 PRO A 60 -13.445 -2.608 6.238 1.00 62.24 H new ATOM 0 HD2 PRO A 60 -11.380 -1.926 4.646 1.00 21.20 H new ATOM 0 HD3 PRO A 60 -11.123 -2.163 6.363 1.00 21.20 H new ATOM 913 N LYS A 61 -11.466 -5.404 3.028 1.00 23.21 N ATOM 914 CA LYS A 61 -11.638 -6.113 1.748 1.00 3.33 C ATOM 915 C LYS A 61 -10.473 -7.090 1.507 1.00 72.12 C ATOM 916 O LYS A 61 -10.694 -8.285 1.252 1.00 73.41 O ATOM 917 CB LYS A 61 -11.751 -5.090 0.588 1.00 3.11 C ATOM 918 CG LYS A 61 -12.052 -5.690 -0.804 1.00 71.44 C ATOM 919 CD LYS A 61 -12.114 -4.607 -1.913 1.00 4.45 C ATOM 920 CE LYS A 61 -12.411 -5.201 -3.304 1.00 63.43 C ATOM 921 NZ LYS A 61 -12.359 -4.168 -4.377 1.00 3.44 N ATOM 0 H LYS A 61 -11.192 -4.427 2.921 1.00 23.21 H new ATOM 0 HA LYS A 61 -12.559 -6.695 1.789 1.00 3.33 H new ATOM 0 HB2 LYS A 61 -12.536 -4.375 0.833 1.00 3.11 H new ATOM 0 HB3 LYS A 61 -10.817 -4.530 0.529 1.00 3.11 H new ATOM 0 HG2 LYS A 61 -11.283 -6.421 -1.056 1.00 71.44 H new ATOM 0 HG3 LYS A 61 -13.001 -6.225 -0.769 1.00 71.44 H new ATOM 0 HD2 LYS A 61 -12.884 -3.878 -1.661 1.00 4.45 H new ATOM 0 HD3 LYS A 61 -11.166 -4.071 -1.946 1.00 4.45 H new ATOM 0 HE2 LYS A 61 -11.689 -5.988 -3.523 1.00 63.43 H new ATOM 0 HE3 LYS A 61 -13.397 -5.666 -3.296 1.00 63.43 H new ATOM 0 HZ1 LYS A 61 -12.789 -4.547 -5.245 1.00 3.44 H new ATOM 0 HZ2 LYS A 61 -12.883 -3.323 -4.071 1.00 3.44 H new ATOM 0 HZ3 LYS A 61 -11.369 -3.912 -4.565 1.00 3.44 H new ATOM 935 N TYR A 62 -9.226 -6.580 1.569 1.00 52.11 N ATOM 936 CA TYR A 62 -8.016 -7.421 1.334 1.00 13.14 C ATOM 937 C TYR A 62 -7.449 -7.997 2.637 1.00 4.31 C ATOM 938 O TYR A 62 -7.085 -9.183 2.704 1.00 14.32 O ATOM 939 CB TYR A 62 -6.936 -6.635 0.543 1.00 74.10 C ATOM 940 CG TYR A 62 -7.285 -6.531 -0.943 1.00 13.34 C ATOM 941 CD1 TYR A 62 -8.295 -5.680 -1.384 1.00 12.32 C ATOM 942 CD2 TYR A 62 -6.648 -7.332 -1.898 1.00 11.40 C ATOM 943 CE1 TYR A 62 -8.649 -5.616 -2.718 1.00 51.13 C ATOM 944 CE2 TYR A 62 -7.010 -7.279 -3.228 1.00 21.43 C ATOM 945 CZ TYR A 62 -8.005 -6.420 -3.635 1.00 72.11 C ATOM 946 OH TYR A 62 -8.377 -6.389 -4.955 1.00 11.43 O ATOM 0 H TYR A 62 -9.023 -5.602 1.777 1.00 52.11 H new ATOM 0 HA TYR A 62 -8.327 -8.270 0.725 1.00 13.14 H new ATOM 0 HB2 TYR A 62 -6.833 -5.635 0.963 1.00 74.10 H new ATOM 0 HB3 TYR A 62 -5.971 -7.129 0.656 1.00 74.10 H new ATOM 0 HD1 TYR A 62 -8.812 -5.057 -0.669 1.00 12.32 H new ATOM 0 HD2 TYR A 62 -5.860 -8.003 -1.588 1.00 11.40 H new ATOM 0 HE1 TYR A 62 -9.426 -4.940 -3.041 1.00 51.13 H new ATOM 0 HE2 TYR A 62 -6.513 -7.911 -3.949 1.00 21.43 H new ATOM 0 HH TYR A 62 -7.822 -7.015 -5.466 1.00 11.43 H new ATOM 956 N PHE A 63 -7.382 -7.158 3.655 1.00 53.02 N ATOM 957 CA PHE A 63 -6.841 -7.525 4.979 1.00 53.55 C ATOM 958 C PHE A 63 -8.010 -7.856 5.936 1.00 51.30 C ATOM 959 O PHE A 63 -9.173 -7.839 5.519 1.00 72.33 O ATOM 960 CB PHE A 63 -5.952 -6.362 5.502 1.00 63.41 C ATOM 961 CG PHE A 63 -4.911 -5.900 4.472 1.00 64.12 C ATOM 962 CD1 PHE A 63 -3.732 -6.615 4.261 1.00 52.52 C ATOM 963 CD2 PHE A 63 -5.135 -4.767 3.682 1.00 62.31 C ATOM 964 CE1 PHE A 63 -2.812 -6.206 3.305 1.00 31.52 C ATOM 965 CE2 PHE A 63 -4.215 -4.366 2.727 1.00 54.03 C ATOM 966 CZ PHE A 63 -3.055 -5.084 2.542 1.00 40.23 C ATOM 0 H PHE A 63 -7.701 -6.191 3.599 1.00 53.02 H new ATOM 0 HA PHE A 63 -6.215 -8.415 4.912 1.00 53.55 H new ATOM 0 HB2 PHE A 63 -6.587 -5.519 5.773 1.00 63.41 H new ATOM 0 HB3 PHE A 63 -5.441 -6.681 6.410 1.00 63.41 H new ATOM 0 HD1 PHE A 63 -3.532 -7.499 4.849 1.00 52.52 H new ATOM 0 HD2 PHE A 63 -6.041 -4.195 3.819 1.00 62.31 H new ATOM 0 HE1 PHE A 63 -1.902 -6.769 3.159 1.00 31.52 H new ATOM 0 HE2 PHE A 63 -4.408 -3.489 2.127 1.00 54.03 H new ATOM 0 HZ PHE A 63 -2.336 -4.769 1.800 1.00 40.23 H new ATOM 976 N LYS A 64 -7.709 -8.154 7.213 1.00 52.20 N ATOM 977 CA LYS A 64 -8.730 -8.602 8.201 1.00 3.01 C ATOM 978 C LYS A 64 -8.922 -7.549 9.323 1.00 42.13 C ATOM 979 O LYS A 64 -9.147 -7.888 10.491 1.00 72.51 O ATOM 980 CB LYS A 64 -8.357 -10.039 8.741 1.00 13.12 C ATOM 981 CG LYS A 64 -6.851 -10.301 9.021 1.00 64.35 C ATOM 982 CD LYS A 64 -6.277 -9.508 10.220 1.00 50.55 C ATOM 983 CE LYS A 64 -4.778 -9.778 10.432 1.00 72.21 C ATOM 984 NZ LYS A 64 -4.235 -9.052 11.614 1.00 3.24 N ATOM 0 H LYS A 64 -6.765 -8.095 7.594 1.00 52.20 H new ATOM 0 HA LYS A 64 -9.700 -8.687 7.712 1.00 3.01 H new ATOM 0 HB2 LYS A 64 -8.911 -10.212 9.663 1.00 13.12 H new ATOM 0 HB3 LYS A 64 -8.704 -10.777 8.017 1.00 13.12 H new ATOM 0 HG2 LYS A 64 -6.708 -11.366 9.203 1.00 64.35 H new ATOM 0 HG3 LYS A 64 -6.279 -10.051 8.128 1.00 64.35 H new ATOM 0 HD2 LYS A 64 -6.433 -8.442 10.056 1.00 50.55 H new ATOM 0 HD3 LYS A 64 -6.824 -9.774 11.125 1.00 50.55 H new ATOM 0 HE2 LYS A 64 -4.619 -10.849 10.561 1.00 72.21 H new ATOM 0 HE3 LYS A 64 -4.227 -9.479 9.540 1.00 72.21 H new ATOM 0 HZ1 LYS A 64 -3.222 -9.265 11.717 1.00 3.24 H new ATOM 0 HZ2 LYS A 64 -4.362 -8.028 11.481 1.00 3.24 H new ATOM 0 HZ3 LYS A 64 -4.741 -9.355 12.470 1.00 3.24 H new ATOM 998 N HIS A 65 -8.907 -6.261 8.920 1.00 24.22 N ATOM 999 CA HIS A 65 -8.994 -5.111 9.839 1.00 41.23 C ATOM 1000 C HIS A 65 -9.414 -3.859 9.067 1.00 1.43 C ATOM 1001 O HIS A 65 -9.256 -3.797 7.851 1.00 32.43 O ATOM 1002 CB HIS A 65 -7.634 -4.844 10.553 1.00 53.33 C ATOM 1003 CG HIS A 65 -6.477 -4.551 9.610 1.00 11.01 C ATOM 1004 ND1 HIS A 65 -6.117 -3.276 9.208 1.00 32.20 N ATOM 1005 CD2 HIS A 65 -5.604 -5.386 8.984 1.00 22.52 C ATOM 1006 CE1 HIS A 65 -5.080 -3.347 8.393 1.00 12.22 C ATOM 1007 NE2 HIS A 65 -4.749 -4.612 8.238 1.00 5.03 N ATOM 0 H HIS A 65 -8.834 -5.990 7.939 1.00 24.22 H new ATOM 0 HA HIS A 65 -9.739 -5.349 10.599 1.00 41.23 H new ATOM 0 HB2 HIS A 65 -7.754 -4.001 11.234 1.00 53.33 H new ATOM 0 HB3 HIS A 65 -7.380 -5.712 11.161 1.00 53.33 H new ATOM 0 HD1 HIS A 65 -6.581 -2.415 9.497 1.00 32.20 H new ATOM 0 HD2 HIS A 65 -5.586 -6.463 9.060 1.00 22.52 H new ATOM 0 HE1 HIS A 65 -4.585 -2.506 7.930 1.00 12.22 H new ATOM 1016 N ASN A 66 -9.888 -2.850 9.813 1.00 45.53 N ATOM 1017 CA ASN A 66 -10.221 -1.515 9.265 1.00 21.23 C ATOM 1018 C ASN A 66 -9.141 -0.514 9.718 1.00 53.13 C ATOM 1019 O ASN A 66 -8.906 0.477 9.055 1.00 31.22 O ATOM 1020 CB ASN A 66 -11.624 -1.003 9.712 1.00 24.44 C ATOM 1021 CG ASN A 66 -12.743 -2.025 9.524 1.00 50.31 C ATOM 1022 OD1 ASN A 66 -13.490 -1.923 8.435 1.00 15.10 O flip ATOM 1023 ND2 ASN A 66 -12.945 -2.891 10.373 1.00 51.03 N flip ATOM 0 H ASN A 66 -10.054 -2.931 10.816 1.00 45.53 H new ATOM 0 HA ASN A 66 -10.251 -1.603 8.179 1.00 21.23 H new ATOM 0 HB2 ASN A 66 -11.578 -0.718 10.763 1.00 24.44 H new ATOM 0 HB3 ASN A 66 -11.868 -0.103 9.148 1.00 24.44 H new ATOM 0 HD21 ASN A 66 -12.351 -2.942 11.201 1.00 51.03 H new ATOM 0 HD22 ASN A 66 -13.707 -3.558 10.250 1.00 51.03 H new ATOM 1030 N ASN A 67 -8.489 -0.807 10.865 1.00 22.54 N ATOM 1031 CA ASN A 67 -7.465 0.066 11.485 1.00 2.00 C ATOM 1032 C ASN A 67 -6.255 0.276 10.546 1.00 64.22 C ATOM 1033 O ASN A 67 -5.532 -0.678 10.231 1.00 41.10 O ATOM 1034 CB ASN A 67 -7.023 -0.555 12.842 1.00 22.12 C ATOM 1035 CG ASN A 67 -5.968 0.276 13.578 1.00 35.03 C ATOM 1036 OD1 ASN A 67 -4.777 -0.001 13.503 1.00 1.12 O ATOM 1037 ND2 ASN A 67 -6.394 1.315 14.266 1.00 32.14 N ATOM 0 H ASN A 67 -8.660 -1.664 11.392 1.00 22.54 H new ATOM 0 HA ASN A 67 -7.899 1.050 11.663 1.00 2.00 H new ATOM 0 HB2 ASN A 67 -7.897 -0.668 13.483 1.00 22.12 H new ATOM 0 HB3 ASN A 67 -6.627 -1.555 12.663 1.00 22.12 H new ATOM 0 HD21 ASN A 67 -5.726 1.912 14.753 1.00 32.14 H new ATOM 0 HD22 ASN A 67 -7.392 1.522 14.311 1.00 32.14 H new ATOM 1044 N MET A 68 -6.052 1.536 10.109 1.00 4.31 N ATOM 1045 CA MET A 68 -4.977 1.891 9.159 1.00 23.34 C ATOM 1046 C MET A 68 -3.638 2.096 9.883 1.00 55.35 C ATOM 1047 O MET A 68 -2.577 2.013 9.260 1.00 51.35 O ATOM 1048 CB MET A 68 -5.342 3.137 8.304 1.00 53.13 C ATOM 1049 CG MET A 68 -4.375 3.386 7.151 1.00 62.41 C ATOM 1050 SD MET A 68 -4.874 4.738 6.089 1.00 75.12 S ATOM 1051 CE MET A 68 -3.622 4.589 4.829 1.00 43.02 C ATOM 0 H MET A 68 -6.623 2.329 10.401 1.00 4.31 H new ATOM 0 HA MET A 68 -4.867 1.049 8.475 1.00 23.34 H new ATOM 0 HB2 MET A 68 -6.348 3.012 7.904 1.00 53.13 H new ATOM 0 HB3 MET A 68 -5.362 4.017 8.948 1.00 53.13 H new ATOM 0 HG2 MET A 68 -3.385 3.597 7.555 1.00 62.41 H new ATOM 0 HG3 MET A 68 -4.289 2.477 6.555 1.00 62.41 H new ATOM 0 HE1 MET A 68 -3.163 5.562 4.655 1.00 43.02 H new ATOM 0 HE2 MET A 68 -2.860 3.881 5.155 1.00 43.02 H new ATOM 0 HE3 MET A 68 -4.077 4.232 3.905 1.00 43.02 H new ATOM 1061 N ALA A 69 -3.690 2.345 11.202 1.00 62.31 N ATOM 1062 CA ALA A 69 -2.478 2.406 12.043 1.00 72.45 C ATOM 1063 C ALA A 69 -1.693 1.078 11.959 1.00 23.33 C ATOM 1064 O ALA A 69 -0.463 1.078 11.934 1.00 52.02 O ATOM 1065 CB ALA A 69 -2.857 2.735 13.490 1.00 71.15 C ATOM 0 H ALA A 69 -4.558 2.508 11.712 1.00 62.31 H new ATOM 0 HA ALA A 69 -1.830 3.200 11.672 1.00 72.45 H new ATOM 0 HB1 ALA A 69 -1.956 2.778 14.102 1.00 71.15 H new ATOM 0 HB2 ALA A 69 -3.364 3.699 13.523 1.00 71.15 H new ATOM 0 HB3 ALA A 69 -3.522 1.962 13.877 1.00 71.15 H new ATOM 1071 N SER A 70 -2.447 -0.033 11.868 1.00 5.45 N ATOM 1072 CA SER A 70 -1.907 -1.376 11.624 1.00 12.11 C ATOM 1073 C SER A 70 -1.225 -1.447 10.245 1.00 45.11 C ATOM 1074 O SER A 70 -0.058 -1.808 10.155 1.00 4.52 O ATOM 1075 CB SER A 70 -3.045 -2.415 11.709 1.00 21.45 C ATOM 1076 OG SER A 70 -2.563 -3.731 11.529 1.00 31.01 O ATOM 0 H SER A 70 -3.462 -0.019 11.964 1.00 5.45 H new ATOM 0 HA SER A 70 -1.159 -1.597 12.385 1.00 12.11 H new ATOM 0 HB2 SER A 70 -3.538 -2.337 12.678 1.00 21.45 H new ATOM 0 HB3 SER A 70 -3.796 -2.195 10.951 1.00 21.45 H new ATOM 0 HG SER A 70 -3.309 -4.364 11.590 1.00 31.01 H new ATOM 1082 N PHE A 71 -1.965 -1.010 9.201 1.00 71.24 N ATOM 1083 CA PHE A 71 -1.541 -1.102 7.784 1.00 3.54 C ATOM 1084 C PHE A 71 -0.203 -0.368 7.549 1.00 35.44 C ATOM 1085 O PHE A 71 0.765 -0.959 7.051 1.00 53.54 O ATOM 1086 CB PHE A 71 -2.663 -0.503 6.884 1.00 65.24 C ATOM 1087 CG PHE A 71 -2.313 -0.358 5.400 1.00 65.22 C ATOM 1088 CD1 PHE A 71 -2.216 -1.476 4.573 1.00 22.31 C ATOM 1089 CD2 PHE A 71 -2.088 0.901 4.833 1.00 44.44 C ATOM 1090 CE1 PHE A 71 -1.906 -1.341 3.232 1.00 0.43 C ATOM 1091 CE2 PHE A 71 -1.778 1.033 3.492 1.00 41.13 C ATOM 1092 CZ PHE A 71 -1.686 -0.089 2.693 1.00 51.22 C ATOM 0 H PHE A 71 -2.882 -0.579 9.319 1.00 71.24 H new ATOM 0 HA PHE A 71 -1.382 -2.149 7.527 1.00 3.54 H new ATOM 0 HB2 PHE A 71 -3.548 -1.133 6.970 1.00 65.24 H new ATOM 0 HB3 PHE A 71 -2.931 0.479 7.273 1.00 65.24 H new ATOM 0 HD1 PHE A 71 -2.385 -2.460 4.985 1.00 22.31 H new ATOM 0 HD2 PHE A 71 -2.157 1.783 5.452 1.00 44.44 H new ATOM 0 HE1 PHE A 71 -1.836 -2.217 2.605 1.00 0.43 H new ATOM 0 HE2 PHE A 71 -1.608 2.013 3.070 1.00 41.13 H new ATOM 0 HZ PHE A 71 -1.442 0.013 1.646 1.00 51.22 H new ATOM 1102 N VAL A 72 -0.174 0.919 7.933 1.00 71.33 N ATOM 1103 CA VAL A 72 1.009 1.778 7.803 1.00 24.43 C ATOM 1104 C VAL A 72 2.174 1.259 8.687 1.00 5.43 C ATOM 1105 O VAL A 72 3.321 1.291 8.245 1.00 62.11 O ATOM 1106 CB VAL A 72 0.662 3.279 8.145 1.00 13.13 C ATOM 1107 CG1 VAL A 72 1.883 4.211 7.950 1.00 12.41 C ATOM 1108 CG2 VAL A 72 -0.543 3.777 7.304 1.00 22.35 C ATOM 0 H VAL A 72 -0.978 1.393 8.345 1.00 71.33 H new ATOM 0 HA VAL A 72 1.336 1.741 6.764 1.00 24.43 H new ATOM 0 HB VAL A 72 0.386 3.313 9.199 1.00 13.13 H new ATOM 0 HG11 VAL A 72 1.602 5.235 8.196 1.00 12.41 H new ATOM 0 HG12 VAL A 72 2.694 3.890 8.604 1.00 12.41 H new ATOM 0 HG13 VAL A 72 2.214 4.165 6.913 1.00 12.41 H new ATOM 0 HG21 VAL A 72 -0.761 4.814 7.559 1.00 22.35 H new ATOM 0 HG22 VAL A 72 -0.300 3.708 6.244 1.00 22.35 H new ATOM 0 HG23 VAL A 72 -1.416 3.160 7.517 1.00 22.35 H new ATOM 1118 N ARG A 73 1.865 0.741 9.910 1.00 52.12 N ATOM 1119 CA ARG A 73 2.896 0.169 10.820 1.00 14.33 C ATOM 1120 C ARG A 73 3.637 -1.007 10.160 1.00 45.25 C ATOM 1121 O ARG A 73 4.869 -1.096 10.254 1.00 44.33 O ATOM 1122 CB ARG A 73 2.282 -0.328 12.158 1.00 61.44 C ATOM 1123 CG ARG A 73 3.308 -0.958 13.135 1.00 75.32 C ATOM 1124 CD ARG A 73 2.659 -1.739 14.288 1.00 72.43 C ATOM 1125 NE ARG A 73 3.663 -2.512 15.043 1.00 2.25 N ATOM 1126 CZ ARG A 73 4.139 -3.725 14.697 1.00 51.03 C ATOM 1127 NH1 ARG A 73 3.716 -4.344 13.608 1.00 12.24 N ATOM 1128 NH2 ARG A 73 5.043 -4.321 15.457 1.00 75.44 N ATOM 0 H ARG A 73 0.917 0.709 10.285 1.00 52.12 H new ATOM 0 HA ARG A 73 3.596 0.978 11.027 1.00 14.33 H new ATOM 0 HB2 ARG A 73 1.793 0.511 12.654 1.00 61.44 H new ATOM 0 HB3 ARG A 73 1.508 -1.063 11.938 1.00 61.44 H new ATOM 0 HG2 ARG A 73 3.964 -1.627 12.578 1.00 75.32 H new ATOM 0 HG3 ARG A 73 3.935 -0.168 13.549 1.00 75.32 H new ATOM 0 HD2 ARG A 73 2.151 -1.046 14.959 1.00 72.43 H new ATOM 0 HD3 ARG A 73 1.900 -2.414 13.891 1.00 72.43 H new ATOM 0 HE ARG A 73 4.028 -2.094 15.899 1.00 2.25 H new ATOM 0 HH11 ARG A 73 3.016 -3.904 13.011 1.00 12.24 H new ATOM 0 HH12 ARG A 73 4.090 -5.261 13.365 1.00 12.24 H new ATOM 0 HH21 ARG A 73 5.379 -3.863 16.304 1.00 75.44 H new ATOM 0 HH22 ARG A 73 5.404 -5.239 15.196 1.00 75.44 H new ATOM 1142 N GLN A 74 2.872 -1.901 9.493 1.00 71.30 N ATOM 1143 CA GLN A 74 3.443 -3.079 8.814 1.00 21.23 C ATOM 1144 C GLN A 74 4.400 -2.621 7.704 1.00 64.14 C ATOM 1145 O GLN A 74 5.511 -3.139 7.592 1.00 74.42 O ATOM 1146 CB GLN A 74 2.348 -4.001 8.214 1.00 42.25 C ATOM 1147 CG GLN A 74 1.248 -4.476 9.190 1.00 12.23 C ATOM 1148 CD GLN A 74 1.760 -5.116 10.483 1.00 4.34 C ATOM 1149 OE1 GLN A 74 1.951 -4.438 11.495 1.00 3.45 O ATOM 1150 NE2 GLN A 74 1.980 -6.420 10.457 1.00 72.33 N ATOM 0 H GLN A 74 1.858 -1.826 9.412 1.00 71.30 H new ATOM 0 HA GLN A 74 3.984 -3.659 9.562 1.00 21.23 H new ATOM 0 HB2 GLN A 74 1.870 -3.473 7.389 1.00 42.25 H new ATOM 0 HB3 GLN A 74 2.834 -4.880 7.791 1.00 42.25 H new ATOM 0 HG2 GLN A 74 0.620 -3.623 9.449 1.00 12.23 H new ATOM 0 HG3 GLN A 74 0.612 -5.195 8.674 1.00 12.23 H new ATOM 0 HE21 GLN A 74 1.811 -6.949 9.601 1.00 72.33 H new ATOM 0 HE22 GLN A 74 2.319 -6.897 11.293 1.00 72.33 H new ATOM 1159 N LEU A 75 3.957 -1.605 6.925 1.00 10.30 N ATOM 1160 CA LEU A 75 4.762 -0.985 5.852 1.00 60.41 C ATOM 1161 C LEU A 75 6.071 -0.387 6.400 1.00 3.44 C ATOM 1162 O LEU A 75 7.117 -0.539 5.785 1.00 62.21 O ATOM 1163 CB LEU A 75 3.933 0.108 5.116 1.00 12.11 C ATOM 1164 CG LEU A 75 2.703 -0.410 4.305 1.00 73.53 C ATOM 1165 CD1 LEU A 75 1.891 0.756 3.713 1.00 23.22 C ATOM 1166 CD2 LEU A 75 3.136 -1.395 3.195 1.00 55.53 C ATOM 0 H LEU A 75 3.029 -1.194 7.026 1.00 10.30 H new ATOM 0 HA LEU A 75 5.027 -1.768 5.141 1.00 60.41 H new ATOM 0 HB2 LEU A 75 3.582 0.830 5.853 1.00 12.11 H new ATOM 0 HB3 LEU A 75 4.595 0.644 4.435 1.00 12.11 H new ATOM 0 HG LEU A 75 2.059 -0.949 5.000 1.00 73.53 H new ATOM 0 HD11 LEU A 75 1.042 0.362 3.155 1.00 23.22 H new ATOM 0 HD12 LEU A 75 1.530 1.394 4.519 1.00 23.22 H new ATOM 0 HD13 LEU A 75 2.525 1.339 3.045 1.00 23.22 H new ATOM 0 HD21 LEU A 75 2.257 -1.737 2.649 1.00 55.53 H new ATOM 0 HD22 LEU A 75 3.817 -0.893 2.508 1.00 55.53 H new ATOM 0 HD23 LEU A 75 3.640 -2.251 3.644 1.00 55.53 H new ATOM 1178 N ASN A 76 5.989 0.268 7.573 1.00 43.51 N ATOM 1179 CA ASN A 76 7.166 0.825 8.287 1.00 50.35 C ATOM 1180 C ASN A 76 8.167 -0.292 8.672 1.00 33.42 C ATOM 1181 O ASN A 76 9.384 -0.091 8.581 1.00 63.41 O ATOM 1182 CB ASN A 76 6.719 1.617 9.548 1.00 73.12 C ATOM 1183 CG ASN A 76 5.857 2.843 9.220 1.00 64.34 C ATOM 1184 OD1 ASN A 76 6.055 3.513 8.203 1.00 10.11 O ATOM 1185 ND2 ASN A 76 4.877 3.134 10.069 1.00 73.42 N ATOM 0 H ASN A 76 5.106 0.429 8.058 1.00 43.51 H new ATOM 0 HA ASN A 76 7.673 1.512 7.610 1.00 50.35 H new ATOM 0 HB2 ASN A 76 6.159 0.953 10.206 1.00 73.12 H new ATOM 0 HB3 ASN A 76 7.603 1.940 10.098 1.00 73.12 H new ATOM 0 HD21 ASN A 76 4.265 3.929 9.888 1.00 73.42 H new ATOM 0 HD22 ASN A 76 4.737 2.562 10.902 1.00 73.42 H new ATOM 1192 N MET A 77 7.639 -1.475 9.066 1.00 32.20 N ATOM 1193 CA MET A 77 8.472 -2.677 9.340 1.00 51.45 C ATOM 1194 C MET A 77 9.084 -3.218 8.038 1.00 14.52 C ATOM 1195 O MET A 77 10.191 -3.750 8.044 1.00 54.42 O ATOM 1196 CB MET A 77 7.661 -3.812 10.027 1.00 71.41 C ATOM 1197 CG MET A 77 7.046 -3.457 11.381 1.00 40.21 C ATOM 1198 SD MET A 77 6.446 -4.917 12.277 1.00 75.12 S ATOM 1199 CE MET A 77 5.419 -5.739 11.047 1.00 70.20 C ATOM 0 H MET A 77 6.639 -1.626 9.202 1.00 32.20 H new ATOM 0 HA MET A 77 9.262 -2.360 10.021 1.00 51.45 H new ATOM 0 HB2 MET A 77 6.861 -4.121 9.354 1.00 71.41 H new ATOM 0 HB3 MET A 77 8.316 -4.673 10.160 1.00 71.41 H new ATOM 0 HG2 MET A 77 7.789 -2.941 11.990 1.00 40.21 H new ATOM 0 HG3 MET A 77 6.220 -2.762 11.230 1.00 40.21 H new ATOM 0 HE1 MET A 77 5.067 -6.691 11.445 1.00 70.20 H new ATOM 0 HE2 MET A 77 4.564 -5.107 10.806 1.00 70.20 H new ATOM 0 HE3 MET A 77 6.004 -5.917 10.145 1.00 70.20 H new ATOM 1209 N TYR A 78 8.343 -3.046 6.927 1.00 10.25 N ATOM 1210 CA TYR A 78 8.767 -3.473 5.578 1.00 71.54 C ATOM 1211 C TYR A 78 9.720 -2.428 4.933 1.00 33.00 C ATOM 1212 O TYR A 78 10.232 -2.646 3.826 1.00 33.34 O ATOM 1213 CB TYR A 78 7.524 -3.704 4.670 1.00 14.13 C ATOM 1214 CG TYR A 78 6.726 -4.998 4.919 1.00 13.13 C ATOM 1215 CD1 TYR A 78 7.320 -6.256 4.789 1.00 2.41 C ATOM 1216 CD2 TYR A 78 5.365 -4.961 5.225 1.00 45.44 C ATOM 1217 CE1 TYR A 78 6.583 -7.418 4.961 1.00 51.04 C ATOM 1218 CE2 TYR A 78 4.634 -6.118 5.409 1.00 52.41 C ATOM 1219 CZ TYR A 78 5.242 -7.338 5.273 1.00 34.44 C ATOM 1220 OH TYR A 78 4.499 -8.488 5.438 1.00 71.32 O ATOM 0 H TYR A 78 7.424 -2.603 6.940 1.00 10.25 H new ATOM 0 HA TYR A 78 9.313 -4.412 5.676 1.00 71.54 H new ATOM 0 HB2 TYR A 78 6.849 -2.857 4.793 1.00 14.13 H new ATOM 0 HB3 TYR A 78 7.854 -3.701 3.631 1.00 14.13 H new ATOM 0 HD1 TYR A 78 8.371 -6.325 4.550 1.00 2.41 H new ATOM 0 HD2 TYR A 78 4.872 -4.005 5.320 1.00 45.44 H new ATOM 0 HE1 TYR A 78 7.057 -8.382 4.851 1.00 51.04 H new ATOM 0 HE2 TYR A 78 3.585 -6.061 5.660 1.00 52.41 H new ATOM 0 HH TYR A 78 3.773 -8.320 6.074 1.00 71.32 H new ATOM 1230 N GLY A 79 9.941 -1.298 5.629 1.00 10.40 N ATOM 1231 CA GLY A 79 10.889 -0.273 5.187 1.00 32.13 C ATOM 1232 C GLY A 79 10.328 0.699 4.152 1.00 51.12 C ATOM 1233 O GLY A 79 11.099 1.425 3.519 1.00 71.23 O ATOM 0 H GLY A 79 9.469 -1.076 6.506 1.00 10.40 H new ATOM 0 HA2 GLY A 79 11.224 0.294 6.056 1.00 32.13 H new ATOM 0 HA3 GLY A 79 11.767 -0.764 4.768 1.00 32.13 H new ATOM 1237 N PHE A 80 8.991 0.732 3.984 1.00 41.22 N ATOM 1238 CA PHE A 80 8.325 1.659 3.040 1.00 42.04 C ATOM 1239 C PHE A 80 8.374 3.081 3.610 1.00 11.15 C ATOM 1240 O PHE A 80 8.022 3.300 4.773 1.00 75.11 O ATOM 1241 CB PHE A 80 6.851 1.243 2.774 1.00 52.41 C ATOM 1242 CG PHE A 80 6.695 0.063 1.815 1.00 14.05 C ATOM 1243 CD1 PHE A 80 6.973 -1.239 2.224 1.00 44.13 C ATOM 1244 CD2 PHE A 80 6.265 0.260 0.501 1.00 2.20 C ATOM 1245 CE1 PHE A 80 6.822 -2.308 1.355 1.00 70.11 C ATOM 1246 CE2 PHE A 80 6.117 -0.808 -0.363 1.00 52.33 C ATOM 1247 CZ PHE A 80 6.395 -2.091 0.065 1.00 22.43 C ATOM 0 H PHE A 80 8.347 0.125 4.491 1.00 41.22 H new ATOM 0 HA PHE A 80 8.855 1.620 2.088 1.00 42.04 H new ATOM 0 HB2 PHE A 80 6.380 0.989 3.724 1.00 52.41 H new ATOM 0 HB3 PHE A 80 6.311 2.099 2.369 1.00 52.41 H new ATOM 0 HD1 PHE A 80 7.311 -1.418 3.234 1.00 44.13 H new ATOM 0 HD2 PHE A 80 6.045 1.260 0.156 1.00 2.20 H new ATOM 0 HE1 PHE A 80 7.039 -3.311 1.690 1.00 70.11 H new ATOM 0 HE2 PHE A 80 5.783 -0.639 -1.376 1.00 52.33 H new ATOM 0 HZ PHE A 80 6.277 -2.924 -0.612 1.00 22.43 H new ATOM 1257 N ARG A 81 8.781 4.041 2.774 1.00 53.04 N ATOM 1258 CA ARG A 81 8.988 5.425 3.205 1.00 1.44 C ATOM 1259 C ARG A 81 7.760 6.263 2.816 1.00 5.01 C ATOM 1260 O ARG A 81 7.403 6.338 1.638 1.00 4.34 O ATOM 1261 CB ARG A 81 10.279 5.982 2.550 1.00 41.31 C ATOM 1262 CG ARG A 81 10.652 7.417 2.990 1.00 12.14 C ATOM 1263 CD ARG A 81 12.055 7.824 2.506 1.00 1.23 C ATOM 1264 NE ARG A 81 13.081 6.881 3.004 1.00 12.11 N ATOM 1265 CZ ARG A 81 14.254 6.606 2.409 1.00 4.42 C ATOM 1266 NH1 ARG A 81 14.598 7.197 1.272 1.00 52.34 N ATOM 1267 NH2 ARG A 81 15.049 5.678 2.930 1.00 54.14 N ATOM 0 H ARG A 81 8.975 3.881 1.785 1.00 53.04 H new ATOM 0 HA ARG A 81 9.109 5.471 4.287 1.00 1.44 H new ATOM 0 HB2 ARG A 81 11.108 5.316 2.787 1.00 41.31 H new ATOM 0 HB3 ARG A 81 10.158 5.967 1.467 1.00 41.31 H new ATOM 0 HG2 ARG A 81 9.916 8.119 2.598 1.00 12.14 H new ATOM 0 HG3 ARG A 81 10.610 7.485 4.077 1.00 12.14 H new ATOM 0 HD2 ARG A 81 12.075 7.847 1.416 1.00 1.23 H new ATOM 0 HD3 ARG A 81 12.284 8.832 2.851 1.00 1.23 H new ATOM 0 HE ARG A 81 12.879 6.396 3.878 1.00 12.11 H new ATOM 0 HH11 ARG A 81 13.968 7.871 0.837 1.00 52.34 H new ATOM 0 HH12 ARG A 81 15.492 6.977 0.833 1.00 52.34 H new ATOM 0 HH21 ARG A 81 14.767 5.181 3.775 1.00 54.14 H new ATOM 0 HH22 ARG A 81 15.941 5.463 2.485 1.00 54.14 H new ATOM 1281 N LYS A 82 7.140 6.875 3.836 1.00 71.32 N ATOM 1282 CA LYS A 82 5.941 7.717 3.706 1.00 73.02 C ATOM 1283 C LYS A 82 6.384 9.105 3.205 1.00 31.21 C ATOM 1284 O LYS A 82 7.282 9.712 3.794 1.00 51.02 O ATOM 1285 CB LYS A 82 5.257 7.793 5.116 1.00 50.42 C ATOM 1286 CG LYS A 82 3.837 8.416 5.189 1.00 42.34 C ATOM 1287 CD LYS A 82 3.793 9.958 5.028 1.00 64.25 C ATOM 1288 CE LYS A 82 2.389 10.544 5.269 1.00 60.05 C ATOM 1289 NZ LYS A 82 1.939 10.390 6.676 1.00 31.02 N ATOM 0 H LYS A 82 7.467 6.796 4.799 1.00 71.32 H new ATOM 0 HA LYS A 82 5.223 7.311 2.993 1.00 73.02 H new ATOM 0 HB2 LYS A 82 5.202 6.782 5.519 1.00 50.42 H new ATOM 0 HB3 LYS A 82 5.910 8.364 5.777 1.00 50.42 H new ATOM 0 HG2 LYS A 82 3.218 7.966 4.413 1.00 42.34 H new ATOM 0 HG3 LYS A 82 3.389 8.152 6.147 1.00 42.34 H new ATOM 0 HD2 LYS A 82 4.496 10.412 5.727 1.00 64.25 H new ATOM 0 HD3 LYS A 82 4.125 10.223 4.024 1.00 64.25 H new ATOM 0 HE2 LYS A 82 2.391 11.602 5.006 1.00 60.05 H new ATOM 0 HE3 LYS A 82 1.676 10.052 4.608 1.00 60.05 H new ATOM 0 HZ1 LYS A 82 1.053 10.917 6.817 1.00 31.02 H new ATOM 0 HZ2 LYS A 82 1.779 9.383 6.881 1.00 31.02 H new ATOM 0 HZ3 LYS A 82 2.669 10.762 7.317 1.00 31.02 H new ATOM 1303 N VAL A 83 5.757 9.590 2.120 1.00 63.14 N ATOM 1304 CA VAL A 83 6.030 10.912 1.528 1.00 74.14 C ATOM 1305 C VAL A 83 4.715 11.706 1.472 1.00 53.44 C ATOM 1306 O VAL A 83 3.703 11.190 0.974 1.00 35.31 O ATOM 1307 CB VAL A 83 6.641 10.780 0.075 1.00 72.42 C ATOM 1308 CG1 VAL A 83 6.965 12.166 -0.536 1.00 21.24 C ATOM 1309 CG2 VAL A 83 7.893 9.872 0.084 1.00 51.52 C ATOM 0 H VAL A 83 5.036 9.068 1.622 1.00 63.14 H new ATOM 0 HA VAL A 83 6.762 11.431 2.147 1.00 74.14 H new ATOM 0 HB VAL A 83 5.886 10.313 -0.558 1.00 72.42 H new ATOM 0 HG11 VAL A 83 7.383 12.035 -1.534 1.00 21.24 H new ATOM 0 HG12 VAL A 83 6.052 12.758 -0.600 1.00 21.24 H new ATOM 0 HG13 VAL A 83 7.688 12.682 0.095 1.00 21.24 H new ATOM 0 HG21 VAL A 83 8.295 9.797 -0.926 1.00 51.52 H new ATOM 0 HG22 VAL A 83 8.648 10.300 0.744 1.00 51.52 H new ATOM 0 HG23 VAL A 83 7.620 8.879 0.441 1.00 51.52 H new ATOM 1319 N VAL A 84 4.731 12.946 1.983 1.00 22.54 N ATOM 1320 CA VAL A 84 3.563 13.843 1.968 1.00 25.24 C ATOM 1321 C VAL A 84 3.633 14.705 0.696 1.00 60.20 C ATOM 1322 O VAL A 84 4.706 15.207 0.355 1.00 63.52 O ATOM 1323 CB VAL A 84 3.528 14.786 3.235 1.00 3.14 C ATOM 1324 CG1 VAL A 84 2.222 15.614 3.287 1.00 13.10 C ATOM 1325 CG2 VAL A 84 3.730 13.984 4.543 1.00 73.04 C ATOM 0 H VAL A 84 5.556 13.357 2.420 1.00 22.54 H new ATOM 0 HA VAL A 84 2.658 13.235 1.984 1.00 25.24 H new ATOM 0 HB VAL A 84 4.360 15.484 3.143 1.00 3.14 H new ATOM 0 HG11 VAL A 84 2.231 16.252 4.171 1.00 13.10 H new ATOM 0 HG12 VAL A 84 2.148 16.233 2.393 1.00 13.10 H new ATOM 0 HG13 VAL A 84 1.366 14.941 3.334 1.00 13.10 H new ATOM 0 HG21 VAL A 84 3.700 14.664 5.395 1.00 73.04 H new ATOM 0 HG22 VAL A 84 2.936 13.243 4.642 1.00 73.04 H new ATOM 0 HG23 VAL A 84 4.696 13.479 4.515 1.00 73.04 H new ATOM 1335 N HIS A 85 2.508 14.838 -0.026 1.00 50.35 N ATOM 1336 CA HIS A 85 2.417 15.719 -1.216 1.00 71.31 C ATOM 1337 C HIS A 85 1.371 16.832 -1.004 1.00 40.24 C ATOM 1338 O HIS A 85 1.175 17.662 -1.889 1.00 5.44 O ATOM 1339 CB HIS A 85 2.096 14.895 -2.492 1.00 74.32 C ATOM 1340 CG HIS A 85 3.184 13.925 -2.923 1.00 12.04 C ATOM 1341 ND1 HIS A 85 3.969 14.119 -4.044 1.00 72.11 N ATOM 1342 CD2 HIS A 85 3.607 12.748 -2.385 1.00 41.25 C ATOM 1343 CE1 HIS A 85 4.812 13.115 -4.178 1.00 44.45 C ATOM 1344 NE2 HIS A 85 4.617 12.272 -3.187 1.00 12.04 N ATOM 0 H HIS A 85 1.641 14.346 0.191 1.00 50.35 H new ATOM 0 HA HIS A 85 3.388 16.194 -1.355 1.00 71.31 H new ATOM 0 HB2 HIS A 85 1.177 14.334 -2.322 1.00 74.32 H new ATOM 0 HB3 HIS A 85 1.901 15.586 -3.312 1.00 74.32 H new ATOM 0 HD2 HIS A 85 3.221 12.276 -1.494 1.00 41.25 H new ATOM 0 HE1 HIS A 85 5.540 13.003 -4.968 1.00 44.45 H new ATOM 0 HE2 HIS A 85 5.132 11.405 -3.038 1.00 12.04 H new ATOM 1504 N ARG A 96 -7.643 16.191 0.472 1.00 71.15 N ATOM 1505 CA ARG A 96 -7.588 14.782 0.891 1.00 54.43 C ATOM 1506 C ARG A 96 -6.138 14.347 1.146 1.00 61.24 C ATOM 1507 O ARG A 96 -5.184 15.055 0.796 1.00 42.35 O ATOM 1508 CB ARG A 96 -8.249 13.877 -0.183 1.00 4.30 C ATOM 1509 CG ARG A 96 -7.543 13.870 -1.562 1.00 4.50 C ATOM 1510 CD ARG A 96 -8.355 13.119 -2.635 1.00 33.00 C ATOM 1511 NE ARG A 96 -9.691 13.722 -2.843 1.00 3.25 N ATOM 1512 CZ ARG A 96 -10.618 13.285 -3.719 1.00 44.04 C ATOM 1513 NH1 ARG A 96 -10.389 12.234 -4.502 1.00 32.44 N ATOM 1514 NH2 ARG A 96 -11.781 13.922 -3.804 1.00 62.43 N ATOM 0 HA ARG A 96 -8.142 14.677 1.824 1.00 54.43 H new ATOM 0 HB2 ARG A 96 -8.282 12.855 0.196 1.00 4.30 H new ATOM 0 HB3 ARG A 96 -9.281 14.199 -0.322 1.00 4.30 H new ATOM 0 HG2 ARG A 96 -7.378 14.897 -1.888 1.00 4.50 H new ATOM 0 HG3 ARG A 96 -6.562 13.406 -1.462 1.00 4.50 H new ATOM 0 HD2 ARG A 96 -7.805 13.124 -3.576 1.00 33.00 H new ATOM 0 HD3 ARG A 96 -8.470 12.076 -2.339 1.00 33.00 H new ATOM 0 HE ARG A 96 -9.930 14.536 -2.276 1.00 3.25 H new ATOM 0 HH11 ARG A 96 -9.498 11.741 -4.447 1.00 32.44 H new ATOM 0 HH12 ARG A 96 -11.105 11.921 -5.158 1.00 32.44 H new ATOM 0 HH21 ARG A 96 -11.964 14.731 -3.211 1.00 62.43 H new ATOM 0 HH22 ARG A 96 -12.491 13.602 -4.463 1.00 62.43 H new ATOM 1528 N ASP A 97 -5.989 13.162 1.732 1.00 44.52 N ATOM 1529 CA ASP A 97 -4.677 12.637 2.141 1.00 64.52 C ATOM 1530 C ASP A 97 -3.994 12.037 0.920 1.00 75.23 C ATOM 1531 O ASP A 97 -4.547 11.126 0.323 1.00 30.21 O ATOM 1532 CB ASP A 97 -4.831 11.542 3.233 1.00 14.42 C ATOM 1533 CG ASP A 97 -5.895 11.883 4.282 1.00 40.23 C ATOM 1534 OD1 ASP A 97 -5.616 12.675 5.196 1.00 21.15 O ATOM 1535 OD2 ASP A 97 -7.027 11.376 4.167 1.00 41.42 O ATOM 0 H ASP A 97 -6.767 12.536 1.939 1.00 44.52 H new ATOM 0 HA ASP A 97 -4.082 13.451 2.555 1.00 64.52 H new ATOM 0 HB2 ASP A 97 -5.089 10.596 2.757 1.00 14.42 H new ATOM 0 HB3 ASP A 97 -3.872 11.397 3.731 1.00 14.42 H new ATOM 1540 N ASP A 98 -2.825 12.556 0.531 1.00 15.04 N ATOM 1541 CA ASP A 98 -2.002 11.915 -0.509 1.00 52.35 C ATOM 1542 C ASP A 98 -0.684 11.466 0.128 1.00 53.00 C ATOM 1543 O ASP A 98 0.179 12.289 0.480 1.00 32.31 O ATOM 1544 CB ASP A 98 -1.745 12.831 -1.730 1.00 22.45 C ATOM 1545 CG ASP A 98 -0.972 12.079 -2.835 1.00 24.23 C ATOM 1546 OD1 ASP A 98 -1.460 11.029 -3.296 1.00 53.32 O ATOM 1547 OD2 ASP A 98 0.130 12.502 -3.234 1.00 34.14 O ATOM 0 H ASP A 98 -2.426 13.412 0.915 1.00 15.04 H new ATOM 0 HA ASP A 98 -2.550 11.057 -0.899 1.00 52.35 H new ATOM 0 HB2 ASP A 98 -2.695 13.190 -2.126 1.00 22.45 H new ATOM 0 HB3 ASP A 98 -1.178 13.708 -1.418 1.00 22.45 H new ATOM 1552 N THR A 99 -0.571 10.146 0.297 1.00 50.22 N ATOM 1553 CA THR A 99 0.518 9.497 1.016 1.00 73.11 C ATOM 1554 C THR A 99 1.190 8.467 0.100 1.00 61.32 C ATOM 1555 O THR A 99 0.572 7.476 -0.292 1.00 75.32 O ATOM 1556 CB THR A 99 -0.059 8.833 2.304 1.00 61.43 C ATOM 1557 OG1 THR A 99 -0.522 9.866 3.190 1.00 23.24 O ATOM 1558 CG2 THR A 99 0.963 7.959 3.030 1.00 72.45 C ATOM 0 H THR A 99 -1.254 9.486 -0.074 1.00 50.22 H new ATOM 0 HA THR A 99 1.275 10.224 1.311 1.00 73.11 H new ATOM 0 HB THR A 99 -0.877 8.180 2.001 1.00 61.43 H new ATOM 0 HG1 THR A 99 -1.258 9.522 3.737 1.00 23.24 H new ATOM 0 HG21 THR A 99 0.504 7.524 3.918 1.00 72.45 H new ATOM 0 HG22 THR A 99 1.297 7.161 2.366 1.00 72.45 H new ATOM 0 HG23 THR A 99 1.818 8.567 3.325 1.00 72.45 H new ATOM 1566 N GLU A 100 2.455 8.720 -0.235 1.00 71.33 N ATOM 1567 CA GLU A 100 3.220 7.883 -1.156 1.00 53.31 C ATOM 1568 C GLU A 100 4.152 6.973 -0.347 1.00 45.32 C ATOM 1569 O GLU A 100 5.047 7.462 0.343 1.00 21.10 O ATOM 1570 CB GLU A 100 4.044 8.771 -2.121 1.00 30.23 C ATOM 1571 CG GLU A 100 4.849 7.984 -3.180 1.00 71.22 C ATOM 1572 CD GLU A 100 5.837 8.864 -3.955 1.00 41.00 C ATOM 1573 OE1 GLU A 100 5.389 9.781 -4.673 1.00 4.52 O ATOM 1574 OE2 GLU A 100 7.056 8.661 -3.826 1.00 34.13 O ATOM 0 H GLU A 100 2.980 9.516 0.128 1.00 71.33 H new ATOM 0 HA GLU A 100 2.539 7.272 -1.748 1.00 53.31 H new ATOM 0 HB2 GLU A 100 3.368 9.457 -2.632 1.00 30.23 H new ATOM 0 HB3 GLU A 100 4.734 9.380 -1.536 1.00 30.23 H new ATOM 0 HG2 GLU A 100 5.396 7.179 -2.689 1.00 71.22 H new ATOM 0 HG3 GLU A 100 4.158 7.518 -3.882 1.00 71.22 H new ATOM 1581 N PHE A 101 3.911 5.656 -0.402 1.00 43.13 N ATOM 1582 CA PHE A 101 4.827 4.662 0.174 1.00 52.30 C ATOM 1583 C PHE A 101 5.725 4.133 -0.951 1.00 75.45 C ATOM 1584 O PHE A 101 5.231 3.575 -1.939 1.00 41.32 O ATOM 1585 CB PHE A 101 4.040 3.498 0.823 1.00 64.24 C ATOM 1586 CG PHE A 101 3.139 3.914 1.983 1.00 13.34 C ATOM 1587 CD1 PHE A 101 3.680 4.222 3.231 1.00 64.02 C ATOM 1588 CD2 PHE A 101 1.751 3.987 1.828 1.00 14.52 C ATOM 1589 CE1 PHE A 101 2.865 4.584 4.288 1.00 24.04 C ATOM 1590 CE2 PHE A 101 0.937 4.349 2.886 1.00 71.14 C ATOM 1591 CZ PHE A 101 1.494 4.646 4.113 1.00 63.25 C ATOM 0 H PHE A 101 3.084 5.253 -0.842 1.00 43.13 H new ATOM 0 HA PHE A 101 5.430 5.126 0.954 1.00 52.30 H new ATOM 0 HB2 PHE A 101 3.429 3.018 0.058 1.00 64.24 H new ATOM 0 HB3 PHE A 101 4.749 2.751 1.180 1.00 64.24 H new ATOM 0 HD1 PHE A 101 4.750 4.177 3.374 1.00 64.02 H new ATOM 0 HD2 PHE A 101 1.309 3.758 0.870 1.00 14.52 H new ATOM 0 HE1 PHE A 101 3.298 4.818 5.249 1.00 24.04 H new ATOM 0 HE2 PHE A 101 -0.133 4.399 2.752 1.00 71.14 H new ATOM 0 HZ PHE A 101 0.858 4.928 4.939 1.00 63.25 H new ATOM 1601 N GLN A 102 7.044 4.324 -0.792 1.00 31.35 N ATOM 1602 CA GLN A 102 8.044 3.935 -1.802 1.00 61.44 C ATOM 1603 C GLN A 102 9.071 2.976 -1.185 1.00 22.54 C ATOM 1604 O GLN A 102 9.458 3.138 -0.021 1.00 53.41 O ATOM 1605 CB GLN A 102 8.736 5.202 -2.385 1.00 71.04 C ATOM 1606 CG GLN A 102 9.502 6.071 -1.362 1.00 35.11 C ATOM 1607 CD GLN A 102 10.205 7.281 -1.986 1.00 12.13 C ATOM 1608 OE1 GLN A 102 10.576 7.272 -3.158 1.00 73.51 O ATOM 1609 NE2 GLN A 102 10.443 8.306 -1.188 1.00 34.12 N ATOM 0 H GLN A 102 7.449 4.753 0.040 1.00 31.35 H new ATOM 0 HA GLN A 102 7.545 3.415 -2.620 1.00 61.44 H new ATOM 0 HB2 GLN A 102 9.432 4.889 -3.163 1.00 71.04 H new ATOM 0 HB3 GLN A 102 7.978 5.820 -2.865 1.00 71.04 H new ATOM 0 HG2 GLN A 102 8.804 6.420 -0.601 1.00 35.11 H new ATOM 0 HG3 GLN A 102 10.243 5.452 -0.856 1.00 35.11 H new ATOM 0 HE21 GLN A 102 10.122 8.284 -0.220 1.00 34.12 H new ATOM 0 HE22 GLN A 102 10.947 9.120 -1.540 1.00 34.12 H new ATOM 1618 N HIS A 103 9.496 1.970 -1.971 1.00 72.44 N ATOM 1619 CA HIS A 103 10.496 0.976 -1.537 1.00 51.25 C ATOM 1620 C HIS A 103 11.141 0.327 -2.784 1.00 11.00 C ATOM 1621 O HIS A 103 10.412 -0.097 -3.684 1.00 1.24 O ATOM 1622 CB HIS A 103 9.828 -0.097 -0.629 1.00 43.25 C ATOM 1623 CG HIS A 103 10.796 -0.984 0.107 1.00 51.54 C ATOM 1624 ND1 HIS A 103 11.079 -2.278 -0.270 1.00 72.14 N ATOM 1625 CD2 HIS A 103 11.575 -0.740 1.190 1.00 3.24 C ATOM 1626 CE1 HIS A 103 11.981 -2.782 0.553 1.00 32.44 C ATOM 1627 NE2 HIS A 103 12.292 -1.874 1.442 1.00 22.30 N ATOM 0 H HIS A 103 9.157 1.823 -2.922 1.00 72.44 H new ATOM 0 HA HIS A 103 11.275 1.467 -0.954 1.00 51.25 H new ATOM 0 HB2 HIS A 103 9.191 0.407 0.098 1.00 43.25 H new ATOM 0 HB3 HIS A 103 9.178 -0.721 -1.243 1.00 43.25 H new ATOM 0 HD2 HIS A 103 11.620 0.182 1.750 1.00 3.24 H new ATOM 0 HE1 HIS A 103 12.393 -3.779 0.501 1.00 32.44 H new ATOM 0 HE2 HIS A 103 12.962 -1.994 2.201 1.00 22.30 H new ATOM 1636 N PRO A 104 12.519 0.212 -2.847 1.00 61.34 N ATOM 1637 CA PRO A 104 13.242 -0.278 -4.061 1.00 43.21 C ATOM 1638 C PRO A 104 12.951 -1.752 -4.417 1.00 64.45 C ATOM 1639 O PRO A 104 13.144 -2.167 -5.567 1.00 65.24 O ATOM 1640 CB PRO A 104 14.739 -0.084 -3.679 1.00 2.43 C ATOM 1641 CG PRO A 104 14.758 -0.129 -2.182 1.00 53.23 C ATOM 1642 CD PRO A 104 13.484 0.566 -1.759 1.00 51.22 C ATOM 0 HA PRO A 104 12.929 0.264 -4.953 1.00 43.21 H new ATOM 0 HB2 PRO A 104 15.362 -0.870 -4.107 1.00 2.43 H new ATOM 0 HB3 PRO A 104 15.123 0.866 -4.052 1.00 2.43 H new ATOM 0 HG2 PRO A 104 14.788 -1.156 -1.817 1.00 53.23 H new ATOM 0 HG3 PRO A 104 15.636 0.377 -1.782 1.00 53.23 H new ATOM 0 HD2 PRO A 104 13.139 0.216 -0.786 1.00 51.22 H new ATOM 0 HD3 PRO A 104 13.622 1.644 -1.679 1.00 51.22 H new ATOM 1650 N CYS A 105 12.507 -2.543 -3.424 1.00 40.33 N ATOM 1651 CA CYS A 105 12.204 -3.978 -3.620 1.00 65.02 C ATOM 1652 C CYS A 105 10.713 -4.209 -3.980 1.00 20.15 C ATOM 1653 O CYS A 105 10.298 -5.349 -4.201 1.00 12.45 O ATOM 1654 CB CYS A 105 12.593 -4.768 -2.354 1.00 53.12 C ATOM 1655 SG CYS A 105 14.222 -4.351 -1.693 1.00 1.01 S ATOM 0 H CYS A 105 12.348 -2.213 -2.472 1.00 40.33 H new ATOM 0 HA CYS A 105 12.793 -4.339 -4.463 1.00 65.02 H new ATOM 0 HB2 CYS A 105 11.844 -4.589 -1.583 1.00 53.12 H new ATOM 0 HB3 CYS A 105 12.568 -5.834 -2.582 1.00 53.12 H new ATOM 0 HG CYS A 105 14.455 -5.064 -0.631 1.00 1.01 H new ATOM 1661 N PHE A 106 9.918 -3.121 -4.032 1.00 14.42 N ATOM 1662 CA PHE A 106 8.503 -3.181 -4.453 1.00 12.33 C ATOM 1663 C PHE A 106 8.430 -2.610 -5.876 1.00 13.12 C ATOM 1664 O PHE A 106 8.451 -1.384 -6.054 1.00 75.00 O ATOM 1665 CB PHE A 106 7.610 -2.360 -3.472 1.00 13.34 C ATOM 1666 CG PHE A 106 6.093 -2.399 -3.757 1.00 32.21 C ATOM 1667 CD1 PHE A 106 5.489 -1.466 -4.609 1.00 23.21 C ATOM 1668 CD2 PHE A 106 5.270 -3.356 -3.152 1.00 1.40 C ATOM 1669 CE1 PHE A 106 4.123 -1.495 -4.848 1.00 33.22 C ATOM 1670 CE2 PHE A 106 3.905 -3.380 -3.389 1.00 41.22 C ATOM 1671 CZ PHE A 106 3.333 -2.449 -4.238 1.00 64.55 C ATOM 0 H PHE A 106 10.235 -2.183 -3.786 1.00 14.42 H new ATOM 0 HA PHE A 106 8.134 -4.207 -4.439 1.00 12.33 H new ATOM 0 HB2 PHE A 106 7.781 -2.728 -2.460 1.00 13.34 H new ATOM 0 HB3 PHE A 106 7.939 -1.321 -3.493 1.00 13.34 H new ATOM 0 HD1 PHE A 106 6.096 -0.712 -5.088 1.00 23.21 H new ATOM 0 HD2 PHE A 106 5.706 -4.088 -2.489 1.00 1.40 H new ATOM 0 HE1 PHE A 106 3.677 -0.770 -5.512 1.00 33.22 H new ATOM 0 HE2 PHE A 106 3.287 -4.126 -2.911 1.00 41.22 H new ATOM 0 HZ PHE A 106 2.269 -2.469 -4.423 1.00 64.55 H new ATOM 1681 N LEU A 107 8.407 -3.498 -6.889 1.00 3.14 N ATOM 1682 CA LEU A 107 8.387 -3.083 -8.309 1.00 4.32 C ATOM 1683 C LEU A 107 7.203 -3.710 -9.076 1.00 4.44 C ATOM 1684 O LEU A 107 6.542 -4.647 -8.601 1.00 64.03 O ATOM 1685 CB LEU A 107 9.725 -3.482 -8.998 1.00 32.33 C ATOM 1686 CG LEU A 107 11.048 -2.990 -8.328 1.00 22.04 C ATOM 1687 CD1 LEU A 107 12.283 -3.513 -9.097 1.00 41.13 C ATOM 1688 CD2 LEU A 107 11.085 -1.450 -8.206 1.00 10.53 C ATOM 0 H LEU A 107 8.402 -4.509 -6.752 1.00 3.14 H new ATOM 0 HA LEU A 107 8.265 -2.000 -8.332 1.00 4.32 H new ATOM 0 HB2 LEU A 107 9.762 -4.570 -9.060 1.00 32.33 H new ATOM 0 HB3 LEU A 107 9.704 -3.105 -10.021 1.00 32.33 H new ATOM 0 HG LEU A 107 11.077 -3.399 -7.318 1.00 22.04 H new ATOM 0 HD11 LEU A 107 13.192 -3.157 -8.611 1.00 41.13 H new ATOM 0 HD12 LEU A 107 12.276 -4.603 -9.099 1.00 41.13 H new ATOM 0 HD13 LEU A 107 12.254 -3.148 -10.124 1.00 41.13 H new ATOM 0 HD21 LEU A 107 12.020 -1.145 -7.736 1.00 10.53 H new ATOM 0 HD22 LEU A 107 11.016 -1.005 -9.198 1.00 10.53 H new ATOM 0 HD23 LEU A 107 10.246 -1.113 -7.598 1.00 10.53 H new ATOM 1700 N ARG A 108 6.973 -3.149 -10.273 1.00 62.53 N ATOM 1701 CA ARG A 108 6.033 -3.674 -11.286 1.00 63.01 C ATOM 1702 C ARG A 108 6.390 -5.131 -11.701 1.00 33.35 C ATOM 1703 O ARG A 108 7.478 -5.384 -12.230 1.00 21.44 O ATOM 1704 CB ARG A 108 6.036 -2.726 -12.530 1.00 43.04 C ATOM 1705 CG ARG A 108 7.451 -2.356 -13.049 1.00 25.20 C ATOM 1706 CD ARG A 108 7.447 -1.560 -14.366 1.00 1.41 C ATOM 1707 NE ARG A 108 7.021 -2.375 -15.517 1.00 71.12 N ATOM 1708 CZ ARG A 108 7.261 -2.090 -16.814 1.00 21.43 C ATOM 1709 NH1 ARG A 108 7.922 -0.991 -17.177 1.00 22.41 N ATOM 1710 NH2 ARG A 108 6.847 -2.939 -17.746 1.00 32.25 N ATOM 0 H ARG A 108 7.445 -2.297 -10.575 1.00 62.53 H new ATOM 0 HA ARG A 108 5.034 -3.703 -10.852 1.00 63.01 H new ATOM 0 HB2 ARG A 108 5.479 -3.203 -13.337 1.00 43.04 H new ATOM 0 HB3 ARG A 108 5.504 -1.809 -12.275 1.00 43.04 H new ATOM 0 HG2 ARG A 108 7.966 -1.773 -12.286 1.00 25.20 H new ATOM 0 HG3 ARG A 108 8.025 -3.271 -13.192 1.00 25.20 H new ATOM 0 HD2 ARG A 108 6.782 -0.702 -14.266 1.00 1.41 H new ATOM 0 HD3 ARG A 108 8.447 -1.168 -14.553 1.00 1.41 H new ATOM 0 HE ARG A 108 6.500 -3.228 -15.316 1.00 71.12 H new ATOM 0 HH11 ARG A 108 8.260 -0.341 -16.467 1.00 22.41 H new ATOM 0 HH12 ARG A 108 8.090 -0.800 -18.165 1.00 22.41 H new ATOM 0 HH21 ARG A 108 6.356 -3.792 -17.477 1.00 32.25 H new ATOM 0 HH22 ARG A 108 7.020 -2.739 -18.731 1.00 32.25 H new ATOM 1724 N GLY A 109 5.479 -6.074 -11.402 1.00 35.25 N ATOM 1725 CA GLY A 109 5.600 -7.481 -11.821 1.00 1.55 C ATOM 1726 C GLY A 109 6.705 -8.275 -11.116 1.00 50.32 C ATOM 1727 O GLY A 109 6.979 -9.422 -11.489 1.00 25.21 O ATOM 0 H GLY A 109 4.636 -5.881 -10.861 1.00 35.25 H new ATOM 0 HA2 GLY A 109 4.647 -7.980 -11.645 1.00 1.55 H new ATOM 0 HA3 GLY A 109 5.782 -7.510 -12.895 1.00 1.55 H new ATOM 1731 N GLN A 110 7.348 -7.673 -10.102 1.00 2.24 N ATOM 1732 CA GLN A 110 8.490 -8.279 -9.399 1.00 42.43 C ATOM 1733 C GLN A 110 8.033 -8.887 -8.067 1.00 40.14 C ATOM 1734 O GLN A 110 8.406 -8.419 -6.979 1.00 54.33 O ATOM 1735 CB GLN A 110 9.623 -7.232 -9.203 1.00 2.50 C ATOM 1736 CG GLN A 110 10.320 -6.782 -10.510 1.00 21.13 C ATOM 1737 CD GLN A 110 11.155 -7.883 -11.170 1.00 42.13 C ATOM 1738 OE1 GLN A 110 10.667 -8.653 -12.002 1.00 24.44 O ATOM 1739 NE2 GLN A 110 12.423 -7.968 -10.806 1.00 35.30 N ATOM 0 H GLN A 110 7.090 -6.752 -9.747 1.00 2.24 H new ATOM 0 HA GLN A 110 8.896 -9.088 -10.006 1.00 42.43 H new ATOM 0 HB2 GLN A 110 9.207 -6.354 -8.708 1.00 2.50 H new ATOM 0 HB3 GLN A 110 10.374 -7.650 -8.532 1.00 2.50 H new ATOM 0 HG2 GLN A 110 9.563 -6.439 -11.216 1.00 21.13 H new ATOM 0 HG3 GLN A 110 10.964 -5.930 -10.294 1.00 21.13 H new ATOM 0 HE21 GLN A 110 12.800 -7.318 -10.116 1.00 35.30 H new ATOM 0 HE22 GLN A 110 13.024 -8.683 -11.215 1.00 35.30 H new ATOM 1748 N GLU A 111 7.188 -9.930 -8.180 1.00 52.31 N ATOM 1749 CA GLU A 111 6.739 -10.750 -7.033 1.00 33.24 C ATOM 1750 C GLU A 111 7.937 -11.372 -6.278 1.00 43.52 C ATOM 1751 O GLU A 111 7.936 -11.455 -5.047 1.00 0.04 O ATOM 1752 CB GLU A 111 5.775 -11.871 -7.512 1.00 43.21 C ATOM 1753 CG GLU A 111 6.395 -12.854 -8.535 1.00 42.32 C ATOM 1754 CD GLU A 111 5.548 -14.111 -8.759 1.00 2.40 C ATOM 1755 OE1 GLU A 111 5.532 -14.991 -7.867 1.00 32.54 O ATOM 1756 OE2 GLU A 111 4.896 -14.236 -9.819 1.00 71.00 O ATOM 0 H GLU A 111 6.795 -10.230 -9.072 1.00 52.31 H new ATOM 0 HA GLU A 111 6.210 -10.091 -6.344 1.00 33.24 H new ATOM 0 HB2 GLU A 111 5.434 -12.436 -6.644 1.00 43.21 H new ATOM 0 HB3 GLU A 111 4.894 -11.410 -7.958 1.00 43.21 H new ATOM 0 HG2 GLU A 111 6.529 -12.340 -9.487 1.00 42.32 H new ATOM 0 HG3 GLU A 111 7.386 -13.149 -8.190 1.00 42.32 H new ATOM 1763 N GLN A 112 8.978 -11.754 -7.039 1.00 4.11 N ATOM 1764 CA GLN A 112 10.162 -12.434 -6.499 1.00 14.35 C ATOM 1765 C GLN A 112 10.999 -11.505 -5.601 1.00 73.15 C ATOM 1766 O GLN A 112 11.861 -11.979 -4.867 1.00 45.51 O ATOM 1767 CB GLN A 112 11.049 -13.027 -7.636 1.00 31.32 C ATOM 1768 CG GLN A 112 11.870 -12.022 -8.492 1.00 52.21 C ATOM 1769 CD GLN A 112 11.135 -11.418 -9.695 1.00 72.42 C ATOM 1770 OE1 GLN A 112 9.920 -11.246 -9.697 1.00 74.03 O ATOM 1771 NE2 GLN A 112 11.881 -11.104 -10.745 1.00 52.13 N ATOM 0 H GLN A 112 9.019 -11.598 -8.046 1.00 4.11 H new ATOM 0 HA GLN A 112 9.795 -13.256 -5.884 1.00 14.35 H new ATOM 0 HB2 GLN A 112 11.745 -13.736 -7.187 1.00 31.32 H new ATOM 0 HB3 GLN A 112 10.404 -13.595 -8.307 1.00 31.32 H new ATOM 0 HG2 GLN A 112 12.201 -11.209 -7.846 1.00 52.21 H new ATOM 0 HG3 GLN A 112 12.766 -12.527 -8.853 1.00 52.21 H new ATOM 0 HE21 GLN A 112 12.889 -11.257 -10.718 1.00 52.13 H new ATOM 0 HE22 GLN A 112 11.447 -10.710 -11.580 1.00 52.13 H new ATOM 1780 N LEU A 113 10.768 -10.179 -5.700 1.00 20.42 N ATOM 1781 CA LEU A 113 11.437 -9.172 -4.849 1.00 61.51 C ATOM 1782 C LEU A 113 10.561 -8.779 -3.640 1.00 5.43 C ATOM 1783 O LEU A 113 11.078 -8.246 -2.652 1.00 44.42 O ATOM 1784 CB LEU A 113 11.834 -7.927 -5.685 1.00 34.13 C ATOM 1785 CG LEU A 113 12.865 -8.179 -6.839 1.00 53.32 C ATOM 1786 CD1 LEU A 113 13.233 -6.858 -7.552 1.00 71.51 C ATOM 1787 CD2 LEU A 113 14.137 -8.904 -6.322 1.00 64.15 C ATOM 0 H LEU A 113 10.114 -9.777 -6.371 1.00 20.42 H new ATOM 0 HA LEU A 113 12.348 -9.621 -4.454 1.00 61.51 H new ATOM 0 HB2 LEU A 113 10.929 -7.501 -6.119 1.00 34.13 H new ATOM 0 HB3 LEU A 113 12.248 -7.177 -5.011 1.00 34.13 H new ATOM 0 HG LEU A 113 12.387 -8.835 -7.566 1.00 53.32 H new ATOM 0 HD11 LEU A 113 13.949 -7.061 -8.348 1.00 71.51 H new ATOM 0 HD12 LEU A 113 12.334 -6.412 -7.978 1.00 71.51 H new ATOM 0 HD13 LEU A 113 13.675 -6.168 -6.834 1.00 71.51 H new ATOM 0 HD21 LEU A 113 14.828 -9.061 -7.150 1.00 64.15 H new ATOM 0 HD22 LEU A 113 14.619 -8.293 -5.558 1.00 64.15 H new ATOM 0 HD23 LEU A 113 13.858 -9.867 -5.894 1.00 64.15 H new ATOM 1799 N LEU A 114 9.234 -9.042 -3.727 1.00 73.24 N ATOM 1800 CA LEU A 114 8.277 -8.756 -2.627 1.00 3.24 C ATOM 1801 C LEU A 114 8.555 -9.662 -1.416 1.00 52.42 C ATOM 1802 O LEU A 114 8.468 -9.233 -0.267 1.00 70.43 O ATOM 1803 CB LEU A 114 6.809 -8.933 -3.100 1.00 3.23 C ATOM 1804 CG LEU A 114 6.355 -8.055 -4.311 1.00 44.30 C ATOM 1805 CD1 LEU A 114 4.876 -8.330 -4.667 1.00 25.25 C ATOM 1806 CD2 LEU A 114 6.603 -6.550 -4.052 1.00 33.15 C ATOM 0 H LEU A 114 8.799 -9.454 -4.552 1.00 73.24 H new ATOM 0 HA LEU A 114 8.417 -7.717 -2.328 1.00 3.24 H new ATOM 0 HB2 LEU A 114 6.659 -9.980 -3.363 1.00 3.23 H new ATOM 0 HB3 LEU A 114 6.151 -8.719 -2.258 1.00 3.23 H new ATOM 0 HG LEU A 114 6.965 -8.336 -5.169 1.00 44.30 H new ATOM 0 HD11 LEU A 114 4.583 -7.707 -5.512 1.00 25.25 H new ATOM 0 HD12 LEU A 114 4.755 -9.381 -4.931 1.00 25.25 H new ATOM 0 HD13 LEU A 114 4.246 -8.096 -3.809 1.00 25.25 H new ATOM 0 HD21 LEU A 114 6.274 -5.973 -4.916 1.00 33.15 H new ATOM 0 HD22 LEU A 114 6.043 -6.235 -3.172 1.00 33.15 H new ATOM 0 HD23 LEU A 114 7.667 -6.380 -3.885 1.00 33.15 H new ATOM 1818 N GLU A 115 8.925 -10.919 -1.704 1.00 42.04 N ATOM 1819 CA GLU A 115 9.326 -11.892 -0.669 1.00 53.02 C ATOM 1820 C GLU A 115 10.674 -11.529 -0.017 1.00 0.45 C ATOM 1821 O GLU A 115 11.024 -12.082 1.026 1.00 20.34 O ATOM 1822 CB GLU A 115 9.402 -13.314 -1.259 1.00 53.23 C ATOM 1823 CG GLU A 115 10.401 -13.495 -2.419 1.00 12.22 C ATOM 1824 CD GLU A 115 10.702 -14.967 -2.732 1.00 22.54 C ATOM 1825 OE1 GLU A 115 9.951 -15.597 -3.497 1.00 61.53 O ATOM 1826 OE2 GLU A 115 11.688 -15.510 -2.185 1.00 20.01 O ATOM 0 H GLU A 115 8.956 -11.291 -2.653 1.00 42.04 H new ATOM 0 HA GLU A 115 8.560 -11.859 0.106 1.00 53.02 H new ATOM 0 HB2 GLU A 115 9.669 -14.007 -0.461 1.00 53.23 H new ATOM 0 HB3 GLU A 115 8.409 -13.598 -1.609 1.00 53.23 H new ATOM 0 HG2 GLU A 115 10.002 -13.014 -3.312 1.00 12.22 H new ATOM 0 HG3 GLU A 115 11.332 -12.985 -2.171 1.00 12.22 H new ATOM 1833 N ASN A 116 11.418 -10.600 -0.638 1.00 13.10 N ATOM 1834 CA ASN A 116 12.725 -10.139 -0.127 1.00 32.34 C ATOM 1835 C ASN A 116 12.559 -8.830 0.665 1.00 24.12 C ATOM 1836 O ASN A 116 13.553 -8.244 1.107 1.00 71.42 O ATOM 1837 CB ASN A 116 13.741 -9.967 -1.296 1.00 3.11 C ATOM 1838 CG ASN A 116 14.267 -11.301 -1.826 1.00 53.24 C ATOM 1839 OD1 ASN A 116 15.304 -11.795 -1.385 1.00 13.23 O ATOM 1840 ND2 ASN A 116 13.550 -11.908 -2.750 1.00 55.03 N ATOM 0 H ASN A 116 11.134 -10.146 -1.506 1.00 13.10 H new ATOM 0 HA ASN A 116 13.122 -10.895 0.550 1.00 32.34 H new ATOM 0 HB2 ASN A 116 13.263 -9.421 -2.109 1.00 3.11 H new ATOM 0 HB3 ASN A 116 14.580 -9.360 -0.955 1.00 3.11 H new ATOM 0 HD21 ASN A 116 13.851 -12.811 -3.118 1.00 55.03 H new ATOM 0 HD22 ASN A 116 12.694 -11.475 -3.098 1.00 55.03 H new ATOM 1847 N ILE A 117 11.297 -8.384 0.849 1.00 73.51 N ATOM 1848 CA ILE A 117 10.967 -7.231 1.703 1.00 24.33 C ATOM 1849 C ILE A 117 10.720 -7.750 3.130 1.00 71.15 C ATOM 1850 O ILE A 117 9.807 -8.556 3.349 1.00 42.43 O ATOM 1851 CB ILE A 117 9.712 -6.434 1.170 1.00 3.43 C ATOM 1852 CG1 ILE A 117 9.883 -6.045 -0.328 1.00 43.12 C ATOM 1853 CG2 ILE A 117 9.458 -5.171 2.013 1.00 74.01 C ATOM 1854 CD1 ILE A 117 8.710 -5.288 -0.935 1.00 3.40 C ATOM 0 H ILE A 117 10.483 -8.814 0.409 1.00 73.51 H new ATOM 0 HA ILE A 117 11.801 -6.529 1.692 1.00 24.33 H new ATOM 0 HB ILE A 117 8.849 -7.094 1.260 1.00 3.43 H new ATOM 0 HG12 ILE A 117 10.781 -5.435 -0.429 1.00 43.12 H new ATOM 0 HG13 ILE A 117 10.048 -6.954 -0.907 1.00 43.12 H new ATOM 0 HG21 ILE A 117 8.588 -4.642 1.623 1.00 74.01 H new ATOM 0 HG22 ILE A 117 9.275 -5.456 3.049 1.00 74.01 H new ATOM 0 HG23 ILE A 117 10.331 -4.520 1.964 1.00 74.01 H new ATOM 0 HD11 ILE A 117 8.924 -5.062 -1.980 1.00 3.40 H new ATOM 0 HD12 ILE A 117 7.810 -5.900 -0.873 1.00 3.40 H new ATOM 0 HD13 ILE A 117 8.554 -4.358 -0.388 1.00 3.40 H new ATOM 1866 N LYS A 118 11.534 -7.277 4.084 1.00 2.04 N ATOM 1867 CA LYS A 118 11.665 -7.879 5.425 1.00 4.52 C ATOM 1868 C LYS A 118 10.757 -7.170 6.452 1.00 62.52 C ATOM 1869 O LYS A 118 10.734 -5.946 6.503 1.00 23.32 O ATOM 1870 CB LYS A 118 13.158 -7.817 5.876 1.00 53.21 C ATOM 1871 CG LYS A 118 14.188 -8.253 4.798 1.00 61.23 C ATOM 1872 CD LYS A 118 13.913 -9.657 4.205 1.00 43.21 C ATOM 1873 CE LYS A 118 14.130 -10.806 5.203 1.00 33.33 C ATOM 1874 NZ LYS A 118 15.568 -11.053 5.506 1.00 3.13 N ATOM 0 H LYS A 118 12.127 -6.458 3.949 1.00 2.04 H new ATOM 0 HA LYS A 118 11.344 -8.919 5.373 1.00 4.52 H new ATOM 0 HB2 LYS A 118 13.387 -6.797 6.184 1.00 53.21 H new ATOM 0 HB3 LYS A 118 13.283 -8.451 6.754 1.00 53.21 H new ATOM 0 HG2 LYS A 118 14.187 -7.521 3.990 1.00 61.23 H new ATOM 0 HG3 LYS A 118 15.186 -8.243 5.237 1.00 61.23 H new ATOM 0 HD2 LYS A 118 12.886 -9.693 3.842 1.00 43.21 H new ATOM 0 HD3 LYS A 118 14.562 -9.810 3.342 1.00 43.21 H new ATOM 0 HE2 LYS A 118 13.603 -10.579 6.130 1.00 33.33 H new ATOM 0 HE3 LYS A 118 13.688 -11.717 4.800 1.00 33.33 H new ATOM 0 HZ1 LYS A 118 15.650 -11.838 6.183 1.00 3.13 H new ATOM 0 HZ2 LYS A 118 16.070 -11.299 4.629 1.00 3.13 H new ATOM 0 HZ3 LYS A 118 15.988 -10.195 5.917 1.00 3.13 H new ATOM 1888 N ARG A 119 10.008 -7.954 7.246 1.00 73.50 N ATOM 1889 CA ARG A 119 9.179 -7.450 8.372 1.00 25.10 C ATOM 1890 C ARG A 119 9.779 -7.848 9.733 1.00 53.42 C ATOM 1891 O ARG A 119 9.284 -7.404 10.775 1.00 53.42 O ATOM 1892 CB ARG A 119 7.725 -7.980 8.252 1.00 12.14 C ATOM 1893 CG ARG A 119 7.619 -9.510 8.068 1.00 32.10 C ATOM 1894 CD ARG A 119 6.175 -9.996 7.903 1.00 45.25 C ATOM 1895 NE ARG A 119 6.106 -11.431 7.575 1.00 61.35 N ATOM 1896 CZ ARG A 119 5.033 -12.216 7.759 1.00 33.40 C ATOM 1897 NH1 ARG A 119 3.913 -11.738 8.291 1.00 63.30 N ATOM 1898 NH2 ARG A 119 5.080 -13.472 7.354 1.00 4.14 N ATOM 0 H ARG A 119 9.955 -8.966 7.129 1.00 73.50 H new ATOM 0 HA ARG A 119 9.167 -6.362 8.315 1.00 25.10 H new ATOM 0 HB2 ARG A 119 7.172 -7.694 9.147 1.00 12.14 H new ATOM 0 HB3 ARG A 119 7.241 -7.490 7.407 1.00 12.14 H new ATOM 0 HG2 ARG A 119 8.198 -9.806 7.193 1.00 32.10 H new ATOM 0 HG3 ARG A 119 8.067 -10.006 8.929 1.00 32.10 H new ATOM 0 HD2 ARG A 119 5.623 -9.808 8.824 1.00 45.25 H new ATOM 0 HD3 ARG A 119 5.687 -9.421 7.116 1.00 45.25 H new ATOM 0 HE ARG A 119 6.940 -11.862 7.176 1.00 61.35 H new ATOM 0 HH11 ARG A 119 3.858 -10.758 8.568 1.00 63.30 H new ATOM 0 HH12 ARG A 119 3.109 -12.351 8.422 1.00 63.30 H new ATOM 0 HH21 ARG A 119 5.924 -13.833 6.908 1.00 4.14 H new ATOM 0 HH22 ARG A 119 4.273 -14.081 7.487 1.00 4.14 H new