USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 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 74 GLN : amide:sc= -0.0134 X(o=-1.8,f=-1.8) USER MOD Set 1.2: A 77 MET CE :methyl 173:sc= -1.79 (180deg=-1.82) USER MOD Set 2.1: A 51 GLN : amide:sc= 0 X(o=-3.3,f=-3.7) USER MOD Set 2.2: A 68 MET CE :methyl 160:sc= -3.3! (180deg=-4.3!) USER MOD Set 2.3: A 99 THR OG1 : rot -150:sc= 0 USER MOD Set 3.1: A 65 HIS : no HE2:sc= -0.172 K(o=-0.17,f=-2!) USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 33 THR OG1 : rot -134:sc= -1.64! USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.00931 USER MOD Set 5.1: A 40 SER OG : rot 147:sc= 0.21 USER MOD Set 5.2: A 45 SER OG : rot 180:sc= 0.202 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.764 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0146 (180deg=-0.1) USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.644 USER MOD Single : A 29 SER OG : rot 92:sc= 0.637 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.515 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.043) USER MOD Single : A 47 HIS : no HD1:sc= 0.0981 K(o=0.098,f=-2.3) USER MOD Single : A 53 GLN : amide:sc= 0.609 K(o=0.61,f=-0.48) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0161) USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00551) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.2) USER MOD Single : A 66 ASN : amide:sc= -2.57! K(o=-2.6!,f=-1) USER MOD Single : A 67 ASN : amide:sc= -0.309 K(o=-0.31,f=-6.7!) USER MOD Single : A 76 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.47) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -0.0117 (180deg=-0.116) USER MOD Single : A 85 HIS : no HD1:sc= 0.0256 K(o=0.026,f=-1.2) USER MOD Single : A 102 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.47) USER MOD Single : A 103 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 116 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.047) USER MOD Single : A 118 LYS NZ :NH3+ -142:sc= 0.729 (180deg=0.127) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 5.847 -14.604 -0.692 1.00 63.24 N ATOM 238 CA VAL A 17 5.436 -13.215 -0.447 1.00 0.21 C ATOM 239 C VAL A 17 4.527 -13.139 0.803 1.00 41.53 C ATOM 240 O VAL A 17 3.590 -13.941 0.923 1.00 74.03 O ATOM 241 CB VAL A 17 4.699 -12.626 -1.715 1.00 45.50 C ATOM 242 CG1 VAL A 17 4.193 -11.180 -1.475 1.00 14.13 C ATOM 243 CG2 VAL A 17 5.622 -12.692 -2.955 1.00 62.14 C ATOM 0 HA VAL A 17 6.326 -12.613 -0.262 1.00 0.21 H new ATOM 0 HB VAL A 17 3.820 -13.243 -1.901 1.00 45.50 H new ATOM 0 HG11 VAL A 17 3.693 -10.816 -2.373 1.00 14.13 H new ATOM 0 HG12 VAL A 17 3.491 -11.174 -0.641 1.00 14.13 H new ATOM 0 HG13 VAL A 17 5.038 -10.533 -1.242 1.00 14.13 H new ATOM 0 HG21 VAL A 17 5.100 -12.283 -3.820 1.00 62.14 H new ATOM 0 HG22 VAL A 17 6.525 -12.111 -2.768 1.00 62.14 H new ATOM 0 HG23 VAL A 17 5.893 -13.729 -3.152 1.00 62.14 H new ATOM 253 N PRO A 18 4.828 -12.215 1.772 1.00 0.45 N ATOM 254 CA PRO A 18 3.981 -11.981 2.974 1.00 43.44 C ATOM 255 C PRO A 18 2.517 -11.705 2.590 1.00 44.43 C ATOM 256 O PRO A 18 2.284 -10.996 1.606 1.00 54.30 O ATOM 257 CB PRO A 18 4.626 -10.723 3.618 1.00 70.14 C ATOM 258 CG PRO A 18 6.059 -10.769 3.179 1.00 30.40 C ATOM 259 CD PRO A 18 6.035 -11.338 1.782 1.00 1.14 C ATOM 0 HA PRO A 18 3.947 -12.843 3.640 1.00 43.44 H new ATOM 0 HB2 PRO A 18 4.137 -9.809 3.281 1.00 70.14 H new ATOM 0 HB3 PRO A 18 4.543 -10.747 4.705 1.00 70.14 H new ATOM 0 HG2 PRO A 18 6.505 -9.774 3.190 1.00 30.40 H new ATOM 0 HG3 PRO A 18 6.654 -11.392 3.846 1.00 30.40 H new ATOM 0 HD2 PRO A 18 5.963 -10.551 1.031 1.00 1.14 H new ATOM 0 HD3 PRO A 18 6.941 -11.903 1.565 1.00 1.14 H new ATOM 267 N ALA A 19 1.546 -12.248 3.361 1.00 42.31 N ATOM 268 CA ALA A 19 0.099 -12.094 3.087 1.00 31.12 C ATOM 269 C ALA A 19 -0.311 -10.620 2.937 1.00 14.52 C ATOM 270 O ALA A 19 -1.145 -10.280 2.081 1.00 44.32 O ATOM 271 CB ALA A 19 -0.718 -12.760 4.200 1.00 64.43 C ATOM 0 H ALA A 19 1.745 -12.806 4.191 1.00 42.31 H new ATOM 0 HA ALA A 19 -0.108 -12.585 2.136 1.00 31.12 H new ATOM 0 HB1 ALA A 19 -1.781 -12.642 3.991 1.00 64.43 H new ATOM 0 HB2 ALA A 19 -0.473 -13.821 4.246 1.00 64.43 H new ATOM 0 HB3 ALA A 19 -0.482 -12.291 5.155 1.00 64.43 H new ATOM 277 N PHE A 20 0.272 -9.764 3.807 1.00 11.31 N ATOM 278 CA PHE A 20 0.154 -8.299 3.726 1.00 13.42 C ATOM 279 C PHE A 20 0.527 -7.757 2.328 1.00 51.21 C ATOM 280 O PHE A 20 -0.248 -7.014 1.727 1.00 61.35 O ATOM 281 CB PHE A 20 1.045 -7.626 4.816 1.00 35.32 C ATOM 282 CG PHE A 20 0.939 -6.096 4.835 1.00 52.20 C ATOM 283 CD1 PHE A 20 -0.178 -5.469 5.387 1.00 24.04 C ATOM 284 CD2 PHE A 20 1.926 -5.287 4.263 1.00 22.21 C ATOM 285 CE1 PHE A 20 -0.301 -4.091 5.372 1.00 14.52 C ATOM 286 CE2 PHE A 20 1.796 -3.911 4.243 1.00 11.31 C ATOM 287 CZ PHE A 20 0.683 -3.314 4.798 1.00 22.24 C ATOM 0 H PHE A 20 0.843 -10.079 4.592 1.00 11.31 H new ATOM 0 HA PHE A 20 -0.892 -8.049 3.903 1.00 13.42 H new ATOM 0 HB2 PHE A 20 0.763 -8.014 5.795 1.00 35.32 H new ATOM 0 HB3 PHE A 20 2.085 -7.908 4.649 1.00 35.32 H new ATOM 0 HD1 PHE A 20 -0.958 -6.068 5.833 1.00 24.04 H new ATOM 0 HD2 PHE A 20 2.803 -5.744 3.830 1.00 22.21 H new ATOM 0 HE1 PHE A 20 -1.170 -3.623 5.811 1.00 14.52 H new ATOM 0 HE2 PHE A 20 2.566 -3.303 3.793 1.00 11.31 H new ATOM 0 HZ PHE A 20 0.582 -2.239 4.783 1.00 22.24 H new ATOM 297 N LEU A 21 1.689 -8.177 1.800 1.00 14.32 N ATOM 298 CA LEU A 21 2.270 -7.594 0.571 1.00 41.11 C ATOM 299 C LEU A 21 1.622 -8.202 -0.674 1.00 45.41 C ATOM 300 O LEU A 21 1.627 -7.590 -1.735 1.00 51.13 O ATOM 301 CB LEU A 21 3.807 -7.803 0.535 1.00 21.31 C ATOM 302 CG LEU A 21 4.632 -7.026 1.616 1.00 5.23 C ATOM 303 CD1 LEU A 21 6.133 -7.361 1.513 1.00 72.04 C ATOM 304 CD2 LEU A 21 4.398 -5.500 1.510 1.00 11.33 C ATOM 0 H LEU A 21 2.251 -8.924 2.207 1.00 14.32 H new ATOM 0 HA LEU A 21 2.069 -6.523 0.578 1.00 41.11 H new ATOM 0 HB2 LEU A 21 4.011 -8.868 0.647 1.00 21.31 H new ATOM 0 HB3 LEU A 21 4.170 -7.510 -0.450 1.00 21.31 H new ATOM 0 HG LEU A 21 4.281 -7.350 2.596 1.00 5.23 H new ATOM 0 HD11 LEU A 21 6.682 -6.808 2.275 1.00 72.04 H new ATOM 0 HD12 LEU A 21 6.278 -8.430 1.665 1.00 72.04 H new ATOM 0 HD13 LEU A 21 6.501 -7.082 0.526 1.00 72.04 H new ATOM 0 HD21 LEU A 21 4.984 -4.988 2.273 1.00 11.33 H new ATOM 0 HD22 LEU A 21 4.705 -5.153 0.523 1.00 11.33 H new ATOM 0 HD23 LEU A 21 3.340 -5.283 1.659 1.00 11.33 H new ATOM 316 N THR A 22 1.098 -9.426 -0.518 1.00 22.41 N ATOM 317 CA THR A 22 0.334 -10.129 -1.546 1.00 12.25 C ATOM 318 C THR A 22 -0.979 -9.383 -1.853 1.00 51.12 C ATOM 319 O THR A 22 -1.263 -9.046 -3.013 1.00 11.21 O ATOM 320 CB THR A 22 0.025 -11.589 -1.062 1.00 33.34 C ATOM 321 OG1 THR A 22 1.241 -12.281 -0.746 1.00 2.22 O ATOM 322 CG2 THR A 22 -0.728 -12.393 -2.110 1.00 33.41 C ATOM 0 H THR A 22 1.198 -9.961 0.345 1.00 22.41 H new ATOM 0 HA THR A 22 0.926 -10.168 -2.460 1.00 12.25 H new ATOM 0 HB THR A 22 -0.602 -11.497 -0.175 1.00 33.34 H new ATOM 0 HG1 THR A 22 1.613 -11.925 0.088 1.00 2.22 H new ATOM 0 HG21 THR A 22 -0.920 -13.397 -1.730 1.00 33.41 H new ATOM 0 HG22 THR A 22 -1.675 -11.903 -2.333 1.00 33.41 H new ATOM 0 HG23 THR A 22 -0.130 -12.457 -3.019 1.00 33.41 H new ATOM 330 N LYS A 23 -1.754 -9.114 -0.787 1.00 70.24 N ATOM 331 CA LYS A 23 -3.041 -8.424 -0.896 1.00 60.45 C ATOM 332 C LYS A 23 -2.841 -6.954 -1.285 1.00 74.14 C ATOM 333 O LYS A 23 -3.602 -6.428 -2.090 1.00 21.44 O ATOM 334 CB LYS A 23 -3.841 -8.543 0.427 1.00 23.32 C ATOM 335 CG LYS A 23 -4.329 -9.970 0.812 1.00 14.13 C ATOM 336 CD LYS A 23 -5.584 -10.464 0.027 1.00 3.14 C ATOM 337 CE LYS A 23 -5.310 -10.955 -1.405 1.00 52.33 C ATOM 338 NZ LYS A 23 -4.408 -12.139 -1.440 1.00 11.44 N ATOM 0 H LYS A 23 -1.503 -9.370 0.168 1.00 70.24 H new ATOM 0 HA LYS A 23 -3.619 -8.905 -1.685 1.00 60.45 H new ATOM 0 HB2 LYS A 23 -3.219 -8.164 1.238 1.00 23.32 H new ATOM 0 HB3 LYS A 23 -4.711 -7.890 0.360 1.00 23.32 H new ATOM 0 HG2 LYS A 23 -3.514 -10.675 0.647 1.00 14.13 H new ATOM 0 HG3 LYS A 23 -4.554 -9.987 1.878 1.00 14.13 H new ATOM 0 HD2 LYS A 23 -6.048 -11.274 0.589 1.00 3.14 H new ATOM 0 HD3 LYS A 23 -6.308 -9.651 -0.017 1.00 3.14 H new ATOM 0 HE2 LYS A 23 -6.255 -11.208 -1.886 1.00 52.33 H new ATOM 0 HE3 LYS A 23 -4.865 -10.146 -1.984 1.00 52.33 H new ATOM 0 HZ1 LYS A 23 -4.363 -12.513 -2.410 1.00 11.44 H new ATOM 0 HZ2 LYS A 23 -3.455 -11.859 -1.132 1.00 11.44 H new ATOM 0 HZ3 LYS A 23 -4.775 -12.874 -0.802 1.00 11.44 H new ATOM 352 N LEU A 24 -1.804 -6.313 -0.702 1.00 21.22 N ATOM 353 CA LEU A 24 -1.424 -4.923 -1.015 1.00 72.04 C ATOM 354 C LEU A 24 -1.047 -4.755 -2.500 1.00 12.01 C ATOM 355 O LEU A 24 -1.530 -3.841 -3.151 1.00 24.12 O ATOM 356 CB LEU A 24 -0.251 -4.461 -0.107 1.00 13.23 C ATOM 357 CG LEU A 24 0.292 -3.012 -0.351 1.00 1.42 C ATOM 358 CD1 LEU A 24 -0.817 -1.946 -0.203 1.00 10.34 C ATOM 359 CD2 LEU A 24 1.500 -2.709 0.565 1.00 54.03 C ATOM 0 H LEU A 24 -1.207 -6.749 0.001 1.00 21.22 H new ATOM 0 HA LEU A 24 -2.293 -4.295 -0.820 1.00 72.04 H new ATOM 0 HB2 LEU A 24 -0.574 -4.534 0.931 1.00 13.23 H new ATOM 0 HB3 LEU A 24 0.575 -5.161 -0.234 1.00 13.23 H new ATOM 0 HG LEU A 24 0.638 -2.964 -1.383 1.00 1.42 H new ATOM 0 HD11 LEU A 24 -0.396 -0.956 -0.380 1.00 10.34 H new ATOM 0 HD12 LEU A 24 -1.607 -2.140 -0.928 1.00 10.34 H new ATOM 0 HD13 LEU A 24 -1.231 -1.989 0.804 1.00 10.34 H new ATOM 0 HD21 LEU A 24 1.856 -1.697 0.374 1.00 54.03 H new ATOM 0 HD22 LEU A 24 1.196 -2.796 1.608 1.00 54.03 H new ATOM 0 HD23 LEU A 24 2.300 -3.420 0.359 1.00 54.03 H new ATOM 371 N TRP A 25 -0.188 -5.647 -3.019 1.00 33.04 N ATOM 372 CA TRP A 25 0.260 -5.608 -4.428 1.00 24.31 C ATOM 373 C TRP A 25 -0.940 -5.719 -5.398 1.00 24.33 C ATOM 374 O TRP A 25 -1.063 -4.922 -6.331 1.00 70.54 O ATOM 375 CB TRP A 25 1.272 -6.749 -4.674 1.00 54.15 C ATOM 376 CG TRP A 25 1.954 -6.732 -6.025 1.00 34.22 C ATOM 377 CD1 TRP A 25 2.967 -5.900 -6.428 1.00 41.31 C ATOM 378 CD2 TRP A 25 1.693 -7.608 -7.133 1.00 62.45 C ATOM 379 NE1 TRP A 25 3.352 -6.215 -7.704 1.00 43.41 N ATOM 380 CE2 TRP A 25 2.581 -7.254 -8.163 1.00 13.13 C ATOM 381 CE3 TRP A 25 0.791 -8.657 -7.351 1.00 2.31 C ATOM 382 CZ2 TRP A 25 2.598 -7.912 -9.390 1.00 63.02 C ATOM 383 CZ3 TRP A 25 0.808 -9.311 -8.570 1.00 4.43 C ATOM 384 CH2 TRP A 25 1.708 -8.935 -9.578 1.00 73.01 C ATOM 0 H TRP A 25 0.216 -6.413 -2.480 1.00 33.04 H new ATOM 0 HA TRP A 25 0.745 -4.650 -4.618 1.00 24.31 H new ATOM 0 HB2 TRP A 25 2.037 -6.706 -3.899 1.00 54.15 H new ATOM 0 HB3 TRP A 25 0.755 -7.702 -4.559 1.00 54.15 H new ATOM 0 HD1 TRP A 25 3.398 -5.112 -5.828 1.00 41.31 H new ATOM 0 HE1 TRP A 25 4.093 -5.752 -8.229 1.00 43.41 H new ATOM 0 HE3 TRP A 25 0.094 -8.951 -6.580 1.00 2.31 H new ATOM 0 HZ2 TRP A 25 3.290 -7.625 -10.168 1.00 63.02 H new ATOM 0 HZ3 TRP A 25 0.118 -10.123 -8.748 1.00 4.43 H new ATOM 0 HH2 TRP A 25 1.699 -9.463 -10.520 1.00 73.01 H new ATOM 395 N THR A 26 -1.824 -6.703 -5.127 1.00 72.12 N ATOM 396 CA THR A 26 -3.078 -6.922 -5.883 1.00 74.23 C ATOM 397 C THR A 26 -3.991 -5.669 -5.815 1.00 54.34 C ATOM 398 O THR A 26 -4.577 -5.258 -6.816 1.00 12.15 O ATOM 399 CB THR A 26 -3.833 -8.175 -5.308 1.00 51.43 C ATOM 400 OG1 THR A 26 -2.978 -9.331 -5.368 1.00 1.04 O ATOM 401 CG2 THR A 26 -5.140 -8.484 -6.054 1.00 11.04 C ATOM 0 H THR A 26 -1.687 -7.374 -4.371 1.00 72.12 H new ATOM 0 HA THR A 26 -2.826 -7.102 -6.928 1.00 74.23 H new ATOM 0 HB THR A 26 -4.091 -7.936 -4.276 1.00 51.43 H new ATOM 0 HG1 THR A 26 -2.359 -9.320 -4.608 1.00 1.04 H new ATOM 0 HG21 THR A 26 -5.614 -9.359 -5.610 1.00 11.04 H new ATOM 0 HG22 THR A 26 -5.813 -7.630 -5.979 1.00 11.04 H new ATOM 0 HG23 THR A 26 -4.922 -8.683 -7.103 1.00 11.04 H new ATOM 409 N LEU A 27 -4.045 -5.064 -4.615 1.00 32.33 N ATOM 410 CA LEU A 27 -4.864 -3.881 -4.281 1.00 32.21 C ATOM 411 C LEU A 27 -4.458 -2.639 -5.095 1.00 54.43 C ATOM 412 O LEU A 27 -5.300 -1.996 -5.733 1.00 32.51 O ATOM 413 CB LEU A 27 -4.708 -3.630 -2.747 1.00 1.13 C ATOM 414 CG LEU A 27 -5.228 -2.292 -2.173 1.00 12.43 C ATOM 415 CD1 LEU A 27 -6.707 -2.092 -2.513 1.00 45.20 C ATOM 416 CD2 LEU A 27 -4.960 -2.204 -0.648 1.00 33.30 C ATOM 0 H LEU A 27 -3.499 -5.397 -3.820 1.00 32.33 H new ATOM 0 HA LEU A 27 -5.906 -4.070 -4.539 1.00 32.21 H new ATOM 0 HB2 LEU A 27 -5.218 -4.439 -2.223 1.00 1.13 H new ATOM 0 HB3 LEU A 27 -3.649 -3.709 -2.502 1.00 1.13 H new ATOM 0 HG LEU A 27 -4.678 -1.476 -2.642 1.00 12.43 H new ATOM 0 HD11 LEU A 27 -7.051 -1.144 -2.099 1.00 45.20 H new ATOM 0 HD12 LEU A 27 -6.833 -2.082 -3.596 1.00 45.20 H new ATOM 0 HD13 LEU A 27 -7.292 -2.907 -2.087 1.00 45.20 H new ATOM 0 HD21 LEU A 27 -5.335 -1.254 -0.267 1.00 33.30 H new ATOM 0 HD22 LEU A 27 -5.469 -3.024 -0.141 1.00 33.30 H new ATOM 0 HD23 LEU A 27 -3.888 -2.272 -0.462 1.00 33.30 H new ATOM 428 N VAL A 28 -3.162 -2.326 -5.046 1.00 40.24 N ATOM 429 CA VAL A 28 -2.556 -1.192 -5.764 1.00 65.40 C ATOM 430 C VAL A 28 -2.740 -1.341 -7.299 1.00 12.24 C ATOM 431 O VAL A 28 -2.896 -0.354 -8.032 1.00 71.10 O ATOM 432 CB VAL A 28 -1.023 -1.106 -5.402 1.00 14.42 C ATOM 433 CG1 VAL A 28 -0.306 0.005 -6.171 1.00 12.11 C ATOM 434 CG2 VAL A 28 -0.801 -0.911 -3.885 1.00 50.33 C ATOM 0 H VAL A 28 -2.488 -2.860 -4.498 1.00 40.24 H new ATOM 0 HA VAL A 28 -3.056 -0.273 -5.457 1.00 65.40 H new ATOM 0 HB VAL A 28 -0.593 -2.062 -5.701 1.00 14.42 H new ATOM 0 HG11 VAL A 28 0.746 0.023 -5.887 1.00 12.11 H new ATOM 0 HG12 VAL A 28 -0.390 -0.181 -7.242 1.00 12.11 H new ATOM 0 HG13 VAL A 28 -0.763 0.966 -5.933 1.00 12.11 H new ATOM 0 HG21 VAL A 28 0.268 -0.857 -3.678 1.00 50.33 H new ATOM 0 HG22 VAL A 28 -1.281 0.013 -3.563 1.00 50.33 H new ATOM 0 HG23 VAL A 28 -1.233 -1.752 -3.343 1.00 50.33 H new ATOM 444 N SER A 29 -2.747 -2.607 -7.751 1.00 54.04 N ATOM 445 CA SER A 29 -2.834 -2.979 -9.172 1.00 64.44 C ATOM 446 C SER A 29 -4.298 -3.157 -9.644 1.00 61.32 C ATOM 447 O SER A 29 -4.540 -3.376 -10.837 1.00 13.54 O ATOM 448 CB SER A 29 -2.051 -4.288 -9.378 1.00 34.21 C ATOM 449 OG SER A 29 -0.669 -4.109 -9.089 1.00 51.13 O ATOM 0 H SER A 29 -2.691 -3.413 -7.128 1.00 54.04 H new ATOM 0 HA SER A 29 -2.407 -2.173 -9.768 1.00 64.44 H new ATOM 0 HB2 SER A 29 -2.462 -5.066 -8.735 1.00 34.21 H new ATOM 0 HB3 SER A 29 -2.170 -4.628 -10.407 1.00 34.21 H new ATOM 0 HG SER A 29 -0.500 -4.328 -8.149 1.00 51.13 H new ATOM 455 N ASP A 30 -5.260 -3.077 -8.712 1.00 70.40 N ATOM 456 CA ASP A 30 -6.690 -3.341 -9.000 1.00 32.44 C ATOM 457 C ASP A 30 -7.406 -2.059 -9.516 1.00 13.12 C ATOM 458 O ASP A 30 -7.347 -1.025 -8.852 1.00 72.21 O ATOM 459 CB ASP A 30 -7.380 -3.902 -7.729 1.00 24.23 C ATOM 460 CG ASP A 30 -8.847 -4.310 -7.950 1.00 44.44 C ATOM 461 OD1 ASP A 30 -9.738 -3.442 -7.865 1.00 34.14 O ATOM 462 OD2 ASP A 30 -9.122 -5.508 -8.204 1.00 14.12 O ATOM 0 H ASP A 30 -5.076 -2.829 -7.740 1.00 70.40 H new ATOM 0 HA ASP A 30 -6.760 -4.085 -9.793 1.00 32.44 H new ATOM 0 HB2 ASP A 30 -6.821 -4.768 -7.375 1.00 24.23 H new ATOM 0 HB3 ASP A 30 -7.336 -3.150 -6.941 1.00 24.23 H new ATOM 467 N PRO A 31 -8.112 -2.127 -10.705 1.00 43.30 N ATOM 468 CA PRO A 31 -8.816 -0.958 -11.324 1.00 12.23 C ATOM 469 C PRO A 31 -9.968 -0.372 -10.466 1.00 54.53 C ATOM 470 O PRO A 31 -10.219 0.841 -10.518 1.00 42.50 O ATOM 471 CB PRO A 31 -9.360 -1.521 -12.671 1.00 31.40 C ATOM 472 CG PRO A 31 -9.404 -3.007 -12.481 1.00 51.23 C ATOM 473 CD PRO A 31 -8.241 -3.337 -11.568 1.00 74.32 C ATOM 0 HA PRO A 31 -8.131 -0.117 -11.436 1.00 12.23 H new ATOM 0 HB2 PRO A 31 -10.350 -1.122 -12.894 1.00 31.40 H new ATOM 0 HB3 PRO A 31 -8.711 -1.249 -13.503 1.00 31.40 H new ATOM 0 HG2 PRO A 31 -10.350 -3.317 -12.038 1.00 51.23 H new ATOM 0 HG3 PRO A 31 -9.313 -3.527 -13.435 1.00 51.23 H new ATOM 0 HD2 PRO A 31 -8.438 -4.231 -10.977 1.00 74.32 H new ATOM 0 HD3 PRO A 31 -7.328 -3.524 -12.134 1.00 74.32 H new ATOM 481 N ASP A 32 -10.664 -1.227 -9.692 1.00 24.42 N ATOM 482 CA ASP A 32 -11.816 -0.802 -8.852 1.00 25.41 C ATOM 483 C ASP A 32 -11.323 0.018 -7.647 1.00 12.23 C ATOM 484 O ASP A 32 -11.914 1.048 -7.293 1.00 0.03 O ATOM 485 CB ASP A 32 -12.634 -2.045 -8.389 1.00 44.55 C ATOM 486 CG ASP A 32 -13.754 -1.739 -7.364 1.00 52.52 C ATOM 487 OD1 ASP A 32 -14.832 -1.240 -7.774 1.00 75.03 O ATOM 488 OD2 ASP A 32 -13.575 -2.016 -6.150 1.00 34.52 O ATOM 0 H ASP A 32 -10.452 -2.223 -9.627 1.00 24.42 H new ATOM 0 HA ASP A 32 -12.473 -0.167 -9.447 1.00 25.41 H new ATOM 0 HB2 ASP A 32 -13.081 -2.515 -9.265 1.00 44.55 H new ATOM 0 HB3 ASP A 32 -11.949 -2.771 -7.952 1.00 44.55 H new ATOM 493 N THR A 33 -10.197 -0.423 -7.063 1.00 44.14 N ATOM 494 CA THR A 33 -9.624 0.192 -5.852 1.00 1.11 C ATOM 495 C THR A 33 -8.491 1.171 -6.201 1.00 20.02 C ATOM 496 O THR A 33 -7.921 1.804 -5.304 1.00 31.03 O ATOM 497 CB THR A 33 -9.136 -0.899 -4.850 1.00 51.23 C ATOM 498 OG1 THR A 33 -8.285 -1.841 -5.515 1.00 61.43 O ATOM 499 CG2 THR A 33 -10.307 -1.660 -4.209 1.00 33.35 C ATOM 0 H THR A 33 -9.658 -1.214 -7.415 1.00 44.14 H new ATOM 0 HA THR A 33 -10.414 0.765 -5.367 1.00 1.11 H new ATOM 0 HB THR A 33 -8.587 -0.382 -4.063 1.00 51.23 H new ATOM 0 HG1 THR A 33 -8.546 -2.752 -5.264 1.00 61.43 H new ATOM 0 HG21 THR A 33 -9.920 -2.409 -3.519 1.00 33.35 H new ATOM 0 HG22 THR A 33 -10.942 -0.960 -3.666 1.00 33.35 H new ATOM 0 HG23 THR A 33 -10.891 -2.151 -4.987 1.00 33.35 H new ATOM 507 N ASP A 34 -8.215 1.316 -7.520 1.00 2.20 N ATOM 508 CA ASP A 34 -7.267 2.309 -8.077 1.00 14.54 C ATOM 509 C ASP A 34 -7.629 3.737 -7.622 1.00 1.42 C ATOM 510 O ASP A 34 -6.751 4.586 -7.424 1.00 73.13 O ATOM 511 CB ASP A 34 -7.271 2.196 -9.629 1.00 60.11 C ATOM 512 CG ASP A 34 -6.423 3.263 -10.360 1.00 23.11 C ATOM 513 OD1 ASP A 34 -5.211 3.036 -10.589 1.00 53.30 O ATOM 514 OD2 ASP A 34 -6.973 4.324 -10.748 1.00 11.22 O ATOM 0 H ASP A 34 -8.652 0.737 -8.237 1.00 2.20 H new ATOM 0 HA ASP A 34 -6.264 2.099 -7.704 1.00 14.54 H new ATOM 0 HB2 ASP A 34 -6.905 1.208 -9.908 1.00 60.11 H new ATOM 0 HB3 ASP A 34 -8.300 2.266 -9.982 1.00 60.11 H new ATOM 519 N ALA A 35 -8.941 3.966 -7.420 1.00 15.54 N ATOM 520 CA ALA A 35 -9.497 5.264 -7.003 1.00 4.24 C ATOM 521 C ALA A 35 -8.938 5.747 -5.641 1.00 72.11 C ATOM 522 O ALA A 35 -8.655 6.939 -5.479 1.00 15.32 O ATOM 523 CB ALA A 35 -11.028 5.174 -6.959 1.00 54.32 C ATOM 0 H ALA A 35 -9.652 3.245 -7.544 1.00 15.54 H new ATOM 0 HA ALA A 35 -9.191 6.006 -7.740 1.00 4.24 H new ATOM 0 HB1 ALA A 35 -11.440 6.135 -6.650 1.00 54.32 H new ATOM 0 HB2 ALA A 35 -11.406 4.918 -7.949 1.00 54.32 H new ATOM 0 HB3 ALA A 35 -11.327 4.405 -6.247 1.00 54.32 H new ATOM 529 N LEU A 36 -8.771 4.819 -4.673 1.00 10.33 N ATOM 530 CA LEU A 36 -8.282 5.154 -3.311 1.00 35.24 C ATOM 531 C LEU A 36 -6.809 4.760 -3.116 1.00 33.41 C ATOM 532 O LEU A 36 -6.196 5.171 -2.131 1.00 72.40 O ATOM 533 CB LEU A 36 -9.172 4.491 -2.212 1.00 22.22 C ATOM 534 CG LEU A 36 -10.611 5.078 -2.040 1.00 4.22 C ATOM 535 CD1 LEU A 36 -11.365 4.387 -0.881 1.00 13.51 C ATOM 536 CD2 LEU A 36 -10.557 6.611 -1.832 1.00 75.24 C ATOM 0 H LEU A 36 -8.968 3.827 -4.808 1.00 10.33 H new ATOM 0 HA LEU A 36 -8.353 6.237 -3.208 1.00 35.24 H new ATOM 0 HB2 LEU A 36 -9.261 3.428 -2.438 1.00 22.22 H new ATOM 0 HB3 LEU A 36 -8.653 4.571 -1.257 1.00 22.22 H new ATOM 0 HG LEU A 36 -11.165 4.879 -2.957 1.00 4.22 H new ATOM 0 HD11 LEU A 36 -12.362 4.818 -0.788 1.00 13.51 H new ATOM 0 HD12 LEU A 36 -11.449 3.320 -1.086 1.00 13.51 H new ATOM 0 HD13 LEU A 36 -10.817 4.536 0.049 1.00 13.51 H new ATOM 0 HD21 LEU A 36 -11.569 6.998 -1.715 1.00 75.24 H new ATOM 0 HD22 LEU A 36 -9.976 6.837 -0.938 1.00 75.24 H new ATOM 0 HD23 LEU A 36 -10.088 7.079 -2.697 1.00 75.24 H new ATOM 548 N ILE A 37 -6.253 3.949 -4.031 1.00 54.14 N ATOM 549 CA ILE A 37 -4.839 3.543 -3.970 1.00 55.42 C ATOM 550 C ILE A 37 -4.368 3.061 -5.355 1.00 35.23 C ATOM 551 O ILE A 37 -4.940 2.134 -5.935 1.00 21.13 O ATOM 552 CB ILE A 37 -4.607 2.450 -2.863 1.00 62.31 C ATOM 553 CG1 ILE A 37 -3.101 2.033 -2.750 1.00 71.15 C ATOM 554 CG2 ILE A 37 -5.527 1.229 -3.080 1.00 45.34 C ATOM 555 CD1 ILE A 37 -2.784 1.109 -1.581 1.00 10.14 C ATOM 0 H ILE A 37 -6.763 3.560 -4.824 1.00 54.14 H new ATOM 0 HA ILE A 37 -4.239 4.409 -3.690 1.00 55.42 H new ATOM 0 HB ILE A 37 -4.877 2.898 -1.907 1.00 62.31 H new ATOM 0 HG12 ILE A 37 -2.804 1.541 -3.676 1.00 71.15 H new ATOM 0 HG13 ILE A 37 -2.494 2.934 -2.659 1.00 71.15 H new ATOM 0 HG21 ILE A 37 -5.343 0.491 -2.299 1.00 45.34 H new ATOM 0 HG22 ILE A 37 -6.569 1.547 -3.041 1.00 45.34 H new ATOM 0 HG23 ILE A 37 -5.320 0.786 -4.054 1.00 45.34 H new ATOM 0 HD11 ILE A 37 -1.720 0.873 -1.582 1.00 10.14 H new ATOM 0 HD12 ILE A 37 -3.045 1.603 -0.645 1.00 10.14 H new ATOM 0 HD13 ILE A 37 -3.360 0.189 -1.678 1.00 10.14 H new ATOM 567 N CYS A 38 -3.321 3.708 -5.882 1.00 64.41 N ATOM 568 CA CYS A 38 -2.835 3.460 -7.246 1.00 14.23 C ATOM 569 C CYS A 38 -1.301 3.452 -7.297 1.00 64.32 C ATOM 570 O CYS A 38 -0.643 4.160 -6.526 1.00 11.33 O ATOM 571 CB CYS A 38 -3.396 4.553 -8.171 1.00 12.22 C ATOM 572 SG CYS A 38 -2.927 6.236 -7.697 1.00 71.13 S ATOM 0 H CYS A 38 -2.788 4.416 -5.377 1.00 64.41 H new ATOM 0 HA CYS A 38 -3.176 2.479 -7.576 1.00 14.23 H new ATOM 0 HB2 CYS A 38 -3.052 4.365 -9.188 1.00 12.22 H new ATOM 0 HB3 CYS A 38 -4.484 4.480 -8.183 1.00 12.22 H new ATOM 0 HG CYS A 38 -3.445 7.083 -8.536 1.00 71.13 H new ATOM 578 N TRP A 39 -0.750 2.643 -8.223 1.00 24.43 N ATOM 579 CA TRP A 39 0.702 2.574 -8.482 1.00 45.42 C ATOM 580 C TRP A 39 1.140 3.773 -9.320 1.00 40.02 C ATOM 581 O TRP A 39 0.361 4.293 -10.131 1.00 73.12 O ATOM 582 CB TRP A 39 1.099 1.237 -9.191 1.00 4.22 C ATOM 583 CG TRP A 39 0.384 0.958 -10.505 1.00 50.15 C ATOM 584 CD1 TRP A 39 -0.919 0.572 -10.668 1.00 33.25 C ATOM 585 CD2 TRP A 39 0.943 1.009 -11.833 1.00 70.44 C ATOM 586 NE1 TRP A 39 -1.204 0.417 -11.999 1.00 63.45 N ATOM 587 CE2 TRP A 39 -0.084 0.677 -12.734 1.00 3.34 C ATOM 588 CE3 TRP A 39 2.205 1.316 -12.344 1.00 14.13 C ATOM 589 CZ2 TRP A 39 0.112 0.640 -14.112 1.00 72.20 C ATOM 590 CZ3 TRP A 39 2.404 1.275 -13.711 1.00 2.14 C ATOM 591 CH2 TRP A 39 1.361 0.942 -14.583 1.00 60.20 C ATOM 0 H TRP A 39 -1.299 2.018 -8.813 1.00 24.43 H new ATOM 0 HA TRP A 39 1.217 2.600 -7.521 1.00 45.42 H new ATOM 0 HB2 TRP A 39 2.173 1.249 -9.377 1.00 4.22 H new ATOM 0 HB3 TRP A 39 0.903 0.411 -8.508 1.00 4.22 H new ATOM 0 HD1 TRP A 39 -1.621 0.413 -9.863 1.00 33.25 H new ATOM 0 HE1 TRP A 39 -2.111 0.149 -12.381 1.00 63.45 H new ATOM 0 HE3 TRP A 39 3.015 1.582 -11.680 1.00 14.13 H new ATOM 0 HZ2 TRP A 39 -0.693 0.382 -14.785 1.00 72.20 H new ATOM 0 HZ3 TRP A 39 3.380 1.504 -14.113 1.00 2.14 H new ATOM 0 HH2 TRP A 39 1.545 0.923 -15.647 1.00 60.20 H new ATOM 602 N SER A 40 2.381 4.202 -9.106 1.00 21.04 N ATOM 603 CA SER A 40 3.011 5.257 -9.898 1.00 24.32 C ATOM 604 C SER A 40 3.557 4.633 -11.209 1.00 13.12 C ATOM 605 O SER A 40 4.019 3.501 -11.165 1.00 20.30 O ATOM 606 CB SER A 40 4.140 5.886 -9.063 1.00 71.15 C ATOM 607 OG SER A 40 3.660 6.366 -7.812 1.00 71.21 O ATOM 0 H SER A 40 2.983 3.825 -8.373 1.00 21.04 H new ATOM 0 HA SER A 40 2.296 6.038 -10.159 1.00 24.32 H new ATOM 0 HB2 SER A 40 4.923 5.147 -8.894 1.00 71.15 H new ATOM 0 HB3 SER A 40 4.591 6.707 -9.620 1.00 71.15 H new ATOM 0 HG SER A 40 4.357 6.258 -7.131 1.00 71.21 H new ATOM 613 N PRO A 41 3.521 5.355 -12.384 1.00 34.44 N ATOM 614 CA PRO A 41 3.896 4.791 -13.726 1.00 1.41 C ATOM 615 C PRO A 41 5.287 4.101 -13.789 1.00 74.45 C ATOM 616 O PRO A 41 5.520 3.264 -14.673 1.00 50.31 O ATOM 617 CB PRO A 41 3.825 6.024 -14.681 1.00 41.40 C ATOM 618 CG PRO A 41 3.762 7.229 -13.779 1.00 3.45 C ATOM 619 CD PRO A 41 3.079 6.770 -12.513 1.00 23.33 C ATOM 0 HA PRO A 41 3.220 3.980 -13.997 1.00 1.41 H new ATOM 0 HB2 PRO A 41 4.698 6.067 -15.332 1.00 41.40 H new ATOM 0 HB3 PRO A 41 2.948 5.971 -15.326 1.00 41.40 H new ATOM 0 HG2 PRO A 41 4.761 7.609 -13.567 1.00 3.45 H new ATOM 0 HG3 PRO A 41 3.206 8.040 -14.250 1.00 3.45 H new ATOM 0 HD2 PRO A 41 3.382 7.367 -11.653 1.00 23.33 H new ATOM 0 HD3 PRO A 41 1.994 6.848 -12.589 1.00 23.33 H new ATOM 627 N SER A 42 6.192 4.447 -12.855 1.00 23.03 N ATOM 628 CA SER A 42 7.520 3.812 -12.748 1.00 41.22 C ATOM 629 C SER A 42 7.421 2.424 -12.062 1.00 45.55 C ATOM 630 O SER A 42 8.139 1.484 -12.429 1.00 41.21 O ATOM 631 CB SER A 42 8.477 4.749 -11.991 1.00 13.53 C ATOM 632 OG SER A 42 8.581 6.001 -12.654 1.00 4.55 O ATOM 0 H SER A 42 6.025 5.171 -12.156 1.00 23.03 H new ATOM 0 HA SER A 42 7.917 3.644 -13.749 1.00 41.22 H new ATOM 0 HB2 SER A 42 8.117 4.899 -10.973 1.00 13.53 H new ATOM 0 HB3 SER A 42 9.462 4.288 -11.916 1.00 13.53 H new ATOM 0 HG SER A 42 9.192 6.584 -12.157 1.00 4.55 H new ATOM 638 N GLY A 43 6.536 2.319 -11.046 1.00 31.42 N ATOM 639 CA GLY A 43 6.126 1.023 -10.473 1.00 62.33 C ATOM 640 C GLY A 43 6.794 0.667 -9.144 1.00 4.24 C ATOM 641 O GLY A 43 6.541 -0.414 -8.610 1.00 34.30 O ATOM 0 H GLY A 43 6.091 3.124 -10.605 1.00 31.42 H new ATOM 0 HA2 GLY A 43 5.046 1.031 -10.329 1.00 62.33 H new ATOM 0 HA3 GLY A 43 6.346 0.237 -11.195 1.00 62.33 H new ATOM 645 N ASN A 44 7.609 1.591 -8.593 1.00 74.32 N ATOM 646 CA ASN A 44 8.415 1.357 -7.359 1.00 43.12 C ATOM 647 C ASN A 44 7.830 2.106 -6.147 1.00 11.15 C ATOM 648 O ASN A 44 8.376 2.034 -5.034 1.00 0.52 O ATOM 649 CB ASN A 44 9.902 1.758 -7.588 1.00 71.34 C ATOM 650 CG ASN A 44 10.073 3.196 -8.069 1.00 4.24 C ATOM 651 OD1 ASN A 44 10.202 4.125 -7.276 1.00 4.12 O ATOM 652 ND2 ASN A 44 10.052 3.393 -9.379 1.00 43.23 N ATOM 0 H ASN A 44 7.732 2.524 -8.986 1.00 74.32 H new ATOM 0 HA ASN A 44 8.373 0.291 -7.138 1.00 43.12 H new ATOM 0 HB2 ASN A 44 10.454 1.626 -6.658 1.00 71.34 H new ATOM 0 HB3 ASN A 44 10.344 1.082 -8.320 1.00 71.34 H new ATOM 0 HD21 ASN A 44 10.144 4.337 -9.754 1.00 43.23 H new ATOM 0 HD22 ASN A 44 9.943 2.601 -10.012 1.00 43.23 H new ATOM 659 N SER A 45 6.701 2.795 -6.362 1.00 53.42 N ATOM 660 CA SER A 45 6.002 3.554 -5.315 1.00 23.42 C ATOM 661 C SER A 45 4.494 3.527 -5.600 1.00 23.42 C ATOM 662 O SER A 45 4.072 3.279 -6.743 1.00 31.23 O ATOM 663 CB SER A 45 6.524 5.016 -5.242 1.00 43.22 C ATOM 664 OG SER A 45 6.328 5.720 -6.464 1.00 24.35 O ATOM 0 H SER A 45 6.244 2.842 -7.273 1.00 53.42 H new ATOM 0 HA SER A 45 6.197 3.091 -4.347 1.00 23.42 H new ATOM 0 HB2 SER A 45 6.013 5.542 -4.436 1.00 43.22 H new ATOM 0 HB3 SER A 45 7.586 5.009 -4.995 1.00 43.22 H new ATOM 0 HG SER A 45 6.669 6.634 -6.373 1.00 24.35 H new ATOM 670 N PHE A 46 3.686 3.758 -4.557 1.00 71.51 N ATOM 671 CA PHE A 46 2.222 3.838 -4.685 1.00 74.31 C ATOM 672 C PHE A 46 1.670 4.920 -3.754 1.00 73.33 C ATOM 673 O PHE A 46 2.260 5.215 -2.715 1.00 71.20 O ATOM 674 CB PHE A 46 1.563 2.461 -4.394 1.00 30.41 C ATOM 675 CG PHE A 46 1.782 1.898 -2.984 1.00 73.45 C ATOM 676 CD1 PHE A 46 2.930 1.169 -2.673 1.00 31.42 C ATOM 677 CD2 PHE A 46 0.833 2.083 -1.970 1.00 64.20 C ATOM 678 CE1 PHE A 46 3.125 0.648 -1.406 1.00 0.13 C ATOM 679 CE2 PHE A 46 1.031 1.560 -0.704 1.00 73.43 C ATOM 680 CZ PHE A 46 2.176 0.843 -0.424 1.00 10.21 C ATOM 0 H PHE A 46 4.025 3.894 -3.605 1.00 71.51 H new ATOM 0 HA PHE A 46 1.978 4.110 -5.712 1.00 74.31 H new ATOM 0 HB2 PHE A 46 0.490 2.550 -4.566 1.00 30.41 H new ATOM 0 HB3 PHE A 46 1.943 1.738 -5.116 1.00 30.41 H new ATOM 0 HD1 PHE A 46 3.679 1.009 -3.434 1.00 31.42 H new ATOM 0 HD2 PHE A 46 -0.067 2.642 -2.179 1.00 64.20 H new ATOM 0 HE1 PHE A 46 4.022 0.088 -1.186 1.00 0.13 H new ATOM 0 HE2 PHE A 46 0.289 1.713 0.065 1.00 73.43 H new ATOM 0 HZ PHE A 46 2.329 0.434 0.564 1.00 10.21 H new ATOM 690 N HIS A 47 0.524 5.493 -4.137 1.00 10.32 N ATOM 691 CA HIS A 47 -0.142 6.567 -3.388 1.00 4.11 C ATOM 692 C HIS A 47 -1.411 6.016 -2.732 1.00 61.24 C ATOM 693 O HIS A 47 -2.121 5.211 -3.333 1.00 41.12 O ATOM 694 CB HIS A 47 -0.506 7.734 -4.340 1.00 74.33 C ATOM 695 CG HIS A 47 0.670 8.523 -4.862 1.00 30.22 C ATOM 696 ND1 HIS A 47 0.738 9.895 -4.786 1.00 13.42 N ATOM 697 CD2 HIS A 47 1.801 8.135 -5.502 1.00 74.02 C ATOM 698 CE1 HIS A 47 1.850 10.315 -5.342 1.00 32.14 C ATOM 699 NE2 HIS A 47 2.512 9.271 -5.783 1.00 75.52 N ATOM 0 H HIS A 47 0.026 5.222 -4.985 1.00 10.32 H new ATOM 0 HA HIS A 47 0.533 6.941 -2.618 1.00 4.11 H new ATOM 0 HB2 HIS A 47 -1.059 7.332 -5.188 1.00 74.33 H new ATOM 0 HB3 HIS A 47 -1.177 8.415 -3.816 1.00 74.33 H new ATOM 0 HD2 HIS A 47 2.087 7.122 -5.744 1.00 74.02 H new ATOM 0 HE1 HIS A 47 2.167 11.344 -5.423 1.00 32.14 H new ATOM 0 HE2 HIS A 47 3.413 9.301 -6.260 1.00 75.52 H new ATOM 708 N VAL A 48 -1.689 6.475 -1.508 1.00 34.54 N ATOM 709 CA VAL A 48 -2.889 6.106 -0.751 1.00 32.43 C ATOM 710 C VAL A 48 -3.691 7.392 -0.501 1.00 1.44 C ATOM 711 O VAL A 48 -3.121 8.418 -0.102 1.00 52.03 O ATOM 712 CB VAL A 48 -2.541 5.411 0.619 1.00 3.13 C ATOM 713 CG1 VAL A 48 -3.825 4.988 1.362 1.00 20.12 C ATOM 714 CG2 VAL A 48 -1.587 4.206 0.426 1.00 64.15 C ATOM 0 H VAL A 48 -1.079 7.122 -1.009 1.00 34.54 H new ATOM 0 HA VAL A 48 -3.466 5.383 -1.327 1.00 32.43 H new ATOM 0 HB VAL A 48 -2.017 6.143 1.233 1.00 3.13 H new ATOM 0 HG11 VAL A 48 -3.559 4.510 2.305 1.00 20.12 H new ATOM 0 HG12 VAL A 48 -4.437 5.868 1.561 1.00 20.12 H new ATOM 0 HG13 VAL A 48 -4.387 4.286 0.746 1.00 20.12 H new ATOM 0 HG21 VAL A 48 -1.371 3.754 1.394 1.00 64.15 H new ATOM 0 HG22 VAL A 48 -2.060 3.468 -0.222 1.00 64.15 H new ATOM 0 HG23 VAL A 48 -0.658 4.547 -0.030 1.00 64.15 H new ATOM 724 N PHE A 49 -5.003 7.315 -0.735 1.00 31.45 N ATOM 725 CA PHE A 49 -5.911 8.472 -0.700 1.00 32.32 C ATOM 726 C PHE A 49 -7.035 8.224 0.294 1.00 72.12 C ATOM 727 O PHE A 49 -7.486 7.076 0.435 1.00 34.45 O ATOM 728 CB PHE A 49 -6.530 8.716 -2.099 1.00 3.22 C ATOM 729 CG PHE A 49 -5.506 9.000 -3.182 1.00 41.11 C ATOM 730 CD1 PHE A 49 -5.028 10.289 -3.383 1.00 31.14 C ATOM 731 CD2 PHE A 49 -5.004 7.972 -3.986 1.00 31.03 C ATOM 732 CE1 PHE A 49 -4.085 10.547 -4.348 1.00 15.34 C ATOM 733 CE2 PHE A 49 -4.053 8.236 -4.948 1.00 51.22 C ATOM 734 CZ PHE A 49 -3.596 9.523 -5.129 1.00 70.14 C ATOM 0 H PHE A 49 -5.474 6.438 -0.957 1.00 31.45 H new ATOM 0 HA PHE A 49 -5.335 9.347 -0.398 1.00 32.32 H new ATOM 0 HB2 PHE A 49 -7.114 7.841 -2.385 1.00 3.22 H new ATOM 0 HB3 PHE A 49 -7.223 9.556 -2.038 1.00 3.22 H new ATOM 0 HD1 PHE A 49 -5.402 11.098 -2.773 1.00 31.14 H new ATOM 0 HD2 PHE A 49 -5.364 6.963 -3.852 1.00 31.03 H new ATOM 0 HE1 PHE A 49 -3.726 11.555 -4.495 1.00 15.34 H new ATOM 0 HE2 PHE A 49 -3.666 7.434 -5.560 1.00 51.22 H new ATOM 0 HZ PHE A 49 -2.853 9.730 -5.885 1.00 70.14 H new ATOM 744 N ASP A 50 -7.491 9.327 0.930 1.00 63.43 N ATOM 745 CA ASP A 50 -8.636 9.339 1.856 1.00 22.12 C ATOM 746 C ASP A 50 -8.532 8.208 2.888 1.00 74.35 C ATOM 747 O ASP A 50 -9.359 7.309 2.909 1.00 61.02 O ATOM 748 CB ASP A 50 -9.978 9.302 1.065 1.00 5.24 C ATOM 749 CG ASP A 50 -10.236 10.600 0.269 1.00 11.10 C ATOM 750 OD1 ASP A 50 -9.539 10.841 -0.744 1.00 63.24 O ATOM 751 OD2 ASP A 50 -11.136 11.392 0.657 1.00 74.23 O ATOM 0 H ASP A 50 -7.064 10.246 0.809 1.00 63.43 H new ATOM 0 HA ASP A 50 -8.617 10.272 2.419 1.00 22.12 H new ATOM 0 HB2 ASP A 50 -9.967 8.456 0.378 1.00 5.24 H new ATOM 0 HB3 ASP A 50 -10.801 9.138 1.761 1.00 5.24 H new ATOM 756 N GLN A 51 -7.477 8.275 3.722 1.00 3.15 N ATOM 757 CA GLN A 51 -7.093 7.204 4.670 1.00 52.33 C ATOM 758 C GLN A 51 -8.240 6.784 5.614 1.00 0.25 C ATOM 759 O GLN A 51 -8.300 5.623 6.025 1.00 65.15 O ATOM 760 CB GLN A 51 -5.833 7.629 5.461 1.00 0.01 C ATOM 761 CG GLN A 51 -4.566 7.740 4.585 1.00 35.31 C ATOM 762 CD GLN A 51 -3.322 8.164 5.360 1.00 52.43 C ATOM 763 OE1 GLN A 51 -3.396 8.919 6.329 1.00 42.35 O ATOM 764 NE2 GLN A 51 -2.168 7.653 4.955 1.00 54.30 N ATOM 0 H GLN A 51 -6.857 9.084 3.759 1.00 3.15 H new ATOM 0 HA GLN A 51 -6.863 6.317 4.080 1.00 52.33 H new ATOM 0 HB2 GLN A 51 -6.020 8.591 5.939 1.00 0.01 H new ATOM 0 HB3 GLN A 51 -5.653 6.907 6.257 1.00 0.01 H new ATOM 0 HG2 GLN A 51 -4.377 6.777 4.110 1.00 35.31 H new ATOM 0 HG3 GLN A 51 -4.749 8.459 3.786 1.00 35.31 H new ATOM 0 HE21 GLN A 51 -2.141 7.030 4.148 1.00 54.30 H new ATOM 0 HE22 GLN A 51 -1.307 7.883 5.451 1.00 54.30 H new ATOM 773 N GLY A 52 -9.152 7.724 5.918 1.00 24.41 N ATOM 774 CA GLY A 52 -10.372 7.416 6.671 1.00 14.22 C ATOM 775 C GLY A 52 -11.289 6.446 5.921 1.00 2.12 C ATOM 776 O GLY A 52 -11.781 5.474 6.504 1.00 14.10 O ATOM 0 H GLY A 52 -9.063 8.704 5.651 1.00 24.41 H new ATOM 0 HA2 GLY A 52 -10.102 6.985 7.635 1.00 14.22 H new ATOM 0 HA3 GLY A 52 -10.913 8.340 6.875 1.00 14.22 H new ATOM 780 N GLN A 53 -11.489 6.711 4.613 1.00 53.33 N ATOM 781 CA GLN A 53 -12.361 5.902 3.733 1.00 52.41 C ATOM 782 C GLN A 53 -11.684 4.556 3.386 1.00 45.44 C ATOM 783 O GLN A 53 -12.310 3.493 3.454 1.00 31.34 O ATOM 784 CB GLN A 53 -12.679 6.695 2.433 1.00 73.02 C ATOM 785 CG GLN A 53 -13.753 6.050 1.527 1.00 72.13 C ATOM 786 CD GLN A 53 -15.134 5.978 2.189 1.00 24.55 C ATOM 787 OE1 GLN A 53 -15.499 6.830 2.999 1.00 32.24 O ATOM 788 NE2 GLN A 53 -15.918 4.973 1.843 1.00 10.55 N ATOM 0 H GLN A 53 -11.048 7.496 4.134 1.00 53.33 H new ATOM 0 HA GLN A 53 -13.292 5.692 4.260 1.00 52.41 H new ATOM 0 HB2 GLN A 53 -13.009 7.697 2.707 1.00 73.02 H new ATOM 0 HB3 GLN A 53 -11.759 6.808 1.859 1.00 73.02 H new ATOM 0 HG2 GLN A 53 -13.830 6.621 0.602 1.00 72.13 H new ATOM 0 HG3 GLN A 53 -13.434 5.044 1.255 1.00 72.13 H new ATOM 0 HE21 GLN A 53 -15.592 4.280 1.169 1.00 10.55 H new ATOM 0 HE22 GLN A 53 -16.850 4.890 2.249 1.00 10.55 H new ATOM 797 N PHE A 54 -10.390 4.647 3.026 1.00 21.35 N ATOM 798 CA PHE A 54 -9.516 3.519 2.668 1.00 3.42 C ATOM 799 C PHE A 54 -9.482 2.465 3.787 1.00 13.41 C ATOM 800 O PHE A 54 -9.734 1.283 3.551 1.00 21.31 O ATOM 801 CB PHE A 54 -8.087 4.082 2.367 1.00 3.52 C ATOM 802 CG PHE A 54 -7.001 3.041 2.077 1.00 22.31 C ATOM 803 CD1 PHE A 54 -6.833 2.512 0.797 1.00 44.04 C ATOM 804 CD2 PHE A 54 -6.143 2.592 3.089 1.00 20.53 C ATOM 805 CE1 PHE A 54 -5.851 1.569 0.547 1.00 71.31 C ATOM 806 CE2 PHE A 54 -5.166 1.649 2.828 1.00 70.54 C ATOM 807 CZ PHE A 54 -5.021 1.138 1.559 1.00 62.12 C ATOM 0 H PHE A 54 -9.908 5.544 2.975 1.00 21.35 H new ATOM 0 HA PHE A 54 -9.904 3.017 1.782 1.00 3.42 H new ATOM 0 HB2 PHE A 54 -8.156 4.754 1.511 1.00 3.52 H new ATOM 0 HB3 PHE A 54 -7.768 4.683 3.219 1.00 3.52 H new ATOM 0 HD1 PHE A 54 -7.475 2.841 -0.006 1.00 44.04 H new ATOM 0 HD2 PHE A 54 -6.246 2.988 4.088 1.00 20.53 H new ATOM 0 HE1 PHE A 54 -5.734 1.168 -0.449 1.00 71.31 H new ATOM 0 HE2 PHE A 54 -4.515 1.313 3.622 1.00 70.54 H new ATOM 0 HZ PHE A 54 -4.258 0.401 1.356 1.00 62.12 H new ATOM 817 N ALA A 55 -9.187 2.906 5.013 1.00 70.15 N ATOM 818 CA ALA A 55 -9.102 2.002 6.171 1.00 73.25 C ATOM 819 C ALA A 55 -10.469 1.399 6.538 1.00 25.01 C ATOM 820 O ALA A 55 -10.541 0.317 7.125 1.00 2.43 O ATOM 821 CB ALA A 55 -8.508 2.729 7.374 1.00 12.31 C ATOM 0 H ALA A 55 -9.002 3.885 5.233 1.00 70.15 H new ATOM 0 HA ALA A 55 -8.446 1.179 5.888 1.00 73.25 H new ATOM 0 HB1 ALA A 55 -8.453 2.045 8.221 1.00 12.31 H new ATOM 0 HB2 ALA A 55 -7.507 3.083 7.127 1.00 12.31 H new ATOM 0 HB3 ALA A 55 -9.140 3.579 7.634 1.00 12.31 H new ATOM 827 N LYS A 56 -11.538 2.121 6.186 1.00 24.32 N ATOM 828 CA LYS A 56 -12.919 1.735 6.493 1.00 75.03 C ATOM 829 C LYS A 56 -13.416 0.587 5.597 1.00 71.21 C ATOM 830 O LYS A 56 -13.955 -0.394 6.111 1.00 72.35 O ATOM 831 CB LYS A 56 -13.828 3.007 6.435 1.00 75.21 C ATOM 832 CG LYS A 56 -15.363 2.792 6.276 1.00 71.25 C ATOM 833 CD LYS A 56 -15.835 2.845 4.799 1.00 62.50 C ATOM 834 CE LYS A 56 -17.318 2.495 4.635 1.00 12.43 C ATOM 835 NZ LYS A 56 -18.205 3.426 5.392 1.00 73.15 N ATOM 0 H LYS A 56 -11.468 3.000 5.674 1.00 24.32 H new ATOM 0 HA LYS A 56 -12.965 1.332 7.505 1.00 75.03 H new ATOM 0 HB2 LYS A 56 -13.662 3.580 7.347 1.00 75.21 H new ATOM 0 HB3 LYS A 56 -13.488 3.625 5.604 1.00 75.21 H new ATOM 0 HG2 LYS A 56 -15.635 1.827 6.704 1.00 71.25 H new ATOM 0 HG3 LYS A 56 -15.892 3.555 6.848 1.00 71.25 H new ATOM 0 HD2 LYS A 56 -15.656 3.844 4.401 1.00 62.50 H new ATOM 0 HD3 LYS A 56 -15.236 2.154 4.206 1.00 62.50 H new ATOM 0 HE2 LYS A 56 -17.581 2.524 3.578 1.00 12.43 H new ATOM 0 HE3 LYS A 56 -17.489 1.474 4.978 1.00 12.43 H new ATOM 0 HZ1 LYS A 56 -19.200 3.182 5.211 1.00 73.15 H new ATOM 0 HZ2 LYS A 56 -18.008 3.343 6.410 1.00 73.15 H new ATOM 0 HZ3 LYS A 56 -18.027 4.403 5.084 1.00 73.15 H new ATOM 849 N GLU A 57 -13.248 0.705 4.264 1.00 3.52 N ATOM 850 CA GLU A 57 -13.785 -0.300 3.304 1.00 20.41 C ATOM 851 C GLU A 57 -12.688 -1.213 2.721 1.00 32.12 C ATOM 852 O GLU A 57 -12.878 -2.429 2.636 1.00 5.33 O ATOM 853 CB GLU A 57 -14.574 0.384 2.148 1.00 72.25 C ATOM 854 CG GLU A 57 -13.788 1.452 1.353 1.00 20.44 C ATOM 855 CD GLU A 57 -14.442 1.812 0.012 1.00 34.13 C ATOM 856 OE1 GLU A 57 -14.218 1.095 -0.978 1.00 61.25 O ATOM 857 OE2 GLU A 57 -15.192 2.799 -0.055 1.00 11.12 O ATOM 0 H GLU A 57 -12.749 1.478 3.823 1.00 3.52 H new ATOM 0 HA GLU A 57 -14.466 -0.928 3.878 1.00 20.41 H new ATOM 0 HB2 GLU A 57 -14.911 -0.387 1.455 1.00 72.25 H new ATOM 0 HB3 GLU A 57 -15.467 0.850 2.565 1.00 72.25 H new ATOM 0 HG2 GLU A 57 -13.698 2.353 1.959 1.00 20.44 H new ATOM 0 HG3 GLU A 57 -12.777 1.088 1.170 1.00 20.44 H new ATOM 864 N VAL A 58 -11.545 -0.627 2.360 1.00 21.12 N ATOM 865 CA VAL A 58 -10.516 -1.301 1.545 1.00 11.23 C ATOM 866 C VAL A 58 -9.689 -2.310 2.379 1.00 52.11 C ATOM 867 O VAL A 58 -9.409 -3.426 1.912 1.00 30.14 O ATOM 868 CB VAL A 58 -9.564 -0.243 0.883 1.00 61.30 C ATOM 869 CG1 VAL A 58 -8.397 -0.912 0.151 1.00 24.43 C ATOM 870 CG2 VAL A 58 -10.344 0.705 -0.062 1.00 32.44 C ATOM 0 H VAL A 58 -11.301 0.328 2.621 1.00 21.12 H new ATOM 0 HA VAL A 58 -11.033 -1.860 0.765 1.00 11.23 H new ATOM 0 HB VAL A 58 -9.144 0.360 1.688 1.00 61.30 H new ATOM 0 HG11 VAL A 58 -7.760 -0.147 -0.294 1.00 24.43 H new ATOM 0 HG12 VAL A 58 -7.815 -1.503 0.858 1.00 24.43 H new ATOM 0 HG13 VAL A 58 -8.784 -1.563 -0.633 1.00 24.43 H new ATOM 0 HG21 VAL A 58 -9.656 1.425 -0.504 1.00 32.44 H new ATOM 0 HG22 VAL A 58 -10.817 0.122 -0.853 1.00 32.44 H new ATOM 0 HG23 VAL A 58 -11.109 1.235 0.505 1.00 32.44 H new ATOM 880 N LEU A 59 -9.285 -1.898 3.600 1.00 12.11 N ATOM 881 CA LEU A 59 -8.498 -2.771 4.496 1.00 0.52 C ATOM 882 C LEU A 59 -9.271 -4.077 4.872 1.00 61.30 C ATOM 883 O LEU A 59 -8.739 -5.154 4.636 1.00 53.22 O ATOM 884 CB LEU A 59 -7.977 -2.027 5.765 1.00 71.05 C ATOM 885 CG LEU A 59 -6.900 -0.924 5.541 1.00 55.45 C ATOM 886 CD1 LEU A 59 -6.355 -0.399 6.891 1.00 51.41 C ATOM 887 CD2 LEU A 59 -5.764 -1.422 4.624 1.00 32.53 C ATOM 0 H LEU A 59 -9.489 -0.975 3.985 1.00 12.11 H new ATOM 0 HA LEU A 59 -7.616 -3.066 3.927 1.00 0.52 H new ATOM 0 HB2 LEU A 59 -8.831 -1.571 6.266 1.00 71.05 H new ATOM 0 HB3 LEU A 59 -7.566 -2.769 6.449 1.00 71.05 H new ATOM 0 HG LEU A 59 -7.380 -0.088 5.032 1.00 55.45 H new ATOM 0 HD11 LEU A 59 -5.605 0.370 6.706 1.00 51.41 H new ATOM 0 HD12 LEU A 59 -7.173 0.025 7.474 1.00 51.41 H new ATOM 0 HD13 LEU A 59 -5.903 -1.221 7.445 1.00 51.41 H new ATOM 0 HD21 LEU A 59 -5.030 -0.627 4.489 1.00 32.53 H new ATOM 0 HD22 LEU A 59 -5.282 -2.287 5.079 1.00 32.53 H new ATOM 0 HD23 LEU A 59 -6.176 -1.704 3.655 1.00 32.53 H new ATOM 899 N PRO A 60 -10.537 -4.034 5.434 1.00 74.12 N ATOM 900 CA PRO A 60 -11.298 -5.283 5.773 1.00 30.41 C ATOM 901 C PRO A 60 -11.699 -6.127 4.527 1.00 23.23 C ATOM 902 O PRO A 60 -12.142 -7.281 4.665 1.00 41.13 O ATOM 903 CB PRO A 60 -12.542 -4.758 6.547 1.00 53.24 C ATOM 904 CG PRO A 60 -12.688 -3.324 6.141 1.00 54.50 C ATOM 905 CD PRO A 60 -11.302 -2.815 5.826 1.00 41.13 C ATOM 0 HA PRO A 60 -10.691 -5.975 6.356 1.00 30.41 H new ATOM 0 HB2 PRO A 60 -13.434 -5.331 6.292 1.00 53.24 H new ATOM 0 HB3 PRO A 60 -12.402 -4.849 7.624 1.00 53.24 H new ATOM 0 HG2 PRO A 60 -13.340 -3.233 5.272 1.00 54.50 H new ATOM 0 HG3 PRO A 60 -13.141 -2.740 6.942 1.00 54.50 H new ATOM 0 HD2 PRO A 60 -11.322 -2.082 5.019 1.00 41.13 H new ATOM 0 HD3 PRO A 60 -10.853 -2.325 6.690 1.00 41.13 H new ATOM 913 N LYS A 61 -11.553 -5.531 3.335 1.00 50.52 N ATOM 914 CA LYS A 61 -11.828 -6.187 2.043 1.00 14.24 C ATOM 915 C LYS A 61 -10.675 -7.132 1.638 1.00 71.13 C ATOM 916 O LYS A 61 -10.872 -8.350 1.524 1.00 25.15 O ATOM 917 CB LYS A 61 -12.066 -5.088 0.974 1.00 54.13 C ATOM 918 CG LYS A 61 -12.424 -5.585 -0.438 1.00 21.42 C ATOM 919 CD LYS A 61 -12.734 -4.412 -1.398 1.00 55.41 C ATOM 920 CE LYS A 61 -13.065 -4.871 -2.826 1.00 54.14 C ATOM 921 NZ LYS A 61 -13.356 -3.716 -3.726 1.00 44.42 N ATOM 0 H LYS A 61 -11.236 -4.566 3.237 1.00 50.52 H new ATOM 0 HA LYS A 61 -12.720 -6.807 2.129 1.00 14.24 H new ATOM 0 HB2 LYS A 61 -12.868 -4.438 1.323 1.00 54.13 H new ATOM 0 HB3 LYS A 61 -11.167 -4.476 0.905 1.00 54.13 H new ATOM 0 HG2 LYS A 61 -11.597 -6.173 -0.837 1.00 21.42 H new ATOM 0 HG3 LYS A 61 -13.288 -6.247 -0.382 1.00 21.42 H new ATOM 0 HD2 LYS A 61 -13.574 -3.840 -1.003 1.00 55.41 H new ATOM 0 HD3 LYS A 61 -11.877 -3.740 -1.429 1.00 55.41 H new ATOM 0 HE2 LYS A 61 -12.228 -5.443 -3.227 1.00 54.14 H new ATOM 0 HE3 LYS A 61 -13.926 -5.540 -2.803 1.00 54.14 H new ATOM 0 HZ1 LYS A 61 -13.989 -4.023 -4.491 1.00 44.42 H new ATOM 0 HZ2 LYS A 61 -13.814 -2.958 -3.181 1.00 44.42 H new ATOM 0 HZ3 LYS A 61 -12.467 -3.361 -4.134 1.00 44.42 H new ATOM 935 N TYR A 62 -9.475 -6.561 1.435 1.00 2.33 N ATOM 936 CA TYR A 62 -8.271 -7.330 1.036 1.00 51.15 C ATOM 937 C TYR A 62 -7.659 -8.043 2.246 1.00 25.31 C ATOM 938 O TYR A 62 -7.421 -9.253 2.224 1.00 32.50 O ATOM 939 CB TYR A 62 -7.235 -6.402 0.348 1.00 2.33 C ATOM 940 CG TYR A 62 -7.639 -6.017 -1.074 1.00 53.31 C ATOM 941 CD1 TYR A 62 -8.641 -5.075 -1.305 1.00 43.22 C ATOM 942 CD2 TYR A 62 -7.050 -6.630 -2.184 1.00 23.53 C ATOM 943 CE1 TYR A 62 -9.033 -4.752 -2.587 1.00 24.21 C ATOM 944 CE2 TYR A 62 -7.446 -6.314 -3.466 1.00 0.41 C ATOM 945 CZ TYR A 62 -8.438 -5.375 -3.662 1.00 72.24 C ATOM 946 OH TYR A 62 -8.841 -5.060 -4.938 1.00 52.53 O ATOM 0 H TYR A 62 -9.307 -5.560 1.541 1.00 2.33 H new ATOM 0 HA TYR A 62 -8.570 -8.092 0.316 1.00 51.15 H new ATOM 0 HB2 TYR A 62 -7.112 -5.497 0.944 1.00 2.33 H new ATOM 0 HB3 TYR A 62 -6.266 -6.901 0.323 1.00 2.33 H new ATOM 0 HD1 TYR A 62 -9.118 -4.590 -0.466 1.00 43.22 H new ATOM 0 HD2 TYR A 62 -6.272 -7.364 -2.034 1.00 23.53 H new ATOM 0 HE1 TYR A 62 -9.804 -4.013 -2.748 1.00 24.21 H new ATOM 0 HE2 TYR A 62 -6.982 -6.799 -4.312 1.00 0.41 H new ATOM 0 HH TYR A 62 -8.323 -5.585 -5.584 1.00 52.53 H new ATOM 956 N PHE A 63 -7.440 -7.282 3.303 1.00 4.25 N ATOM 957 CA PHE A 63 -6.952 -7.803 4.593 1.00 52.21 C ATOM 958 C PHE A 63 -8.193 -8.196 5.438 1.00 73.22 C ATOM 959 O PHE A 63 -9.294 -8.287 4.883 1.00 74.10 O ATOM 960 CB PHE A 63 -6.078 -6.709 5.271 1.00 25.12 C ATOM 961 CG PHE A 63 -5.055 -6.069 4.323 1.00 53.22 C ATOM 962 CD1 PHE A 63 -3.817 -6.660 4.089 1.00 31.30 C ATOM 963 CD2 PHE A 63 -5.354 -4.886 3.638 1.00 3.13 C ATOM 964 CE1 PHE A 63 -2.918 -6.090 3.211 1.00 63.01 C ATOM 965 CE2 PHE A 63 -4.451 -4.323 2.751 1.00 54.15 C ATOM 966 CZ PHE A 63 -3.233 -4.926 2.541 1.00 52.21 C ATOM 0 H PHE A 63 -7.594 -6.274 3.303 1.00 4.25 H new ATOM 0 HA PHE A 63 -6.326 -8.688 4.477 1.00 52.21 H new ATOM 0 HB2 PHE A 63 -6.729 -5.931 5.670 1.00 25.12 H new ATOM 0 HB3 PHE A 63 -5.551 -7.149 6.118 1.00 25.12 H new ATOM 0 HD1 PHE A 63 -3.557 -7.575 4.600 1.00 31.30 H new ATOM 0 HD2 PHE A 63 -6.306 -4.403 3.804 1.00 3.13 H new ATOM 0 HE1 PHE A 63 -1.959 -6.559 3.047 1.00 63.01 H new ATOM 0 HE2 PHE A 63 -4.703 -3.413 2.226 1.00 54.15 H new ATOM 0 HZ PHE A 63 -2.524 -4.489 1.853 1.00 52.21 H new ATOM 976 N LYS A 64 -8.049 -8.444 6.749 1.00 64.12 N ATOM 977 CA LYS A 64 -9.199 -8.869 7.605 1.00 44.23 C ATOM 978 C LYS A 64 -9.281 -7.994 8.870 1.00 54.14 C ATOM 979 O LYS A 64 -9.571 -8.478 9.968 1.00 23.02 O ATOM 980 CB LYS A 64 -9.086 -10.393 7.950 1.00 53.51 C ATOM 981 CG LYS A 64 -9.384 -11.384 6.771 1.00 72.13 C ATOM 982 CD LYS A 64 -10.892 -11.758 6.588 1.00 1.43 C ATOM 983 CE LYS A 64 -11.789 -10.615 6.068 1.00 53.23 C ATOM 984 NZ LYS A 64 -11.388 -10.134 4.715 1.00 74.00 N ATOM 0 H LYS A 64 -7.163 -8.363 7.248 1.00 64.12 H new ATOM 0 HA LYS A 64 -10.128 -8.727 7.052 1.00 44.23 H new ATOM 0 HB2 LYS A 64 -8.079 -10.589 8.319 1.00 53.51 H new ATOM 0 HB3 LYS A 64 -9.773 -10.613 8.767 1.00 53.51 H new ATOM 0 HG2 LYS A 64 -9.020 -10.942 5.844 1.00 72.13 H new ATOM 0 HG3 LYS A 64 -8.815 -12.300 6.933 1.00 72.13 H new ATOM 0 HD2 LYS A 64 -10.961 -12.597 5.896 1.00 1.43 H new ATOM 0 HD3 LYS A 64 -11.285 -12.101 7.545 1.00 1.43 H new ATOM 0 HE2 LYS A 64 -12.823 -10.958 6.035 1.00 53.23 H new ATOM 0 HE3 LYS A 64 -11.752 -9.782 6.770 1.00 53.23 H new ATOM 0 HZ1 LYS A 64 -12.117 -9.491 4.345 1.00 74.00 H new ATOM 0 HZ2 LYS A 64 -10.482 -9.628 4.781 1.00 74.00 H new ATOM 0 HZ3 LYS A 64 -11.285 -10.947 4.074 1.00 74.00 H new ATOM 998 N HIS A 65 -9.106 -6.684 8.665 1.00 4.54 N ATOM 999 CA HIS A 65 -9.049 -5.683 9.748 1.00 4.15 C ATOM 1000 C HIS A 65 -9.253 -4.282 9.142 1.00 45.25 C ATOM 1001 O HIS A 65 -9.064 -4.107 7.945 1.00 42.35 O ATOM 1002 CB HIS A 65 -7.680 -5.766 10.497 1.00 21.12 C ATOM 1003 CG HIS A 65 -6.506 -5.240 9.697 1.00 35.13 C ATOM 1004 ND1 HIS A 65 -5.921 -4.020 9.948 1.00 63.43 N ATOM 1005 CD2 HIS A 65 -5.854 -5.741 8.620 1.00 71.44 C ATOM 1006 CE1 HIS A 65 -4.978 -3.789 9.063 1.00 1.52 C ATOM 1007 NE2 HIS A 65 -4.910 -4.816 8.245 1.00 40.41 N ATOM 0 H HIS A 65 -8.998 -6.280 7.735 1.00 4.54 H new ATOM 0 HA HIS A 65 -9.838 -5.883 10.473 1.00 4.15 H new ATOM 0 HB2 HIS A 65 -7.753 -5.204 11.428 1.00 21.12 H new ATOM 0 HB3 HIS A 65 -7.487 -6.805 10.766 1.00 21.12 H new ATOM 0 HD1 HIS A 65 -6.180 -3.390 10.707 1.00 63.43 H new ATOM 0 HD2 HIS A 65 -6.042 -6.692 8.144 1.00 71.44 H new ATOM 0 HE1 HIS A 65 -4.362 -2.903 9.015 1.00 1.52 H new ATOM 1016 N ASN A 66 -9.587 -3.297 9.985 1.00 3.41 N ATOM 1017 CA ASN A 66 -9.698 -1.875 9.570 1.00 13.30 C ATOM 1018 C ASN A 66 -8.459 -1.149 10.137 1.00 44.13 C ATOM 1019 O ASN A 66 -7.396 -1.776 10.226 1.00 22.32 O ATOM 1020 CB ASN A 66 -11.021 -1.244 10.087 1.00 21.42 C ATOM 1021 CG ASN A 66 -12.283 -1.949 9.599 1.00 33.12 C ATOM 1022 OD1 ASN A 66 -12.653 -3.012 10.097 1.00 71.20 O ATOM 1023 ND2 ASN A 66 -12.980 -1.330 8.666 1.00 35.33 N ATOM 0 H ASN A 66 -9.789 -3.453 10.973 1.00 3.41 H new ATOM 0 HA ASN A 66 -9.727 -1.785 8.484 1.00 13.30 H new ATOM 0 HB2 ASN A 66 -11.012 -1.252 11.177 1.00 21.42 H new ATOM 0 HB3 ASN A 66 -11.058 -0.200 9.776 1.00 21.42 H new ATOM 0 HD21 ASN A 66 -13.857 -1.731 8.334 1.00 35.33 H new ATOM 0 HD22 ASN A 66 -12.642 -0.450 8.276 1.00 35.33 H new ATOM 1030 N ASN A 67 -8.575 0.155 10.479 1.00 1.00 N ATOM 1031 CA ASN A 67 -7.539 0.905 11.235 1.00 22.24 C ATOM 1032 C ASN A 67 -6.261 1.122 10.390 1.00 73.41 C ATOM 1033 O ASN A 67 -5.464 0.195 10.188 1.00 70.13 O ATOM 1034 CB ASN A 67 -7.232 0.215 12.600 1.00 43.11 C ATOM 1035 CG ASN A 67 -6.236 0.986 13.472 1.00 32.32 C ATOM 1036 OD1 ASN A 67 -5.035 0.735 13.436 1.00 71.12 O ATOM 1037 ND2 ASN A 67 -6.726 1.939 14.254 1.00 61.21 N ATOM 0 H ASN A 67 -9.390 0.720 10.239 1.00 1.00 H new ATOM 0 HA ASN A 67 -7.938 1.895 11.456 1.00 22.24 H new ATOM 0 HB2 ASN A 67 -8.164 0.091 13.152 1.00 43.11 H new ATOM 0 HB3 ASN A 67 -6.838 -0.784 12.411 1.00 43.11 H new ATOM 0 HD21 ASN A 67 -6.100 2.485 14.846 1.00 61.21 H new ATOM 0 HD22 ASN A 67 -7.729 2.126 14.263 1.00 61.21 H new ATOM 1044 N MET A 68 -6.082 2.367 9.917 1.00 31.30 N ATOM 1045 CA MET A 68 -4.970 2.744 9.020 1.00 25.31 C ATOM 1046 C MET A 68 -3.631 2.728 9.772 1.00 41.43 C ATOM 1047 O MET A 68 -2.587 2.474 9.173 1.00 12.11 O ATOM 1048 CB MET A 68 -5.233 4.131 8.388 1.00 44.11 C ATOM 1049 CG MET A 68 -4.211 4.576 7.348 1.00 64.24 C ATOM 1050 SD MET A 68 -4.179 3.474 5.927 1.00 3.24 S ATOM 1051 CE MET A 68 -3.052 4.354 4.863 1.00 2.12 C ATOM 0 H MET A 68 -6.704 3.143 10.145 1.00 31.30 H new ATOM 0 HA MET A 68 -4.911 2.008 8.218 1.00 25.31 H new ATOM 0 HB2 MET A 68 -6.219 4.119 7.923 1.00 44.11 H new ATOM 0 HB3 MET A 68 -5.265 4.875 9.184 1.00 44.11 H new ATOM 0 HG2 MET A 68 -4.446 5.588 7.018 1.00 64.24 H new ATOM 0 HG3 MET A 68 -3.221 4.611 7.803 1.00 64.24 H new ATOM 0 HE1 MET A 68 -2.646 3.670 4.117 1.00 2.12 H new ATOM 0 HE2 MET A 68 -3.582 5.164 4.362 1.00 2.12 H new ATOM 0 HE3 MET A 68 -2.237 4.767 5.458 1.00 2.12 H new ATOM 1061 N ALA A 69 -3.682 2.975 11.096 1.00 45.12 N ATOM 1062 CA ALA A 69 -2.496 2.928 11.973 1.00 31.12 C ATOM 1063 C ALA A 69 -1.802 1.551 11.905 1.00 53.34 C ATOM 1064 O ALA A 69 -0.572 1.470 11.894 1.00 62.31 O ATOM 1065 CB ALA A 69 -2.898 3.262 13.414 1.00 53.01 C ATOM 0 H ALA A 69 -4.544 3.212 11.586 1.00 45.12 H new ATOM 0 HA ALA A 69 -1.781 3.673 11.623 1.00 31.12 H new ATOM 0 HB1 ALA A 69 -2.017 3.225 14.055 1.00 53.01 H new ATOM 0 HB2 ALA A 69 -3.331 4.262 13.449 1.00 53.01 H new ATOM 0 HB3 ALA A 69 -3.632 2.537 13.764 1.00 53.01 H new ATOM 1071 N SER A 70 -2.628 0.487 11.846 1.00 54.43 N ATOM 1072 CA SER A 70 -2.176 -0.908 11.721 1.00 71.20 C ATOM 1073 C SER A 70 -1.486 -1.156 10.365 1.00 30.41 C ATOM 1074 O SER A 70 -0.427 -1.790 10.305 1.00 41.02 O ATOM 1075 CB SER A 70 -3.395 -1.845 11.883 1.00 75.43 C ATOM 1076 OG SER A 70 -3.031 -3.214 11.820 1.00 41.42 O ATOM 0 H SER A 70 -3.643 0.577 11.885 1.00 54.43 H new ATOM 0 HA SER A 70 -1.443 -1.113 12.501 1.00 71.20 H new ATOM 0 HB2 SER A 70 -3.881 -1.644 12.838 1.00 75.43 H new ATOM 0 HB3 SER A 70 -4.124 -1.628 11.102 1.00 75.43 H new ATOM 0 HG SER A 70 -3.830 -3.770 11.928 1.00 41.42 H new ATOM 1082 N PHE A 71 -2.099 -0.620 9.293 1.00 40.34 N ATOM 1083 CA PHE A 71 -1.631 -0.787 7.900 1.00 34.00 C ATOM 1084 C PHE A 71 -0.260 -0.114 7.689 1.00 35.51 C ATOM 1085 O PHE A 71 0.691 -0.746 7.209 1.00 53.32 O ATOM 1086 CB PHE A 71 -2.694 -0.188 6.938 1.00 62.22 C ATOM 1087 CG PHE A 71 -2.304 -0.133 5.456 1.00 24.13 C ATOM 1088 CD1 PHE A 71 -2.294 -1.280 4.667 1.00 10.04 C ATOM 1089 CD2 PHE A 71 -1.968 1.077 4.847 1.00 71.43 C ATOM 1090 CE1 PHE A 71 -1.960 -1.219 3.325 1.00 32.24 C ATOM 1091 CE2 PHE A 71 -1.632 1.138 3.507 1.00 14.41 C ATOM 1092 CZ PHE A 71 -1.630 -0.009 2.748 1.00 4.23 C ATOM 0 H PHE A 71 -2.943 -0.052 9.368 1.00 40.34 H new ATOM 0 HA PHE A 71 -1.505 -1.849 7.689 1.00 34.00 H new ATOM 0 HB2 PHE A 71 -3.610 -0.772 7.031 1.00 62.22 H new ATOM 0 HB3 PHE A 71 -2.926 0.824 7.270 1.00 62.22 H new ATOM 0 HD1 PHE A 71 -2.551 -2.232 5.109 1.00 10.04 H new ATOM 0 HD2 PHE A 71 -1.970 1.984 5.434 1.00 71.43 H new ATOM 0 HE1 PHE A 71 -1.958 -2.119 2.728 1.00 32.24 H new ATOM 0 HE2 PHE A 71 -1.372 2.085 3.057 1.00 14.41 H new ATOM 0 HZ PHE A 71 -1.370 0.037 1.701 1.00 4.23 H new ATOM 1102 N VAL A 72 -0.183 1.175 8.061 1.00 11.34 N ATOM 1103 CA VAL A 72 1.047 1.975 7.962 1.00 62.14 C ATOM 1104 C VAL A 72 2.157 1.397 8.876 1.00 73.54 C ATOM 1105 O VAL A 72 3.331 1.420 8.501 1.00 2.24 O ATOM 1106 CB VAL A 72 0.771 3.488 8.309 1.00 3.43 C ATOM 1107 CG1 VAL A 72 2.043 4.360 8.190 1.00 31.43 C ATOM 1108 CG2 VAL A 72 -0.360 4.068 7.427 1.00 74.11 C ATOM 0 H VAL A 72 -0.976 1.692 8.440 1.00 11.34 H new ATOM 0 HA VAL A 72 1.394 1.925 6.930 1.00 62.14 H new ATOM 0 HB VAL A 72 0.451 3.513 9.351 1.00 3.43 H new ATOM 0 HG11 VAL A 72 1.801 5.393 8.439 1.00 31.43 H new ATOM 0 HG12 VAL A 72 2.803 3.990 8.878 1.00 31.43 H new ATOM 0 HG13 VAL A 72 2.423 4.312 7.169 1.00 31.43 H new ATOM 0 HG21 VAL A 72 -0.527 5.113 7.690 1.00 74.11 H new ATOM 0 HG22 VAL A 72 -0.074 3.999 6.377 1.00 74.11 H new ATOM 0 HG23 VAL A 72 -1.277 3.501 7.592 1.00 74.11 H new ATOM 1118 N ARG A 73 1.763 0.838 10.053 1.00 35.31 N ATOM 1119 CA ARG A 73 2.707 0.201 11.010 1.00 14.44 C ATOM 1120 C ARG A 73 3.519 -0.906 10.330 1.00 43.22 C ATOM 1121 O ARG A 73 4.745 -0.991 10.514 1.00 71.05 O ATOM 1122 CB ARG A 73 1.948 -0.371 12.241 1.00 12.55 C ATOM 1123 CG ARG A 73 2.841 -1.080 13.284 1.00 45.43 C ATOM 1124 CD ARG A 73 2.088 -1.511 14.554 1.00 65.11 C ATOM 1125 NE ARG A 73 3.007 -2.154 15.514 1.00 12.33 N ATOM 1126 CZ ARG A 73 2.683 -2.606 16.737 1.00 22.14 C ATOM 1127 NH1 ARG A 73 1.440 -2.497 17.199 1.00 64.12 N ATOM 1128 NH2 ARG A 73 3.622 -3.176 17.489 1.00 61.23 N ATOM 0 H ARG A 73 0.791 0.817 10.362 1.00 35.31 H new ATOM 0 HA ARG A 73 3.397 0.972 11.354 1.00 14.44 H new ATOM 0 HB2 ARG A 73 1.417 0.444 12.733 1.00 12.55 H new ATOM 0 HB3 ARG A 73 1.195 -1.076 11.890 1.00 12.55 H new ATOM 0 HG2 ARG A 73 3.293 -1.959 12.824 1.00 45.43 H new ATOM 0 HG3 ARG A 73 3.656 -0.413 13.565 1.00 45.43 H new ATOM 0 HD2 ARG A 73 1.620 -0.643 15.017 1.00 65.11 H new ATOM 0 HD3 ARG A 73 1.287 -2.202 14.291 1.00 65.11 H new ATOM 0 HE ARG A 73 3.978 -2.265 15.222 1.00 12.33 H new ATOM 0 HH11 ARG A 73 0.718 -2.065 16.622 1.00 64.12 H new ATOM 0 HH12 ARG A 73 1.209 -2.845 18.130 1.00 64.12 H new ATOM 0 HH21 ARG A 73 4.574 -3.265 17.135 1.00 61.23 H new ATOM 0 HH22 ARG A 73 3.389 -3.523 18.419 1.00 61.23 H new ATOM 1142 N GLN A 74 2.824 -1.709 9.502 1.00 10.44 N ATOM 1143 CA GLN A 74 3.446 -2.801 8.747 1.00 34.51 C ATOM 1144 C GLN A 74 4.481 -2.240 7.765 1.00 62.14 C ATOM 1145 O GLN A 74 5.618 -2.708 7.728 1.00 31.24 O ATOM 1146 CB GLN A 74 2.391 -3.635 7.981 1.00 4.35 C ATOM 1147 CG GLN A 74 1.213 -4.152 8.826 1.00 22.24 C ATOM 1148 CD GLN A 74 1.637 -4.958 10.048 1.00 34.11 C ATOM 1149 OE1 GLN A 74 1.824 -4.407 11.134 1.00 61.44 O ATOM 1150 NE2 GLN A 74 1.794 -6.266 9.881 1.00 22.34 N ATOM 0 H GLN A 74 1.821 -1.616 9.342 1.00 10.44 H new ATOM 0 HA GLN A 74 3.942 -3.459 9.461 1.00 34.51 H new ATOM 0 HB2 GLN A 74 1.993 -3.027 7.168 1.00 4.35 H new ATOM 0 HB3 GLN A 74 2.891 -4.490 7.525 1.00 4.35 H new ATOM 0 HG2 GLN A 74 0.613 -3.303 9.153 1.00 22.24 H new ATOM 0 HG3 GLN A 74 0.573 -4.772 8.198 1.00 22.24 H new ATOM 0 HE21 GLN A 74 1.630 -6.687 8.966 1.00 22.34 H new ATOM 0 HE22 GLN A 74 2.079 -6.850 10.667 1.00 22.34 H new ATOM 1159 N LEU A 75 4.076 -1.192 7.024 1.00 13.02 N ATOM 1160 CA LEU A 75 4.893 -0.550 5.983 1.00 24.15 C ATOM 1161 C LEU A 75 6.204 0.030 6.554 1.00 54.43 C ATOM 1162 O LEU A 75 7.268 -0.173 5.967 1.00 24.42 O ATOM 1163 CB LEU A 75 4.046 0.554 5.297 1.00 11.03 C ATOM 1164 CG LEU A 75 2.800 0.043 4.503 1.00 34.13 C ATOM 1165 CD1 LEU A 75 1.863 1.200 4.123 1.00 52.33 C ATOM 1166 CD2 LEU A 75 3.232 -0.752 3.252 1.00 74.31 C ATOM 0 H LEU A 75 3.158 -0.763 7.135 1.00 13.02 H new ATOM 0 HA LEU A 75 5.184 -1.302 5.249 1.00 24.15 H new ATOM 0 HB2 LEU A 75 3.708 1.256 6.059 1.00 11.03 H new ATOM 0 HB3 LEU A 75 4.688 1.110 4.614 1.00 11.03 H new ATOM 0 HG LEU A 75 2.244 -0.629 5.157 1.00 34.13 H new ATOM 0 HD11 LEU A 75 1.007 0.809 3.572 1.00 52.33 H new ATOM 0 HD12 LEU A 75 1.515 1.699 5.028 1.00 52.33 H new ATOM 0 HD13 LEU A 75 2.401 1.914 3.499 1.00 52.33 H new ATOM 0 HD21 LEU A 75 2.347 -1.097 2.717 1.00 74.31 H new ATOM 0 HD22 LEU A 75 3.824 -0.110 2.599 1.00 74.31 H new ATOM 0 HD23 LEU A 75 3.830 -1.611 3.556 1.00 74.31 H new ATOM 1178 N ASN A 76 6.114 0.724 7.713 1.00 2.32 N ATOM 1179 CA ASN A 76 7.302 1.253 8.434 1.00 75.12 C ATOM 1180 C ASN A 76 8.314 0.136 8.746 1.00 54.10 C ATOM 1181 O ASN A 76 9.526 0.331 8.599 1.00 43.44 O ATOM 1182 CB ASN A 76 6.914 1.970 9.761 1.00 14.33 C ATOM 1183 CG ASN A 76 6.163 3.286 9.551 1.00 54.31 C ATOM 1184 OD1 ASN A 76 6.766 4.319 9.259 1.00 60.13 O ATOM 1185 ND2 ASN A 76 4.863 3.286 9.773 1.00 14.35 N ATOM 0 H ASN A 76 5.228 0.933 8.173 1.00 2.32 H new ATOM 0 HA ASN A 76 7.760 1.982 7.765 1.00 75.12 H new ATOM 0 HB2 ASN A 76 6.296 1.300 10.358 1.00 14.33 H new ATOM 0 HB3 ASN A 76 7.819 2.166 10.336 1.00 14.33 H new ATOM 0 HD21 ASN A 76 4.334 4.155 9.704 1.00 14.35 H new ATOM 0 HD22 ASN A 76 4.387 2.417 10.013 1.00 14.35 H new ATOM 1192 N MET A 77 7.798 -1.035 9.157 1.00 2.31 N ATOM 1193 CA MET A 77 8.631 -2.210 9.465 1.00 43.44 C ATOM 1194 C MET A 77 9.203 -2.828 8.171 1.00 5.11 C ATOM 1195 O MET A 77 10.362 -3.243 8.141 1.00 41.22 O ATOM 1196 CB MET A 77 7.819 -3.259 10.269 1.00 71.05 C ATOM 1197 CG MET A 77 7.304 -2.759 11.629 1.00 32.52 C ATOM 1198 SD MET A 77 6.482 -4.055 12.589 1.00 34.54 S ATOM 1199 CE MET A 77 5.142 -4.546 11.497 1.00 74.12 C ATOM 0 H MET A 77 6.798 -1.193 9.284 1.00 2.31 H new ATOM 0 HA MET A 77 9.469 -1.885 10.082 1.00 43.44 H new ATOM 0 HB2 MET A 77 6.968 -3.580 9.668 1.00 71.05 H new ATOM 0 HB3 MET A 77 8.444 -4.137 10.432 1.00 71.05 H new ATOM 0 HG2 MET A 77 8.140 -2.362 12.205 1.00 32.52 H new ATOM 0 HG3 MET A 77 6.608 -1.936 11.468 1.00 32.52 H new ATOM 0 HE1 MET A 77 4.636 -5.418 11.911 1.00 74.12 H new ATOM 0 HE2 MET A 77 4.431 -3.725 11.402 1.00 74.12 H new ATOM 0 HE3 MET A 77 5.545 -4.793 10.515 1.00 74.12 H new ATOM 1209 N TYR A 78 8.395 -2.821 7.085 1.00 11.14 N ATOM 1210 CA TYR A 78 8.785 -3.407 5.779 1.00 12.41 C ATOM 1211 C TYR A 78 9.758 -2.469 5.008 1.00 33.33 C ATOM 1212 O TYR A 78 10.303 -2.848 3.965 1.00 4.12 O ATOM 1213 CB TYR A 78 7.522 -3.733 4.913 1.00 41.15 C ATOM 1214 CG TYR A 78 6.793 -5.058 5.250 1.00 21.55 C ATOM 1215 CD1 TYR A 78 7.380 -6.297 4.963 1.00 24.22 C ATOM 1216 CD2 TYR A 78 5.514 -5.077 5.821 1.00 33.11 C ATOM 1217 CE1 TYR A 78 6.723 -7.488 5.236 1.00 61.04 C ATOM 1218 CE2 TYR A 78 4.860 -6.265 6.098 1.00 40.33 C ATOM 1219 CZ TYR A 78 5.466 -7.464 5.804 1.00 2.01 C ATOM 1220 OH TYR A 78 4.813 -8.646 6.088 1.00 4.44 O ATOM 0 H TYR A 78 7.461 -2.412 7.088 1.00 11.14 H new ATOM 0 HA TYR A 78 9.310 -4.341 5.978 1.00 12.41 H new ATOM 0 HB2 TYR A 78 6.812 -2.913 5.019 1.00 41.15 H new ATOM 0 HB3 TYR A 78 7.822 -3.762 3.865 1.00 41.15 H new ATOM 0 HD1 TYR A 78 8.365 -6.326 4.520 1.00 24.22 H new ATOM 0 HD2 TYR A 78 5.026 -4.141 6.051 1.00 33.11 H new ATOM 0 HE1 TYR A 78 7.194 -8.432 5.004 1.00 61.04 H new ATOM 0 HE2 TYR A 78 3.876 -6.250 6.544 1.00 40.33 H new ATOM 0 HH TYR A 78 3.939 -8.450 6.486 1.00 4.44 H new ATOM 1230 N GLY A 79 9.963 -1.247 5.536 1.00 74.01 N ATOM 1231 CA GLY A 79 10.941 -0.302 4.987 1.00 4.52 C ATOM 1232 C GLY A 79 10.375 0.658 3.950 1.00 34.13 C ATOM 1233 O GLY A 79 11.146 1.319 3.243 1.00 44.30 O ATOM 0 H GLY A 79 9.457 -0.894 6.348 1.00 74.01 H new ATOM 0 HA2 GLY A 79 11.367 0.277 5.806 1.00 4.52 H new ATOM 0 HA3 GLY A 79 11.758 -0.865 4.535 1.00 4.52 H new ATOM 1237 N PHE A 80 9.036 0.753 3.863 1.00 42.02 N ATOM 1238 CA PHE A 80 8.360 1.703 2.957 1.00 4.52 C ATOM 1239 C PHE A 80 8.436 3.110 3.558 1.00 22.50 C ATOM 1240 O PHE A 80 8.173 3.292 4.756 1.00 61.52 O ATOM 1241 CB PHE A 80 6.876 1.309 2.720 1.00 64.43 C ATOM 1242 CG PHE A 80 6.682 0.056 1.867 1.00 72.35 C ATOM 1243 CD1 PHE A 80 6.844 -1.218 2.411 1.00 40.20 C ATOM 1244 CD2 PHE A 80 6.332 0.154 0.518 1.00 31.12 C ATOM 1245 CE1 PHE A 80 6.665 -2.351 1.636 1.00 55.42 C ATOM 1246 CE2 PHE A 80 6.153 -0.983 -0.250 1.00 12.30 C ATOM 1247 CZ PHE A 80 6.320 -2.232 0.309 1.00 3.04 C ATOM 0 H PHE A 80 8.396 0.180 4.413 1.00 42.02 H new ATOM 0 HA PHE A 80 8.866 1.679 1.992 1.00 4.52 H new ATOM 0 HB2 PHE A 80 6.396 1.154 3.686 1.00 64.43 H new ATOM 0 HB3 PHE A 80 6.364 2.143 2.240 1.00 64.43 H new ATOM 0 HD1 PHE A 80 7.113 -1.322 3.452 1.00 40.20 H new ATOM 0 HD2 PHE A 80 6.200 1.128 0.070 1.00 31.12 H new ATOM 0 HE1 PHE A 80 6.796 -3.330 2.073 1.00 55.42 H new ATOM 0 HE2 PHE A 80 5.881 -0.892 -1.291 1.00 12.30 H new ATOM 0 HZ PHE A 80 6.180 -3.117 -0.294 1.00 3.04 H new ATOM 1257 N ARG A 81 8.774 4.106 2.726 1.00 41.44 N ATOM 1258 CA ARG A 81 8.969 5.485 3.190 1.00 32.21 C ATOM 1259 C ARG A 81 7.703 6.290 2.895 1.00 5.05 C ATOM 1260 O ARG A 81 7.260 6.346 1.748 1.00 52.10 O ATOM 1261 CB ARG A 81 10.181 6.153 2.487 1.00 13.42 C ATOM 1262 CG ARG A 81 10.572 7.529 3.084 1.00 31.23 C ATOM 1263 CD ARG A 81 11.586 8.308 2.227 1.00 4.53 C ATOM 1264 NE ARG A 81 12.790 7.519 1.893 1.00 12.14 N ATOM 1265 CZ ARG A 81 13.728 7.873 0.982 1.00 31.15 C ATOM 1266 NH1 ARG A 81 13.620 9.017 0.295 1.00 43.10 N ATOM 1267 NH2 ARG A 81 14.769 7.070 0.771 1.00 12.13 N ATOM 0 H ARG A 81 8.918 3.980 1.724 1.00 41.44 H new ATOM 0 HA ARG A 81 9.169 5.466 4.261 1.00 32.21 H new ATOM 0 HB2 ARG A 81 11.039 5.484 2.549 1.00 13.42 H new ATOM 0 HB3 ARG A 81 9.951 6.279 1.429 1.00 13.42 H new ATOM 0 HG2 ARG A 81 9.672 8.132 3.205 1.00 31.23 H new ATOM 0 HG3 ARG A 81 10.990 7.378 4.079 1.00 31.23 H new ATOM 0 HD2 ARG A 81 11.102 8.629 1.305 1.00 4.53 H new ATOM 0 HD3 ARG A 81 11.886 9.210 2.760 1.00 4.53 H new ATOM 0 HE ARG A 81 12.926 6.637 2.388 1.00 12.14 H new ATOM 0 HH11 ARG A 81 12.824 9.635 0.455 1.00 43.10 H new ATOM 0 HH12 ARG A 81 14.334 9.271 -0.388 1.00 43.10 H new ATOM 0 HH21 ARG A 81 14.854 6.198 1.293 1.00 12.13 H new ATOM 0 HH22 ARG A 81 15.481 7.327 0.087 1.00 12.13 H new ATOM 1281 N LYS A 82 7.130 6.882 3.947 1.00 43.52 N ATOM 1282 CA LYS A 82 5.991 7.794 3.853 1.00 32.25 C ATOM 1283 C LYS A 82 6.484 9.122 3.246 1.00 30.51 C ATOM 1284 O LYS A 82 7.340 9.798 3.833 1.00 43.14 O ATOM 1285 CB LYS A 82 5.407 7.984 5.292 1.00 25.34 C ATOM 1286 CG LYS A 82 4.042 8.707 5.412 1.00 22.22 C ATOM 1287 CD LYS A 82 4.105 10.242 5.223 1.00 24.42 C ATOM 1288 CE LYS A 82 2.732 10.910 5.379 1.00 52.54 C ATOM 1289 NZ LYS A 82 2.157 10.715 6.737 1.00 21.12 N ATOM 0 H LYS A 82 7.452 6.737 4.904 1.00 43.52 H new ATOM 0 HA LYS A 82 5.202 7.403 3.211 1.00 32.25 H new ATOM 0 HB2 LYS A 82 5.309 7.000 5.750 1.00 25.34 H new ATOM 0 HB3 LYS A 82 6.136 8.539 5.882 1.00 25.34 H new ATOM 0 HG2 LYS A 82 3.359 8.291 4.671 1.00 22.22 H new ATOM 0 HG3 LYS A 82 3.617 8.492 6.393 1.00 22.22 H new ATOM 0 HD2 LYS A 82 4.797 10.666 5.951 1.00 24.42 H new ATOM 0 HD3 LYS A 82 4.505 10.467 4.234 1.00 24.42 H new ATOM 0 HE2 LYS A 82 2.825 11.977 5.177 1.00 52.54 H new ATOM 0 HE3 LYS A 82 2.047 10.503 4.635 1.00 52.54 H new ATOM 0 HZ1 LYS A 82 1.308 11.307 6.843 1.00 21.12 H new ATOM 0 HZ2 LYS A 82 1.900 9.715 6.865 1.00 21.12 H new ATOM 0 HZ3 LYS A 82 2.860 10.986 7.454 1.00 21.12 H new ATOM 1303 N VAL A 83 5.963 9.472 2.066 1.00 4.25 N ATOM 1304 CA VAL A 83 6.286 10.728 1.378 1.00 12.54 C ATOM 1305 C VAL A 83 5.071 11.660 1.482 1.00 3.54 C ATOM 1306 O VAL A 83 3.955 11.284 1.074 1.00 5.45 O ATOM 1307 CB VAL A 83 6.677 10.489 -0.128 1.00 63.52 C ATOM 1308 CG1 VAL A 83 7.053 11.811 -0.837 1.00 14.34 C ATOM 1309 CG2 VAL A 83 7.817 9.450 -0.249 1.00 64.04 C ATOM 0 H VAL A 83 5.300 8.888 1.557 1.00 4.25 H new ATOM 0 HA VAL A 83 7.154 11.183 1.856 1.00 12.54 H new ATOM 0 HB VAL A 83 5.799 10.087 -0.632 1.00 63.52 H new ATOM 0 HG11 VAL A 83 7.317 11.605 -1.874 1.00 14.34 H new ATOM 0 HG12 VAL A 83 6.204 12.494 -0.807 1.00 14.34 H new ATOM 0 HG13 VAL A 83 7.903 12.267 -0.330 1.00 14.34 H new ATOM 0 HG21 VAL A 83 8.067 9.305 -1.300 1.00 64.04 H new ATOM 0 HG22 VAL A 83 8.696 9.810 0.286 1.00 64.04 H new ATOM 0 HG23 VAL A 83 7.493 8.502 0.181 1.00 64.04 H new ATOM 1319 N VAL A 84 5.304 12.846 2.066 1.00 4.32 N ATOM 1320 CA VAL A 84 4.285 13.883 2.270 1.00 54.13 C ATOM 1321 C VAL A 84 4.109 14.699 0.975 1.00 41.04 C ATOM 1322 O VAL A 84 5.074 15.298 0.475 1.00 25.10 O ATOM 1323 CB VAL A 84 4.690 14.842 3.459 1.00 14.33 C ATOM 1324 CG1 VAL A 84 3.631 15.946 3.714 1.00 11.24 C ATOM 1325 CG2 VAL A 84 4.977 14.036 4.750 1.00 62.43 C ATOM 0 H VAL A 84 6.224 13.114 2.416 1.00 4.32 H new ATOM 0 HA VAL A 84 3.343 13.398 2.526 1.00 54.13 H new ATOM 0 HB VAL A 84 5.608 15.348 3.160 1.00 14.33 H new ATOM 0 HG11 VAL A 84 3.956 16.578 4.540 1.00 11.24 H new ATOM 0 HG12 VAL A 84 3.515 16.553 2.816 1.00 11.24 H new ATOM 0 HG13 VAL A 84 2.676 15.483 3.965 1.00 11.24 H new ATOM 0 HG21 VAL A 84 5.253 14.720 5.552 1.00 62.43 H new ATOM 0 HG22 VAL A 84 4.084 13.481 5.038 1.00 62.43 H new ATOM 0 HG23 VAL A 84 5.795 13.339 4.569 1.00 62.43 H new ATOM 1335 N HIS A 85 2.884 14.683 0.426 1.00 74.04 N ATOM 1336 CA HIS A 85 2.508 15.493 -0.750 1.00 1.31 C ATOM 1337 C HIS A 85 1.489 16.556 -0.313 1.00 74.01 C ATOM 1338 O HIS A 85 1.663 17.742 -0.609 1.00 14.12 O ATOM 1339 CB HIS A 85 1.945 14.602 -1.882 1.00 54.34 C ATOM 1340 CG HIS A 85 2.949 13.635 -2.463 1.00 12.53 C ATOM 1341 ND1 HIS A 85 3.592 13.856 -3.661 1.00 33.42 N ATOM 1342 CD2 HIS A 85 3.415 12.440 -2.014 1.00 41.32 C ATOM 1343 CE1 HIS A 85 4.399 12.850 -3.921 1.00 11.13 C ATOM 1344 NE2 HIS A 85 4.318 11.978 -2.941 1.00 71.30 N ATOM 0 H HIS A 85 2.122 14.107 0.784 1.00 74.04 H new ATOM 0 HA HIS A 85 3.393 15.988 -1.150 1.00 1.31 H new ATOM 0 HB2 HIS A 85 1.095 14.039 -1.498 1.00 54.34 H new ATOM 0 HB3 HIS A 85 1.569 15.242 -2.680 1.00 54.34 H new ATOM 0 HD2 HIS A 85 3.129 11.945 -1.098 1.00 41.32 H new ATOM 0 HE1 HIS A 85 5.025 12.756 -4.796 1.00 11.13 H new ATOM 0 HE2 HIS A 85 4.839 11.103 -2.879 1.00 71.30 H new ATOM 1504 N ARG A 96 -7.834 16.070 0.930 1.00 12.34 N ATOM 1505 CA ARG A 96 -7.672 14.621 0.853 1.00 51.35 C ATOM 1506 C ARG A 96 -6.331 14.197 1.480 1.00 44.53 C ATOM 1507 O ARG A 96 -5.476 15.034 1.813 1.00 4.25 O ATOM 1508 CB ARG A 96 -7.727 14.145 -0.629 1.00 23.25 C ATOM 1509 CG ARG A 96 -6.449 14.441 -1.459 1.00 72.33 C ATOM 1510 CD ARG A 96 -6.494 13.852 -2.879 1.00 50.42 C ATOM 1511 NE ARG A 96 -5.145 13.763 -3.485 1.00 73.42 N ATOM 1512 CZ ARG A 96 -4.788 14.239 -4.690 1.00 71.12 C ATOM 1513 NH1 ARG A 96 -5.665 14.875 -5.466 1.00 23.01 N ATOM 1514 NH2 ARG A 96 -3.556 14.027 -5.129 1.00 43.25 N ATOM 0 HA ARG A 96 -8.488 14.157 1.407 1.00 51.35 H new ATOM 0 HB2 ARG A 96 -7.911 13.071 -0.644 1.00 23.25 H new ATOM 0 HB3 ARG A 96 -8.578 14.621 -1.117 1.00 23.25 H new ATOM 0 HG2 ARG A 96 -6.309 15.520 -1.525 1.00 72.33 H new ATOM 0 HG3 ARG A 96 -5.582 14.039 -0.934 1.00 72.33 H new ATOM 0 HD2 ARG A 96 -6.943 12.859 -2.846 1.00 50.42 H new ATOM 0 HD3 ARG A 96 -7.134 14.470 -3.508 1.00 50.42 H new ATOM 0 HE ARG A 96 -4.421 13.298 -2.938 1.00 73.42 H new ATOM 0 HH11 ARG A 96 -6.625 15.007 -5.148 1.00 23.01 H new ATOM 0 HH12 ARG A 96 -5.376 15.230 -6.378 1.00 23.01 H new ATOM 0 HH21 ARG A 96 -2.892 13.508 -4.554 1.00 43.25 H new ATOM 0 HH22 ARG A 96 -3.272 14.383 -6.042 1.00 43.25 H new ATOM 1528 N ASP A 97 -6.166 12.888 1.644 1.00 63.45 N ATOM 1529 CA ASP A 97 -4.856 12.293 1.914 1.00 4.33 C ATOM 1530 C ASP A 97 -4.189 11.930 0.572 1.00 30.32 C ATOM 1531 O ASP A 97 -4.843 11.404 -0.327 1.00 40.23 O ATOM 1532 CB ASP A 97 -4.971 11.039 2.819 1.00 54.33 C ATOM 1533 CG ASP A 97 -5.525 11.351 4.230 1.00 72.21 C ATOM 1534 OD1 ASP A 97 -4.758 11.837 5.094 1.00 52.45 O ATOM 1535 OD2 ASP A 97 -6.727 11.095 4.480 1.00 33.51 O ATOM 0 H ASP A 97 -6.928 12.212 1.595 1.00 63.45 H new ATOM 0 HA ASP A 97 -4.245 13.019 2.451 1.00 4.33 H new ATOM 0 HB2 ASP A 97 -5.619 10.308 2.335 1.00 54.33 H new ATOM 0 HB3 ASP A 97 -3.988 10.578 2.916 1.00 54.33 H new ATOM 1540 N ASP A 98 -2.912 12.295 0.427 1.00 34.34 N ATOM 1541 CA ASP A 98 -2.029 11.769 -0.627 1.00 21.42 C ATOM 1542 C ASP A 98 -0.737 11.347 0.075 1.00 40.11 C ATOM 1543 O ASP A 98 0.081 12.193 0.463 1.00 54.24 O ATOM 1544 CB ASP A 98 -1.752 12.833 -1.731 1.00 71.43 C ATOM 1545 CG ASP A 98 -0.938 12.289 -2.934 1.00 41.54 C ATOM 1546 OD1 ASP A 98 0.216 11.855 -2.752 1.00 4.51 O ATOM 1547 OD2 ASP A 98 -1.445 12.298 -4.074 1.00 32.34 O ATOM 0 H ASP A 98 -2.455 12.969 1.041 1.00 34.34 H new ATOM 0 HA ASP A 98 -2.494 10.928 -1.140 1.00 21.42 H new ATOM 0 HB2 ASP A 98 -2.703 13.222 -2.094 1.00 71.43 H new ATOM 0 HB3 ASP A 98 -1.213 13.671 -1.288 1.00 71.43 H new ATOM 1552 N THR A 99 -0.575 10.037 0.246 1.00 32.33 N ATOM 1553 CA THR A 99 0.524 9.456 1.010 1.00 13.01 C ATOM 1554 C THR A 99 1.242 8.411 0.149 1.00 14.31 C ATOM 1555 O THR A 99 0.675 7.355 -0.149 1.00 53.22 O ATOM 1556 CB THR A 99 -0.032 8.801 2.315 1.00 5.01 C ATOM 1557 OG1 THR A 99 -0.824 9.762 3.037 1.00 3.12 O ATOM 1558 CG2 THR A 99 1.092 8.294 3.224 1.00 22.11 C ATOM 0 H THR A 99 -1.210 9.342 -0.147 1.00 32.33 H new ATOM 0 HA THR A 99 1.234 10.235 1.287 1.00 13.01 H new ATOM 0 HB THR A 99 -0.642 7.947 2.021 1.00 5.01 H new ATOM 0 HG1 THR A 99 -0.775 9.571 3.997 1.00 3.12 H new ATOM 0 HG21 THR A 99 0.662 7.846 4.120 1.00 22.11 H new ATOM 0 HG22 THR A 99 1.681 7.547 2.692 1.00 22.11 H new ATOM 0 HG23 THR A 99 1.734 9.128 3.508 1.00 22.11 H new ATOM 1566 N GLU A 100 2.484 8.707 -0.248 1.00 3.23 N ATOM 1567 CA GLU A 100 3.232 7.854 -1.183 1.00 70.35 C ATOM 1568 C GLU A 100 4.230 6.977 -0.414 1.00 72.45 C ATOM 1569 O GLU A 100 5.176 7.487 0.179 1.00 4.04 O ATOM 1570 CB GLU A 100 3.945 8.728 -2.238 1.00 72.24 C ATOM 1571 CG GLU A 100 4.852 7.956 -3.226 1.00 31.20 C ATOM 1572 CD GLU A 100 5.541 8.872 -4.246 1.00 63.44 C ATOM 1573 OE1 GLU A 100 6.253 9.806 -3.822 1.00 1.54 O ATOM 1574 OE2 GLU A 100 5.351 8.689 -5.471 1.00 25.13 O ATOM 0 H GLU A 100 2.995 9.533 0.064 1.00 3.23 H new ATOM 0 HA GLU A 100 2.539 7.194 -1.704 1.00 70.35 H new ATOM 0 HB2 GLU A 100 3.190 9.269 -2.809 1.00 72.24 H new ATOM 0 HB3 GLU A 100 4.549 9.474 -1.721 1.00 72.24 H new ATOM 0 HG2 GLU A 100 5.611 7.411 -2.664 1.00 31.20 H new ATOM 0 HG3 GLU A 100 4.254 7.215 -3.757 1.00 31.20 H new ATOM 1581 N PHE A 101 3.983 5.662 -0.398 1.00 71.13 N ATOM 1582 CA PHE A 101 4.901 4.684 0.199 1.00 5.01 C ATOM 1583 C PHE A 101 5.768 4.070 -0.909 1.00 4.53 C ATOM 1584 O PHE A 101 5.245 3.519 -1.887 1.00 61.40 O ATOM 1585 CB PHE A 101 4.111 3.587 0.953 1.00 41.24 C ATOM 1586 CG PHE A 101 3.303 4.105 2.143 1.00 55.13 C ATOM 1587 CD1 PHE A 101 3.936 4.428 3.346 1.00 51.54 C ATOM 1588 CD2 PHE A 101 1.914 4.263 2.066 1.00 5.13 C ATOM 1589 CE1 PHE A 101 3.210 4.890 4.430 1.00 13.40 C ATOM 1590 CE2 PHE A 101 1.191 4.724 3.153 1.00 24.51 C ATOM 1591 CZ PHE A 101 1.839 5.037 4.331 1.00 24.03 C ATOM 0 H PHE A 101 3.142 5.246 -0.798 1.00 71.13 H new ATOM 0 HA PHE A 101 5.545 5.183 0.923 1.00 5.01 H new ATOM 0 HB2 PHE A 101 3.434 3.097 0.254 1.00 41.24 H new ATOM 0 HB3 PHE A 101 4.810 2.828 1.305 1.00 41.24 H new ATOM 0 HD1 PHE A 101 5.007 4.316 3.431 1.00 51.54 H new ATOM 0 HD2 PHE A 101 1.400 4.022 1.147 1.00 5.13 H new ATOM 0 HE1 PHE A 101 3.714 5.136 5.353 1.00 13.40 H new ATOM 0 HE2 PHE A 101 0.120 4.839 3.079 1.00 24.51 H new ATOM 0 HZ PHE A 101 1.273 5.398 5.177 1.00 24.03 H new ATOM 1601 N GLN A 102 7.093 4.201 -0.755 1.00 12.41 N ATOM 1602 CA GLN A 102 8.081 3.738 -1.752 1.00 63.42 C ATOM 1603 C GLN A 102 9.036 2.707 -1.122 1.00 12.21 C ATOM 1604 O GLN A 102 9.365 2.806 0.065 1.00 51.52 O ATOM 1605 CB GLN A 102 8.883 4.953 -2.313 1.00 22.42 C ATOM 1606 CG GLN A 102 9.654 5.768 -1.249 1.00 54.42 C ATOM 1607 CD GLN A 102 10.441 6.955 -1.811 1.00 42.01 C ATOM 1608 OE1 GLN A 102 10.890 6.951 -2.956 1.00 14.32 O ATOM 1609 NE2 GLN A 102 10.637 7.972 -0.992 1.00 14.14 N ATOM 0 H GLN A 102 7.516 4.632 0.067 1.00 12.41 H new ATOM 0 HA GLN A 102 7.552 3.258 -2.575 1.00 63.42 H new ATOM 0 HB2 GLN A 102 9.592 4.590 -3.057 1.00 22.42 H new ATOM 0 HB3 GLN A 102 8.192 5.619 -2.830 1.00 22.42 H new ATOM 0 HG2 GLN A 102 8.946 6.136 -0.507 1.00 54.42 H new ATOM 0 HG3 GLN A 102 10.344 5.103 -0.729 1.00 54.42 H new ATOM 0 HE21 GLN A 102 10.253 7.948 -0.048 1.00 14.14 H new ATOM 0 HE22 GLN A 102 11.173 8.782 -1.304 1.00 14.14 H new ATOM 1618 N HIS A 103 9.463 1.721 -1.929 1.00 31.22 N ATOM 1619 CA HIS A 103 10.468 0.720 -1.528 1.00 32.51 C ATOM 1620 C HIS A 103 11.127 0.152 -2.807 1.00 22.50 C ATOM 1621 O HIS A 103 10.409 -0.224 -3.737 1.00 33.32 O ATOM 1622 CB HIS A 103 9.824 -0.418 -0.673 1.00 73.25 C ATOM 1623 CG HIS A 103 10.831 -1.291 0.034 1.00 1.24 C ATOM 1624 ND1 HIS A 103 11.157 -2.571 -0.362 1.00 75.41 N ATOM 1625 CD2 HIS A 103 11.600 -1.039 1.117 1.00 12.42 C ATOM 1626 CE1 HIS A 103 12.095 -3.047 0.445 1.00 54.00 C ATOM 1627 NE2 HIS A 103 12.374 -2.139 1.347 1.00 53.43 N ATOM 0 H HIS A 103 9.120 1.595 -2.881 1.00 31.22 H new ATOM 0 HA HIS A 103 11.225 1.192 -0.902 1.00 32.51 H new ATOM 0 HB2 HIS A 103 9.160 0.028 0.067 1.00 73.25 H new ATOM 0 HB3 HIS A 103 9.207 -1.041 -1.320 1.00 73.25 H new ATOM 0 HD2 HIS A 103 11.601 -0.128 1.697 1.00 12.42 H new ATOM 0 HE1 HIS A 103 12.553 -4.022 0.371 1.00 54.00 H new ATOM 0 HE2 HIS A 103 13.057 -2.238 2.098 1.00 53.43 H new ATOM 1636 N PRO A 104 12.499 0.067 -2.877 1.00 10.34 N ATOM 1637 CA PRO A 104 13.227 -0.369 -4.111 1.00 22.25 C ATOM 1638 C PRO A 104 12.940 -1.836 -4.516 1.00 52.54 C ATOM 1639 O PRO A 104 13.145 -2.219 -5.677 1.00 20.11 O ATOM 1640 CB PRO A 104 14.721 -0.169 -3.730 1.00 62.14 C ATOM 1641 CG PRO A 104 14.744 -0.250 -2.234 1.00 4.52 C ATOM 1642 CD PRO A 104 13.459 0.403 -1.782 1.00 5.31 C ATOM 0 HA PRO A 104 12.914 0.202 -4.985 1.00 22.25 H new ATOM 0 HB2 PRO A 104 15.351 -0.938 -4.178 1.00 62.14 H new ATOM 0 HB3 PRO A 104 15.094 0.793 -4.081 1.00 62.14 H new ATOM 0 HG2 PRO A 104 14.800 -1.285 -1.897 1.00 4.52 H new ATOM 0 HG3 PRO A 104 15.613 0.266 -1.825 1.00 4.52 H new ATOM 0 HD2 PRO A 104 13.126 0.012 -0.821 1.00 5.31 H new ATOM 0 HD3 PRO A 104 13.575 1.481 -1.665 1.00 5.31 H new ATOM 1650 N CYS A 105 12.468 -2.645 -3.546 1.00 42.01 N ATOM 1651 CA CYS A 105 12.152 -4.076 -3.762 1.00 3.43 C ATOM 1652 C CYS A 105 10.636 -4.293 -4.002 1.00 34.12 C ATOM 1653 O CYS A 105 10.171 -5.433 -4.064 1.00 13.31 O ATOM 1654 CB CYS A 105 12.643 -4.897 -2.549 1.00 64.05 C ATOM 1655 SG CYS A 105 14.332 -4.504 -2.040 1.00 1.41 S ATOM 0 H CYS A 105 12.295 -2.328 -2.592 1.00 42.01 H new ATOM 0 HA CYS A 105 12.669 -4.417 -4.659 1.00 3.43 H new ATOM 0 HB2 CYS A 105 11.970 -4.724 -1.709 1.00 64.05 H new ATOM 0 HB3 CYS A 105 12.584 -5.958 -2.792 1.00 64.05 H new ATOM 0 HG CYS A 105 14.659 -5.237 -1.017 1.00 1.41 H new ATOM 1661 N PHE A 106 9.872 -3.192 -4.129 1.00 10.44 N ATOM 1662 CA PHE A 106 8.435 -3.239 -4.458 1.00 20.12 C ATOM 1663 C PHE A 106 8.270 -2.744 -5.898 1.00 22.04 C ATOM 1664 O PHE A 106 8.356 -1.545 -6.142 1.00 65.33 O ATOM 1665 CB PHE A 106 7.610 -2.350 -3.468 1.00 52.23 C ATOM 1666 CG PHE A 106 6.080 -2.409 -3.656 1.00 15.01 C ATOM 1667 CD1 PHE A 106 5.312 -3.364 -2.980 1.00 43.24 C ATOM 1668 CD2 PHE A 106 5.411 -1.517 -4.503 1.00 33.55 C ATOM 1669 CE1 PHE A 106 3.937 -3.427 -3.145 1.00 13.21 C ATOM 1670 CE2 PHE A 106 4.034 -1.583 -4.667 1.00 1.40 C ATOM 1671 CZ PHE A 106 3.299 -2.538 -3.989 1.00 70.23 C ATOM 0 H PHE A 106 10.233 -2.246 -4.007 1.00 10.44 H new ATOM 0 HA PHE A 106 8.060 -4.258 -4.364 1.00 20.12 H new ATOM 0 HB2 PHE A 106 7.847 -2.653 -2.448 1.00 52.23 H new ATOM 0 HB3 PHE A 106 7.934 -1.315 -3.577 1.00 52.23 H new ATOM 0 HD1 PHE A 106 5.799 -4.064 -2.318 1.00 43.24 H new ATOM 0 HD2 PHE A 106 5.975 -0.766 -5.037 1.00 33.55 H new ATOM 0 HE1 PHE A 106 3.364 -4.172 -2.613 1.00 13.21 H new ATOM 0 HE2 PHE A 106 3.536 -0.887 -5.326 1.00 1.40 H new ATOM 0 HZ PHE A 106 2.228 -2.589 -4.119 1.00 70.23 H new ATOM 1681 N LEU A 107 8.107 -3.674 -6.851 1.00 22.14 N ATOM 1682 CA LEU A 107 7.808 -3.349 -8.259 1.00 33.33 C ATOM 1683 C LEU A 107 6.536 -4.090 -8.692 1.00 55.33 C ATOM 1684 O LEU A 107 6.279 -5.217 -8.236 1.00 53.31 O ATOM 1685 CB LEU A 107 8.992 -3.748 -9.178 1.00 31.55 C ATOM 1686 CG LEU A 107 10.340 -2.992 -8.963 1.00 52.33 C ATOM 1687 CD1 LEU A 107 11.457 -3.591 -9.844 1.00 32.40 C ATOM 1688 CD2 LEU A 107 10.178 -1.483 -9.231 1.00 71.11 C ATOM 0 H LEU A 107 8.178 -4.675 -6.669 1.00 22.14 H new ATOM 0 HA LEU A 107 7.655 -2.274 -8.348 1.00 33.33 H new ATOM 0 HB2 LEU A 107 9.177 -4.814 -9.049 1.00 31.55 H new ATOM 0 HB3 LEU A 107 8.682 -3.601 -10.213 1.00 31.55 H new ATOM 0 HG LEU A 107 10.630 -3.118 -7.920 1.00 52.33 H new ATOM 0 HD11 LEU A 107 12.386 -3.046 -9.675 1.00 32.40 H new ATOM 0 HD12 LEU A 107 11.600 -4.640 -9.586 1.00 32.40 H new ATOM 0 HD13 LEU A 107 11.175 -3.510 -10.894 1.00 32.40 H new ATOM 0 HD21 LEU A 107 11.133 -0.981 -9.074 1.00 71.11 H new ATOM 0 HD22 LEU A 107 9.852 -1.329 -10.260 1.00 71.11 H new ATOM 0 HD23 LEU A 107 9.434 -1.070 -8.549 1.00 71.11 H new ATOM 1700 N ARG A 108 5.742 -3.458 -9.575 1.00 60.53 N ATOM 1701 CA ARG A 108 4.533 -4.082 -10.128 1.00 62.32 C ATOM 1702 C ARG A 108 4.921 -4.987 -11.316 1.00 23.31 C ATOM 1703 O ARG A 108 5.203 -4.499 -12.419 1.00 34.41 O ATOM 1704 CB ARG A 108 3.499 -3.012 -10.562 1.00 63.13 C ATOM 1705 CG ARG A 108 2.141 -3.618 -10.988 1.00 51.24 C ATOM 1706 CD ARG A 108 1.185 -2.611 -11.631 1.00 25.54 C ATOM 1707 NE ARG A 108 -0.087 -3.253 -12.010 1.00 0.43 N ATOM 1708 CZ ARG A 108 -0.652 -3.219 -13.232 1.00 53.31 C ATOM 1709 NH1 ARG A 108 -0.059 -2.582 -14.234 1.00 33.41 N ATOM 1710 NH2 ARG A 108 -1.823 -3.816 -13.426 1.00 3.22 N ATOM 0 H ARG A 108 5.919 -2.514 -9.919 1.00 60.53 H new ATOM 0 HA ARG A 108 4.064 -4.690 -9.354 1.00 62.32 H new ATOM 0 HB2 ARG A 108 3.337 -2.317 -9.738 1.00 63.13 H new ATOM 0 HB3 ARG A 108 3.909 -2.435 -11.391 1.00 63.13 H new ATOM 0 HG2 ARG A 108 2.322 -4.431 -11.691 1.00 51.24 H new ATOM 0 HG3 ARG A 108 1.659 -4.054 -10.113 1.00 51.24 H new ATOM 0 HD2 ARG A 108 0.991 -1.794 -10.936 1.00 25.54 H new ATOM 0 HD3 ARG A 108 1.652 -2.174 -12.513 1.00 25.54 H new ATOM 0 HE ARG A 108 -0.583 -3.768 -11.283 1.00 0.43 H new ATOM 0 HH11 ARG A 108 0.833 -2.112 -14.083 1.00 33.41 H new ATOM 0 HH12 ARG A 108 -0.496 -2.563 -15.156 1.00 33.41 H new ATOM 0 HH21 ARG A 108 -2.286 -4.294 -12.653 1.00 3.22 H new ATOM 0 HH22 ARG A 108 -2.259 -3.796 -14.348 1.00 3.22 H new ATOM 1724 N GLY A 109 4.957 -6.299 -11.060 1.00 42.22 N ATOM 1725 CA GLY A 109 5.367 -7.295 -12.053 1.00 71.42 C ATOM 1726 C GLY A 109 6.517 -8.134 -11.517 1.00 35.32 C ATOM 1727 O GLY A 109 6.569 -9.351 -11.728 1.00 72.45 O ATOM 0 H GLY A 109 4.702 -6.700 -10.157 1.00 42.22 H new ATOM 0 HA2 GLY A 109 4.523 -7.939 -12.302 1.00 71.42 H new ATOM 0 HA3 GLY A 109 5.670 -6.797 -12.974 1.00 71.42 H new ATOM 1731 N GLN A 110 7.444 -7.466 -10.793 1.00 63.42 N ATOM 1732 CA GLN A 110 8.594 -8.117 -10.131 1.00 34.35 C ATOM 1733 C GLN A 110 8.173 -8.558 -8.706 1.00 65.21 C ATOM 1734 O GLN A 110 8.793 -8.188 -7.698 1.00 53.10 O ATOM 1735 CB GLN A 110 9.810 -7.141 -10.101 1.00 70.23 C ATOM 1736 CG GLN A 110 11.199 -7.808 -9.987 1.00 63.15 C ATOM 1737 CD GLN A 110 11.650 -8.458 -11.299 1.00 53.44 C ATOM 1738 OE1 GLN A 110 11.414 -9.639 -11.551 1.00 54.31 O ATOM 1739 NE2 GLN A 110 12.293 -7.673 -12.148 1.00 50.40 N ATOM 0 H GLN A 110 7.414 -6.456 -10.652 1.00 63.42 H new ATOM 0 HA GLN A 110 8.900 -9.003 -10.687 1.00 34.35 H new ATOM 0 HB2 GLN A 110 9.790 -6.537 -11.008 1.00 70.23 H new ATOM 0 HB3 GLN A 110 9.684 -6.458 -9.260 1.00 70.23 H new ATOM 0 HG2 GLN A 110 11.933 -7.061 -9.685 1.00 63.15 H new ATOM 0 HG3 GLN A 110 11.172 -8.564 -9.202 1.00 63.15 H new ATOM 0 HE21 GLN A 110 12.472 -6.698 -11.906 1.00 50.40 H new ATOM 0 HE22 GLN A 110 12.610 -8.043 -13.044 1.00 50.40 H new ATOM 1748 N GLU A 111 7.101 -9.371 -8.656 1.00 45.15 N ATOM 1749 CA GLU A 111 6.505 -9.890 -7.406 1.00 72.41 C ATOM 1750 C GLU A 111 7.480 -10.790 -6.615 1.00 53.22 C ATOM 1751 O GLU A 111 7.278 -11.033 -5.420 1.00 73.33 O ATOM 1752 CB GLU A 111 5.196 -10.661 -7.722 1.00 70.31 C ATOM 1753 CG GLU A 111 5.368 -11.863 -8.675 1.00 51.24 C ATOM 1754 CD GLU A 111 4.039 -12.570 -8.965 1.00 3.24 C ATOM 1755 OE1 GLU A 111 3.667 -13.493 -8.211 1.00 33.13 O ATOM 1756 OE2 GLU A 111 3.358 -12.205 -9.948 1.00 61.33 O ATOM 0 H GLU A 111 6.616 -9.692 -9.494 1.00 45.15 H new ATOM 0 HA GLU A 111 6.280 -9.031 -6.773 1.00 72.41 H new ATOM 0 HB2 GLU A 111 4.765 -11.016 -6.786 1.00 70.31 H new ATOM 0 HB3 GLU A 111 4.479 -9.967 -8.160 1.00 70.31 H new ATOM 0 HG2 GLU A 111 5.807 -11.521 -9.612 1.00 51.24 H new ATOM 0 HG3 GLU A 111 6.067 -12.575 -8.236 1.00 51.24 H new ATOM 1763 N GLN A 112 8.526 -11.282 -7.298 1.00 4.05 N ATOM 1764 CA GLN A 112 9.579 -12.113 -6.688 1.00 54.03 C ATOM 1765 C GLN A 112 10.416 -11.349 -5.636 1.00 70.30 C ATOM 1766 O GLN A 112 11.057 -11.975 -4.795 1.00 25.35 O ATOM 1767 CB GLN A 112 10.504 -12.690 -7.792 1.00 50.21 C ATOM 1768 CG GLN A 112 11.299 -11.631 -8.588 1.00 2.42 C ATOM 1769 CD GLN A 112 12.111 -12.221 -9.743 1.00 12.51 C ATOM 1770 OE1 GLN A 112 11.715 -13.211 -10.362 1.00 75.44 O ATOM 1771 NE2 GLN A 112 13.251 -11.623 -10.045 1.00 62.15 N ATOM 0 H GLN A 112 8.667 -11.114 -8.294 1.00 4.05 H new ATOM 0 HA GLN A 112 9.078 -12.925 -6.161 1.00 54.03 H new ATOM 0 HB2 GLN A 112 11.208 -13.382 -7.331 1.00 50.21 H new ATOM 0 HB3 GLN A 112 9.898 -13.269 -8.489 1.00 50.21 H new ATOM 0 HG2 GLN A 112 10.606 -10.889 -8.983 1.00 2.42 H new ATOM 0 HG3 GLN A 112 11.973 -11.108 -7.910 1.00 2.42 H new ATOM 0 HE21 GLN A 112 13.554 -10.805 -9.516 1.00 62.15 H new ATOM 0 HE22 GLN A 112 13.827 -11.979 -10.807 1.00 62.15 H new ATOM 1780 N LEU A 113 10.417 -10.001 -5.695 1.00 0.54 N ATOM 1781 CA LEU A 113 11.186 -9.149 -4.757 1.00 63.45 C ATOM 1782 C LEU A 113 10.341 -8.743 -3.532 1.00 32.01 C ATOM 1783 O LEU A 113 10.892 -8.198 -2.568 1.00 43.24 O ATOM 1784 CB LEU A 113 11.736 -7.882 -5.477 1.00 20.23 C ATOM 1785 CG LEU A 113 12.822 -8.105 -6.579 1.00 45.04 C ATOM 1786 CD1 LEU A 113 13.326 -6.751 -7.147 1.00 40.31 C ATOM 1787 CD2 LEU A 113 13.990 -8.963 -6.042 1.00 71.43 C ATOM 0 H LEU A 113 9.889 -9.473 -6.389 1.00 0.54 H new ATOM 0 HA LEU A 113 12.029 -9.742 -4.402 1.00 63.45 H new ATOM 0 HB2 LEU A 113 10.895 -7.359 -5.932 1.00 20.23 H new ATOM 0 HB3 LEU A 113 12.153 -7.217 -4.721 1.00 20.23 H new ATOM 0 HG LEU A 113 12.361 -8.655 -7.400 1.00 45.04 H new ATOM 0 HD11 LEU A 113 14.081 -6.935 -7.912 1.00 40.31 H new ATOM 0 HD12 LEU A 113 12.490 -6.207 -7.586 1.00 40.31 H new ATOM 0 HD13 LEU A 113 13.762 -6.159 -6.343 1.00 40.31 H new ATOM 0 HD21 LEU A 113 14.731 -9.102 -6.829 1.00 71.43 H new ATOM 0 HD22 LEU A 113 14.452 -8.458 -5.194 1.00 71.43 H new ATOM 0 HD23 LEU A 113 13.612 -9.934 -5.724 1.00 71.43 H new ATOM 1799 N LEU A 114 9.016 -9.008 -3.568 1.00 43.14 N ATOM 1800 CA LEU A 114 8.101 -8.687 -2.441 1.00 63.41 C ATOM 1801 C LEU A 114 8.418 -9.560 -1.216 1.00 13.20 C ATOM 1802 O LEU A 114 8.316 -9.120 -0.072 1.00 22.44 O ATOM 1803 CB LEU A 114 6.626 -8.884 -2.854 1.00 62.04 C ATOM 1804 CG LEU A 114 6.137 -8.105 -4.108 1.00 31.04 C ATOM 1805 CD1 LEU A 114 4.665 -8.446 -4.411 1.00 45.31 C ATOM 1806 CD2 LEU A 114 6.360 -6.585 -3.955 1.00 62.13 C ATOM 0 H LEU A 114 8.552 -9.444 -4.365 1.00 43.14 H new ATOM 0 HA LEU A 114 8.254 -7.640 -2.178 1.00 63.41 H new ATOM 0 HB2 LEU A 114 6.462 -9.947 -3.030 1.00 62.04 H new ATOM 0 HB3 LEU A 114 5.997 -8.599 -2.011 1.00 62.04 H new ATOM 0 HG LEU A 114 6.735 -8.421 -4.962 1.00 31.04 H new ATOM 0 HD11 LEU A 114 4.337 -7.893 -5.291 1.00 45.31 H new ATOM 0 HD12 LEU A 114 4.570 -9.516 -4.598 1.00 45.31 H new ATOM 0 HD13 LEU A 114 4.045 -8.171 -3.558 1.00 45.31 H new ATOM 0 HD21 LEU A 114 6.006 -6.073 -4.850 1.00 62.13 H new ATOM 0 HD22 LEU A 114 5.808 -6.222 -3.088 1.00 62.13 H new ATOM 0 HD23 LEU A 114 7.423 -6.385 -3.819 1.00 62.13 H new ATOM 1818 N GLU A 115 8.811 -10.811 -1.486 1.00 12.20 N ATOM 1819 CA GLU A 115 9.233 -11.765 -0.445 1.00 64.45 C ATOM 1820 C GLU A 115 10.669 -11.489 0.043 1.00 4.52 C ATOM 1821 O GLU A 115 11.153 -12.139 0.975 1.00 12.45 O ATOM 1822 CB GLU A 115 9.094 -13.205 -0.969 1.00 11.21 C ATOM 1823 CG GLU A 115 9.890 -13.522 -2.243 1.00 22.20 C ATOM 1824 CD GLU A 115 9.620 -14.937 -2.759 1.00 34.44 C ATOM 1825 OE1 GLU A 115 8.544 -15.163 -3.339 1.00 23.55 O ATOM 1826 OE2 GLU A 115 10.468 -15.834 -2.573 1.00 60.21 O ATOM 0 H GLU A 115 8.846 -11.193 -2.431 1.00 12.20 H new ATOM 0 HA GLU A 115 8.578 -11.636 0.417 1.00 64.45 H new ATOM 0 HB2 GLU A 115 9.410 -13.891 -0.183 1.00 11.21 H new ATOM 0 HB3 GLU A 115 8.040 -13.404 -1.161 1.00 11.21 H new ATOM 0 HG2 GLU A 115 9.634 -12.800 -3.018 1.00 22.20 H new ATOM 0 HG3 GLU A 115 10.955 -13.408 -2.041 1.00 22.20 H new ATOM 1833 N ASN A 116 11.342 -10.527 -0.596 1.00 0.22 N ATOM 1834 CA ASN A 116 12.670 -10.047 -0.178 1.00 33.55 C ATOM 1835 C ASN A 116 12.538 -8.688 0.542 1.00 54.21 C ATOM 1836 O ASN A 116 13.536 -8.129 1.005 1.00 32.42 O ATOM 1837 CB ASN A 116 13.607 -9.944 -1.409 1.00 40.12 C ATOM 1838 CG ASN A 116 13.911 -11.306 -2.040 1.00 2.22 C ATOM 1839 OD1 ASN A 116 14.874 -11.980 -1.668 1.00 64.33 O ATOM 1840 ND2 ASN A 116 13.093 -11.726 -2.993 1.00 11.41 N ATOM 0 H ASN A 116 10.981 -10.054 -1.424 1.00 0.22 H new ATOM 0 HA ASN A 116 13.109 -10.758 0.522 1.00 33.55 H new ATOM 0 HB2 ASN A 116 13.148 -9.297 -2.156 1.00 40.12 H new ATOM 0 HB3 ASN A 116 14.542 -9.471 -1.109 1.00 40.12 H new ATOM 0 HD21 ASN A 116 13.252 -12.629 -3.440 1.00 11.41 H new ATOM 0 HD22 ASN A 116 12.304 -11.146 -3.280 1.00 11.41 H new ATOM 1847 N ILE A 117 11.287 -8.169 0.625 1.00 42.04 N ATOM 1848 CA ILE A 117 10.947 -7.013 1.473 1.00 32.02 C ATOM 1849 C ILE A 117 10.751 -7.544 2.901 1.00 3.34 C ATOM 1850 O ILE A 117 9.831 -8.344 3.146 1.00 44.43 O ATOM 1851 CB ILE A 117 9.632 -6.279 1.001 1.00 60.01 C ATOM 1852 CG1 ILE A 117 9.731 -5.814 -0.477 1.00 43.31 C ATOM 1853 CG2 ILE A 117 9.295 -5.084 1.925 1.00 33.41 C ATOM 1854 CD1 ILE A 117 8.485 -5.123 -1.014 1.00 72.51 C ATOM 0 H ILE A 117 10.493 -8.543 0.106 1.00 42.04 H new ATOM 0 HA ILE A 117 11.751 -6.280 1.412 1.00 32.02 H new ATOM 0 HB ILE A 117 8.820 -7.004 1.068 1.00 60.01 H new ATOM 0 HG12 ILE A 117 10.577 -5.133 -0.573 1.00 43.31 H new ATOM 0 HG13 ILE A 117 9.947 -6.681 -1.102 1.00 43.31 H new ATOM 0 HG21 ILE A 117 8.384 -4.598 1.574 1.00 33.41 H new ATOM 0 HG22 ILE A 117 9.146 -5.442 2.944 1.00 33.41 H new ATOM 0 HG23 ILE A 117 10.117 -4.368 1.909 1.00 33.41 H new ATOM 0 HD11 ILE A 117 8.648 -4.834 -2.052 1.00 72.51 H new ATOM 0 HD12 ILE A 117 7.637 -5.805 -0.956 1.00 72.51 H new ATOM 0 HD13 ILE A 117 8.277 -4.234 -0.419 1.00 72.51 H new ATOM 1866 N LYS A 118 11.613 -7.120 3.831 1.00 25.30 N ATOM 1867 CA LYS A 118 11.657 -7.678 5.193 1.00 62.12 C ATOM 1868 C LYS A 118 11.042 -6.678 6.184 1.00 5.11 C ATOM 1869 O LYS A 118 11.315 -5.477 6.094 1.00 22.12 O ATOM 1870 CB LYS A 118 13.126 -8.002 5.594 1.00 10.02 C ATOM 1871 CG LYS A 118 13.905 -8.984 4.670 1.00 1.25 C ATOM 1872 CD LYS A 118 13.440 -10.471 4.738 1.00 24.32 C ATOM 1873 CE LYS A 118 12.220 -10.808 3.862 1.00 42.23 C ATOM 1874 NZ LYS A 118 11.994 -12.276 3.755 1.00 74.04 N ATOM 0 H LYS A 118 12.299 -6.383 3.665 1.00 25.30 H new ATOM 0 HA LYS A 118 11.080 -8.602 5.218 1.00 62.12 H new ATOM 0 HB2 LYS A 118 13.681 -7.065 5.638 1.00 10.02 H new ATOM 0 HB3 LYS A 118 13.120 -8.417 6.602 1.00 10.02 H new ATOM 0 HG2 LYS A 118 13.814 -8.638 3.640 1.00 1.25 H new ATOM 0 HG3 LYS A 118 14.963 -8.939 4.929 1.00 1.25 H new ATOM 0 HD2 LYS A 118 14.271 -11.111 4.440 1.00 24.32 H new ATOM 0 HD3 LYS A 118 13.204 -10.716 5.774 1.00 24.32 H new ATOM 0 HE2 LYS A 118 11.332 -10.335 4.281 1.00 42.23 H new ATOM 0 HE3 LYS A 118 12.364 -10.390 2.865 1.00 42.23 H new ATOM 0 HZ1 LYS A 118 11.683 -12.510 2.790 1.00 74.04 H new ATOM 0 HZ2 LYS A 118 12.879 -12.780 3.966 1.00 74.04 H new ATOM 0 HZ3 LYS A 118 11.261 -12.565 4.434 1.00 74.04 H new ATOM 1888 N ARG A 119 10.209 -7.183 7.114 1.00 73.21 N ATOM 1889 CA ARG A 119 9.664 -6.382 8.230 1.00 13.21 C ATOM 1890 C ARG A 119 10.595 -6.460 9.450 1.00 3.04 C ATOM 1891 O ARG A 119 10.561 -5.584 10.319 1.00 53.03 O ATOM 1892 CB ARG A 119 8.216 -6.807 8.596 1.00 61.22 C ATOM 1893 CG ARG A 119 8.011 -8.315 8.818 1.00 74.43 C ATOM 1894 CD ARG A 119 6.558 -8.655 9.190 1.00 70.40 C ATOM 1895 NE ARG A 119 6.279 -10.098 9.123 1.00 73.31 N ATOM 1896 CZ ARG A 119 5.364 -10.753 9.857 1.00 62.21 C ATOM 1897 NH1 ARG A 119 4.610 -10.117 10.754 1.00 22.14 N ATOM 1898 NH2 ARG A 119 5.173 -12.045 9.645 1.00 32.34 N ATOM 0 H ARG A 119 9.895 -8.154 7.114 1.00 73.21 H new ATOM 0 HA ARG A 119 9.613 -5.344 7.901 1.00 13.21 H new ATOM 0 HB2 ARG A 119 7.918 -6.279 9.502 1.00 61.22 H new ATOM 0 HB3 ARG A 119 7.546 -6.479 7.801 1.00 61.22 H new ATOM 0 HG2 ARG A 119 8.288 -8.855 7.913 1.00 74.43 H new ATOM 0 HG3 ARG A 119 8.677 -8.658 9.610 1.00 74.43 H new ATOM 0 HD2 ARG A 119 6.351 -8.295 10.198 1.00 70.40 H new ATOM 0 HD3 ARG A 119 5.882 -8.126 8.518 1.00 70.40 H new ATOM 0 HE ARG A 119 6.828 -10.649 8.462 1.00 73.31 H new ATOM 0 HH11 ARG A 119 4.722 -9.113 10.894 1.00 22.14 H new ATOM 0 HH12 ARG A 119 3.921 -10.635 11.300 1.00 22.14 H new ATOM 0 HH21 ARG A 119 5.717 -12.531 8.932 1.00 32.34 H new ATOM 0 HH22 ARG A 119 4.482 -12.555 10.195 1.00 32.34 H new