USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 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: B 98 GLN : amide:sc= -0.338 K(o=0.87,f=0.31) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -160:sc= 1.2 (180deg=-0.125) USER MOD Set 2.1: B 53 GLN : amide:sc= -1.37 X(o=-2.5,f=-2.3) USER MOD Set 2.2: B 97 GLN : amide:sc= -1.1 K(o=-2.5,f=-6.7!) USER MOD Set 3.1: B 13 LYS NZ :NH3+ -158:sc= 0.298 (180deg=-2.11!) USER MOD Set 3.2: B 81 ASN : amide:sc= -0.409 K(o=2.3,f=-5.7!) USER MOD Set 3.3: B 83 SER OG : rot -56:sc= 1.21 USER MOD Set 3.4: B 84 THR OG1 : rot 38:sc= 1.17 USER MOD Set 4.1: B 56 SER OG : rot 120:sc= -0.475 USER MOD Set 4.2: B 64 GLN : amide:sc= -7.82! C(o=-8.3!,f=-15!) USER MOD Set 5.1: B 54 LYS NZ :NH3+ 152:sc= 0.6 (180deg=-0.294) USER MOD Set 5.2: B 66 GLN : amide:sc= -2.61! C(o=-6.3!,f=-12!) USER MOD Set 5.3: B 76 ASN : amide:sc= -4.27! C(o=-6.3!,f=-6.3!) USER MOD Set 6.1: B 51 LYS NZ :NH3+ -151:sc= 1.27 (180deg=-0.755) USER MOD Set 6.2: B 52 CYS SG : rot 90:sc= -1.32! USER MOD Set 7.1: B 20 GLN : amide:sc= 0.524 K(o=2.4,f=-5.9!) USER MOD Set 7.2: B 38 LYS NZ :NH3+ -155:sc= 1.92 (180deg=0.54) USER MOD Single : A 404 ASN : amide:sc= 0.0905 X(o=0.09,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 157:sc= 2.39 (180deg=0.699!) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.124 F(o=-0.68,f=-0.12) USER MOD Single : B 18 LYS NZ :NH3+ -126:sc= -0.986 (180deg=-1.67) USER MOD Single : B 19 LYS NZ :NH3+ 147:sc= -0.427 (180deg=-1.67!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -136:sc= -0.117 (180deg=-3.39!) USER MOD Single : B 42 THR OG1 : rot 90:sc= -0.392 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS :FLIP no HD1:sc= -0.0389 F(o=-0.68,f=-0.039) USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot -30:sc= 0.85 USER MOD Single : B 60 LYS NZ :NH3+ 151:sc= 2.98 (180deg=0.698!) USER MOD Single : B 62 LYS NZ :NH3+ 162:sc= 0.195 (180deg=-0.878!) USER MOD Single : B 70 HIS : no HE2:sc= -5.31! C(o=-5.3!,f=-9.9!) USER MOD Single : B 74 THR OG1 : rot 46:sc= 0.0254 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-6.5!) USER MOD Single : B 80 SER OG : rot 49:sc= 1.03 USER MOD Single : B 87 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.2) USER MOD Single : B 93 LYS NZ :NH3+ 177:sc= 2.35 (180deg=2.24) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.198 13.414 12.423 1.00 0.00 N ATOM 102 CA GLU A 399 0.045 12.949 13.190 1.00 0.00 C ATOM 103 C GLU A 399 -0.662 11.807 12.483 1.00 0.00 C ATOM 104 O GLU A 399 -1.185 11.987 11.391 1.00 0.00 O ATOM 105 CB GLU A 399 -0.929 14.100 13.384 1.00 0.00 C ATOM 106 CG GLU A 399 -1.854 13.912 14.566 1.00 0.00 C ATOM 107 CD GLU A 399 -2.678 15.151 14.849 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.920 15.068 14.757 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.082 16.205 15.141 1.00 0.00 O ATOM 0 HA GLU A 399 0.400 12.588 14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -0.366 15.024 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.526 14.217 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.520 13.071 14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.267 13.659 15.449 1.00 0.00 H new ATOM 116 N ASP A 400 -0.699 10.641 13.118 1.00 0.00 N ATOM 117 CA ASP A 400 -1.327 9.464 12.524 1.00 0.00 C ATOM 118 C ASP A 400 -1.889 8.542 13.607 1.00 0.00 C ATOM 119 O ASP A 400 -1.243 7.575 14.001 1.00 0.00 O ATOM 120 CB ASP A 400 -0.301 8.686 11.698 1.00 0.00 C ATOM 121 CG ASP A 400 0.261 9.460 10.516 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.160 10.303 10.720 1.00 0.00 O ATOM 123 OD2 ASP A 400 -0.187 9.217 9.376 1.00 0.00 O ATOM 0 H ASP A 400 -0.302 10.484 14.044 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.142 9.804 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.522 8.388 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.765 7.770 11.331 1.00 0.00 H new ATOM 128 N ASP A 401 -3.083 8.847 14.092 1.00 0.00 N ATOM 129 CA ASP A 401 -3.704 8.047 15.160 1.00 0.00 C ATOM 130 C ASP A 401 -5.198 7.819 14.948 1.00 0.00 C ATOM 131 O ASP A 401 -5.683 6.709 15.151 1.00 0.00 O ATOM 132 CB ASP A 401 -3.465 8.714 16.521 1.00 0.00 C ATOM 133 CG ASP A 401 -4.115 10.087 16.630 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.222 10.790 15.595 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.518 10.462 17.745 1.00 0.00 O ATOM 0 H ASP A 401 -3.646 9.635 13.772 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.229 7.066 15.133 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.854 8.070 17.309 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.392 8.811 16.689 1.00 0.00 H new ATOM 140 N ASP A 402 -5.925 8.855 14.526 1.00 0.00 N ATOM 141 CA ASP A 402 -7.374 8.747 14.293 1.00 0.00 C ATOM 142 C ASP A 402 -7.664 7.930 13.043 1.00 0.00 C ATOM 143 O ASP A 402 -8.770 7.946 12.501 1.00 0.00 O ATOM 144 CB ASP A 402 -8.025 10.129 14.177 1.00 0.00 C ATOM 145 CG ASP A 402 -7.375 11.018 13.133 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.735 10.494 12.192 1.00 0.00 O ATOM 147 OD2 ASP A 402 -7.480 12.252 13.267 1.00 0.00 O ATOM 0 H ASP A 402 -5.538 9.780 14.337 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.804 8.236 15.154 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.080 10.006 13.932 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.979 10.626 15.146 1.00 0.00 H new ATOM 152 N PHE A 403 -6.644 7.220 12.611 1.00 0.00 N ATOM 153 CA PHE A 403 -6.695 6.368 11.462 1.00 0.00 C ATOM 154 C PHE A 403 -7.817 5.348 11.598 1.00 0.00 C ATOM 155 O PHE A 403 -7.938 4.680 12.625 1.00 0.00 O ATOM 156 CB PHE A 403 -5.375 5.651 11.375 1.00 0.00 C ATOM 157 CG PHE A 403 -4.459 6.148 10.319 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.857 6.163 9.002 1.00 0.00 C ATOM 159 CD2 PHE A 403 -3.183 6.552 10.640 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.996 6.571 8.018 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.320 6.971 9.662 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.725 6.975 8.348 1.00 0.00 C ATOM 0 H PHE A 403 -5.733 7.226 13.070 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.884 6.960 10.566 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.871 5.731 12.338 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.565 4.592 11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.857 5.850 8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.860 6.539 11.670 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.315 6.575 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.324 7.297 9.922 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.043 7.296 7.574 1.00 0.00 H new ATOM 172 N ASN A 404 -8.608 5.206 10.557 1.00 0.00 N ATOM 173 CA ASN A 404 -9.726 4.281 10.581 1.00 0.00 C ATOM 174 C ASN A 404 -9.539 3.160 9.572 1.00 0.00 C ATOM 175 O ASN A 404 -9.261 3.410 8.399 1.00 0.00 O ATOM 176 CB ASN A 404 -11.031 5.026 10.283 1.00 0.00 C ATOM 177 CG ASN A 404 -11.711 5.545 11.534 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.581 4.886 12.101 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.320 6.730 11.977 1.00 0.00 N ATOM 0 H ASN A 404 -8.500 5.718 9.682 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.773 3.841 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.822 5.862 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.712 4.359 9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.744 7.126 12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.595 7.247 11.479 1.00 0.00 H new ATOM 361 N VAL B 8 -0.805 -0.038 -13.659 1.00 0.00 N ATOM 362 CA VAL B 8 -1.235 0.934 -12.666 1.00 0.00 C ATOM 363 C VAL B 8 -2.722 1.211 -12.815 1.00 0.00 C ATOM 364 O VAL B 8 -3.179 1.644 -13.871 1.00 0.00 O ATOM 365 CB VAL B 8 -0.462 2.260 -12.804 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.004 3.296 -11.834 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.026 2.042 -12.584 1.00 0.00 C ATOM 0 HA VAL B 8 -1.030 0.511 -11.683 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.602 2.634 -13.818 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.446 4.226 -11.946 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.058 3.477 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.898 2.929 -10.813 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.552 2.991 -12.686 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.191 1.642 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.404 1.337 -13.324 1.00 0.00 H new ATOM 377 N LEU B 9 -3.470 0.951 -11.758 1.00 0.00 N ATOM 378 CA LEU B 9 -4.902 1.178 -11.772 1.00 0.00 C ATOM 379 C LEU B 9 -5.233 2.546 -11.196 1.00 0.00 C ATOM 380 O LEU B 9 -6.220 3.171 -11.581 1.00 0.00 O ATOM 381 CB LEU B 9 -5.630 0.097 -10.968 1.00 0.00 C ATOM 382 CG LEU B 9 -5.286 -1.347 -11.338 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.964 -2.312 -10.380 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.695 -1.646 -12.771 1.00 0.00 C ATOM 0 H LEU B 9 -3.108 0.582 -10.879 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.236 1.136 -12.809 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.409 0.245 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.704 0.239 -11.092 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.207 -1.476 -11.257 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.711 -3.336 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.624 -2.115 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -7.045 -2.179 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.442 -2.678 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.770 -1.501 -12.880 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.167 -0.974 -13.448 1.00 0.00 H new ATOM 396 N LEU B 10 -4.407 3.010 -10.268 1.00 0.00 N ATOM 397 CA LEU B 10 -4.640 4.300 -9.639 1.00 0.00 C ATOM 398 C LEU B 10 -3.365 5.113 -9.506 1.00 0.00 C ATOM 399 O LEU B 10 -2.323 4.594 -9.102 1.00 0.00 O ATOM 400 CB LEU B 10 -5.245 4.095 -8.258 1.00 0.00 C ATOM 401 CG LEU B 10 -5.718 5.377 -7.561 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.163 5.687 -7.893 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.548 5.263 -6.063 1.00 0.00 C ATOM 0 H LEU B 10 -3.578 2.517 -9.937 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.326 4.854 -10.280 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.091 3.414 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.506 3.605 -7.623 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.100 6.196 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.465 6.601 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.268 5.820 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.796 4.862 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.889 6.182 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.136 4.423 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.496 5.101 -5.827 1.00 0.00 H new ATOM 415 N ILE B 11 -3.460 6.389 -9.847 1.00 0.00 N ATOM 416 CA ILE B 11 -2.339 7.305 -9.730 1.00 0.00 C ATOM 417 C ILE B 11 -2.703 8.413 -8.760 1.00 0.00 C ATOM 418 O ILE B 11 -3.663 9.153 -8.982 1.00 0.00 O ATOM 419 CB ILE B 11 -1.938 7.941 -11.075 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.581 6.863 -12.100 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.763 8.890 -10.862 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.379 7.400 -13.501 1.00 0.00 C ATOM 0 H ILE B 11 -4.312 6.816 -10.211 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.488 6.725 -9.374 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.785 8.505 -11.465 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.671 6.356 -11.780 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.373 6.114 -12.118 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.481 9.339 -11.814 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.051 9.674 -10.162 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.084 8.336 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.129 6.579 -14.173 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.296 7.881 -13.842 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.567 8.127 -13.498 1.00 0.00 H new ATOM 434 N VAL B 12 -1.943 8.519 -7.692 1.00 0.00 N ATOM 435 CA VAL B 12 -2.185 9.522 -6.679 1.00 0.00 C ATOM 436 C VAL B 12 -1.109 10.588 -6.744 1.00 0.00 C ATOM 437 O VAL B 12 0.036 10.305 -7.092 1.00 0.00 O ATOM 438 CB VAL B 12 -2.213 8.900 -5.277 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.902 9.819 -4.292 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.899 7.547 -5.311 1.00 0.00 C ATOM 0 H VAL B 12 -1.143 7.915 -7.502 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.159 9.971 -6.872 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.184 8.760 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.909 9.355 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.367 10.767 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.927 9.997 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.910 7.119 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.923 7.667 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.358 6.881 -5.983 1.00 0.00 H new ATOM 450 N LYS B 13 -1.474 11.806 -6.401 1.00 0.00 N ATOM 451 CA LYS B 13 -0.540 12.917 -6.451 1.00 0.00 C ATOM 452 C LYS B 13 -0.159 13.373 -5.057 1.00 0.00 C ATOM 453 O LYS B 13 -0.755 12.935 -4.079 1.00 0.00 O ATOM 454 CB LYS B 13 -1.130 14.093 -7.233 1.00 0.00 C ATOM 455 CG LYS B 13 -1.117 13.905 -8.743 1.00 0.00 C ATOM 456 CD LYS B 13 -2.089 12.824 -9.192 1.00 0.00 C ATOM 457 CE LYS B 13 -3.510 13.352 -9.321 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.127 13.692 -8.004 1.00 0.00 N ATOM 0 H LYS B 13 -2.411 12.054 -6.084 1.00 0.00 H new ATOM 0 HA LYS B 13 0.356 12.566 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.158 14.253 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.572 14.996 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.374 14.847 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.110 13.644 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.764 12.420 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.072 12.001 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.506 14.239 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.125 12.605 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.163 13.683 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.835 12.992 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.813 14.638 -7.707 1.00 0.00 H new ATOM 472 N LYS B 14 0.800 14.303 -5.021 1.00 0.00 N ATOM 473 CA LYS B 14 1.356 14.894 -3.794 1.00 0.00 C ATOM 474 C LYS B 14 1.077 14.087 -2.528 1.00 0.00 C ATOM 475 O LYS B 14 0.320 14.504 -1.652 1.00 0.00 O ATOM 476 CB LYS B 14 0.841 16.323 -3.622 1.00 0.00 C ATOM 477 CG LYS B 14 1.676 17.353 -4.359 1.00 0.00 C ATOM 478 CD LYS B 14 2.227 18.402 -3.409 1.00 0.00 C ATOM 479 CE LYS B 14 3.565 18.941 -3.889 1.00 0.00 C ATOM 480 NZ LYS B 14 4.665 17.966 -3.671 1.00 0.00 N ATOM 0 H LYS B 14 1.225 14.678 -5.869 1.00 0.00 H new ATOM 0 HA LYS B 14 2.438 14.888 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.188 16.377 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.824 16.571 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.499 16.856 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.068 17.836 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.515 19.222 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.343 17.969 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.499 19.183 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.792 19.869 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.446 18.171 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.007 18.042 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.313 17.002 -3.842 1.00 0.00 H new ATOM 494 N VAL B 15 1.696 12.924 -2.457 1.00 0.00 N ATOM 495 CA VAL B 15 1.585 12.047 -1.309 1.00 0.00 C ATOM 496 C VAL B 15 2.964 11.908 -0.698 1.00 0.00 C ATOM 497 O VAL B 15 3.921 11.594 -1.400 1.00 0.00 O ATOM 498 CB VAL B 15 1.037 10.649 -1.688 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.299 9.638 -0.581 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.450 10.722 -1.983 1.00 0.00 C ATOM 0 H VAL B 15 2.293 12.560 -3.199 1.00 0.00 H new ATOM 0 HA VAL B 15 0.878 12.481 -0.602 1.00 0.00 H new ATOM 0 HB VAL B 15 1.560 10.318 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.903 8.666 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.372 9.556 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.809 9.967 0.336 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.818 9.731 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.979 11.082 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.623 11.406 -2.813 1.00 0.00 H new ATOM 510 N ARG B 16 3.079 12.167 0.584 1.00 0.00 N ATOM 511 CA ARG B 16 4.363 12.080 1.242 1.00 0.00 C ATOM 512 C ARG B 16 4.524 10.766 1.984 1.00 0.00 C ATOM 513 O ARG B 16 3.621 10.309 2.675 1.00 0.00 O ATOM 514 CB ARG B 16 4.568 13.248 2.210 1.00 0.00 C ATOM 515 CG ARG B 16 4.138 14.588 1.647 1.00 0.00 C ATOM 516 CD ARG B 16 4.299 15.697 2.670 1.00 0.00 C ATOM 517 NE ARG B 16 4.516 16.985 2.028 1.00 0.00 N ATOM 518 CZ ARG B 16 3.733 18.045 2.180 1.00 0.00 C ATOM 519 NH1 ARG B 16 2.677 17.994 2.989 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.005 19.156 1.510 1.00 0.00 N ATOM 0 H ARG B 16 2.304 12.438 1.190 1.00 0.00 H new ATOM 0 HA ARG B 16 5.122 12.130 0.462 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.009 13.052 3.125 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.622 13.300 2.485 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.730 14.819 0.762 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.097 14.533 1.329 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.409 15.747 3.298 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.139 15.470 3.326 1.00 0.00 H new ATOM 0 HE ARG B 16 5.328 17.079 1.418 1.00 0.00 H new ATOM 0 HH11 ARG B 16 2.465 17.136 3.497 1.00 0.00 H new ATOM 0 HH12 ARG B 16 2.080 18.813 3.100 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.810 19.190 0.885 1.00 0.00 H new ATOM 0 HH22 ARG B 16 3.409 19.977 1.620 1.00 0.00 H new ATOM 534 N GLN B 17 5.670 10.149 1.797 1.00 0.00 N ATOM 535 CA GLN B 17 5.992 8.915 2.478 1.00 0.00 C ATOM 536 C GLN B 17 7.099 9.214 3.465 1.00 0.00 C ATOM 537 O GLN B 17 8.233 9.483 3.063 1.00 0.00 O ATOM 538 CB GLN B 17 6.424 7.825 1.488 1.00 0.00 C ATOM 539 CG GLN B 17 7.158 6.653 2.130 1.00 0.00 C ATOM 540 CD GLN B 17 6.326 5.941 3.178 1.00 0.00 C ATOM 541 OE1 GLN B 17 5.031 5.844 2.936 1.00 0.00 O flip ATOM 542 NE2 GLN B 17 6.845 5.470 4.186 1.00 0.00 N flip ATOM 0 H GLN B 17 6.402 10.487 1.172 1.00 0.00 H new ATOM 0 HA GLN B 17 5.111 8.535 2.995 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.541 7.448 0.972 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.068 8.272 0.731 1.00 0.00 H new ATOM 0 HG2 GLN B 17 7.444 5.942 1.355 1.00 0.00 H new ATOM 0 HG3 GLN B 17 8.079 7.014 2.588 1.00 0.00 H new ATOM 0 HE21 GLN B 17 7.849 5.567 4.335 1.00 0.00 H new ATOM 0 HE22 GLN B 17 6.272 4.982 4.874 1.00 0.00 H new ATOM 551 N LYS B 18 6.746 9.223 4.744 1.00 0.00 N ATOM 552 CA LYS B 18 7.697 9.513 5.802 1.00 0.00 C ATOM 553 C LYS B 18 8.150 10.969 5.688 1.00 0.00 C ATOM 554 O LYS B 18 9.339 11.282 5.731 1.00 0.00 O ATOM 555 CB LYS B 18 8.885 8.542 5.746 1.00 0.00 C ATOM 556 CG LYS B 18 9.460 8.191 7.108 1.00 0.00 C ATOM 557 CD LYS B 18 8.965 6.834 7.594 1.00 0.00 C ATOM 558 CE LYS B 18 7.476 6.849 7.905 1.00 0.00 C ATOM 559 NZ LYS B 18 7.124 7.918 8.870 1.00 0.00 N ATOM 0 H LYS B 18 5.800 9.031 5.072 1.00 0.00 H new ATOM 0 HA LYS B 18 7.218 9.374 6.771 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.569 7.625 5.249 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.672 8.981 5.133 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.549 8.183 7.053 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.183 8.960 7.829 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.169 6.080 6.834 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.519 6.544 8.487 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.914 6.993 6.982 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.180 5.882 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.609 7.505 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.993 8.375 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.523 8.625 8.401 1.00 0.00 H new ATOM 573 N LYS B 19 7.156 11.842 5.507 1.00 0.00 N ATOM 574 CA LYS B 19 7.354 13.287 5.387 1.00 0.00 C ATOM 575 C LYS B 19 8.099 13.684 4.102 1.00 0.00 C ATOM 576 O LYS B 19 8.700 14.755 4.038 1.00 0.00 O ATOM 577 CB LYS B 19 8.073 13.839 6.626 1.00 0.00 C ATOM 578 CG LYS B 19 7.240 14.844 7.412 1.00 0.00 C ATOM 579 CD LYS B 19 6.894 14.337 8.809 1.00 0.00 C ATOM 580 CE LYS B 19 7.652 15.088 9.890 1.00 0.00 C ATOM 581 NZ LYS B 19 7.635 16.557 9.675 1.00 0.00 N ATOM 0 H LYS B 19 6.178 11.560 5.439 1.00 0.00 H new ATOM 0 HA LYS B 19 6.363 13.735 5.322 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.341 13.010 7.281 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.004 14.314 6.315 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.788 15.783 7.493 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.321 15.057 6.867 1.00 0.00 H new ATOM 0 HD2 LYS B 19 5.822 14.442 8.978 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.125 13.274 8.876 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.214 14.860 10.862 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.684 14.739 9.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.631 17.042 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.480 16.839 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.782 16.820 9.141 1.00 0.00 H new ATOM 595 N GLN B 20 8.043 12.835 3.077 1.00 0.00 N ATOM 596 CA GLN B 20 8.699 13.134 1.801 1.00 0.00 C ATOM 597 C GLN B 20 7.687 13.122 0.655 1.00 0.00 C ATOM 598 O GLN B 20 7.069 12.097 0.382 1.00 0.00 O ATOM 599 CB GLN B 20 9.822 12.133 1.517 1.00 0.00 C ATOM 600 CG GLN B 20 10.340 12.208 0.089 1.00 0.00 C ATOM 601 CD GLN B 20 11.612 11.414 -0.131 1.00 0.00 C ATOM 602 OE1 GLN B 20 12.430 11.760 -0.988 1.00 0.00 O ATOM 603 NE2 GLN B 20 11.787 10.347 0.633 1.00 0.00 N ATOM 0 H GLN B 20 7.554 11.940 3.102 1.00 0.00 H new ATOM 0 HA GLN B 20 9.132 14.131 1.875 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.646 12.315 2.206 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.460 11.124 1.713 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.569 11.841 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.522 13.251 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.085 10.098 1.329 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.624 9.774 0.525 1.00 0.00 H new ATOM 612 N ASP B 21 7.546 14.264 -0.015 1.00 0.00 N ATOM 613 CA ASP B 21 6.604 14.429 -1.133 1.00 0.00 C ATOM 614 C ASP B 21 6.869 13.453 -2.283 1.00 0.00 C ATOM 615 O ASP B 21 8.019 13.093 -2.563 1.00 0.00 O ATOM 616 CB ASP B 21 6.671 15.863 -1.674 1.00 0.00 C ATOM 617 CG ASP B 21 6.079 16.892 -0.729 1.00 0.00 C ATOM 618 OD1 ASP B 21 6.575 17.018 0.408 1.00 0.00 O ATOM 619 OD2 ASP B 21 5.117 17.588 -1.122 1.00 0.00 O ATOM 0 H ASP B 21 8.081 15.106 0.198 1.00 0.00 H new ATOM 0 HA ASP B 21 5.612 14.215 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.711 16.120 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.143 15.909 -2.626 1.00 0.00 H new ATOM 624 N GLY B 22 5.793 13.037 -2.949 1.00 0.00 N ATOM 625 CA GLY B 22 5.895 12.127 -4.077 1.00 0.00 C ATOM 626 C GLY B 22 4.532 11.773 -4.651 1.00 0.00 C ATOM 627 O GLY B 22 3.528 12.386 -4.294 1.00 0.00 O ATOM 0 H GLY B 22 4.840 13.320 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.509 12.582 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.403 11.216 -3.762 1.00 0.00 H new ATOM 631 N ALA B 23 4.493 10.788 -5.537 1.00 0.00 N ATOM 632 CA ALA B 23 3.241 10.347 -6.144 1.00 0.00 C ATOM 633 C ALA B 23 3.075 8.844 -5.952 1.00 0.00 C ATOM 634 O ALA B 23 4.024 8.075 -6.115 1.00 0.00 O ATOM 635 CB ALA B 23 3.172 10.724 -7.621 1.00 0.00 C ATOM 0 H ALA B 23 5.316 10.276 -5.854 1.00 0.00 H new ATOM 0 HA ALA B 23 2.418 10.858 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.227 10.380 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.242 11.807 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA B 23 3.998 10.255 -8.155 1.00 0.00 H new ATOM 641 N LEU B 24 1.867 8.440 -5.607 1.00 0.00 N ATOM 642 CA LEU B 24 1.557 7.042 -5.345 1.00 0.00 C ATOM 643 C LEU B 24 0.935 6.380 -6.577 1.00 0.00 C ATOM 644 O LEU B 24 0.105 6.974 -7.254 1.00 0.00 O ATOM 645 CB LEU B 24 0.605 6.975 -4.147 1.00 0.00 C ATOM 646 CG LEU B 24 0.205 5.574 -3.693 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.149 5.034 -2.648 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.215 5.588 -3.157 1.00 0.00 C ATOM 0 H LEU B 24 1.071 9.069 -5.500 1.00 0.00 H new ATOM 0 HA LEU B 24 2.473 6.498 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.072 7.489 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.301 7.528 -4.396 1.00 0.00 H new ATOM 0 HG LEU B 24 0.260 4.915 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.830 4.035 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.157 4.986 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.143 5.691 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.492 4.584 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.277 6.271 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.896 5.919 -3.941 1.00 0.00 H new ATOM 660 N TYR B 25 1.353 5.157 -6.873 1.00 0.00 N ATOM 661 CA TYR B 25 0.839 4.417 -8.023 1.00 0.00 C ATOM 662 C TYR B 25 0.455 3.006 -7.597 1.00 0.00 C ATOM 663 O TYR B 25 1.303 2.227 -7.172 1.00 0.00 O ATOM 664 CB TYR B 25 1.889 4.338 -9.141 1.00 0.00 C ATOM 665 CG TYR B 25 2.393 5.676 -9.639 1.00 0.00 C ATOM 666 CD1 TYR B 25 3.400 6.356 -8.965 1.00 0.00 C ATOM 667 CD2 TYR B 25 1.876 6.249 -10.793 1.00 0.00 C ATOM 668 CE1 TYR B 25 3.874 7.569 -9.423 1.00 0.00 C ATOM 669 CE2 TYR B 25 2.345 7.464 -11.257 1.00 0.00 C ATOM 670 CZ TYR B 25 3.343 8.118 -10.569 1.00 0.00 C ATOM 671 OH TYR B 25 3.814 9.327 -11.031 1.00 0.00 O ATOM 0 H TYR B 25 2.052 4.651 -6.329 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.037 4.944 -8.402 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.738 3.757 -8.781 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.462 3.791 -9.982 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.819 5.928 -8.067 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.095 5.738 -11.337 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.657 8.084 -8.886 1.00 0.00 H new ATOM 0 HE2 TYR B 25 1.931 7.898 -12.155 1.00 0.00 H new ATOM 0 HH TYR B 25 3.335 9.573 -11.850 1.00 0.00 H new ATOM 681 N LEU B 26 -0.816 2.670 -7.717 1.00 0.00 N ATOM 682 CA LEU B 26 -1.276 1.349 -7.310 1.00 0.00 C ATOM 683 C LEU B 26 -1.442 0.425 -8.504 1.00 0.00 C ATOM 684 O LEU B 26 -2.230 0.705 -9.409 1.00 0.00 O ATOM 685 CB LEU B 26 -2.601 1.446 -6.555 1.00 0.00 C ATOM 686 CG LEU B 26 -2.695 2.601 -5.563 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.014 2.575 -4.828 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.572 2.553 -4.565 1.00 0.00 C ATOM 0 H LEU B 26 -1.543 3.282 -8.088 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.514 0.932 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.409 1.543 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.765 0.512 -6.018 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.621 3.525 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.056 3.408 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.831 2.661 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.108 1.636 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.666 3.389 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.617 1.615 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.618 2.621 -5.087 1.00 0.00 H new ATOM 700 N MET B 27 -0.692 -0.667 -8.507 1.00 0.00 N ATOM 701 CA MET B 27 -0.778 -1.654 -9.570 1.00 0.00 C ATOM 702 C MET B 27 -1.722 -2.756 -9.137 1.00 0.00 C ATOM 703 O MET B 27 -1.964 -2.930 -7.948 1.00 0.00 O ATOM 704 CB MET B 27 0.585 -2.262 -9.903 1.00 0.00 C ATOM 705 CG MET B 27 1.601 -1.264 -10.427 1.00 0.00 C ATOM 706 SD MET B 27 2.436 -0.363 -9.111 1.00 0.00 S ATOM 707 CE MET B 27 3.386 0.805 -10.075 1.00 0.00 C ATOM 0 H MET B 27 -0.013 -0.892 -7.780 1.00 0.00 H new ATOM 0 HA MET B 27 -1.145 -1.154 -10.466 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.987 -2.736 -9.008 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.448 -3.048 -10.646 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.343 -1.789 -11.029 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.100 -0.555 -11.086 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.399 0.867 -9.676 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.424 0.474 -11.113 1.00 0.00 H new ATOM 0 HE3 MET B 27 2.915 1.787 -10.024 1.00 0.00 H new ATOM 717 N ALA B 28 -2.201 -3.525 -10.094 1.00 0.00 N ATOM 718 CA ALA B 28 -3.146 -4.605 -9.822 1.00 0.00 C ATOM 719 C ALA B 28 -2.562 -5.672 -8.897 1.00 0.00 C ATOM 720 O ALA B 28 -3.303 -6.426 -8.272 1.00 0.00 O ATOM 721 CB ALA B 28 -3.595 -5.240 -11.129 1.00 0.00 C ATOM 0 H ALA B 28 -1.952 -3.425 -11.078 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.002 -4.166 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.300 -6.045 -10.919 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.078 -4.487 -11.752 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.729 -5.644 -11.654 1.00 0.00 H new ATOM 727 N GLU B 29 -1.244 -5.733 -8.806 1.00 0.00 N ATOM 728 CA GLU B 29 -0.598 -6.739 -7.973 1.00 0.00 C ATOM 729 C GLU B 29 0.090 -6.126 -6.757 1.00 0.00 C ATOM 730 O GLU B 29 0.287 -6.801 -5.738 1.00 0.00 O ATOM 731 CB GLU B 29 0.463 -7.487 -8.788 1.00 0.00 C ATOM 732 CG GLU B 29 0.173 -7.555 -10.278 1.00 0.00 C ATOM 733 CD GLU B 29 0.767 -6.371 -11.021 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.024 -5.418 -11.331 1.00 0.00 O ATOM 735 OE2 GLU B 29 1.990 -6.379 -11.273 1.00 0.00 O ATOM 0 H GLU B 29 -0.604 -5.105 -9.293 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.381 -7.415 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.428 -7.002 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.553 -8.502 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.579 -8.481 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.905 -7.581 -10.438 1.00 0.00 H new ATOM 742 N ARG B 30 0.419 -4.842 -6.824 1.00 0.00 N ATOM 743 CA ARG B 30 1.155 -4.229 -5.731 1.00 0.00 C ATOM 744 C ARG B 30 0.941 -2.732 -5.653 1.00 0.00 C ATOM 745 O ARG B 30 0.533 -2.094 -6.616 1.00 0.00 O ATOM 746 CB ARG B 30 2.652 -4.515 -5.896 1.00 0.00 C ATOM 747 CG ARG B 30 3.354 -3.575 -6.866 1.00 0.00 C ATOM 748 CD ARG B 30 4.534 -4.247 -7.545 1.00 0.00 C ATOM 749 NE ARG B 30 4.148 -4.897 -8.796 1.00 0.00 N ATOM 750 CZ ARG B 30 4.780 -4.712 -9.956 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.824 -3.895 -10.026 1.00 0.00 N ATOM 752 NH2 ARG B 30 4.361 -5.329 -11.048 1.00 0.00 N ATOM 0 H ARG B 30 0.195 -4.221 -7.602 1.00 0.00 H new ATOM 0 HA ARG B 30 0.778 -4.664 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.135 -4.444 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.780 -5.541 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.645 -3.235 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.698 -2.690 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.308 -3.506 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.968 -4.986 -6.871 1.00 0.00 H new ATOM 0 HE ARG B 30 3.348 -5.530 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.146 -3.406 -9.191 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.304 -3.756 -10.915 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.552 -5.949 -11.005 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.847 -5.185 -11.933 1.00 0.00 H new ATOM 766 N ILE B 31 1.242 -2.191 -4.492 1.00 0.00 N ATOM 767 CA ILE B 31 1.119 -0.774 -4.246 1.00 0.00 C ATOM 768 C ILE B 31 2.517 -0.161 -4.268 1.00 0.00 C ATOM 769 O ILE B 31 3.408 -0.592 -3.528 1.00 0.00 O ATOM 770 CB ILE B 31 0.394 -0.518 -2.894 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.395 0.972 -2.525 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.995 -1.366 -1.777 1.00 0.00 C ATOM 773 CD1 ILE B 31 1.589 1.416 -1.715 1.00 0.00 C ATOM 0 H ILE B 31 1.580 -2.725 -3.691 1.00 0.00 H new ATOM 0 HA ILE B 31 0.514 -0.304 -5.021 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.646 -0.820 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE B 31 0.355 1.560 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -0.512 1.195 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.468 -1.166 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.898 -2.422 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.050 -1.117 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.507 2.481 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.622 0.858 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.502 1.229 -2.280 1.00 0.00 H new ATOM 785 N ALA B 32 2.724 0.807 -5.145 1.00 0.00 N ATOM 786 CA ALA B 32 4.019 1.450 -5.268 1.00 0.00 C ATOM 787 C ALA B 32 3.901 2.960 -5.131 1.00 0.00 C ATOM 788 O ALA B 32 2.842 3.537 -5.354 1.00 0.00 O ATOM 789 CB ALA B 32 4.661 1.089 -6.599 1.00 0.00 C ATOM 0 H ALA B 32 2.011 1.164 -5.782 1.00 0.00 H new ATOM 0 HA ALA B 32 4.653 1.089 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.632 1.578 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.793 0.009 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.019 1.422 -7.415 1.00 0.00 H new ATOM 795 N TRP B 33 4.982 3.591 -4.728 1.00 0.00 N ATOM 796 CA TRP B 33 5.007 5.032 -4.572 1.00 0.00 C ATOM 797 C TRP B 33 6.396 5.565 -4.899 1.00 0.00 C ATOM 798 O TRP B 33 7.406 4.994 -4.474 1.00 0.00 O ATOM 799 CB TRP B 33 4.560 5.408 -3.153 1.00 0.00 C ATOM 800 CG TRP B 33 4.743 6.853 -2.796 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.802 7.831 -2.894 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.921 7.483 -2.273 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.314 9.028 -2.479 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.615 8.844 -2.091 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.203 7.034 -1.943 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.540 9.756 -1.596 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.121 7.942 -1.451 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.785 9.290 -1.280 1.00 0.00 C ATOM 0 H TRP B 33 5.861 3.127 -4.501 1.00 0.00 H new ATOM 0 HA TRP B 33 4.308 5.494 -5.270 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.507 5.151 -3.039 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.115 4.799 -2.439 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.793 7.682 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.810 9.914 -2.461 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.471 5.996 -2.070 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.283 10.797 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.115 7.606 -1.194 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.524 9.975 -0.891 1.00 0.00 H new ATOM 819 N ALA B 34 6.443 6.639 -5.673 1.00 0.00 N ATOM 820 CA ALA B 34 7.703 7.250 -6.062 1.00 0.00 C ATOM 821 C ALA B 34 7.782 8.668 -5.523 1.00 0.00 C ATOM 822 O ALA B 34 6.827 9.433 -5.640 1.00 0.00 O ATOM 823 CB ALA B 34 7.850 7.250 -7.577 1.00 0.00 C ATOM 0 H ALA B 34 5.617 7.107 -6.046 1.00 0.00 H new ATOM 0 HA ALA B 34 8.520 6.666 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.799 7.711 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA B 34 7.826 6.224 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.031 7.815 -8.022 1.00 0.00 H new ATOM 829 N PRO B 35 8.918 9.041 -4.926 1.00 0.00 N ATOM 830 CA PRO B 35 9.103 10.370 -4.365 1.00 0.00 C ATOM 831 C PRO B 35 9.374 11.409 -5.443 1.00 0.00 C ATOM 832 O PRO B 35 10.012 11.117 -6.459 1.00 0.00 O ATOM 833 CB PRO B 35 10.321 10.225 -3.443 1.00 0.00 C ATOM 834 CG PRO B 35 10.778 8.804 -3.555 1.00 0.00 C ATOM 835 CD PRO B 35 10.113 8.214 -4.767 1.00 0.00 C ATOM 0 HA PRO B 35 8.210 10.714 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.114 10.911 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.058 10.467 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.863 8.756 -3.650 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.511 8.243 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.757 8.264 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.860 7.165 -4.617 1.00 0.00 H new ATOM 843 N GLU B 36 8.896 12.622 -5.215 1.00 0.00 N ATOM 844 CA GLU B 36 9.086 13.704 -6.164 1.00 0.00 C ATOM 845 C GLU B 36 10.568 14.033 -6.301 1.00 0.00 C ATOM 846 O GLU B 36 11.282 14.193 -5.301 1.00 0.00 O ATOM 847 CB GLU B 36 8.289 14.937 -5.734 1.00 0.00 C ATOM 848 CG GLU B 36 6.816 14.863 -6.107 1.00 0.00 C ATOM 849 CD GLU B 36 5.989 15.962 -5.469 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.413 17.136 -5.511 1.00 0.00 O ATOM 851 OE2 GLU B 36 4.904 15.660 -4.923 1.00 0.00 O ATOM 0 H GLU B 36 8.373 12.881 -4.379 1.00 0.00 H new ATOM 0 HA GLU B 36 8.716 13.385 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU B 36 8.377 15.060 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.728 15.823 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.718 14.924 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.418 13.894 -5.805 1.00 0.00 H new ATOM 858 N GLY B 37 11.031 14.086 -7.541 1.00 0.00 N ATOM 859 CA GLY B 37 12.422 14.383 -7.808 1.00 0.00 C ATOM 860 C GLY B 37 13.251 13.132 -8.015 1.00 0.00 C ATOM 861 O GLY B 37 14.457 13.212 -8.233 1.00 0.00 O ATOM 0 H GLY B 37 10.462 13.927 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.492 15.013 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.834 14.955 -6.977 1.00 0.00 H new ATOM 865 N LYS B 38 12.611 11.972 -7.926 1.00 0.00 N ATOM 866 CA LYS B 38 13.306 10.704 -8.111 1.00 0.00 C ATOM 867 C LYS B 38 12.820 10.001 -9.370 1.00 0.00 C ATOM 868 O LYS B 38 11.692 10.213 -9.814 1.00 0.00 O ATOM 869 CB LYS B 38 13.133 9.798 -6.888 1.00 0.00 C ATOM 870 CG LYS B 38 13.879 10.291 -5.655 1.00 0.00 C ATOM 871 CD LYS B 38 13.089 11.363 -4.923 1.00 0.00 C ATOM 872 CE LYS B 38 13.967 12.203 -4.017 1.00 0.00 C ATOM 873 NZ LYS B 38 13.169 13.206 -3.260 1.00 0.00 N ATOM 0 H LYS B 38 11.614 11.883 -7.727 1.00 0.00 H new ATOM 0 HA LYS B 38 14.369 10.919 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.072 9.718 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.481 8.795 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.069 9.454 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.850 10.689 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.597 12.009 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.304 10.893 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.496 11.555 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.724 12.713 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.778 14.007 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.386 13.547 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.785 12.766 -2.400 1.00 0.00 H new ATOM 887 N ASP B 39 13.679 9.163 -9.930 1.00 0.00 N ATOM 888 CA ASP B 39 13.373 8.423 -11.150 1.00 0.00 C ATOM 889 C ASP B 39 12.979 6.981 -10.844 1.00 0.00 C ATOM 890 O ASP B 39 12.757 6.183 -11.753 1.00 0.00 O ATOM 891 CB ASP B 39 14.599 8.424 -12.070 1.00 0.00 C ATOM 892 CG ASP B 39 15.751 7.607 -11.502 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.468 6.950 -12.285 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.940 7.611 -10.263 1.00 0.00 O ATOM 0 H ASP B 39 14.608 8.975 -9.554 1.00 0.00 H new ATOM 0 HA ASP B 39 12.531 8.913 -11.639 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.319 8.024 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.929 9.450 -12.230 1.00 0.00 H new ATOM 899 N ARG B 40 12.878 6.650 -9.566 1.00 0.00 N ATOM 900 CA ARG B 40 12.539 5.292 -9.170 1.00 0.00 C ATOM 901 C ARG B 40 11.580 5.268 -7.987 1.00 0.00 C ATOM 902 O ARG B 40 11.494 6.224 -7.216 1.00 0.00 O ATOM 903 CB ARG B 40 13.814 4.516 -8.828 1.00 0.00 C ATOM 904 CG ARG B 40 14.696 5.207 -7.800 1.00 0.00 C ATOM 905 CD ARG B 40 16.162 4.857 -8.004 1.00 0.00 C ATOM 906 NE ARG B 40 16.631 5.239 -9.336 1.00 0.00 N ATOM 907 CZ ARG B 40 17.473 4.520 -10.075 1.00 0.00 C ATOM 908 NH1 ARG B 40 17.983 3.386 -9.603 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.800 4.936 -11.291 1.00 0.00 N ATOM 0 H ARG B 40 13.024 7.297 -8.791 1.00 0.00 H new ATOM 0 HA ARG B 40 12.035 4.817 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.539 3.530 -8.453 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.389 4.360 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.564 6.287 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.386 4.914 -6.797 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.765 5.361 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.303 3.786 -7.862 1.00 0.00 H new ATOM 0 HE ARG B 40 16.289 6.117 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.729 3.062 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.628 2.840 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.407 5.803 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.445 4.389 -11.861 1.00 0.00 H new ATOM 923 N PHE B 41 10.863 4.158 -7.860 1.00 0.00 N ATOM 924 CA PHE B 41 9.910 3.969 -6.778 1.00 0.00 C ATOM 925 C PHE B 41 10.629 3.438 -5.546 1.00 0.00 C ATOM 926 O PHE B 41 11.334 2.433 -5.622 1.00 0.00 O ATOM 927 CB PHE B 41 8.817 2.973 -7.189 1.00 0.00 C ATOM 928 CG PHE B 41 8.022 3.377 -8.401 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.530 3.190 -9.678 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.762 3.933 -8.262 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.793 3.550 -10.791 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.023 4.296 -9.372 1.00 0.00 C ATOM 933 CZ PHE B 41 6.539 4.106 -10.637 1.00 0.00 C ATOM 0 H PHE B 41 10.927 3.368 -8.502 1.00 0.00 H new ATOM 0 HA PHE B 41 9.449 4.931 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.280 2.005 -7.381 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.133 2.839 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.512 2.758 -9.804 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.352 4.085 -7.275 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.198 3.396 -11.780 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.041 4.729 -9.249 1.00 0.00 H new ATOM 0 HZ PHE B 41 5.963 4.392 -11.505 1.00 0.00 H new ATOM 943 N THR B 42 10.467 4.113 -4.423 1.00 0.00 N ATOM 944 CA THR B 42 11.101 3.684 -3.188 1.00 0.00 C ATOM 945 C THR B 42 10.158 2.794 -2.389 1.00 0.00 C ATOM 946 O THR B 42 10.579 2.047 -1.508 1.00 0.00 O ATOM 947 CB THR B 42 11.517 4.891 -2.333 1.00 0.00 C ATOM 948 OG1 THR B 42 10.505 5.903 -2.408 1.00 0.00 O ATOM 949 CG2 THR B 42 12.847 5.459 -2.807 1.00 0.00 C ATOM 0 H THR B 42 9.903 4.959 -4.339 1.00 0.00 H new ATOM 0 HA THR B 42 11.995 3.119 -3.451 1.00 0.00 H new ATOM 0 HB THR B 42 11.633 4.561 -1.300 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.848 5.762 -1.695 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.120 6.312 -2.186 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.618 4.693 -2.730 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.757 5.779 -3.845 1.00 0.00 H new ATOM 957 N ILE B 43 8.875 2.885 -2.711 1.00 0.00 N ATOM 958 CA ILE B 43 7.859 2.098 -2.038 1.00 0.00 C ATOM 959 C ILE B 43 7.292 1.050 -2.985 1.00 0.00 C ATOM 960 O ILE B 43 6.747 1.388 -4.034 1.00 0.00 O ATOM 961 CB ILE B 43 6.710 2.991 -1.516 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.219 3.928 -0.417 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.550 2.146 -1.004 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.741 3.209 0.808 1.00 0.00 C ATOM 0 H ILE B 43 8.515 3.501 -3.440 1.00 0.00 H new ATOM 0 HA ILE B 43 8.331 1.607 -1.187 1.00 0.00 H new ATOM 0 HB ILE B 43 6.345 3.595 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.013 4.553 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.410 4.595 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.756 2.799 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.168 1.524 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.895 1.510 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.083 3.940 1.541 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.944 2.605 1.243 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.572 2.563 0.524 1.00 0.00 H new ATOM 976 N SER B 44 7.458 -0.211 -2.625 1.00 0.00 N ATOM 977 CA SER B 44 6.950 -1.311 -3.422 1.00 0.00 C ATOM 978 C SER B 44 6.559 -2.462 -2.509 1.00 0.00 C ATOM 979 O SER B 44 7.414 -3.206 -2.029 1.00 0.00 O ATOM 980 CB SER B 44 8.000 -1.766 -4.443 1.00 0.00 C ATOM 981 OG SER B 44 7.515 -2.829 -5.249 1.00 0.00 O ATOM 0 H SER B 44 7.946 -0.499 -1.777 1.00 0.00 H new ATOM 0 HA SER B 44 6.069 -0.977 -3.970 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.280 -0.925 -5.078 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.902 -2.086 -3.921 1.00 0.00 H new ATOM 0 HG SER B 44 8.207 -3.095 -5.890 1.00 0.00 H new ATOM 987 N HIS B 45 5.267 -2.594 -2.258 1.00 0.00 N ATOM 988 CA HIS B 45 4.762 -3.651 -1.397 1.00 0.00 C ATOM 989 C HIS B 45 3.687 -4.437 -2.125 1.00 0.00 C ATOM 990 O HIS B 45 2.853 -3.856 -2.822 1.00 0.00 O ATOM 991 CB HIS B 45 4.180 -3.074 -0.099 1.00 0.00 C ATOM 992 CG HIS B 45 5.155 -2.289 0.725 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.496 -0.979 0.654 1.00 0.00 N flip ATOM 994 CD2 HIS B 45 5.897 -2.818 1.758 1.00 0.00 C flip ATOM 995 CE1 HIS B 45 6.443 -0.697 1.633 1.00 0.00 C flip ATOM 996 NE2 HIS B 45 6.648 -1.835 2.270 1.00 0.00 N flip ATOM 0 H HIS B 45 4.547 -1.981 -2.639 1.00 0.00 H new ATOM 0 HA HIS B 45 5.593 -4.308 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.335 -2.432 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.790 -3.893 0.505 1.00 0.00 H new ATOM 0 HD2 HIS B 45 5.877 -3.844 2.095 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.913 0.255 1.831 1.00 0.00 H new ATOM 0 HE2 HIS B 45 7.294 -1.950 3.051 1.00 0.00 H new ATOM 1004 N MET B 46 3.704 -5.748 -1.976 1.00 0.00 N ATOM 1005 CA MET B 46 2.712 -6.585 -2.621 1.00 0.00 C ATOM 1006 C MET B 46 1.468 -6.639 -1.757 1.00 0.00 C ATOM 1007 O MET B 46 1.557 -6.637 -0.533 1.00 0.00 O ATOM 1008 CB MET B 46 3.251 -7.998 -2.854 1.00 0.00 C ATOM 1009 CG MET B 46 4.217 -8.103 -4.021 1.00 0.00 C ATOM 1010 SD MET B 46 3.413 -7.827 -5.612 1.00 0.00 S ATOM 1011 CE MET B 46 4.754 -8.191 -6.737 1.00 0.00 C ATOM 0 H MET B 46 4.391 -6.254 -1.417 1.00 0.00 H new ATOM 0 HA MET B 46 2.469 -6.155 -3.593 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.752 -8.339 -1.948 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.412 -8.672 -3.027 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.018 -7.375 -3.892 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.679 -9.090 -4.018 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.412 -8.065 -7.764 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.585 -7.512 -6.545 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.084 -9.219 -6.589 1.00 0.00 H new ATOM 1021 N TYR B 47 0.308 -6.682 -2.393 1.00 0.00 N ATOM 1022 CA TYR B 47 -0.960 -6.741 -1.668 1.00 0.00 C ATOM 1023 C TYR B 47 -1.034 -8.007 -0.820 1.00 0.00 C ATOM 1024 O TYR B 47 -1.778 -8.072 0.154 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.114 -6.695 -2.664 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.174 -5.392 -3.420 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.659 -5.333 -4.716 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.738 -4.213 -2.829 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.708 -4.136 -5.397 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -1.785 -3.015 -3.505 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.271 -2.981 -4.789 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.322 -1.789 -5.473 1.00 0.00 O ATOM 0 H TYR B 47 0.214 -6.677 -3.409 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.030 -5.884 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.011 -7.517 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.054 -6.847 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.003 -6.236 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.355 -4.237 -1.820 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.089 -4.104 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.442 -2.108 -3.029 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.217 -1.958 -6.433 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.223 -8.992 -1.178 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.183 -10.256 -0.463 1.00 0.00 C ATOM 1044 C ALA B 48 0.538 -10.117 0.877 1.00 0.00 C ATOM 1045 O ALA B 48 0.489 -11.025 1.698 1.00 0.00 O ATOM 1046 CB ALA B 48 0.483 -11.321 -1.319 1.00 0.00 C ATOM 0 H ALA B 48 0.421 -8.937 -1.967 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.209 -10.559 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.507 -12.264 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.081 -11.451 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.501 -11.013 -1.556 1.00 0.00 H new ATOM 1052 N ASP B 49 1.206 -8.979 1.080 1.00 0.00 N ATOM 1053 CA ASP B 49 1.925 -8.707 2.318 1.00 0.00 C ATOM 1054 C ASP B 49 1.180 -7.652 3.121 1.00 0.00 C ATOM 1055 O ASP B 49 1.481 -7.410 4.295 1.00 0.00 O ATOM 1056 CB ASP B 49 3.331 -8.180 2.069 1.00 0.00 C ATOM 1057 CG ASP B 49 3.976 -8.664 0.781 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.432 -7.802 -0.010 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.039 -9.891 0.558 1.00 0.00 O ATOM 0 H ASP B 49 1.261 -8.227 0.393 1.00 0.00 H new ATOM 0 HA ASP B 49 1.991 -9.653 2.856 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.298 -7.091 2.055 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.965 -8.469 2.907 1.00 0.00 H new ATOM 1064 N ILE B 50 0.206 -7.019 2.490 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.578 -5.999 3.159 1.00 0.00 C ATOM 1066 C ILE B 50 -1.792 -6.670 3.786 1.00 0.00 C ATOM 1067 O ILE B 50 -2.485 -7.437 3.124 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.073 -4.898 2.193 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.097 -4.682 1.031 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.305 -3.597 2.945 1.00 0.00 C ATOM 1071 CD1 ILE B 50 1.142 -3.894 1.389 1.00 0.00 C ATOM 0 H ILE B 50 -0.059 -7.193 1.520 1.00 0.00 H new ATOM 0 HA ILE B 50 0.059 -5.522 3.904 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.019 -5.233 1.768 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.206 -5.654 0.643 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.620 -4.166 0.226 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.653 -2.832 2.251 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.056 -3.753 3.719 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.372 -3.271 3.405 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.774 -3.790 0.507 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.854 -2.906 1.747 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.693 -4.417 2.171 1.00 0.00 H new ATOM 1083 N LYS B 51 -2.056 -6.395 5.048 1.00 0.00 N ATOM 1084 CA LYS B 51 -3.187 -7.005 5.720 1.00 0.00 C ATOM 1085 C LYS B 51 -4.429 -6.161 5.502 1.00 0.00 C ATOM 1086 O LYS B 51 -5.502 -6.671 5.204 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.907 -7.147 7.216 1.00 0.00 C ATOM 1088 CG LYS B 51 -4.111 -7.594 8.028 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.854 -7.431 9.512 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.135 -7.559 10.324 1.00 0.00 C ATOM 1091 NZ LYS B 51 -6.195 -6.620 9.862 1.00 0.00 N ATOM 0 H LYS B 51 -1.508 -5.758 5.626 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.350 -7.999 5.302 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.099 -7.864 7.358 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.555 -6.190 7.602 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.985 -7.010 7.740 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.337 -8.637 7.807 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.138 -8.183 9.842 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.401 -6.457 9.698 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.505 -8.582 10.256 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.917 -7.368 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.812 -6.372 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.754 -5.757 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.760 -7.074 9.117 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.254 -4.858 5.627 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.332 -3.918 5.474 1.00 0.00 C ATOM 1107 C CYS B 52 -4.770 -2.525 5.305 1.00 0.00 C ATOM 1108 O CYS B 52 -3.554 -2.342 5.251 1.00 0.00 O ATOM 1109 CB CYS B 52 -6.234 -3.965 6.698 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.360 -3.982 8.282 1.00 0.00 S ATOM 0 H CYS B 52 -3.354 -4.428 5.838 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.915 -4.180 4.591 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.900 -3.102 6.675 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.862 -4.854 6.636 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.175 -2.761 8.688 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.639 -1.545 5.202 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.194 -0.184 5.061 1.00 0.00 C ATOM 1118 C GLN B 53 -6.039 0.737 5.933 1.00 0.00 C ATOM 1119 O GLN B 53 -7.240 0.519 6.093 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.233 0.260 3.596 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.570 0.831 3.126 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.658 -0.216 2.948 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -8.825 0.035 3.238 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -7.293 -1.385 2.445 1.00 0.00 N ATOM 0 H GLN B 53 -6.652 -1.667 5.213 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.158 -0.124 5.395 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.460 1.012 3.440 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.979 -0.593 2.967 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.910 1.575 3.847 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.420 1.350 2.179 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.314 -1.558 2.216 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.990 -2.112 2.287 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.411 1.735 6.529 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.136 2.684 7.353 1.00 0.00 C ATOM 1135 C LYS B 54 -6.280 3.987 6.605 1.00 0.00 C ATOM 1136 O LYS B 54 -5.435 4.327 5.782 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.403 3.010 8.646 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.377 1.938 9.703 1.00 0.00 C ATOM 1139 CD LYS B 54 -5.021 2.575 11.034 1.00 0.00 C ATOM 1140 CE LYS B 54 -5.118 1.623 12.202 1.00 0.00 C ATOM 1141 NZ LYS B 54 -4.216 0.449 12.042 1.00 0.00 N ATOM 0 H LYS B 54 -4.408 1.908 6.459 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.097 2.225 7.585 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.373 3.266 8.397 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.857 3.902 9.078 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.348 1.447 9.767 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.648 1.170 9.445 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.006 2.969 10.980 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.683 3.423 11.211 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.866 2.151 13.122 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -6.147 1.278 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.941 0.092 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.711 -0.300 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.365 0.734 11.517 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.339 4.715 6.885 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.537 6.010 6.276 1.00 0.00 C ATOM 1157 C ILE B 55 -7.774 7.016 7.392 1.00 0.00 C ATOM 1158 O ILE B 55 -8.561 6.764 8.305 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.695 6.030 5.236 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.044 6.392 5.861 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.803 4.682 4.545 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.978 7.081 4.887 1.00 0.00 C ATOM 0 H ILE B 55 -8.076 4.431 7.531 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.645 6.270 5.706 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.451 6.806 4.510 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.521 5.486 6.235 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.878 7.042 6.720 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.617 4.709 3.820 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.867 4.460 4.032 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.003 3.908 5.286 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.918 7.313 5.387 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.518 8.003 4.532 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.170 6.423 4.040 1.00 0.00 H new ATOM 1174 N SER B 56 -7.047 8.113 7.375 1.00 0.00 N ATOM 1175 CA SER B 56 -7.207 9.109 8.405 1.00 0.00 C ATOM 1176 C SER B 56 -8.204 10.149 7.933 1.00 0.00 C ATOM 1177 O SER B 56 -8.011 10.785 6.872 1.00 0.00 O ATOM 1178 CB SER B 56 -5.876 9.747 8.781 1.00 0.00 C ATOM 1179 OG SER B 56 -5.612 10.897 8.010 1.00 0.00 O ATOM 0 H SER B 56 -6.347 8.334 6.666 1.00 0.00 H new ATOM 0 HA SER B 56 -7.586 8.629 9.307 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.886 10.012 9.838 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.073 9.023 8.641 1.00 0.00 H new ATOM 0 HG SER B 56 -5.523 11.674 8.601 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.278 10.291 8.727 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.405 11.196 8.468 1.00 0.00 C ATOM 1187 C PRO B 57 -10.063 12.675 8.567 1.00 0.00 C ATOM 1188 O PRO B 57 -8.955 13.063 8.949 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.410 10.828 9.566 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.572 10.292 10.670 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.455 9.561 9.996 1.00 0.00 C ATOM 0 HA PRO B 57 -10.764 11.072 7.446 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.983 11.698 9.888 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.127 10.086 9.215 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.192 11.095 11.302 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.147 9.626 11.313 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.546 9.576 10.597 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.707 8.514 9.825 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.040 13.485 8.189 1.00 0.00 N ATOM 1200 CA GLU B 58 -10.928 14.928 8.225 1.00 0.00 C ATOM 1201 C GLU B 58 -10.749 15.412 9.662 1.00 0.00 C ATOM 1202 O GLU B 58 -11.084 14.711 10.616 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.170 15.571 7.594 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.281 15.366 6.085 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.334 13.902 5.683 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.645 13.522 4.716 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.039 13.123 6.357 1.00 0.00 O ATOM 0 H GLU B 58 -11.941 13.152 7.846 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.051 15.225 7.650 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.060 15.161 8.072 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.159 16.640 7.805 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.177 15.869 5.721 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.429 15.840 5.597 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.243 16.623 9.802 1.00 0.00 N ATOM 1215 CA GLY B 59 -9.988 17.184 11.113 1.00 0.00 C ATOM 1216 C GLY B 59 -8.504 17.363 11.315 1.00 0.00 C ATOM 1217 O GLY B 59 -8.061 18.260 12.029 1.00 0.00 O ATOM 0 H GLY B 59 -10.001 17.236 9.023 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.496 18.143 11.213 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.392 16.528 11.884 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.739 16.505 10.658 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.294 16.581 10.695 1.00 0.00 C ATOM 1223 C LYS B 60 -5.842 17.502 9.581 1.00 0.00 C ATOM 1224 O LYS B 60 -6.555 17.684 8.593 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.658 15.196 10.521 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.416 14.449 11.825 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.811 13.074 11.568 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.226 12.450 12.828 1.00 0.00 C ATOM 1229 NZ LYS B 60 -5.008 12.796 14.046 1.00 0.00 N ATOM 0 H LYS B 60 -8.104 15.742 10.088 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.978 16.966 11.665 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.302 14.591 9.884 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.708 15.308 9.999 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.748 15.030 12.461 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.357 14.340 12.365 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.577 12.414 11.161 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.030 13.160 10.812 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.196 11.366 12.714 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.196 12.786 12.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.920 12.030 14.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.642 13.680 14.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -6.009 12.920 13.792 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.675 18.091 9.744 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.140 18.995 8.742 1.00 0.00 C ATOM 1245 C ALA B 61 -3.746 18.244 7.490 1.00 0.00 C ATOM 1246 O ALA B 61 -3.572 18.835 6.426 1.00 0.00 O ATOM 1247 CB ALA B 61 -2.945 19.731 9.297 1.00 0.00 C ATOM 0 H ALA B 61 -4.077 17.961 10.560 1.00 0.00 H new ATOM 0 HA ALA B 61 -4.917 19.713 8.481 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.550 20.407 8.539 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.246 20.305 10.173 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.175 19.013 9.580 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.598 16.943 7.623 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.229 16.129 6.498 1.00 0.00 C ATOM 1255 C LYS B 62 -4.125 14.904 6.403 1.00 0.00 C ATOM 1256 O LYS B 62 -4.414 14.258 7.408 1.00 0.00 O ATOM 1257 CB LYS B 62 -1.759 15.698 6.588 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.388 14.960 7.869 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.321 13.905 7.607 1.00 0.00 C ATOM 1260 CE LYS B 62 0.113 13.199 8.881 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.739 11.875 8.602 1.00 0.00 N ATOM 0 H LYS B 62 -3.728 16.434 8.497 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.358 16.730 5.598 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.530 15.057 5.737 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.129 16.583 6.500 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.025 15.672 8.610 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.275 14.487 8.289 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.705 13.170 6.899 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.545 14.375 7.141 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.821 13.828 9.420 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.751 13.061 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.285 11.567 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.004 11.176 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.373 11.957 7.781 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.598 14.619 5.204 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.410 13.439 4.975 1.00 0.00 C ATOM 1277 C ILE B 63 -4.446 12.268 4.895 1.00 0.00 C ATOM 1278 O ILE B 63 -3.408 12.384 4.248 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.240 13.571 3.676 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.406 14.537 3.892 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.754 12.220 3.212 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.148 15.942 3.383 1.00 0.00 C ATOM 0 H ILE B 63 -4.434 15.189 4.374 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.131 13.299 5.780 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.589 13.967 2.897 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.291 14.139 3.395 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.633 14.584 4.957 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.333 12.346 2.297 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -5.911 11.557 3.019 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.387 11.786 3.986 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.022 16.564 3.574 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.284 16.362 3.897 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -6.952 15.910 2.311 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.727 11.151 5.546 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.740 10.072 5.520 1.00 0.00 C ATOM 1296 C GLN B 64 -4.305 8.706 5.238 1.00 0.00 C ATOM 1297 O GLN B 64 -5.506 8.463 5.303 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.969 9.985 6.835 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.473 11.309 7.363 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.791 11.489 8.830 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.981 12.604 9.298 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.840 10.388 9.570 1.00 0.00 N ATOM 0 H GLN B 64 -5.580 10.966 6.073 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.086 10.344 4.691 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.611 9.527 7.587 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.115 9.321 6.697 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.395 11.378 7.215 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.926 12.120 6.792 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.676 9.477 9.141 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -3.042 10.453 10.568 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.390 7.834 4.873 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.671 6.447 4.617 1.00 0.00 C ATOM 1313 C LEU B 65 -2.497 5.644 5.150 1.00 0.00 C ATOM 1314 O LEU B 65 -1.406 6.179 5.259 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.801 6.189 3.125 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.624 4.965 2.753 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.079 5.344 2.554 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.057 4.297 1.519 1.00 0.00 C ATOM 0 H LEU B 65 -2.409 8.081 4.744 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.608 6.165 5.098 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.250 7.066 2.658 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.802 6.079 2.702 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.573 4.249 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.653 4.456 2.288 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.474 5.769 3.477 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.157 6.080 1.753 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.659 3.424 1.269 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.072 4.999 0.686 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.030 3.986 1.713 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.696 4.397 5.526 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.580 3.600 6.010 1.00 0.00 C ATOM 1332 C GLN B 66 -1.745 2.147 5.598 1.00 0.00 C ATOM 1333 O GLN B 66 -2.853 1.615 5.585 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.409 3.724 7.533 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.173 2.694 8.345 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.866 2.760 9.832 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.986 1.765 10.549 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.480 3.929 10.310 1.00 0.00 N ATOM 0 H GLN B 66 -3.597 3.919 5.508 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.671 3.989 5.551 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.349 3.642 7.773 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.730 4.719 7.841 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.242 2.841 8.194 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.933 1.697 7.974 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.392 4.731 9.686 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.270 4.030 11.303 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.640 1.525 5.246 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.633 0.137 4.836 1.00 0.00 C ATOM 1349 C LEU B 67 -0.331 -0.748 6.023 1.00 0.00 C ATOM 1350 O LEU B 67 0.819 -0.882 6.427 1.00 0.00 O ATOM 1351 CB LEU B 67 0.424 -0.099 3.763 1.00 0.00 C ATOM 1352 CG LEU B 67 0.204 0.623 2.439 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.374 0.353 1.510 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.102 0.185 1.796 1.00 0.00 C ATOM 0 H LEU B 67 0.279 1.967 5.236 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.616 -0.105 4.432 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.392 0.203 4.162 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.480 -1.169 3.566 1.00 0.00 H new ATOM 0 HG LEU B 67 0.140 1.695 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.214 0.870 0.564 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.294 0.713 1.970 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.455 -0.719 1.328 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.238 0.713 0.852 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.074 -0.889 1.610 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -1.932 0.416 2.464 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.360 -1.333 6.590 1.00 0.00 N ATOM 1367 CA VAL B 68 -1.193 -2.206 7.728 1.00 0.00 C ATOM 1368 C VAL B 68 -0.890 -3.608 7.237 1.00 0.00 C ATOM 1369 O VAL B 68 -1.733 -4.257 6.631 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.445 -2.213 8.613 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -2.157 -2.888 9.937 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.934 -0.794 8.833 1.00 0.00 C ATOM 0 H VAL B 68 -2.325 -1.220 6.280 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.364 -1.839 8.333 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.228 -2.778 8.107 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.057 -2.883 10.551 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.844 -3.917 9.760 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.362 -2.351 10.454 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.824 -0.809 9.463 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.153 -0.212 9.322 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.177 -0.340 7.872 1.00 0.00 H new ATOM 1382 N LEU B 69 0.321 -4.062 7.480 1.00 0.00 N ATOM 1383 CA LEU B 69 0.745 -5.372 7.024 1.00 0.00 C ATOM 1384 C LEU B 69 0.548 -6.426 8.097 1.00 0.00 C ATOM 1385 O LEU B 69 0.504 -6.118 9.287 1.00 0.00 O ATOM 1386 CB LEU B 69 2.217 -5.328 6.624 1.00 0.00 C ATOM 1387 CG LEU B 69 2.661 -4.024 5.969 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.149 -4.036 5.720 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.923 -3.798 4.669 1.00 0.00 C ATOM 0 H LEU B 69 1.033 -3.542 7.993 1.00 0.00 H new ATOM 0 HA LEU B 69 0.131 -5.640 6.164 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.826 -5.498 7.512 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.418 -6.150 5.937 1.00 0.00 H new ATOM 0 HG LEU B 69 2.424 -3.207 6.651 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.447 -3.098 5.252 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.675 -4.153 6.667 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.401 -4.866 5.060 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.256 -2.862 4.220 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.129 -4.622 3.986 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.852 -3.746 4.863 1.00 0.00 H new ATOM 1401 N HIS B 70 0.436 -7.677 7.670 1.00 0.00 N ATOM 1402 CA HIS B 70 0.281 -8.787 8.604 1.00 0.00 C ATOM 1403 C HIS B 70 1.646 -9.150 9.167 1.00 0.00 C ATOM 1404 O HIS B 70 1.784 -10.039 10.000 1.00 0.00 O ATOM 1405 CB HIS B 70 -0.358 -10.015 7.936 1.00 0.00 C ATOM 1406 CG HIS B 70 -0.160 -10.084 6.454 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -1.118 -9.715 5.541 1.00 0.00 N ATOM 1408 CD2 HIS B 70 0.919 -10.471 5.721 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.601 -9.881 4.323 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.622 -10.344 4.387 1.00 0.00 N ATOM 0 H HIS B 70 0.449 -7.949 6.687 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.388 -8.472 9.405 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.056 -10.916 8.388 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.427 -10.014 8.148 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -2.055 -9.375 5.756 1.00 0.00 H new ATOM 0 HD2 HIS B 70 1.858 -10.822 6.124 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.123 -9.662 3.403 1.00 0.00 H new ATOM 1418 N ALA B 71 2.649 -8.429 8.685 1.00 0.00 N ATOM 1419 CA ALA B 71 4.025 -8.615 9.102 1.00 0.00 C ATOM 1420 C ALA B 71 4.293 -7.875 10.409 1.00 0.00 C ATOM 1421 O ALA B 71 5.380 -7.964 10.973 1.00 0.00 O ATOM 1422 CB ALA B 71 4.957 -8.115 8.008 1.00 0.00 C ATOM 0 H ALA B 71 2.526 -7.694 7.989 1.00 0.00 H new ATOM 0 HA ALA B 71 4.206 -9.676 9.271 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.992 -8.254 8.320 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.776 -8.676 7.091 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.772 -7.056 7.828 1.00 0.00 H new ATOM 1428 N GLY B 72 3.286 -7.146 10.880 1.00 0.00 N ATOM 1429 CA GLY B 72 3.428 -6.389 12.108 1.00 0.00 C ATOM 1430 C GLY B 72 3.984 -5.006 11.847 1.00 0.00 C ATOM 1431 O GLY B 72 4.494 -4.351 12.753 1.00 0.00 O ATOM 0 H GLY B 72 2.373 -7.067 10.432 1.00 0.00 H new ATOM 0 HA2 GLY B 72 2.459 -6.306 12.599 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.087 -6.924 12.792 1.00 0.00 H new ATOM 1435 N ASP B 73 3.871 -4.567 10.602 1.00 0.00 N ATOM 1436 CA ASP B 73 4.373 -3.259 10.195 1.00 0.00 C ATOM 1437 C ASP B 73 3.271 -2.449 9.523 1.00 0.00 C ATOM 1438 O ASP B 73 2.282 -3.012 9.047 1.00 0.00 O ATOM 1439 CB ASP B 73 5.568 -3.429 9.247 1.00 0.00 C ATOM 1440 CG ASP B 73 6.094 -2.105 8.723 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.256 -1.974 7.493 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.328 -1.193 9.545 1.00 0.00 O ATOM 0 H ASP B 73 3.433 -5.100 9.850 1.00 0.00 H new ATOM 0 HA ASP B 73 4.701 -2.718 11.082 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.369 -3.952 9.769 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.273 -4.056 8.406 1.00 0.00 H new ATOM 1447 N THR B 74 3.438 -1.135 9.495 1.00 0.00 N ATOM 1448 CA THR B 74 2.464 -0.248 8.884 1.00 0.00 C ATOM 1449 C THR B 74 3.174 0.839 8.071 1.00 0.00 C ATOM 1450 O THR B 74 4.093 1.490 8.566 1.00 0.00 O ATOM 1451 CB THR B 74 1.582 0.427 9.957 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.398 0.924 11.024 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.560 -0.548 10.518 1.00 0.00 C ATOM 0 H THR B 74 4.247 -0.658 9.893 1.00 0.00 H new ATOM 0 HA THR B 74 1.833 -0.848 8.229 1.00 0.00 H new ATOM 0 HB THR B 74 1.053 1.254 9.483 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.171 1.398 10.651 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.047 -0.046 11.271 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.083 -0.905 9.713 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.076 -1.394 10.973 1.00 0.00 H new ATOM 1461 N THR B 75 2.738 1.040 6.838 1.00 0.00 N ATOM 1462 CA THR B 75 3.326 2.049 5.965 1.00 0.00 C ATOM 1463 C THR B 75 2.371 3.234 5.803 1.00 0.00 C ATOM 1464 O THR B 75 1.399 3.148 5.057 1.00 0.00 O ATOM 1465 CB THR B 75 3.634 1.444 4.581 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.182 0.127 4.736 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.609 2.320 3.807 1.00 0.00 C ATOM 0 H THR B 75 1.973 0.514 6.415 1.00 0.00 H new ATOM 0 HA THR B 75 4.254 2.397 6.419 1.00 0.00 H new ATOM 0 HB THR B 75 2.702 1.387 4.018 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.374 -0.253 3.853 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.809 1.870 2.835 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.176 3.310 3.667 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.541 2.408 4.365 1.00 0.00 H new ATOM 1475 N ASN B 76 2.648 4.339 6.484 1.00 0.00 N ATOM 1476 CA ASN B 76 1.763 5.503 6.421 1.00 0.00 C ATOM 1477 C ASN B 76 2.031 6.363 5.192 1.00 0.00 C ATOM 1478 O ASN B 76 3.169 6.510 4.758 1.00 0.00 O ATOM 1479 CB ASN B 76 1.889 6.357 7.685 1.00 0.00 C ATOM 1480 CG ASN B 76 1.287 5.690 8.909 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.315 4.469 9.051 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.716 6.489 9.794 1.00 0.00 N ATOM 0 H ASN B 76 3.467 4.457 7.080 1.00 0.00 H new ATOM 0 HA ASN B 76 0.746 5.118 6.348 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.942 6.567 7.872 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.397 7.316 7.521 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.279 6.097 10.628 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.712 7.498 9.643 1.00 0.00 H new ATOM 1489 N PHE B 77 0.960 6.915 4.638 1.00 0.00 N ATOM 1490 CA PHE B 77 1.027 7.771 3.466 1.00 0.00 C ATOM 1491 C PHE B 77 0.326 9.097 3.741 1.00 0.00 C ATOM 1492 O PHE B 77 -0.832 9.134 4.164 1.00 0.00 O ATOM 1493 CB PHE B 77 0.398 7.081 2.255 1.00 0.00 C ATOM 1494 CG PHE B 77 1.303 6.073 1.611 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.353 6.483 0.807 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.107 4.718 1.813 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.191 5.561 0.216 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.943 3.790 1.224 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.986 4.213 0.425 1.00 0.00 C ATOM 0 H PHE B 77 0.014 6.779 4.994 1.00 0.00 H new ATOM 0 HA PHE B 77 2.076 7.966 3.243 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.523 6.587 2.565 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.123 7.835 1.518 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.518 7.537 0.641 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.292 4.383 2.438 1.00 0.00 H new ATOM 0 HE1 PHE B 77 4.006 5.894 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.781 2.735 1.388 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.641 3.489 -0.036 1.00 0.00 H new ATOM 1509 N HIS B 78 1.048 10.170 3.486 1.00 0.00 N ATOM 1510 CA HIS B 78 0.576 11.529 3.707 1.00 0.00 C ATOM 1511 C HIS B 78 -0.072 12.101 2.445 1.00 0.00 C ATOM 1512 O HIS B 78 0.621 12.519 1.522 1.00 0.00 O ATOM 1513 CB HIS B 78 1.800 12.358 4.105 1.00 0.00 C ATOM 1514 CG HIS B 78 1.565 13.779 4.526 1.00 0.00 C ATOM 1515 ND1 HIS B 78 2.146 14.328 5.645 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.885 14.789 3.925 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.822 15.624 5.690 1.00 0.00 C ATOM 1518 NE2 HIS B 78 1.057 15.957 4.667 1.00 0.00 N ATOM 0 H HIS B 78 1.996 10.125 3.113 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.185 11.549 4.487 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.304 11.843 4.923 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.490 12.367 3.261 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.305 14.702 3.018 1.00 0.00 H new ATOM 0 HE1 HIS B 78 2.144 16.308 6.461 1.00 0.00 H new ATOM 0 HE2 HIS B 78 0.671 16.879 4.462 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.393 12.112 2.401 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.113 12.657 1.257 1.00 0.00 C ATOM 1528 C PHE B 79 -2.139 14.182 1.361 1.00 0.00 C ATOM 1529 O PHE B 79 -2.946 14.745 2.100 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.544 12.116 1.217 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.684 10.787 0.535 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.439 9.603 1.212 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.077 10.726 -0.788 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.588 8.382 0.576 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.223 9.513 -1.424 1.00 0.00 C ATOM 1536 CZ PHE B 79 -3.980 8.340 -0.747 1.00 0.00 C ATOM 0 H PHE B 79 -1.992 11.750 3.143 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.605 12.358 0.340 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -3.915 12.028 2.238 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.180 12.841 0.708 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.129 9.633 2.246 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.272 11.640 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.398 7.465 1.114 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.530 9.482 -2.459 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.095 7.390 -1.249 1.00 0.00 H new ATOM 1546 N SER B 80 -1.252 14.848 0.634 1.00 0.00 N ATOM 1547 CA SER B 80 -1.173 16.302 0.695 1.00 0.00 C ATOM 1548 C SER B 80 -1.661 16.985 -0.584 1.00 0.00 C ATOM 1549 O SER B 80 -1.480 18.191 -0.748 1.00 0.00 O ATOM 1550 CB SER B 80 0.261 16.729 1.008 1.00 0.00 C ATOM 1551 OG SER B 80 1.200 15.791 0.503 1.00 0.00 O ATOM 0 H SER B 80 -0.583 14.410 0.001 1.00 0.00 H new ATOM 0 HA SER B 80 -1.842 16.624 1.493 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.454 17.710 0.573 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.386 16.828 2.086 1.00 0.00 H new ATOM 0 HG SER B 80 0.986 15.584 -0.431 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.271 16.231 -1.490 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.780 16.825 -2.724 1.00 0.00 C ATOM 1559 C ASN B 81 -4.150 17.443 -2.468 1.00 0.00 C ATOM 1560 O ASN B 81 -5.176 16.786 -2.598 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.853 15.785 -3.850 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.287 16.377 -5.187 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.797 15.666 -6.055 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.081 17.672 -5.376 1.00 0.00 N ATOM 0 H ASN B 81 -2.424 15.227 -1.399 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.092 17.607 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.876 15.317 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.551 14.998 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.347 18.107 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.657 18.234 -4.638 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.133 18.720 -2.117 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.337 19.501 -1.800 1.00 0.00 C ATOM 1573 C GLU B 82 -6.515 19.213 -2.737 1.00 0.00 C ATOM 1574 O GLU B 82 -7.659 19.092 -2.289 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.022 21.006 -1.844 1.00 0.00 C ATOM 1576 CG GLU B 82 -3.677 21.367 -2.479 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.508 20.827 -3.891 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.555 20.049 -4.115 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -4.347 21.144 -4.761 1.00 0.00 O ATOM 0 H GLU B 82 -3.271 19.260 -2.041 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.636 19.197 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.815 21.512 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -5.043 21.396 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.573 22.452 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -2.873 20.981 -1.852 1.00 0.00 H new ATOM 1586 N SER B 83 -6.227 19.096 -4.021 1.00 0.00 N ATOM 1587 CA SER B 83 -7.247 18.862 -5.028 1.00 0.00 C ATOM 1588 C SER B 83 -8.066 17.593 -4.788 1.00 0.00 C ATOM 1589 O SER B 83 -9.294 17.660 -4.635 1.00 0.00 O ATOM 1590 CB SER B 83 -6.595 18.808 -6.411 1.00 0.00 C ATOM 1591 OG SER B 83 -5.225 19.175 -6.350 1.00 0.00 O ATOM 0 H SER B 83 -5.280 19.160 -4.395 1.00 0.00 H new ATOM 0 HA SER B 83 -7.948 19.694 -4.965 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.686 17.802 -6.819 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.123 19.477 -7.091 1.00 0.00 H new ATOM 0 HG SER B 83 -5.142 20.062 -5.941 1.00 0.00 H new ATOM 1597 N THR B 84 -7.423 16.439 -4.752 1.00 0.00 N ATOM 1598 CA THR B 84 -8.171 15.203 -4.609 1.00 0.00 C ATOM 1599 C THR B 84 -7.713 14.275 -3.480 1.00 0.00 C ATOM 1600 O THR B 84 -8.251 13.186 -3.365 1.00 0.00 O ATOM 1601 CB THR B 84 -8.153 14.462 -5.955 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.815 14.418 -6.475 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.051 15.186 -6.947 1.00 0.00 C ATOM 0 H THR B 84 -6.411 16.332 -4.818 1.00 0.00 H new ATOM 0 HA THR B 84 -9.181 15.493 -4.319 1.00 0.00 H new ATOM 0 HB THR B 84 -8.515 13.445 -5.804 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.182 14.291 -5.738 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.038 14.660 -7.901 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.070 15.213 -6.562 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.689 16.204 -7.089 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.785 14.715 -2.630 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.249 13.880 -1.534 1.00 0.00 C ATOM 1613 C ALA B 85 -7.323 13.099 -0.776 1.00 0.00 C ATOM 1614 O ALA B 85 -7.159 11.911 -0.526 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.457 14.727 -0.550 1.00 0.00 C ATOM 0 H ALA B 85 -6.381 15.651 -2.673 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.598 13.149 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.072 14.093 0.248 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.625 15.204 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.106 15.492 -0.124 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.404 13.766 -0.398 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.490 13.111 0.329 1.00 0.00 C ATOM 1623 C VAL B 86 -10.088 11.957 -0.492 1.00 0.00 C ATOM 1624 O VAL B 86 -10.177 10.827 -0.018 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.584 14.139 0.721 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -11.970 13.507 0.782 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.252 14.783 2.052 1.00 0.00 C ATOM 0 H VAL B 86 -8.555 14.758 -0.581 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.077 12.688 1.245 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.602 14.902 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.703 14.264 1.060 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.226 13.096 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -11.974 12.709 1.524 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.029 15.501 2.312 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.194 14.015 2.823 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.293 15.296 1.979 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.449 12.245 -1.738 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.031 11.243 -2.635 1.00 0.00 C ATOM 1639 C LYS B 87 -9.976 10.211 -3.012 1.00 0.00 C ATOM 1640 O LYS B 87 -10.278 9.036 -3.199 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.572 11.930 -3.896 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.381 13.190 -3.616 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.717 14.423 -4.216 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.466 15.701 -3.860 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.908 16.894 -4.561 1.00 0.00 N ATOM 0 H LYS B 87 -10.349 13.170 -2.155 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.852 10.738 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.735 12.185 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.197 11.224 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.384 13.079 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.491 13.322 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.690 14.493 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.671 14.319 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.518 15.588 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.419 15.860 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.266 17.760 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.870 16.877 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.199 16.878 -5.559 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.740 10.670 -3.131 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.623 9.804 -3.450 1.00 0.00 C ATOM 1661 C GLU B 88 -7.422 8.820 -2.309 1.00 0.00 C ATOM 1662 O GLU B 88 -7.251 7.628 -2.538 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.371 10.643 -3.719 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.225 11.027 -5.185 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.152 12.069 -5.427 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.239 13.163 -4.840 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.236 11.813 -6.236 1.00 0.00 O ATOM 0 H GLU B 88 -8.487 11.650 -3.009 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.827 9.235 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.408 11.548 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.490 10.084 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.993 10.134 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.179 11.406 -5.551 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.479 9.330 -1.078 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.362 8.502 0.118 1.00 0.00 C ATOM 1676 C ARG B 89 -8.404 7.407 0.048 1.00 0.00 C ATOM 1677 O ARG B 89 -8.127 6.228 0.261 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.618 9.348 1.371 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.566 8.571 2.674 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.396 9.258 3.751 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.724 9.640 3.260 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.423 10.682 3.711 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -9.954 11.444 4.691 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.609 10.955 3.188 1.00 0.00 N ATOM 0 H ARG B 89 -7.607 10.323 -0.885 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.359 8.078 0.170 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.880 10.149 1.410 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.597 9.820 1.282 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.938 7.559 2.513 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.532 8.482 3.008 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.504 8.591 4.606 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.870 10.146 4.103 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.141 9.070 2.524 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.047 11.236 5.110 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.500 12.238 5.026 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.985 10.369 2.443 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.146 11.751 3.531 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.605 7.838 -0.279 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.749 6.965 -0.410 1.00 0.00 C ATOM 1700 C ASP B 90 -10.565 5.932 -1.521 1.00 0.00 C ATOM 1701 O ASP B 90 -10.821 4.756 -1.306 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.000 7.822 -0.616 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.673 8.146 0.703 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.540 7.355 1.135 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.310 9.165 1.327 1.00 0.00 O ATOM 0 H ASP B 90 -9.815 8.819 -0.463 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.861 6.385 0.506 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.729 8.747 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.701 7.295 -1.264 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.086 6.355 -2.682 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.876 5.436 -3.802 1.00 0.00 C ATOM 1712 C ALA B 91 -8.739 4.456 -3.514 1.00 0.00 C ATOM 1713 O ALA B 91 -8.850 3.277 -3.838 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.606 6.210 -5.083 1.00 0.00 C ATOM 0 H ALA B 91 -9.835 7.324 -2.877 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.789 4.855 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.452 5.511 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.458 6.852 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.714 6.823 -4.956 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.644 4.938 -2.920 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.529 4.054 -2.569 1.00 0.00 C ATOM 1722 C VAL B 92 -7.054 3.030 -1.573 1.00 0.00 C ATOM 1723 O VAL B 92 -6.757 1.841 -1.660 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.339 4.816 -1.945 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.184 3.870 -1.675 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.880 5.939 -2.852 1.00 0.00 C ATOM 0 H VAL B 92 -7.506 5.919 -2.675 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.156 3.583 -3.479 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.675 5.246 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.355 4.424 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.506 3.091 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.860 3.414 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.041 6.460 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.567 5.527 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.701 6.639 -3.008 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.870 3.527 -0.645 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.510 2.701 0.369 1.00 0.00 C ATOM 1738 C LYS B 93 -9.378 1.654 -0.303 1.00 0.00 C ATOM 1739 O LYS B 93 -9.181 0.460 -0.123 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.382 3.579 1.276 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.348 2.800 2.166 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.795 2.984 1.720 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.235 4.436 1.837 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.451 4.725 1.029 1.00 0.00 N ATOM 0 H LYS B 93 -8.105 4.517 -0.578 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.744 2.210 0.968 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.733 4.185 1.908 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.954 4.267 0.654 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.091 1.741 2.143 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.240 3.132 3.199 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.903 2.652 0.687 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.447 2.355 2.327 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.433 4.670 2.883 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.423 5.087 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.742 5.712 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.242 4.576 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.221 4.089 1.320 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.327 2.137 -1.090 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.267 1.302 -1.820 1.00 0.00 C ATOM 1760 C ASP B 94 -10.569 0.258 -2.672 1.00 0.00 C ATOM 1761 O ASP B 94 -10.876 -0.923 -2.580 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.157 2.190 -2.691 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.431 2.603 -1.980 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.427 1.858 -2.064 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.433 3.663 -1.317 1.00 0.00 O ATOM 0 H ASP B 94 -10.467 3.136 -1.241 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.874 0.762 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.602 3.081 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.411 1.658 -3.608 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.621 0.693 -3.481 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.886 -0.211 -4.355 1.00 0.00 C ATOM 1772 C LEU B 95 -8.113 -1.242 -3.542 1.00 0.00 C ATOM 1773 O LEU B 95 -8.103 -2.411 -3.890 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.938 0.579 -5.260 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.449 -0.163 -6.503 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.613 -0.493 -7.423 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.405 0.663 -7.238 1.00 0.00 C ATOM 0 H LEU B 95 -9.339 1.671 -3.553 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.604 -0.742 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.442 1.492 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.071 0.881 -4.673 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.989 -1.099 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.244 -1.021 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.327 -1.124 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.104 0.429 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.067 0.120 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.842 1.614 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.557 0.847 -6.579 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.473 -0.819 -2.460 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.735 -1.752 -1.610 1.00 0.00 C ATOM 1791 C LEU B 96 -7.717 -2.669 -0.896 1.00 0.00 C ATOM 1792 O LEU B 96 -7.485 -3.858 -0.778 1.00 0.00 O ATOM 1793 CB LEU B 96 -5.891 -1.003 -0.577 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.573 -0.430 -1.092 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.083 0.671 -0.169 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.531 -1.525 -1.204 1.00 0.00 C ATOM 0 H LEU B 96 -7.448 0.152 -2.150 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.066 -2.339 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.487 -0.186 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.674 -1.681 0.249 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.740 -0.007 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.142 1.071 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.826 1.468 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.929 0.266 0.831 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.597 -1.102 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.365 -1.971 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.881 -2.290 -1.897 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.820 -2.103 -0.433 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.859 -2.865 0.252 1.00 0.00 C ATOM 1810 C GLN B 97 -10.468 -3.870 -0.724 1.00 0.00 C ATOM 1811 O GLN B 97 -11.039 -4.888 -0.341 1.00 0.00 O ATOM 1812 CB GLN B 97 -10.932 -1.906 0.779 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.944 -2.545 1.712 1.00 0.00 C ATOM 1814 CD GLN B 97 -11.355 -2.913 3.062 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -10.173 -3.237 3.178 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -12.179 -2.855 4.097 1.00 0.00 N ATOM 0 H GLN B 97 -9.023 -1.107 -0.519 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.432 -3.406 1.096 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.442 -1.085 1.302 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.462 -1.472 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -12.778 -1.859 1.860 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.349 -3.441 1.242 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.152 -2.582 3.959 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -11.841 -3.083 5.032 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.331 -3.544 -1.994 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.810 -4.366 -3.085 1.00 0.00 C ATOM 1827 C GLN B 98 -9.786 -5.440 -3.424 1.00 0.00 C ATOM 1828 O GLN B 98 -10.086 -6.631 -3.509 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.003 -3.469 -4.318 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.373 -2.829 -4.435 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.510 -3.804 -4.246 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.416 -4.981 -4.609 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.593 -3.314 -3.669 1.00 0.00 N ATOM 0 H GLN B 98 -9.875 -2.685 -2.301 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.747 -4.842 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.251 -2.681 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.818 -4.062 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.459 -2.035 -3.694 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.465 -2.361 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.622 -2.334 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.400 -3.916 -3.506 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.575 -4.969 -3.604 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.431 -5.764 -4.004 1.00 0.00 C ATOM 1844 C LEU B 99 -6.837 -6.648 -2.903 1.00 0.00 C ATOM 1845 O LEU B 99 -6.651 -7.843 -3.110 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.380 -4.781 -4.514 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.543 -4.390 -5.985 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.771 -3.119 -6.292 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.098 -5.522 -6.895 1.00 0.00 C ATOM 0 H LEU B 99 -8.347 -3.984 -3.471 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.761 -6.472 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.418 -3.878 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.392 -5.219 -4.374 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.600 -4.200 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.901 -2.859 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.145 -2.307 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.713 -3.277 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.222 -5.223 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.049 -5.750 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.703 -6.407 -6.697 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.577 -6.069 -1.741 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.929 -6.783 -0.636 1.00 0.00 C ATOM 1863 C LEU B 100 -6.569 -8.133 -0.290 1.00 0.00 C ATOM 1864 O LEU B 100 -5.885 -9.151 -0.353 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.814 -5.891 0.599 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.800 -4.767 0.425 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.668 -3.921 1.675 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.457 -5.336 0.045 1.00 0.00 C ATOM 0 H LEU B 100 -6.805 -5.097 -1.531 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.929 -7.026 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.790 -5.461 0.823 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.530 -6.501 1.456 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.163 -4.120 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -3.935 -3.133 1.505 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.633 -3.474 1.915 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.342 -4.547 2.505 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.739 -4.525 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.112 -6.010 0.829 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.547 -5.885 -0.892 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.871 -8.189 0.066 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.535 -9.459 0.424 1.00 0.00 C ATOM 1882 C PRO B 101 -8.413 -10.536 -0.657 1.00 0.00 C ATOM 1883 O PRO B 101 -8.570 -11.723 -0.380 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.999 -9.057 0.610 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.951 -7.611 0.950 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.800 -7.046 0.168 1.00 0.00 C ATOM 0 HA PRO B 101 -8.078 -9.906 1.307 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.576 -9.232 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.471 -9.635 1.404 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.885 -7.116 0.685 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.806 -7.465 2.020 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.115 -6.693 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.342 -6.199 0.679 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.139 -10.115 -1.886 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.003 -11.048 -2.998 1.00 0.00 C ATOM 1896 C LYS B 102 -6.568 -11.568 -3.131 1.00 0.00 C ATOM 1897 O LYS B 102 -6.300 -12.452 -3.941 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.445 -10.386 -4.307 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.952 -10.206 -4.418 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.383 -9.955 -5.856 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.338 -8.477 -6.214 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.407 -7.703 -5.521 1.00 0.00 N ATOM 0 H LYS B 102 -8.007 -9.135 -2.138 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.649 -11.901 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.964 -9.412 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.096 -10.989 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.454 -11.095 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.266 -9.370 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.734 -10.512 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -11.395 -10.333 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.363 -8.069 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.447 -8.361 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.568 -6.807 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.287 -8.258 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.113 -7.504 -4.543 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.648 -11.016 -2.344 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.251 -11.438 -2.403 1.00 0.00 C ATOM 1918 C PHE B 103 -3.757 -11.965 -1.056 1.00 0.00 C ATOM 1919 O PHE B 103 -2.959 -12.899 -1.008 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.354 -10.280 -2.854 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.486 -9.936 -4.312 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -2.736 -10.605 -5.265 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.353 -8.941 -4.727 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -2.850 -10.286 -6.605 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.473 -8.619 -6.064 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.721 -9.293 -7.005 1.00 0.00 C ATOM 0 H PHE B 103 -5.842 -10.282 -1.663 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.195 -12.248 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.591 -9.397 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.315 -10.535 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.055 -11.385 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.944 -8.409 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.258 -10.813 -7.338 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -5.155 -7.840 -6.373 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.814 -9.044 -8.052 1.00 0.00 H new