USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 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 13 LYS NZ :NH3+ -151:sc= 1.19 (180deg=-1.62!) USER MOD Set 1.2: B 81 ASN : amide:sc= -1.61! C(o=2!,f=-8.4!) USER MOD Set 1.3: B 83 SER OG : rot -86:sc= 1.28 USER MOD Set 1.4: B 84 THR OG1 : rot 34:sc= 1.18 USER MOD Set 2.1: B 64 GLN : amide:sc= -2.53! X(o=-3.4!,f=-3.1) USER MOD Set 2.2: B 78 HIS : no HE2:sc= -0.871 X(o=-3.4,f=-3.3) USER MOD Set 3.1: B 54 LYS NZ :NH3+ -177:sc= -1.41 (180deg=-1.76) USER MOD Set 3.2: B 66 GLN : amide:sc= -1.46 K(o=-7.4,f=-15!) USER MOD Set 3.3: B 76 ASN : amide:sc= -4.51! C(o=-7.4!,f=-9!) USER MOD Set 4.1: B 53 GLN : amide:sc= -1.25 K(o=-0.74,f=-5.7!) USER MOD Set 4.2: B 97 GLN : amide:sc= 0.515 K(o=-0.74,f=-5.7) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.8!) USER MOD Set 5.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 404 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 159:sc= 0.995 (180deg=-0.666!) USER MOD Single : B 17 GLN : amide:sc= -1.2 K(o=-1.2,f=-7.9!) USER MOD Single : B 18 LYS NZ :NH3+ 144:sc= 0.0353 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.609 K(o=0.61,f=-0.025) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -150:sc= -1.58! (180deg=-4.12!) USER MOD Single : B 42 THR OG1 : rot 90:sc= -1.36! USER MOD Single : B 44 SER OG : rot 90:sc= -0.135 USER MOD Single : B 46 MET CE :methyl 139:sc= -1.98 (180deg=-4.16!) USER MOD Single : B 47 TYR OH : rot -40:sc= 1.18 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -7.21! USER MOD Single : B 56 SER OG : rot 160:sc= -0.905 USER MOD Single : B 60 LYS NZ :NH3+ 164:sc= 2.81 (180deg=1.54) USER MOD Single : B 62 LYS NZ :NH3+ -103:sc= 1.34 (180deg=-0.567) USER MOD Single : B 70 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-9!) USER MOD Single : B 74 THR OG1 : rot 39:sc= 0.0197 USER MOD Single : B 80 SER OG : rot 180:sc= 0.0331 USER MOD Single : B 87 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.19) USER MOD Single : B 93 LYS NZ :NH3+ -154:sc= 2.4 (180deg=2.06) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 102 LYS NZ :NH3+ -154:sc= 1.9 (180deg=1.42) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.686 12.886 11.799 1.00 0.00 N ATOM 102 CA GLU A 399 0.513 12.807 12.665 1.00 0.00 C ATOM 103 C GLU A 399 -0.436 11.719 12.208 1.00 0.00 C ATOM 104 O GLU A 399 -1.274 11.939 11.340 1.00 0.00 O ATOM 105 CB GLU A 399 -0.197 14.152 12.656 1.00 0.00 C ATOM 106 CG GLU A 399 -1.278 14.288 13.703 1.00 0.00 C ATOM 107 CD GLU A 399 -2.033 15.594 13.570 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.233 15.625 13.910 1.00 0.00 O ATOM 109 OE2 GLU A 399 -1.434 16.582 13.088 1.00 0.00 O ATOM 0 HA GLU A 399 0.839 12.560 13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.540 14.941 12.806 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.638 14.311 11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.975 13.455 13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.832 14.226 14.696 1.00 0.00 H new ATOM 116 N ASP A 400 -0.320 10.553 12.802 1.00 0.00 N ATOM 117 CA ASP A 400 -1.161 9.436 12.427 1.00 0.00 C ATOM 118 C ASP A 400 -1.682 8.683 13.649 1.00 0.00 C ATOM 119 O ASP A 400 -1.033 7.788 14.181 1.00 0.00 O ATOM 120 CB ASP A 400 -0.383 8.511 11.499 1.00 0.00 C ATOM 121 CG ASP A 400 0.897 7.964 12.104 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.031 6.725 12.160 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.774 8.767 12.492 1.00 0.00 O ATOM 0 H ASP A 400 0.348 10.352 13.546 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.036 9.819 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -1.024 7.676 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.139 9.052 10.585 1.00 0.00 H new ATOM 128 N ASP A 401 -2.863 9.067 14.096 1.00 0.00 N ATOM 129 CA ASP A 401 -3.476 8.442 15.270 1.00 0.00 C ATOM 130 C ASP A 401 -4.976 8.211 15.106 1.00 0.00 C ATOM 131 O ASP A 401 -5.473 7.134 15.430 1.00 0.00 O ATOM 132 CB ASP A 401 -3.199 9.280 16.527 1.00 0.00 C ATOM 133 CG ASP A 401 -3.821 10.670 16.471 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.171 11.205 17.538 1.00 0.00 O ATOM 135 OD2 ASP A 401 -3.962 11.228 15.355 1.00 0.00 O ATOM 0 H ASP A 401 -3.422 9.806 13.670 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.017 7.459 15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.583 8.752 17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.122 9.376 16.661 1.00 0.00 H new ATOM 140 N ASP A 402 -5.699 9.206 14.592 1.00 0.00 N ATOM 141 CA ASP A 402 -7.146 9.087 14.384 1.00 0.00 C ATOM 142 C ASP A 402 -7.430 8.196 13.186 1.00 0.00 C ATOM 143 O ASP A 402 -8.553 8.126 12.682 1.00 0.00 O ATOM 144 CB ASP A 402 -7.796 10.461 14.179 1.00 0.00 C ATOM 145 CG ASP A 402 -7.110 11.303 13.118 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.159 12.543 13.234 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.500 10.735 12.182 1.00 0.00 O ATOM 0 H ASP A 402 -5.308 10.105 14.311 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.577 8.639 15.279 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.841 10.322 13.902 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.786 11.003 15.124 1.00 0.00 H new ATOM 152 N PHE A 403 -6.384 7.515 12.758 1.00 0.00 N ATOM 153 CA PHE A 403 -6.420 6.615 11.651 1.00 0.00 C ATOM 154 C PHE A 403 -7.497 5.559 11.852 1.00 0.00 C ATOM 155 O PHE A 403 -7.470 4.804 12.823 1.00 0.00 O ATOM 156 CB PHE A 403 -5.059 5.973 11.552 1.00 0.00 C ATOM 157 CG PHE A 403 -4.282 6.373 10.357 1.00 0.00 C ATOM 158 CD1 PHE A 403 -3.004 6.858 10.486 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.821 6.228 9.103 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.269 7.188 9.374 1.00 0.00 C ATOM 161 CE2 PHE A 403 -4.100 6.563 7.989 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.819 7.040 8.125 1.00 0.00 C ATOM 0 H PHE A 403 -5.464 7.584 13.193 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.660 7.149 10.732 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.486 6.224 12.444 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.181 4.890 11.546 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.574 6.981 11.469 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.825 5.845 8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.262 7.563 9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.536 6.453 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.244 7.299 7.248 1.00 0.00 H new ATOM 172 N ASN A 404 -8.424 5.501 10.922 1.00 0.00 N ATOM 173 CA ASN A 404 -9.531 4.565 11.005 1.00 0.00 C ATOM 174 C ASN A 404 -9.244 3.332 10.174 1.00 0.00 C ATOM 175 O ASN A 404 -8.792 3.433 9.034 1.00 0.00 O ATOM 176 CB ASN A 404 -10.828 5.230 10.541 1.00 0.00 C ATOM 177 CG ASN A 404 -11.653 5.757 11.700 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.624 5.132 12.120 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.264 6.904 12.237 1.00 0.00 N ATOM 0 H ASN A 404 -8.436 6.094 10.092 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.650 4.262 12.045 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.591 6.051 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.420 4.511 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.776 7.297 13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.452 7.394 11.861 1.00 0.00 H new ATOM 361 N VAL B 8 -0.538 0.580 -14.076 1.00 0.00 N ATOM 362 CA VAL B 8 -1.010 1.430 -12.997 1.00 0.00 C ATOM 363 C VAL B 8 -2.513 1.642 -13.111 1.00 0.00 C ATOM 364 O VAL B 8 -2.999 2.197 -14.097 1.00 0.00 O ATOM 365 CB VAL B 8 -0.291 2.791 -12.989 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.007 3.771 -12.073 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.155 2.616 -12.555 1.00 0.00 C ATOM 0 HA VAL B 8 -0.784 0.924 -12.058 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.306 3.197 -14.000 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.483 4.727 -12.082 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.029 3.915 -12.422 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.023 3.375 -11.058 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.654 3.585 -12.553 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.185 2.190 -11.552 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.665 1.947 -13.248 1.00 0.00 H new ATOM 377 N LEU B 9 -3.237 1.189 -12.103 1.00 0.00 N ATOM 378 CA LEU B 9 -4.682 1.327 -12.076 1.00 0.00 C ATOM 379 C LEU B 9 -5.084 2.665 -11.470 1.00 0.00 C ATOM 380 O LEU B 9 -6.102 3.247 -11.841 1.00 0.00 O ATOM 381 CB LEU B 9 -5.317 0.193 -11.262 1.00 0.00 C ATOM 382 CG LEU B 9 -5.050 -1.225 -11.771 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.762 -2.244 -10.894 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.493 -1.366 -13.219 1.00 0.00 C ATOM 0 H LEU B 9 -2.844 0.719 -11.287 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.040 1.277 -13.104 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.958 0.263 -10.235 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.395 0.351 -11.234 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.978 -1.414 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.563 -3.248 -11.268 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.399 -2.160 -9.870 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.835 -2.055 -10.915 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.295 -2.381 -13.563 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.560 -1.159 -13.295 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.942 -0.659 -13.839 1.00 0.00 H new ATOM 396 N LEU B 10 -4.282 3.153 -10.533 1.00 0.00 N ATOM 397 CA LEU B 10 -4.583 4.410 -9.865 1.00 0.00 C ATOM 398 C LEU B 10 -3.347 5.276 -9.672 1.00 0.00 C ATOM 399 O LEU B 10 -2.300 4.789 -9.248 1.00 0.00 O ATOM 400 CB LEU B 10 -5.195 4.115 -8.504 1.00 0.00 C ATOM 401 CG LEU B 10 -5.693 5.343 -7.736 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.143 5.647 -8.052 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.517 5.145 -6.247 1.00 0.00 C ATOM 0 H LEU B 10 -3.423 2.700 -10.220 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.278 4.961 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.030 3.427 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.454 3.600 -7.893 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.093 6.195 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.462 6.524 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.250 5.842 -9.119 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.762 4.794 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.876 6.028 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.086 4.273 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.461 4.992 -6.023 1.00 0.00 H new ATOM 415 N ILE B 11 -3.480 6.561 -9.981 1.00 0.00 N ATOM 416 CA ILE B 11 -2.390 7.507 -9.800 1.00 0.00 C ATOM 417 C ILE B 11 -2.800 8.564 -8.793 1.00 0.00 C ATOM 418 O ILE B 11 -3.820 9.232 -8.959 1.00 0.00 O ATOM 419 CB ILE B 11 -1.977 8.226 -11.098 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.600 7.222 -12.185 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.811 9.168 -10.805 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.427 7.850 -13.551 1.00 0.00 C ATOM 0 H ILE B 11 -4.335 6.970 -10.359 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.536 6.924 -9.456 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.824 8.805 -11.466 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.673 6.724 -11.903 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.371 6.453 -12.242 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.516 9.678 -11.722 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.116 9.905 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.033 8.594 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.160 7.080 -14.274 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.360 8.324 -13.854 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.636 8.599 -13.510 1.00 0.00 H new ATOM 434 N VAL B 12 -2.005 8.706 -7.757 1.00 0.00 N ATOM 435 CA VAL B 12 -2.265 9.679 -6.719 1.00 0.00 C ATOM 436 C VAL B 12 -1.157 10.717 -6.703 1.00 0.00 C ATOM 437 O VAL B 12 -0.015 10.422 -7.048 1.00 0.00 O ATOM 438 CB VAL B 12 -2.365 9.010 -5.342 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.979 9.954 -4.331 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.175 7.730 -5.432 1.00 0.00 C ATOM 0 H VAL B 12 -1.161 8.152 -7.610 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.219 10.160 -6.934 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.357 8.761 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.040 9.459 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.360 10.847 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.980 10.237 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.236 7.268 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.179 7.959 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.692 7.042 -6.126 1.00 0.00 H new ATOM 450 N LYS B 13 -1.498 11.925 -6.307 1.00 0.00 N ATOM 451 CA LYS B 13 -0.538 13.016 -6.267 1.00 0.00 C ATOM 452 C LYS B 13 -0.242 13.408 -4.833 1.00 0.00 C ATOM 453 O LYS B 13 -0.856 12.871 -3.918 1.00 0.00 O ATOM 454 CB LYS B 13 -1.063 14.233 -7.037 1.00 0.00 C ATOM 455 CG LYS B 13 -1.049 14.069 -8.551 1.00 0.00 C ATOM 456 CD LYS B 13 -2.103 13.079 -9.031 1.00 0.00 C ATOM 457 CE LYS B 13 -3.471 13.723 -9.183 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.132 13.999 -7.873 1.00 0.00 N ATOM 0 H LYS B 13 -2.438 12.181 -6.006 1.00 0.00 H new ATOM 0 HA LYS B 13 0.381 12.672 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.084 14.440 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.463 15.103 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.221 15.037 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.063 13.731 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.794 12.658 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.170 12.251 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.368 14.657 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.111 13.070 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.165 13.960 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.835 13.285 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.857 14.944 -7.538 1.00 0.00 H new ATOM 472 N LYS B 14 0.645 14.398 -4.684 1.00 0.00 N ATOM 473 CA LYS B 14 1.097 14.927 -3.378 1.00 0.00 C ATOM 474 C LYS B 14 0.830 13.990 -2.205 1.00 0.00 C ATOM 475 O LYS B 14 -0.027 14.251 -1.360 1.00 0.00 O ATOM 476 CB LYS B 14 0.436 16.279 -3.086 1.00 0.00 C ATOM 477 CG LYS B 14 1.225 17.485 -3.559 1.00 0.00 C ATOM 478 CD LYS B 14 1.491 17.456 -5.051 1.00 0.00 C ATOM 479 CE LYS B 14 2.782 18.184 -5.384 1.00 0.00 C ATOM 480 NZ LYS B 14 3.975 17.438 -4.903 1.00 0.00 N ATOM 0 H LYS B 14 1.081 14.867 -5.478 1.00 0.00 H new ATOM 0 HA LYS B 14 2.178 15.034 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.547 16.297 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.276 16.365 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS B 14 0.678 18.394 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.174 17.526 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.552 16.423 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.660 17.920 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS B 14 2.852 18.326 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.767 19.176 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.815 17.749 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.115 17.624 -3.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.830 16.419 -5.051 1.00 0.00 H new ATOM 494 N VAL B 15 1.574 12.902 -2.172 1.00 0.00 N ATOM 495 CA VAL B 15 1.464 11.924 -1.111 1.00 0.00 C ATOM 496 C VAL B 15 2.822 11.742 -0.459 1.00 0.00 C ATOM 497 O VAL B 15 3.785 11.384 -1.127 1.00 0.00 O ATOM 498 CB VAL B 15 0.953 10.557 -1.624 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.212 9.461 -0.603 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.527 10.625 -1.948 1.00 0.00 C ATOM 0 H VAL B 15 2.271 12.672 -2.880 1.00 0.00 H new ATOM 0 HA VAL B 15 0.736 12.296 -0.390 1.00 0.00 H new ATOM 0 HB VAL B 15 1.501 10.318 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.843 8.510 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.283 9.385 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.696 9.700 0.327 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.866 9.653 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -1.084 10.895 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.696 11.376 -2.720 1.00 0.00 H new ATOM 510 N ARG B 16 2.906 12.010 0.829 1.00 0.00 N ATOM 511 CA ARG B 16 4.159 11.857 1.539 1.00 0.00 C ATOM 512 C ARG B 16 4.250 10.469 2.149 1.00 0.00 C ATOM 513 O ARG B 16 3.252 9.917 2.606 1.00 0.00 O ATOM 514 CB ARG B 16 4.309 12.895 2.649 1.00 0.00 C ATOM 515 CG ARG B 16 3.864 14.299 2.276 1.00 0.00 C ATOM 516 CD ARG B 16 4.012 15.246 3.459 1.00 0.00 C ATOM 517 NE ARG B 16 4.025 14.526 4.737 1.00 0.00 N ATOM 518 CZ ARG B 16 4.094 15.109 5.933 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.145 16.429 6.047 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.097 14.365 7.025 1.00 0.00 N ATOM 0 H ARG B 16 2.126 12.333 1.402 1.00 0.00 H new ATOM 0 HA ARG B 16 4.961 12.003 0.815 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.735 12.565 3.515 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.355 12.930 2.955 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.458 14.662 1.437 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.825 14.281 1.947 1.00 0.00 H new ATOM 0 HD2 ARG B 16 4.935 15.817 3.354 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.191 15.963 3.455 1.00 0.00 H new ATOM 0 HE ARG B 16 3.978 13.508 4.708 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.132 17.014 5.211 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.198 16.860 6.970 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.047 13.349 6.950 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.150 14.807 7.943 1.00 0.00 H new ATOM 534 N GLN B 17 5.439 9.906 2.129 1.00 0.00 N ATOM 535 CA GLN B 17 5.672 8.600 2.713 1.00 0.00 C ATOM 536 C GLN B 17 7.003 8.609 3.443 1.00 0.00 C ATOM 537 O GLN B 17 8.057 8.607 2.813 1.00 0.00 O ATOM 538 CB GLN B 17 5.662 7.502 1.648 1.00 0.00 C ATOM 539 CG GLN B 17 5.094 6.177 2.136 1.00 0.00 C ATOM 540 CD GLN B 17 5.737 5.685 3.421 1.00 0.00 C ATOM 541 OE1 GLN B 17 6.752 4.993 3.399 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.143 6.033 4.550 1.00 0.00 N ATOM 0 H GLN B 17 6.265 10.335 1.712 1.00 0.00 H new ATOM 0 HA GLN B 17 4.866 8.385 3.415 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.079 7.844 0.793 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.681 7.342 1.295 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.021 6.285 2.293 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.228 5.424 1.359 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.301 6.609 4.527 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.526 5.726 5.444 1.00 0.00 H new ATOM 551 N LYS B 18 6.933 8.646 4.765 1.00 0.00 N ATOM 552 CA LYS B 18 8.114 8.663 5.618 1.00 0.00 C ATOM 553 C LYS B 18 8.822 10.016 5.539 1.00 0.00 C ATOM 554 O LYS B 18 10.030 10.087 5.301 1.00 0.00 O ATOM 555 CB LYS B 18 9.080 7.517 5.271 1.00 0.00 C ATOM 556 CG LYS B 18 9.209 6.465 6.367 1.00 0.00 C ATOM 557 CD LYS B 18 8.165 5.363 6.226 1.00 0.00 C ATOM 558 CE LYS B 18 8.114 4.483 7.468 1.00 0.00 C ATOM 559 NZ LYS B 18 7.123 3.371 7.339 1.00 0.00 N ATOM 0 H LYS B 18 6.052 8.665 5.279 1.00 0.00 H new ATOM 0 HA LYS B 18 7.780 8.510 6.644 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.741 7.034 4.355 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.065 7.935 5.065 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.206 6.026 6.333 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.104 6.942 7.342 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.185 5.808 6.053 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.395 4.751 5.354 1.00 0.00 H new ATOM 0 HE2 LYS B 18 9.103 4.065 7.654 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.859 5.095 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 7.490 2.522 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.225 3.653 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.963 3.163 6.333 1.00 0.00 H new ATOM 573 N LYS B 19 8.033 11.085 5.697 1.00 0.00 N ATOM 574 CA LYS B 19 8.539 12.466 5.712 1.00 0.00 C ATOM 575 C LYS B 19 9.023 12.960 4.341 1.00 0.00 C ATOM 576 O LYS B 19 9.877 13.843 4.271 1.00 0.00 O ATOM 577 CB LYS B 19 9.672 12.606 6.741 1.00 0.00 C ATOM 578 CG LYS B 19 9.321 13.450 7.961 1.00 0.00 C ATOM 579 CD LYS B 19 8.354 12.736 8.895 1.00 0.00 C ATOM 580 CE LYS B 19 8.461 13.262 10.313 1.00 0.00 C ATOM 581 NZ LYS B 19 7.235 13.037 11.113 1.00 0.00 N ATOM 0 H LYS B 19 7.022 11.018 5.819 1.00 0.00 H new ATOM 0 HA LYS B 19 7.693 13.094 5.991 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.966 11.611 7.076 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.540 13.046 6.249 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.233 13.697 8.505 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.880 14.392 7.635 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.334 12.866 8.533 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.561 11.666 8.886 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.304 12.781 10.809 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.676 14.330 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.371 13.418 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.432 13.518 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.040 12.017 11.171 1.00 0.00 H new ATOM 595 N GLN B 20 8.473 12.427 3.255 1.00 0.00 N ATOM 596 CA GLN B 20 8.881 12.865 1.917 1.00 0.00 C ATOM 597 C GLN B 20 7.698 12.826 0.954 1.00 0.00 C ATOM 598 O GLN B 20 6.970 11.842 0.902 1.00 0.00 O ATOM 599 CB GLN B 20 10.047 12.017 1.392 1.00 0.00 C ATOM 600 CG GLN B 20 9.777 10.525 1.391 1.00 0.00 C ATOM 601 CD GLN B 20 11.042 9.704 1.528 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.673 9.342 0.537 1.00 0.00 O ATOM 603 NE2 GLN B 20 11.419 9.400 2.761 1.00 0.00 N ATOM 0 H GLN B 20 7.755 11.703 3.269 1.00 0.00 H new ATOM 0 HA GLN B 20 9.226 13.896 1.988 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.283 12.333 0.376 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.929 12.215 2.001 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.100 10.282 2.210 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.270 10.252 0.466 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.867 9.720 3.557 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.261 8.846 2.915 1.00 0.00 H new ATOM 612 N ASP B 21 7.518 13.909 0.199 1.00 0.00 N ATOM 613 CA ASP B 21 6.402 14.026 -0.746 1.00 0.00 C ATOM 614 C ASP B 21 6.678 13.282 -2.051 1.00 0.00 C ATOM 615 O ASP B 21 7.831 13.106 -2.449 1.00 0.00 O ATOM 616 CB ASP B 21 6.120 15.504 -1.046 1.00 0.00 C ATOM 617 CG ASP B 21 4.795 15.717 -1.757 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.668 16.716 -2.501 1.00 0.00 O ATOM 619 OD2 ASP B 21 3.881 14.891 -1.574 1.00 0.00 O ATOM 0 H ASP B 21 8.132 14.723 0.222 1.00 0.00 H new ATOM 0 HA ASP B 21 5.529 13.569 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.121 16.066 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.926 15.906 -1.661 1.00 0.00 H new ATOM 624 N GLY B 22 5.610 12.856 -2.711 1.00 0.00 N ATOM 625 CA GLY B 22 5.731 12.141 -3.965 1.00 0.00 C ATOM 626 C GLY B 22 4.381 11.794 -4.560 1.00 0.00 C ATOM 627 O GLY B 22 3.360 12.354 -4.167 1.00 0.00 O ATOM 0 H GLY B 22 4.650 12.996 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.293 12.748 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.302 11.226 -3.806 1.00 0.00 H new ATOM 631 N ALA B 23 4.371 10.854 -5.494 1.00 0.00 N ATOM 632 CA ALA B 23 3.139 10.433 -6.139 1.00 0.00 C ATOM 633 C ALA B 23 2.970 8.928 -5.998 1.00 0.00 C ATOM 634 O ALA B 23 3.927 8.163 -6.147 1.00 0.00 O ATOM 635 CB ALA B 23 3.110 10.856 -7.603 1.00 0.00 C ATOM 0 H ALA B 23 5.206 10.368 -5.822 1.00 0.00 H new ATOM 0 HA ALA B 23 2.302 10.925 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.176 10.527 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.183 11.941 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA B 23 3.950 10.403 -8.129 1.00 0.00 H new ATOM 641 N LEU B 24 1.754 8.517 -5.698 1.00 0.00 N ATOM 642 CA LEU B 24 1.432 7.115 -5.491 1.00 0.00 C ATOM 643 C LEU B 24 0.827 6.494 -6.750 1.00 0.00 C ATOM 644 O LEU B 24 0.060 7.137 -7.459 1.00 0.00 O ATOM 645 CB LEU B 24 0.464 7.013 -4.316 1.00 0.00 C ATOM 646 CG LEU B 24 -0.016 5.607 -3.989 1.00 0.00 C ATOM 647 CD1 LEU B 24 0.903 4.929 -3.005 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.433 5.647 -3.448 1.00 0.00 C ATOM 0 H LEU B 24 0.958 9.146 -5.590 1.00 0.00 H new ATOM 0 HA LEU B 24 2.344 6.561 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU B 24 0.947 7.429 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.405 7.636 -4.528 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.006 5.026 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.532 3.926 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.905 4.863 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.937 5.507 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.764 4.634 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.459 6.252 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.095 6.084 -4.195 1.00 0.00 H new ATOM 660 N TYR B 25 1.189 5.250 -7.031 1.00 0.00 N ATOM 661 CA TYR B 25 0.684 4.538 -8.198 1.00 0.00 C ATOM 662 C TYR B 25 0.311 3.107 -7.819 1.00 0.00 C ATOM 663 O TYR B 25 1.177 2.300 -7.478 1.00 0.00 O ATOM 664 CB TYR B 25 1.730 4.501 -9.323 1.00 0.00 C ATOM 665 CG TYR B 25 2.349 5.839 -9.670 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.795 6.649 -10.652 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.499 6.284 -9.027 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.366 7.863 -10.982 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.074 7.497 -9.351 1.00 0.00 C ATOM 670 CZ TYR B 25 3.504 8.283 -10.328 1.00 0.00 C ATOM 671 OH TYR B 25 4.076 9.491 -10.655 1.00 0.00 O ATOM 0 H TYR B 25 1.838 4.708 -6.460 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.198 5.070 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.526 3.814 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.263 4.091 -10.219 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.903 6.325 -11.167 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.950 5.670 -8.261 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.922 8.480 -11.749 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.966 7.828 -8.841 1.00 0.00 H new ATOM 0 HH TYR B 25 4.871 9.638 -10.100 1.00 0.00 H new ATOM 681 N LEU B 26 -0.969 2.788 -7.882 1.00 0.00 N ATOM 682 CA LEU B 26 -1.425 1.451 -7.533 1.00 0.00 C ATOM 683 C LEU B 26 -1.434 0.558 -8.763 1.00 0.00 C ATOM 684 O LEU B 26 -1.953 0.939 -9.808 1.00 0.00 O ATOM 685 CB LEU B 26 -2.811 1.492 -6.891 1.00 0.00 C ATOM 686 CG LEU B 26 -2.960 2.501 -5.755 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.242 2.272 -4.986 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.792 2.441 -4.804 1.00 0.00 C ATOM 0 H LEU B 26 -1.708 3.430 -8.169 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.730 1.036 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.546 1.722 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.049 0.499 -6.510 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.989 3.489 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.321 3.005 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.093 2.377 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.237 1.268 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.932 3.173 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.726 1.443 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.872 2.664 -5.344 1.00 0.00 H new ATOM 700 N MET B 27 -0.849 -0.621 -8.625 1.00 0.00 N ATOM 701 CA MET B 27 -0.754 -1.588 -9.713 1.00 0.00 C ATOM 702 C MET B 27 -1.615 -2.804 -9.406 1.00 0.00 C ATOM 703 O MET B 27 -1.936 -3.058 -8.250 1.00 0.00 O ATOM 704 CB MET B 27 0.701 -2.009 -9.897 1.00 0.00 C ATOM 705 CG MET B 27 1.649 -0.826 -9.891 1.00 0.00 C ATOM 706 SD MET B 27 3.321 -1.250 -10.395 1.00 0.00 S ATOM 707 CE MET B 27 3.884 0.368 -10.905 1.00 0.00 C ATOM 0 H MET B 27 -0.424 -0.938 -7.753 1.00 0.00 H new ATOM 0 HA MET B 27 -1.113 -1.129 -10.634 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.980 -2.699 -9.101 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.804 -2.549 -10.838 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.261 -0.055 -10.557 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.677 -0.397 -8.889 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.915 0.302 -11.253 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.251 0.736 -11.713 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.830 1.055 -10.060 1.00 0.00 H new ATOM 717 N ALA B 28 -1.953 -3.552 -10.444 1.00 0.00 N ATOM 718 CA ALA B 28 -2.797 -4.743 -10.339 1.00 0.00 C ATOM 719 C ALA B 28 -2.440 -5.666 -9.167 1.00 0.00 C ATOM 720 O ALA B 28 -3.332 -6.194 -8.505 1.00 0.00 O ATOM 721 CB ALA B 28 -2.741 -5.521 -11.644 1.00 0.00 C ATOM 0 H ALA B 28 -1.648 -3.351 -11.396 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.807 -4.385 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.370 -6.408 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.101 -4.892 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.713 -5.821 -11.845 1.00 0.00 H new ATOM 727 N GLU B 29 -1.154 -5.867 -8.898 1.00 0.00 N ATOM 728 CA GLU B 29 -0.762 -6.757 -7.807 1.00 0.00 C ATOM 729 C GLU B 29 0.052 -6.057 -6.719 1.00 0.00 C ATOM 730 O GLU B 29 0.341 -6.658 -5.678 1.00 0.00 O ATOM 731 CB GLU B 29 0.039 -7.940 -8.354 1.00 0.00 C ATOM 732 CG GLU B 29 -0.724 -8.783 -9.361 1.00 0.00 C ATOM 733 CD GLU B 29 -0.192 -10.196 -9.454 1.00 0.00 C ATOM 734 OE1 GLU B 29 -0.916 -11.135 -9.066 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.958 -10.381 -9.899 1.00 0.00 O ATOM 0 H GLU B 29 -0.380 -5.438 -9.406 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.688 -7.102 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.949 -7.565 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.347 -8.574 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.777 -8.812 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.667 -8.311 -10.342 1.00 0.00 H new ATOM 742 N ARG B 30 0.388 -4.791 -6.907 1.00 0.00 N ATOM 743 CA ARG B 30 1.207 -4.105 -5.912 1.00 0.00 C ATOM 744 C ARG B 30 0.950 -2.610 -5.878 1.00 0.00 C ATOM 745 O ARG B 30 0.468 -2.027 -6.836 1.00 0.00 O ATOM 746 CB ARG B 30 2.695 -4.346 -6.193 1.00 0.00 C ATOM 747 CG ARG B 30 3.204 -3.613 -7.425 1.00 0.00 C ATOM 748 CD ARG B 30 4.723 -3.513 -7.445 1.00 0.00 C ATOM 749 NE ARG B 30 5.207 -2.926 -8.697 1.00 0.00 N ATOM 750 CZ ARG B 30 6.492 -2.841 -9.045 1.00 0.00 C ATOM 751 NH1 ARG B 30 7.444 -3.213 -8.196 1.00 0.00 N ATOM 752 NH2 ARG B 30 6.824 -2.375 -10.245 1.00 0.00 N ATOM 0 H ARG B 30 0.118 -4.228 -7.713 1.00 0.00 H new ATOM 0 HA ARG B 30 0.931 -4.518 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.276 -4.031 -5.326 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.865 -5.415 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.863 -4.131 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG B 30 2.775 -2.611 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.060 -2.907 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.156 -4.505 -7.316 1.00 0.00 H new ATOM 0 HE ARG B 30 4.514 -2.557 -9.348 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.194 -3.566 -7.272 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.425 -3.146 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.097 -2.083 -10.898 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.806 -2.309 -10.513 1.00 0.00 H new ATOM 766 N ILE B 31 1.295 -2.005 -4.762 1.00 0.00 N ATOM 767 CA ILE B 31 1.154 -0.574 -4.578 1.00 0.00 C ATOM 768 C ILE B 31 2.547 0.045 -4.604 1.00 0.00 C ATOM 769 O ILE B 31 3.416 -0.330 -3.812 1.00 0.00 O ATOM 770 CB ILE B 31 0.439 -0.237 -3.249 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.725 1.208 -2.834 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.851 -1.205 -2.148 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.135 1.687 -1.689 1.00 0.00 C ATOM 0 H ILE B 31 1.682 -2.492 -3.954 1.00 0.00 H new ATOM 0 HA ILE B 31 0.539 -0.167 -5.380 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.634 -0.343 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.774 1.296 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.570 1.862 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.334 -0.946 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.586 -2.221 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.928 -1.141 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.122 2.719 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.185 1.632 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.037 1.057 -0.816 1.00 0.00 H new ATOM 785 N ALA B 32 2.776 0.949 -5.536 1.00 0.00 N ATOM 786 CA ALA B 32 4.071 1.589 -5.655 1.00 0.00 C ATOM 787 C ALA B 32 3.944 3.091 -5.487 1.00 0.00 C ATOM 788 O ALA B 32 2.932 3.682 -5.842 1.00 0.00 O ATOM 789 CB ALA B 32 4.713 1.251 -6.993 1.00 0.00 C ATOM 0 H ALA B 32 2.084 1.256 -6.220 1.00 0.00 H new ATOM 0 HA ALA B 32 4.714 1.211 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.684 1.740 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.844 0.172 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.071 1.599 -7.803 1.00 0.00 H new ATOM 795 N TRP B 33 4.958 3.699 -4.916 1.00 0.00 N ATOM 796 CA TRP B 33 4.964 5.132 -4.708 1.00 0.00 C ATOM 797 C TRP B 33 6.388 5.654 -4.831 1.00 0.00 C ATOM 798 O TRP B 33 7.338 5.001 -4.388 1.00 0.00 O ATOM 799 CB TRP B 33 4.334 5.466 -3.344 1.00 0.00 C ATOM 800 CG TRP B 33 4.530 6.882 -2.888 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.637 7.898 -3.016 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.673 7.437 -2.218 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.149 9.050 -2.491 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.398 8.796 -1.993 1.00 0.00 C ATOM 805 CE3 TRP B 33 6.901 6.922 -1.795 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.304 9.644 -1.362 1.00 0.00 C ATOM 807 CZ3 TRP B 33 7.798 7.765 -1.169 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.495 9.113 -0.958 1.00 0.00 C ATOM 0 H TRP B 33 5.796 3.221 -4.584 1.00 0.00 H new ATOM 0 HA TRP B 33 4.362 5.627 -5.470 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.265 5.260 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.753 4.796 -2.593 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.661 7.807 -3.469 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.677 9.954 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.145 5.882 -1.955 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.073 10.686 -1.198 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.749 7.376 -0.837 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.217 9.747 -0.466 1.00 0.00 H new ATOM 819 N ALA B 34 6.539 6.808 -5.460 1.00 0.00 N ATOM 820 CA ALA B 34 7.848 7.405 -5.650 1.00 0.00 C ATOM 821 C ALA B 34 7.822 8.883 -5.303 1.00 0.00 C ATOM 822 O ALA B 34 6.845 9.574 -5.593 1.00 0.00 O ATOM 823 CB ALA B 34 8.311 7.215 -7.087 1.00 0.00 C ATOM 0 H ALA B 34 5.768 7.351 -5.848 1.00 0.00 H new ATOM 0 HA ALA B 34 8.550 6.906 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.294 7.668 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.369 6.150 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.601 7.691 -7.764 1.00 0.00 H new ATOM 829 N PRO B 35 8.888 9.384 -4.664 1.00 0.00 N ATOM 830 CA PRO B 35 8.990 10.792 -4.301 1.00 0.00 C ATOM 831 C PRO B 35 9.072 11.659 -5.547 1.00 0.00 C ATOM 832 O PRO B 35 9.713 11.276 -6.532 1.00 0.00 O ATOM 833 CB PRO B 35 10.294 10.889 -3.497 1.00 0.00 C ATOM 834 CG PRO B 35 10.693 9.483 -3.194 1.00 0.00 C ATOM 835 CD PRO B 35 10.075 8.623 -4.258 1.00 0.00 C ATOM 0 HA PRO B 35 8.125 11.137 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.068 11.400 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.146 11.459 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.778 9.380 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.345 9.186 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.757 8.466 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.809 7.638 -3.874 1.00 0.00 H new ATOM 843 N GLU B 36 8.424 12.810 -5.520 1.00 0.00 N ATOM 844 CA GLU B 36 8.446 13.699 -6.667 1.00 0.00 C ATOM 845 C GLU B 36 9.864 14.194 -6.901 1.00 0.00 C ATOM 846 O GLU B 36 10.452 14.871 -6.059 1.00 0.00 O ATOM 847 CB GLU B 36 7.469 14.857 -6.474 1.00 0.00 C ATOM 848 CG GLU B 36 6.207 14.701 -7.309 1.00 0.00 C ATOM 849 CD GLU B 36 5.158 15.738 -6.985 1.00 0.00 C ATOM 850 OE1 GLU B 36 4.050 15.358 -6.547 1.00 0.00 O ATOM 851 OE2 GLU B 36 5.437 16.942 -7.144 1.00 0.00 O ATOM 0 H GLU B 36 7.882 13.148 -4.725 1.00 0.00 H new ATOM 0 HA GLU B 36 8.123 13.152 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.197 14.927 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU B 36 7.962 15.792 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.465 14.770 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU B 36 5.790 13.707 -7.147 1.00 0.00 H new ATOM 858 N GLY B 37 10.413 13.820 -8.046 1.00 0.00 N ATOM 859 CA GLY B 37 11.771 14.189 -8.375 1.00 0.00 C ATOM 860 C GLY B 37 12.684 12.981 -8.335 1.00 0.00 C ATOM 861 O GLY B 37 13.901 13.092 -8.512 1.00 0.00 O ATOM 0 H GLY B 37 9.938 13.264 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY B 37 11.800 14.639 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.128 14.943 -7.673 1.00 0.00 H new ATOM 865 N LYS B 38 12.101 11.816 -8.084 1.00 0.00 N ATOM 866 CA LYS B 38 12.866 10.585 -8.031 1.00 0.00 C ATOM 867 C LYS B 38 12.605 9.720 -9.252 1.00 0.00 C ATOM 868 O LYS B 38 11.517 9.730 -9.823 1.00 0.00 O ATOM 869 CB LYS B 38 12.582 9.811 -6.748 1.00 0.00 C ATOM 870 CG LYS B 38 13.644 10.020 -5.679 1.00 0.00 C ATOM 871 CD LYS B 38 14.992 9.453 -6.107 1.00 0.00 C ATOM 872 CE LYS B 38 16.014 10.550 -6.392 1.00 0.00 C ATOM 873 NZ LYS B 38 16.055 10.935 -7.834 1.00 0.00 N ATOM 0 H LYS B 38 11.102 11.701 -7.915 1.00 0.00 H new ATOM 0 HA LYS B 38 13.922 10.857 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.613 10.116 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.512 8.748 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.746 11.085 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.326 9.543 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS B 38 15.374 8.798 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.860 8.841 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.776 11.428 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS B 38 17.002 10.210 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 17.014 11.254 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 15.801 10.114 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 15.379 11.706 -8.007 1.00 0.00 H new ATOM 887 N ASP B 39 13.631 8.986 -9.630 1.00 0.00 N ATOM 888 CA ASP B 39 13.609 8.108 -10.790 1.00 0.00 C ATOM 889 C ASP B 39 13.218 6.683 -10.415 1.00 0.00 C ATOM 890 O ASP B 39 12.740 5.918 -11.253 1.00 0.00 O ATOM 891 CB ASP B 39 15.009 8.103 -11.407 1.00 0.00 C ATOM 892 CG ASP B 39 16.092 8.003 -10.341 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.744 6.950 -10.248 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.267 8.984 -9.566 1.00 0.00 O ATOM 0 H ASP B 39 14.522 8.980 -9.133 1.00 0.00 H new ATOM 0 HA ASP B 39 12.865 8.477 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP B 39 15.100 7.265 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.154 9.013 -11.989 1.00 0.00 H new ATOM 899 N ARG B 40 13.405 6.331 -9.153 1.00 0.00 N ATOM 900 CA ARG B 40 13.092 4.990 -8.690 1.00 0.00 C ATOM 901 C ARG B 40 12.023 5.018 -7.605 1.00 0.00 C ATOM 902 O ARG B 40 12.094 5.819 -6.672 1.00 0.00 O ATOM 903 CB ARG B 40 14.358 4.314 -8.154 1.00 0.00 C ATOM 904 CG ARG B 40 14.188 2.831 -7.864 1.00 0.00 C ATOM 905 CD ARG B 40 14.781 2.449 -6.516 1.00 0.00 C ATOM 906 NE ARG B 40 13.746 2.070 -5.553 1.00 0.00 N ATOM 907 CZ ARG B 40 13.987 1.502 -4.371 1.00 0.00 C ATOM 908 NH1 ARG B 40 15.237 1.272 -3.982 1.00 0.00 N ATOM 909 NH2 ARG B 40 12.972 1.175 -3.579 1.00 0.00 N ATOM 0 H ARG B 40 13.771 6.954 -8.433 1.00 0.00 H new ATOM 0 HA ARG B 40 12.705 4.421 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG B 40 15.162 4.443 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.669 4.820 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG B 40 13.128 2.576 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.668 2.249 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG B 40 15.476 1.620 -6.647 1.00 0.00 H new ATOM 0 HD3 ARG B 40 15.355 3.287 -6.121 1.00 0.00 H new ATOM 0 HE ARG B 40 12.774 2.253 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG B 40 16.016 1.530 -4.588 1.00 0.00 H new ATOM 0 HH12 ARG B 40 15.418 0.837 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG B 40 12.014 1.359 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG B 40 13.151 0.740 -2.674 1.00 0.00 H new ATOM 923 N PHE B 41 11.033 4.141 -7.736 1.00 0.00 N ATOM 924 CA PHE B 41 9.957 4.044 -6.759 1.00 0.00 C ATOM 925 C PHE B 41 10.507 3.493 -5.450 1.00 0.00 C ATOM 926 O PHE B 41 11.057 2.391 -5.421 1.00 0.00 O ATOM 927 CB PHE B 41 8.841 3.121 -7.264 1.00 0.00 C ATOM 928 CG PHE B 41 8.219 3.549 -8.566 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.043 4.281 -8.577 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.804 3.209 -9.775 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.466 4.669 -9.771 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.232 3.596 -10.971 1.00 0.00 C ATOM 933 CZ PHE B 41 7.060 4.325 -10.969 1.00 0.00 C ATOM 0 H PHE B 41 10.955 3.485 -8.513 1.00 0.00 H new ATOM 0 HA PHE B 41 9.544 5.040 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.244 2.115 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.061 3.065 -6.504 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.573 4.551 -7.643 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.718 2.634 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.550 5.241 -9.767 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.701 3.329 -11.906 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.608 4.626 -11.903 1.00 0.00 H new ATOM 943 N THR B 42 10.368 4.252 -4.380 1.00 0.00 N ATOM 944 CA THR B 42 10.860 3.825 -3.083 1.00 0.00 C ATOM 945 C THR B 42 9.889 2.849 -2.436 1.00 0.00 C ATOM 946 O THR B 42 10.295 1.859 -1.830 1.00 0.00 O ATOM 947 CB THR B 42 11.073 5.032 -2.155 1.00 0.00 C ATOM 948 OG1 THR B 42 10.138 6.062 -2.491 1.00 0.00 O ATOM 949 CG2 THR B 42 12.492 5.566 -2.278 1.00 0.00 C ATOM 0 H THR B 42 9.918 5.168 -4.383 1.00 0.00 H new ATOM 0 HA THR B 42 11.817 3.326 -3.237 1.00 0.00 H new ATOM 0 HB THR B 42 10.915 4.712 -1.125 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.320 5.945 -1.965 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.619 6.420 -1.612 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.200 4.784 -2.004 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.676 5.878 -3.306 1.00 0.00 H new ATOM 957 N ILE B 43 8.605 3.127 -2.599 1.00 0.00 N ATOM 958 CA ILE B 43 7.562 2.294 -2.033 1.00 0.00 C ATOM 959 C ILE B 43 7.099 1.247 -3.034 1.00 0.00 C ATOM 960 O ILE B 43 6.644 1.579 -4.127 1.00 0.00 O ATOM 961 CB ILE B 43 6.352 3.144 -1.591 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.713 3.986 -0.368 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.139 2.271 -1.300 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.300 3.181 0.767 1.00 0.00 C ATOM 0 H ILE B 43 8.261 3.931 -3.124 1.00 0.00 H new ATOM 0 HA ILE B 43 7.984 1.794 -1.161 1.00 0.00 H new ATOM 0 HB ILE B 43 6.092 3.812 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.426 4.755 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.819 4.500 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.304 2.900 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.864 1.718 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.379 1.569 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.532 3.843 1.601 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.580 2.429 1.090 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.212 2.689 0.430 1.00 0.00 H new ATOM 976 N SER B 44 7.264 -0.011 -2.671 1.00 0.00 N ATOM 977 CA SER B 44 6.834 -1.106 -3.504 1.00 0.00 C ATOM 978 C SER B 44 6.409 -2.266 -2.618 1.00 0.00 C ATOM 979 O SER B 44 7.247 -2.988 -2.080 1.00 0.00 O ATOM 980 CB SER B 44 7.961 -1.521 -4.443 1.00 0.00 C ATOM 981 OG SER B 44 7.455 -2.149 -5.609 1.00 0.00 O ATOM 0 H SER B 44 7.698 -0.297 -1.793 1.00 0.00 H new ATOM 0 HA SER B 44 5.985 -0.797 -4.114 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.545 -0.644 -4.724 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.637 -2.201 -3.925 1.00 0.00 H new ATOM 0 HG SER B 44 7.288 -1.473 -6.298 1.00 0.00 H new ATOM 987 N HIS B 45 5.107 -2.420 -2.449 1.00 0.00 N ATOM 988 CA HIS B 45 4.571 -3.486 -1.617 1.00 0.00 C ATOM 989 C HIS B 45 3.463 -4.206 -2.352 1.00 0.00 C ATOM 990 O HIS B 45 2.698 -3.585 -3.088 1.00 0.00 O ATOM 991 CB HIS B 45 4.003 -2.930 -0.304 1.00 0.00 C ATOM 992 CG HIS B 45 4.877 -1.927 0.382 1.00 0.00 C ATOM 993 ND1 HIS B 45 6.030 -2.243 1.065 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.745 -0.580 0.472 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.552 -1.105 1.539 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.811 -0.067 1.205 1.00 0.00 N ATOM 0 H HIS B 45 4.401 -1.821 -2.876 1.00 0.00 H new ATOM 0 HA HIS B 45 5.387 -4.173 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.036 -2.469 -0.509 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.822 -3.761 0.378 1.00 0.00 H new ATOM 0 HD1 HIS B 45 6.418 -3.178 1.188 1.00 0.00 H new ATOM 0 HD2 HIS B 45 3.942 0.001 0.044 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.461 -1.045 2.119 1.00 0.00 H new ATOM 1004 N MET B 46 3.378 -5.504 -2.172 1.00 0.00 N ATOM 1005 CA MET B 46 2.324 -6.270 -2.800 1.00 0.00 C ATOM 1006 C MET B 46 1.143 -6.343 -1.852 1.00 0.00 C ATOM 1007 O MET B 46 1.321 -6.388 -0.640 1.00 0.00 O ATOM 1008 CB MET B 46 2.791 -7.681 -3.167 1.00 0.00 C ATOM 1009 CG MET B 46 3.383 -7.786 -4.562 1.00 0.00 C ATOM 1010 SD MET B 46 3.163 -9.423 -5.293 1.00 0.00 S ATOM 1011 CE MET B 46 1.393 -9.643 -5.122 1.00 0.00 C ATOM 0 H MET B 46 4.022 -6.050 -1.599 1.00 0.00 H new ATOM 0 HA MET B 46 2.036 -5.773 -3.726 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.535 -8.008 -2.441 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.946 -8.365 -3.088 1.00 0.00 H new ATOM 0 HG2 MET B 46 2.918 -7.040 -5.206 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.447 -7.552 -4.519 1.00 0.00 H new ATOM 0 HE1 MET B 46 0.994 -10.103 -6.026 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.187 -10.287 -4.267 1.00 0.00 H new ATOM 0 HE3 MET B 46 0.919 -8.674 -4.969 1.00 0.00 H new ATOM 1021 N TYR B 47 -0.058 -6.332 -2.404 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.282 -6.415 -1.594 1.00 0.00 C ATOM 1023 C TYR B 47 -1.273 -7.686 -0.742 1.00 0.00 C ATOM 1024 O TYR B 47 -1.929 -7.759 0.293 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.495 -6.399 -2.521 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.508 -5.198 -3.437 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.776 -5.332 -4.789 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.236 -3.930 -2.945 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.773 -4.234 -5.624 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.234 -2.828 -3.772 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.502 -2.984 -5.110 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.498 -1.888 -5.937 1.00 0.00 O ATOM 0 H TYR B 47 -0.222 -6.267 -3.409 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.331 -5.560 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.502 -7.309 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.406 -6.405 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.990 -6.309 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.022 -3.804 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.982 -4.353 -6.677 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.023 -1.848 -3.371 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.071 -2.122 -6.788 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.481 -8.662 -1.170 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.370 -9.933 -0.470 1.00 0.00 C ATOM 1044 C ALA B 48 0.494 -9.821 0.787 1.00 0.00 C ATOM 1045 O ALA B 48 0.533 -10.750 1.590 1.00 0.00 O ATOM 1046 CB ALA B 48 0.196 -10.992 -1.404 1.00 0.00 C ATOM 0 H ALA B 48 0.098 -8.594 -2.007 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.371 -10.224 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.276 -11.940 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.465 -11.111 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.184 -10.684 -1.747 1.00 0.00 H new ATOM 1052 N ASP B 49 1.186 -8.694 0.950 1.00 0.00 N ATOM 1053 CA ASP B 49 2.037 -8.470 2.112 1.00 0.00 C ATOM 1054 C ASP B 49 1.396 -7.443 3.030 1.00 0.00 C ATOM 1055 O ASP B 49 1.902 -7.150 4.118 1.00 0.00 O ATOM 1056 CB ASP B 49 3.411 -7.944 1.725 1.00 0.00 C ATOM 1057 CG ASP B 49 3.893 -8.393 0.357 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.297 -7.515 -0.442 1.00 0.00 O ATOM 1059 OD2 ASP B 49 3.870 -9.610 0.078 1.00 0.00 O ATOM 0 H ASP B 49 1.172 -7.919 0.286 1.00 0.00 H new ATOM 0 HA ASP B 49 2.151 -9.434 2.609 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.389 -6.854 1.749 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.134 -8.265 2.475 1.00 0.00 H new ATOM 1064 N ILE B 50 0.283 -6.887 2.589 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.428 -5.906 3.382 1.00 0.00 C ATOM 1066 C ILE B 50 -1.439 -6.648 4.252 1.00 0.00 C ATOM 1067 O ILE B 50 -2.153 -7.519 3.759 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.178 -4.889 2.493 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.409 -4.607 1.193 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.434 -3.600 3.251 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.845 -3.780 1.365 1.00 0.00 C ATOM 0 H ILE B 50 -0.146 -7.098 1.688 1.00 0.00 H new ATOM 0 HA ILE B 50 0.291 -5.353 3.987 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.138 -5.329 2.224 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.140 -5.558 0.733 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.074 -4.093 0.498 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.963 -2.898 2.607 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.039 -3.810 4.133 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.484 -3.164 3.559 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.320 -3.633 0.395 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.586 -2.812 1.793 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.534 -4.299 2.031 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.502 -6.333 5.537 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.435 -7.017 6.420 1.00 0.00 C ATOM 1085 C LYS B 51 -3.764 -6.292 6.419 1.00 0.00 C ATOM 1086 O LYS B 51 -4.828 -6.909 6.400 1.00 0.00 O ATOM 1087 CB LYS B 51 -1.904 -7.091 7.847 1.00 0.00 C ATOM 1088 CG LYS B 51 -2.813 -7.883 8.770 1.00 0.00 C ATOM 1089 CD LYS B 51 -2.549 -7.558 10.223 1.00 0.00 C ATOM 1090 CE LYS B 51 -3.535 -6.531 10.766 1.00 0.00 C ATOM 1091 NZ LYS B 51 -3.304 -6.281 12.211 1.00 0.00 N ATOM 0 H LYS B 51 -0.928 -5.620 5.987 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.561 -8.034 6.049 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -0.914 -7.548 7.839 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -1.786 -6.081 8.239 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.854 -7.666 8.531 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.663 -8.950 8.602 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.612 -8.470 10.816 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.533 -7.178 10.331 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.435 -5.598 10.212 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.555 -6.885 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.989 -5.578 12.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -3.423 -7.168 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -2.338 -5.921 12.351 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.674 -4.975 6.454 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.833 -4.118 6.458 1.00 0.00 C ATOM 1107 C CYS B 52 -4.421 -2.711 6.066 1.00 0.00 C ATOM 1108 O CYS B 52 -3.250 -2.463 5.769 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.491 -4.116 7.836 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.402 -3.628 9.189 1.00 0.00 S ATOM 0 H CYS B 52 -2.787 -4.472 6.481 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.558 -4.494 5.736 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.347 -3.441 7.814 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -5.878 -5.114 8.041 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.061 -3.659 10.309 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.364 -1.791 6.061 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.070 -0.422 5.703 1.00 0.00 C ATOM 1118 C GLN B 53 -5.947 0.545 6.490 1.00 0.00 C ATOM 1119 O GLN B 53 -7.136 0.293 6.695 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.290 -0.191 4.214 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.719 -0.453 3.777 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.130 0.369 2.578 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -6.617 1.462 2.342 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.074 -0.151 1.821 1.00 0.00 N ATOM 0 H GLN B 53 -6.339 -1.968 6.301 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.023 -0.239 5.945 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.024 0.837 3.968 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.619 -0.838 3.649 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.833 -1.511 3.541 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.392 -0.237 4.607 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.471 -1.061 2.054 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.408 0.356 1.001 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.363 1.641 6.938 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.119 2.652 7.659 1.00 0.00 C ATOM 1135 C LYS B 54 -6.268 3.894 6.806 1.00 0.00 C ATOM 1136 O LYS B 54 -5.467 4.140 5.905 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.425 3.102 8.941 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.242 2.063 10.012 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.789 2.742 11.295 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.418 1.748 12.386 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.947 0.447 11.824 1.00 0.00 N ATOM 0 H LYS B 54 -4.373 1.855 6.817 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.078 2.193 7.899 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.443 3.494 8.676 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.995 3.929 9.364 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.177 1.528 10.180 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.504 1.325 9.697 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.930 3.378 11.081 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.585 3.393 11.657 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.636 2.175 13.014 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.283 1.574 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.754 -0.217 12.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.682 0.050 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.077 0.601 11.275 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.288 4.677 7.095 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.493 5.936 6.411 1.00 0.00 C ATOM 1157 C ILE B 55 -7.717 6.995 7.485 1.00 0.00 C ATOM 1158 O ILE B 55 -8.506 6.791 8.409 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.667 5.904 5.382 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.007 6.316 5.997 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.803 4.516 4.769 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.917 7.012 5.005 1.00 0.00 C ATOM 0 H ILE B 55 -7.990 4.461 7.803 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.613 6.164 5.809 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.418 6.632 4.610 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.510 5.431 6.387 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.825 6.978 6.844 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.626 4.513 4.054 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.877 4.252 4.257 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.003 3.789 5.556 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.852 7.281 5.496 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.429 7.913 4.634 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.125 6.343 4.170 1.00 0.00 H new ATOM 1174 N SER B 56 -6.971 8.086 7.427 1.00 0.00 N ATOM 1175 CA SER B 56 -7.119 9.124 8.423 1.00 0.00 C ATOM 1176 C SER B 56 -8.182 10.100 7.959 1.00 0.00 C ATOM 1177 O SER B 56 -8.055 10.731 6.889 1.00 0.00 O ATOM 1178 CB SER B 56 -5.792 9.822 8.726 1.00 0.00 C ATOM 1179 OG SER B 56 -5.585 10.949 7.904 1.00 0.00 O ATOM 0 H SER B 56 -6.268 8.271 6.711 1.00 0.00 H new ATOM 0 HA SER B 56 -7.436 8.673 9.363 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.775 10.129 9.772 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.972 9.117 8.587 1.00 0.00 H new ATOM 0 HG SER B 56 -4.922 11.539 8.319 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.239 10.192 8.775 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.428 11.017 8.533 1.00 0.00 C ATOM 1187 C PRO B 57 -10.203 12.512 8.693 1.00 0.00 C ATOM 1188 O PRO B 57 -9.127 12.970 9.088 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.401 10.535 9.611 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.515 10.115 10.728 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.336 9.478 10.064 1.00 0.00 C ATOM 0 HA PRO B 57 -10.769 10.905 7.504 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.083 11.328 9.918 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.015 9.708 9.255 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.213 10.968 11.335 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.021 9.414 11.392 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.429 9.596 10.657 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.486 8.408 9.920 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.240 13.252 8.335 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.257 14.696 8.435 1.00 0.00 C ATOM 1201 C GLU B 58 -11.060 15.127 9.889 1.00 0.00 C ATOM 1202 O GLU B 58 -11.285 14.350 10.818 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.577 15.248 7.881 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.715 15.129 6.363 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.591 13.699 5.859 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.884 13.478 4.854 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.175 12.791 6.485 1.00 0.00 O ATOM 0 H GLU B 58 -12.104 12.858 7.962 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.437 15.101 7.842 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.406 14.720 8.353 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.666 16.297 8.162 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.682 15.531 6.060 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.951 15.743 5.886 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.671 16.371 10.074 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.396 16.889 11.400 1.00 0.00 C ATOM 1216 C GLY B 59 -8.931 17.218 11.515 1.00 0.00 C ATOM 1217 O GLY B 59 -8.531 18.119 12.250 1.00 0.00 O ATOM 0 H GLY B 59 -10.537 17.045 9.321 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.996 17.780 11.586 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.675 16.154 12.155 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.133 16.481 10.759 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.709 16.723 10.683 1.00 0.00 C ATOM 1223 C LYS B 60 -6.483 17.689 9.541 1.00 0.00 C ATOM 1224 O LYS B 60 -7.289 17.752 8.613 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.920 15.428 10.429 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.479 14.697 11.688 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.575 13.505 11.364 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.983 12.873 12.619 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.711 13.271 13.853 1.00 0.00 N ATOM 0 H LYS B 60 -8.456 15.703 10.185 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.357 17.129 11.632 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.534 14.755 9.831 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.038 15.666 9.835 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.949 15.388 12.343 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.357 14.350 12.234 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.147 12.755 10.817 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.768 13.831 10.708 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.006 11.788 12.521 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.936 13.163 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.459 12.625 14.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.448 14.243 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.736 13.224 13.682 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.407 18.442 9.603 1.00 0.00 N ATOM 1244 CA ALA B 61 -5.094 19.395 8.550 1.00 0.00 C ATOM 1245 C ALA B 61 -4.588 18.678 7.321 1.00 0.00 C ATOM 1246 O ALA B 61 -4.209 19.300 6.331 1.00 0.00 O ATOM 1247 CB ALA B 61 -4.051 20.370 9.025 1.00 0.00 C ATOM 0 H ALA B 61 -4.733 18.416 10.368 1.00 0.00 H new ATOM 0 HA ALA B 61 -6.006 19.936 8.297 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.825 21.078 8.228 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -4.427 20.910 9.894 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -3.145 19.829 9.297 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.576 17.367 7.397 1.00 0.00 N ATOM 1254 CA LYS B 62 -4.106 16.562 6.311 1.00 0.00 C ATOM 1255 C LYS B 62 -4.889 15.258 6.235 1.00 0.00 C ATOM 1256 O LYS B 62 -5.336 14.733 7.256 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.621 16.266 6.492 1.00 0.00 C ATOM 1258 CG LYS B 62 -2.274 15.726 7.872 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.436 16.715 8.666 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.962 16.108 9.973 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.215 17.086 10.808 1.00 0.00 N ATOM 0 H LYS B 62 -4.891 16.839 8.211 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.254 17.110 5.381 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.308 15.543 5.738 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -2.052 17.179 6.314 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -3.191 15.505 8.418 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.730 14.787 7.770 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.576 17.025 8.073 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -2.022 17.611 8.870 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.821 15.737 10.532 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.324 15.250 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.805 16.894 10.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.410 18.050 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.517 16.998 11.799 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.059 14.750 5.030 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.762 13.497 4.813 1.00 0.00 C ATOM 1277 C ILE B 63 -4.724 12.388 4.700 1.00 0.00 C ATOM 1278 O ILE B 63 -3.703 12.580 4.048 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.626 13.571 3.533 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.817 14.507 3.755 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.108 12.195 3.114 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.610 15.906 3.212 1.00 0.00 C ATOM 0 H ILE B 63 -4.716 15.190 4.176 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.434 13.295 5.647 1.00 0.00 H new ATOM 0 HB ILE B 63 -6.006 13.968 2.729 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.700 14.073 3.285 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.023 14.570 4.824 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.713 12.281 2.211 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.249 11.553 2.916 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.709 11.761 3.913 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.498 16.508 3.408 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.748 16.361 3.699 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.436 15.857 2.137 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.939 11.239 5.330 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.916 10.189 5.271 1.00 0.00 C ATOM 1296 C GLN B 64 -4.477 8.794 5.082 1.00 0.00 C ATOM 1297 O GLN B 64 -5.667 8.545 5.239 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.057 10.166 6.536 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.483 11.503 6.952 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.872 11.442 8.334 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.921 12.162 8.633 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.413 10.572 9.188 1.00 0.00 N ATOM 0 H GLN B 64 -5.775 11.010 5.868 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.320 10.448 4.396 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.659 9.776 7.357 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.234 9.467 6.384 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.726 11.814 6.232 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.269 12.258 6.934 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.202 9.994 8.897 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.038 10.484 10.133 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.584 7.911 4.684 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.869 6.504 4.504 1.00 0.00 C ATOM 1313 C LEU B 65 -2.666 5.738 5.037 1.00 0.00 C ATOM 1314 O LEU B 65 -1.581 6.294 5.084 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.053 6.171 3.028 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.941 4.967 2.735 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.381 5.406 2.557 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.445 4.221 1.514 1.00 0.00 C ATOM 0 H LEU B 65 -2.618 8.159 4.472 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.787 6.238 5.027 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.474 7.042 2.526 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.072 5.993 2.588 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.895 4.286 3.584 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.003 4.536 2.348 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.729 5.891 3.469 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.447 6.107 1.725 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.093 3.365 1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.458 4.887 0.651 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.427 3.873 1.689 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.830 4.509 5.483 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.679 3.761 5.971 1.00 0.00 C ATOM 1332 C GLN B 66 -1.812 2.281 5.660 1.00 0.00 C ATOM 1333 O GLN B 66 -2.872 1.687 5.835 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.448 3.984 7.476 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.161 3.000 8.388 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.679 3.058 9.831 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.700 2.055 10.540 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.260 4.228 10.281 1.00 0.00 N ATOM 0 H GLN B 66 -3.721 4.014 5.520 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.804 4.142 5.444 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.378 3.931 7.676 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.771 4.993 7.732 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.232 3.201 8.362 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.017 1.990 8.004 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.256 5.040 9.664 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.940 4.319 11.245 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.733 1.708 5.168 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.695 0.299 4.842 1.00 0.00 C ATOM 1349 C LEU B 67 -0.139 -0.482 6.012 1.00 0.00 C ATOM 1350 O LEU B 67 1.060 -0.461 6.266 1.00 0.00 O ATOM 1351 CB LEU B 67 0.181 0.049 3.621 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.401 0.479 2.281 1.00 0.00 C ATOM 1353 CD1 LEU B 67 0.513 0.020 1.161 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.803 -0.082 2.096 1.00 0.00 C ATOM 0 H LEU B 67 0.139 2.204 4.984 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.712 -0.027 4.623 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.128 0.568 3.766 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.405 -1.017 3.572 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.473 1.566 2.258 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.096 0.328 0.202 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.498 0.468 1.289 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.602 -1.066 1.186 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.199 0.238 1.132 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.767 -1.171 2.130 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.450 0.284 2.893 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.006 -1.150 6.729 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.590 -1.939 7.865 1.00 0.00 C ATOM 1368 C VAL B 68 -0.245 -3.336 7.390 1.00 0.00 C ATOM 1369 O VAL B 68 -1.124 -4.137 7.087 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.691 -1.981 8.931 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.144 -2.459 10.257 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.317 -0.608 9.076 1.00 0.00 C ATOM 0 H VAL B 68 -2.009 -1.164 6.547 1.00 0.00 H new ATOM 0 HA VAL B 68 0.289 -1.484 8.322 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.456 -2.689 8.613 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.946 -2.479 10.995 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -0.732 -3.462 10.141 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.359 -1.781 10.592 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.099 -0.643 9.835 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.553 0.110 9.375 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.749 -0.303 8.123 1.00 0.00 H new ATOM 1382 N LEU B 69 1.038 -3.618 7.300 1.00 0.00 N ATOM 1383 CA LEU B 69 1.503 -4.902 6.799 1.00 0.00 C ATOM 1384 C LEU B 69 1.645 -5.925 7.904 1.00 0.00 C ATOM 1385 O LEU B 69 1.801 -5.576 9.073 1.00 0.00 O ATOM 1386 CB LEU B 69 2.850 -4.727 6.111 1.00 0.00 C ATOM 1387 CG LEU B 69 3.062 -3.363 5.473 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.471 -3.237 4.957 1.00 0.00 C ATOM 1389 CD2 LEU B 69 2.080 -3.136 4.348 1.00 0.00 C ATOM 0 H LEU B 69 1.783 -2.975 7.568 1.00 0.00 H new ATOM 0 HA LEU B 69 0.757 -5.266 6.093 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.641 -4.899 6.841 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.953 -5.493 5.342 1.00 0.00 H new ATOM 0 HG LEU B 69 2.895 -2.604 6.237 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.606 -2.255 4.503 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.173 -3.355 5.783 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.656 -4.010 4.211 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.252 -2.154 3.908 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.216 -3.904 3.586 1.00 0.00 H new ATOM 0 HD23 LEU B 69 1.063 -3.186 4.737 1.00 0.00 H new ATOM 1401 N HIS B 70 1.613 -7.199 7.528 1.00 0.00 N ATOM 1402 CA HIS B 70 1.783 -8.270 8.499 1.00 0.00 C ATOM 1403 C HIS B 70 3.267 -8.459 8.773 1.00 0.00 C ATOM 1404 O HIS B 70 3.672 -9.310 9.558 1.00 0.00 O ATOM 1405 CB HIS B 70 1.148 -9.597 8.040 1.00 0.00 C ATOM 1406 CG HIS B 70 0.996 -9.752 6.557 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.171 -9.482 5.882 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.880 -10.174 5.613 1.00 0.00 C ATOM 1409 CE1 HIS B 70 0.040 -9.738 4.589 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.261 -10.170 4.381 1.00 0.00 N ATOM 0 H HIS B 70 1.472 -7.512 6.567 1.00 0.00 H new ATOM 0 HA HIS B 70 1.263 -7.980 9.412 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.755 -10.421 8.415 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.165 -9.690 8.502 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.041 -9.147 6.295 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.903 -10.466 5.799 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.700 -9.606 3.813 1.00 0.00 H new ATOM 1418 N ALA B 71 4.064 -7.637 8.101 1.00 0.00 N ATOM 1419 CA ALA B 71 5.509 -7.653 8.242 1.00 0.00 C ATOM 1420 C ALA B 71 5.927 -6.928 9.517 1.00 0.00 C ATOM 1421 O ALA B 71 7.085 -6.980 9.923 1.00 0.00 O ATOM 1422 CB ALA B 71 6.146 -6.997 7.026 1.00 0.00 C ATOM 0 H ALA B 71 3.722 -6.939 7.441 1.00 0.00 H new ATOM 0 HA ALA B 71 5.850 -8.686 8.310 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.231 -7.009 7.132 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.863 -7.545 6.127 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.801 -5.966 6.946 1.00 0.00 H new ATOM 1428 N GLY B 72 4.969 -6.249 10.139 1.00 0.00 N ATOM 1429 CA GLY B 72 5.246 -5.514 11.357 1.00 0.00 C ATOM 1430 C GLY B 72 5.523 -4.052 11.086 1.00 0.00 C ATOM 1431 O GLY B 72 5.973 -3.324 11.969 1.00 0.00 O ATOM 0 H GLY B 72 4.002 -6.195 9.819 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.397 -5.603 12.035 1.00 0.00 H new ATOM 0 HA3 GLY B 72 6.104 -5.958 11.861 1.00 0.00 H new ATOM 1435 N ASP B 73 5.243 -3.622 9.863 1.00 0.00 N ATOM 1436 CA ASP B 73 5.475 -2.234 9.468 1.00 0.00 C ATOM 1437 C ASP B 73 4.214 -1.619 8.888 1.00 0.00 C ATOM 1438 O ASP B 73 3.333 -2.328 8.395 1.00 0.00 O ATOM 1439 CB ASP B 73 6.625 -2.139 8.452 1.00 0.00 C ATOM 1440 CG ASP B 73 6.805 -0.736 7.882 1.00 0.00 C ATOM 1441 OD1 ASP B 73 7.139 0.191 8.657 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.608 -0.556 6.662 1.00 0.00 O ATOM 0 H ASP B 73 4.855 -4.211 9.126 1.00 0.00 H new ATOM 0 HA ASP B 73 5.754 -1.676 10.362 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.552 -2.452 8.932 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.438 -2.836 7.635 1.00 0.00 H new ATOM 1447 N THR B 74 4.121 -0.305 8.977 1.00 0.00 N ATOM 1448 CA THR B 74 2.992 0.419 8.446 1.00 0.00 C ATOM 1449 C THR B 74 3.488 1.477 7.465 1.00 0.00 C ATOM 1450 O THR B 74 4.412 2.235 7.767 1.00 0.00 O ATOM 1451 CB THR B 74 2.189 1.096 9.574 1.00 0.00 C ATOM 1452 OG1 THR B 74 3.078 1.754 10.483 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.360 0.078 10.336 1.00 0.00 C ATOM 0 H THR B 74 4.826 0.285 9.419 1.00 0.00 H new ATOM 0 HA THR B 74 2.336 -0.286 7.935 1.00 0.00 H new ATOM 0 HB THR B 74 1.520 1.826 9.119 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.807 2.175 9.981 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.803 0.581 11.126 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.663 -0.408 9.653 1.00 0.00 H new ATOM 0 HG23 THR B 74 2.018 -0.671 10.776 1.00 0.00 H new ATOM 1461 N THR B 75 2.885 1.519 6.296 1.00 0.00 N ATOM 1462 CA THR B 75 3.259 2.484 5.281 1.00 0.00 C ATOM 1463 C THR B 75 2.224 3.602 5.226 1.00 0.00 C ATOM 1464 O THR B 75 1.173 3.453 4.604 1.00 0.00 O ATOM 1465 CB THR B 75 3.361 1.794 3.908 1.00 0.00 C ATOM 1466 OG1 THR B 75 3.865 0.461 4.075 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.272 2.569 2.971 1.00 0.00 C ATOM 0 H THR B 75 2.128 0.892 6.023 1.00 0.00 H new ATOM 0 HA THR B 75 4.230 2.908 5.535 1.00 0.00 H new ATOM 0 HB THR B 75 2.365 1.761 3.467 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.928 0.023 3.201 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.325 2.058 2.010 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.875 3.574 2.827 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.270 2.632 3.404 1.00 0.00 H new ATOM 1475 N ASN B 76 2.517 4.720 5.870 1.00 0.00 N ATOM 1476 CA ASN B 76 1.579 5.834 5.906 1.00 0.00 C ATOM 1477 C ASN B 76 1.723 6.734 4.693 1.00 0.00 C ATOM 1478 O ASN B 76 2.791 7.275 4.421 1.00 0.00 O ATOM 1479 CB ASN B 76 1.751 6.666 7.177 1.00 0.00 C ATOM 1480 CG ASN B 76 1.265 5.956 8.424 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.294 4.728 8.512 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.814 6.725 9.397 1.00 0.00 N ATOM 0 H ASN B 76 3.390 4.882 6.372 1.00 0.00 H new ATOM 0 HA ASN B 76 0.581 5.397 5.898 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.804 6.920 7.298 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.208 7.604 7.066 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.472 6.306 10.262 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.807 7.739 9.284 1.00 0.00 H new ATOM 1489 N PHE B 77 0.633 6.885 3.974 1.00 0.00 N ATOM 1490 CA PHE B 77 0.588 7.724 2.803 1.00 0.00 C ATOM 1491 C PHE B 77 -0.129 9.016 3.148 1.00 0.00 C ATOM 1492 O PHE B 77 -1.325 9.025 3.446 1.00 0.00 O ATOM 1493 CB PHE B 77 -0.100 6.998 1.652 1.00 0.00 C ATOM 1494 CG PHE B 77 0.743 5.893 1.090 1.00 0.00 C ATOM 1495 CD1 PHE B 77 1.881 6.185 0.358 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.409 4.568 1.304 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.671 5.177 -0.152 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.195 3.554 0.795 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.329 3.860 0.066 1.00 0.00 C ATOM 0 H PHE B 77 -0.252 6.425 4.189 1.00 0.00 H new ATOM 0 HA PHE B 77 1.602 7.959 2.479 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -1.048 6.588 1.999 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.332 7.712 0.862 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.153 7.216 0.184 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.475 4.325 1.875 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.556 5.419 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE B 77 0.924 2.523 0.966 1.00 0.00 H new ATOM 0 HZ PHE B 77 2.946 3.068 -0.332 1.00 0.00 H new ATOM 1509 N HIS B 78 0.621 10.093 3.119 1.00 0.00 N ATOM 1510 CA HIS B 78 0.115 11.407 3.456 1.00 0.00 C ATOM 1511 C HIS B 78 -0.507 12.080 2.243 1.00 0.00 C ATOM 1512 O HIS B 78 0.198 12.623 1.399 1.00 0.00 O ATOM 1513 CB HIS B 78 1.278 12.245 3.973 1.00 0.00 C ATOM 1514 CG HIS B 78 0.907 13.290 4.967 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.258 13.229 6.293 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.253 14.464 4.803 1.00 0.00 C ATOM 1517 CE1 HIS B 78 0.820 14.341 6.886 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.204 15.127 6.022 1.00 0.00 N ATOM 0 H HIS B 78 1.607 10.084 2.859 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.660 11.313 4.217 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.013 11.579 4.425 1.00 0.00 H new ATOM 0 HB3 HIS B 78 1.764 12.728 3.125 1.00 0.00 H new ATOM 0 HD1 HIS B 78 1.764 12.468 6.745 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.163 14.826 3.875 1.00 0.00 H new ATOM 0 HE1 HIS B 78 0.952 14.568 7.934 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.826 12.036 2.162 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.551 12.649 1.060 1.00 0.00 C ATOM 1528 C PHE B 79 -2.609 14.163 1.260 1.00 0.00 C ATOM 1529 O PHE B 79 -3.551 14.685 1.859 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.969 12.084 0.977 1.00 0.00 C ATOM 1531 CG PHE B 79 -4.046 10.723 0.355 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -4.295 10.590 -0.994 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.882 9.577 1.118 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.380 9.345 -1.577 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.963 8.326 0.535 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.214 8.212 -0.817 1.00 0.00 C ATOM 0 H PHE B 79 -2.422 11.578 2.852 1.00 0.00 H new ATOM 0 HA PHE B 79 -2.030 12.426 0.129 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.390 12.038 1.981 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.590 12.771 0.402 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -4.425 11.473 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.689 9.662 2.177 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.578 9.259 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.830 7.439 1.137 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.280 7.237 -1.276 1.00 0.00 H new ATOM 1546 N SER B 80 -1.600 14.861 0.769 1.00 0.00 N ATOM 1547 CA SER B 80 -1.534 16.306 0.918 1.00 0.00 C ATOM 1548 C SER B 80 -1.937 17.043 -0.361 1.00 0.00 C ATOM 1549 O SER B 80 -1.714 18.246 -0.484 1.00 0.00 O ATOM 1550 CB SER B 80 -0.124 16.713 1.355 1.00 0.00 C ATOM 1551 OG SER B 80 0.852 15.801 0.870 1.00 0.00 O ATOM 0 H SER B 80 -0.815 14.451 0.263 1.00 0.00 H new ATOM 0 HA SER B 80 -2.253 16.595 1.685 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.098 17.715 0.988 1.00 0.00 H new ATOM 0 HB3 SER B 80 -0.076 16.755 2.443 1.00 0.00 H new ATOM 0 HG SER B 80 1.742 16.088 1.164 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.533 16.329 -1.310 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.966 16.951 -2.560 1.00 0.00 C ATOM 1559 C ASN B 81 -4.331 17.608 -2.369 1.00 0.00 C ATOM 1560 O ASN B 81 -5.371 16.978 -2.535 1.00 0.00 O ATOM 1561 CB ASN B 81 -3.002 15.928 -3.699 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.192 16.575 -5.061 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.661 15.937 -6.005 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.818 17.841 -5.184 1.00 0.00 N ATOM 0 H ASN B 81 -2.727 15.330 -1.241 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.245 17.721 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.074 15.357 -3.699 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.812 15.220 -3.521 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.915 18.317 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.433 18.339 -4.381 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.292 18.890 -2.035 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.477 19.714 -1.765 1.00 0.00 C ATOM 1573 C GLU B 82 -6.646 19.491 -2.740 1.00 0.00 C ATOM 1574 O GLU B 82 -7.811 19.550 -2.339 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.071 21.200 -1.759 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.704 21.783 -3.128 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.682 20.957 -3.894 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -3.989 20.539 -5.030 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.589 20.691 -3.349 1.00 0.00 O ATOM 0 H GLU B 82 -3.417 19.405 -1.940 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.850 19.404 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.893 21.783 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.220 21.325 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.609 21.872 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.313 22.791 -2.990 1.00 0.00 H new ATOM 1586 N SER B 83 -6.342 19.226 -4.000 1.00 0.00 N ATOM 1587 CA SER B 83 -7.367 19.033 -5.012 1.00 0.00 C ATOM 1588 C SER B 83 -8.208 17.777 -4.799 1.00 0.00 C ATOM 1589 O SER B 83 -9.435 17.860 -4.650 1.00 0.00 O ATOM 1590 CB SER B 83 -6.719 19.005 -6.398 1.00 0.00 C ATOM 1591 OG SER B 83 -5.334 18.726 -6.306 1.00 0.00 O ATOM 0 H SER B 83 -5.387 19.139 -4.348 1.00 0.00 H new ATOM 0 HA SER B 83 -8.054 19.875 -4.929 1.00 0.00 H new ATOM 0 HB2 SER B 83 -7.205 18.250 -7.015 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.868 19.965 -6.892 1.00 0.00 H new ATOM 0 HG SER B 83 -4.841 19.561 -6.163 1.00 0.00 H new ATOM 1597 N THR B 84 -7.583 16.614 -4.785 1.00 0.00 N ATOM 1598 CA THR B 84 -8.345 15.386 -4.670 1.00 0.00 C ATOM 1599 C THR B 84 -7.902 14.440 -3.551 1.00 0.00 C ATOM 1600 O THR B 84 -8.393 13.325 -3.497 1.00 0.00 O ATOM 1601 CB THR B 84 -8.308 14.663 -6.025 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.959 14.598 -6.511 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.163 15.419 -7.031 1.00 0.00 C ATOM 0 H THR B 84 -6.572 16.494 -4.850 1.00 0.00 H new ATOM 0 HA THR B 84 -9.358 15.678 -4.392 1.00 0.00 H new ATOM 0 HB THR B 84 -8.696 13.652 -5.896 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.343 14.498 -5.755 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.135 14.904 -7.991 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.192 15.464 -6.673 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.776 16.431 -7.150 1.00 0.00 H new ATOM 1611 N ALA B 85 -7.041 14.895 -2.641 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.521 14.048 -1.548 1.00 0.00 C ATOM 1613 C ALA B 85 -7.595 13.211 -0.854 1.00 0.00 C ATOM 1614 O ALA B 85 -7.403 12.020 -0.639 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.797 14.894 -0.516 1.00 0.00 C ATOM 0 H ALA B 85 -6.682 15.850 -2.633 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.829 13.350 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.421 14.253 0.281 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.963 15.411 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.487 15.627 -0.097 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.709 13.831 -0.490 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.795 13.112 0.179 1.00 0.00 C ATOM 1623 C VAL B 86 -10.323 11.976 -0.706 1.00 0.00 C ATOM 1624 O VAL B 86 -10.378 10.823 -0.286 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.943 14.080 0.564 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.290 13.369 0.614 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.658 14.741 1.899 1.00 0.00 C ATOM 0 H VAL B 86 -8.888 14.823 -0.643 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.395 12.675 1.094 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.995 14.844 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.068 14.082 0.887 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.514 12.945 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.253 12.571 1.355 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.475 15.417 2.152 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.566 13.977 2.671 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.727 15.305 1.834 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.665 12.310 -1.945 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.184 11.334 -2.904 1.00 0.00 C ATOM 1639 C LYS B 87 -10.098 10.326 -3.258 1.00 0.00 C ATOM 1640 O LYS B 87 -10.377 9.157 -3.502 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.665 12.061 -4.167 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.480 13.316 -3.883 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.856 14.546 -4.532 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.604 15.822 -4.168 1.00 0.00 C ATOM 1645 NZ LYS B 87 -12.020 17.026 -4.830 1.00 0.00 N ATOM 0 H LYS B 87 -10.592 13.258 -2.314 1.00 0.00 H new ATOM 0 HA LYS B 87 -12.024 10.801 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.799 12.331 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.268 11.375 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.496 13.183 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.552 13.468 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.816 14.633 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.854 14.423 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.650 15.723 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.583 15.958 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.619 17.854 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -11.063 17.196 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.970 16.868 -5.857 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.862 10.799 -3.292 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.719 9.956 -3.578 1.00 0.00 C ATOM 1661 C GLU B 88 -7.554 8.945 -2.451 1.00 0.00 C ATOM 1662 O GLU B 88 -7.352 7.760 -2.700 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.471 10.822 -3.771 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.265 11.238 -5.222 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.214 12.316 -5.397 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.231 12.086 -6.134 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.380 13.412 -4.832 1.00 0.00 O ATOM 0 H GLU B 88 -8.627 11.777 -3.122 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.873 9.403 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.552 11.714 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.595 10.272 -3.427 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.978 10.363 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.212 11.595 -5.628 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.674 9.423 -1.211 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.595 8.564 -0.031 1.00 0.00 C ATOM 1676 C ARG B 89 -8.636 7.477 -0.161 1.00 0.00 C ATOM 1677 O ARG B 89 -8.364 6.292 0.022 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.887 9.377 1.237 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.823 8.578 2.524 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.668 9.234 3.610 1.00 0.00 C ATOM 1681 NE ARG B 89 -10.006 9.587 3.123 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.739 10.601 3.594 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.288 11.365 4.581 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.934 10.846 3.077 1.00 0.00 N ATOM 0 H ARG B 89 -7.827 10.409 -0.999 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.595 8.137 0.041 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.174 10.199 1.299 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.879 9.821 1.149 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.177 7.563 2.345 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.788 8.501 2.859 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.758 8.556 4.459 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.164 10.131 3.970 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.404 9.020 2.374 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.372 11.182 4.990 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.858 12.135 4.931 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.292 10.262 2.322 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.496 11.619 3.434 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.830 7.920 -0.500 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.971 7.055 -0.683 1.00 0.00 C ATOM 1700 C ASP B 90 -10.767 6.057 -1.818 1.00 0.00 C ATOM 1701 O ASP B 90 -11.056 4.883 -1.652 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.217 7.916 -0.893 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.920 8.197 0.421 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.589 9.210 1.075 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.778 7.381 0.820 1.00 0.00 O ATOM 0 H ASP B 90 -10.035 8.907 -0.658 1.00 0.00 H new ATOM 0 HA ASP B 90 -11.101 6.451 0.215 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.936 8.857 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.902 7.409 -1.573 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.244 6.507 -2.949 1.00 0.00 N ATOM 1711 CA ALA B 91 -10.008 5.619 -4.091 1.00 0.00 C ATOM 1712 C ALA B 91 -8.917 4.595 -3.782 1.00 0.00 C ATOM 1713 O ALA B 91 -9.068 3.419 -4.105 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.652 6.425 -5.329 1.00 0.00 C ATOM 0 H ALA B 91 -9.974 7.478 -3.106 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.931 5.073 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.480 5.749 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.472 7.101 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.748 7.004 -5.139 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.814 5.040 -3.172 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.738 4.121 -2.797 1.00 0.00 C ATOM 1722 C VAL B 92 -7.318 3.100 -1.830 1.00 0.00 C ATOM 1723 O VAL B 92 -7.093 1.902 -1.959 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.551 4.849 -2.131 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.432 3.872 -1.815 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -5.034 5.955 -3.027 1.00 0.00 C ATOM 0 H VAL B 92 -7.645 6.016 -2.931 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.352 3.645 -3.698 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.905 5.289 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.605 4.405 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.801 3.104 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -4.086 3.404 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.198 6.456 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.701 5.530 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.831 6.675 -3.212 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.106 3.608 -0.885 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.782 2.781 0.106 1.00 0.00 C ATOM 1738 C LYS B 93 -9.690 1.779 -0.594 1.00 0.00 C ATOM 1739 O LYS B 93 -9.600 0.578 -0.368 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.616 3.669 1.035 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.511 2.904 2.003 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.982 3.047 1.630 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.425 4.502 1.659 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.621 4.748 0.806 1.00 0.00 N ATOM 0 H LYS B 93 -8.293 4.606 -0.787 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.038 2.243 0.693 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.943 4.307 1.608 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.238 4.327 0.427 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.234 1.850 2.001 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.353 3.273 3.016 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.148 2.635 0.635 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.592 2.466 2.322 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.649 4.790 2.686 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.605 5.136 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.630 5.741 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.586 4.128 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.484 4.547 1.351 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.553 2.304 -1.448 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.502 1.510 -2.215 1.00 0.00 C ATOM 1760 C ASP B 94 -10.814 0.401 -2.994 1.00 0.00 C ATOM 1761 O ASP B 94 -11.132 -0.775 -2.827 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.283 2.429 -3.160 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.567 2.942 -2.536 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.616 2.881 -3.203 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.527 3.390 -1.369 1.00 0.00 O ATOM 0 H ASP B 94 -10.616 3.305 -1.631 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.189 1.030 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.655 3.275 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.518 1.888 -4.077 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.846 0.779 -3.811 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.109 -0.176 -4.629 1.00 0.00 C ATOM 1772 C LEU B 95 -8.334 -1.162 -3.760 1.00 0.00 C ATOM 1773 O LEU B 95 -8.182 -2.315 -4.123 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.155 0.573 -5.565 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.756 -0.174 -6.840 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.967 -0.398 -7.731 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.678 0.594 -7.589 1.00 0.00 C ATOM 0 H LEU B 95 -9.549 1.748 -3.928 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.824 -0.745 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.620 1.517 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.249 0.818 -5.011 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.355 -1.147 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.662 -0.930 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.709 -0.988 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.399 0.564 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.405 0.050 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.055 1.580 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.800 0.703 -6.952 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.869 -0.717 -2.604 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.116 -1.587 -1.704 1.00 0.00 C ATOM 1791 C LEU B 96 -8.058 -2.536 -0.975 1.00 0.00 C ATOM 1792 O LEU B 96 -7.739 -3.694 -0.790 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.316 -0.773 -0.690 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.974 -0.243 -1.189 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.422 0.791 -0.225 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.985 -1.380 -1.359 1.00 0.00 C ATOM 0 H LEU B 96 -7.997 0.236 -2.264 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.417 -2.166 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.924 0.072 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.139 -1.392 0.189 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.130 0.231 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.465 1.159 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.123 1.622 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.281 0.336 0.755 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -3.034 -0.985 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.835 -1.878 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.374 -2.096 -2.083 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.227 -2.052 -0.570 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.203 -2.909 0.107 1.00 0.00 C ATOM 1810 C GLN B 97 -10.693 -3.959 -0.878 1.00 0.00 C ATOM 1811 O GLN B 97 -11.262 -4.986 -0.514 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.393 -2.094 0.626 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.084 -1.273 1.864 1.00 0.00 C ATOM 1814 CD GLN B 97 -10.494 -2.110 2.977 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -9.283 -2.293 3.052 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -11.345 -2.614 3.849 1.00 0.00 N ATOM 0 H GLN B 97 -9.523 -1.084 -0.695 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.723 -3.382 0.964 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.736 -1.426 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -12.216 -2.773 0.849 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.387 -0.476 1.604 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.998 -0.795 2.217 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.344 -2.436 3.748 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -11.004 -3.182 4.625 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.467 -3.649 -2.136 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.821 -4.494 -3.253 1.00 0.00 C ATOM 1827 C GLN B 98 -9.692 -5.477 -3.560 1.00 0.00 C ATOM 1828 O GLN B 98 -9.892 -6.682 -3.710 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.032 -3.576 -4.458 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.422 -2.977 -4.541 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.585 -2.042 -5.723 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.014 -2.261 -6.789 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.352 -0.978 -5.536 1.00 0.00 N ATOM 0 H GLN B 98 -10.019 -2.777 -2.417 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.718 -5.069 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.301 -2.768 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.835 -4.140 -5.370 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.156 -3.780 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.635 -2.433 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -13.809 -0.831 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.485 -0.306 -6.292 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.506 -4.912 -3.633 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.284 -5.621 -3.979 1.00 0.00 C ATOM 1844 C LEU B 99 -6.600 -6.372 -2.825 1.00 0.00 C ATOM 1845 O LEU B 99 -6.067 -7.457 -3.033 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.332 -4.583 -4.568 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.536 -4.311 -6.059 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.838 -3.025 -6.471 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.042 -5.481 -6.894 1.00 0.00 C ATOM 0 H LEU B 99 -8.357 -3.920 -3.449 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.550 -6.411 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.451 -3.648 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.307 -4.917 -4.409 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.605 -4.193 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.996 -2.850 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.247 -2.190 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.770 -3.111 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.197 -5.265 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.979 -5.638 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.594 -6.381 -6.623 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.607 -5.821 -1.624 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.925 -6.460 -0.496 1.00 0.00 C ATOM 1863 C LEU B 100 -6.519 -7.825 -0.123 1.00 0.00 C ATOM 1864 O LEU B 100 -5.807 -8.830 -0.158 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.875 -5.534 0.720 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.961 -4.334 0.523 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.920 -3.451 1.754 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.569 -4.790 0.173 1.00 0.00 C ATOM 0 H LEU B 100 -7.071 -4.941 -1.399 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.905 -6.649 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.882 -5.182 0.942 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.537 -6.102 1.587 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.367 -3.744 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.257 -2.605 1.573 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.923 -3.085 1.973 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.551 -4.027 2.603 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.925 -3.921 0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.175 -5.409 0.979 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.597 -5.371 -0.749 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.823 -7.904 0.222 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.457 -9.173 0.606 1.00 0.00 C ATOM 1882 C PRO B 101 -8.375 -10.247 -0.477 1.00 0.00 C ATOM 1883 O PRO B 101 -8.464 -11.442 -0.179 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.917 -8.790 0.868 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.883 -7.330 1.145 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.779 -6.782 0.290 1.00 0.00 C ATOM 0 HA PRO B 101 -7.954 -9.615 1.466 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.546 -9.015 0.006 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.326 -9.344 1.713 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.837 -6.862 0.900 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.694 -7.136 2.201 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.138 -6.497 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.328 -5.894 0.733 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.216 -9.825 -1.727 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.123 -10.763 -2.839 1.00 0.00 C ATOM 1896 C LYS B 102 -6.678 -11.216 -3.081 1.00 0.00 C ATOM 1897 O LYS B 102 -6.410 -11.965 -4.024 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.703 -10.147 -4.119 1.00 0.00 C ATOM 1899 CG LYS B 102 -7.789 -9.131 -4.779 1.00 0.00 C ATOM 1900 CD LYS B 102 -7.968 -9.103 -6.290 1.00 0.00 C ATOM 1901 CE LYS B 102 -7.632 -10.446 -6.926 1.00 0.00 C ATOM 1902 NZ LYS B 102 -6.264 -10.912 -6.566 1.00 0.00 N ATOM 0 H LYS B 102 -8.149 -8.843 -1.995 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.710 -11.642 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.917 -10.945 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -9.653 -9.667 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.992 -8.141 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.752 -9.367 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.997 -8.835 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.330 -8.329 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.363 -11.190 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.712 -10.363 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -5.906 -11.544 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -5.631 -10.092 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -6.299 -11.426 -5.662 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.746 -10.737 -2.262 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.340 -11.119 -2.403 1.00 0.00 C ATOM 1918 C PHE B 103 -3.796 -11.705 -1.103 1.00 0.00 C ATOM 1919 O PHE B 103 -2.973 -12.620 -1.122 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.484 -9.921 -2.826 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.453 -9.678 -4.311 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.090 -8.578 -4.856 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.780 -10.543 -5.160 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.061 -8.340 -6.215 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.748 -10.310 -6.524 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.390 -9.205 -7.050 1.00 0.00 C ATOM 0 H PHE B 103 -5.935 -10.088 -1.498 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.288 -11.881 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.861 -9.026 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.464 -10.075 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.618 -7.895 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -2.276 -11.407 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.564 -7.476 -6.623 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.222 -10.991 -7.177 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.365 -9.020 -8.114 1.00 0.00 H new