USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 98 GLN : amide:sc= -0.292 X(o=0.45,f=0.14) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -148:sc= 0.741 (180deg=-0.114) USER MOD Set 2.1: B 56 SER OG : rot 150:sc= -0.216 USER MOD Set 2.2: B 64 GLN : amide:sc= -3.34! C(o=-3.6!,f=-4.5!) USER MOD Set 3.1: B 54 LYS NZ :NH3+ 158:sc= 1 (180deg=-0.83) USER MOD Set 3.2: B 66 GLN : amide:sc= -1.53! C(o=-3.8!,f=-14!) USER MOD Set 3.3: B 76 ASN : amide:sc= -3.26 K(o=-3.8,f=-5.2!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot 180:sc= -1.05 USER MOD Set 5.1: B 13 LYS NZ :NH3+ 137:sc= -0.153! (180deg=-4.76!) USER MOD Set 5.2: B 81 ASN : amide:sc= -1.3! C(o=-0.28!,f=-5.2!) USER MOD Set 5.3: B 84 THR OG1 : rot 34:sc= 1.18 USER MOD Single : A 404 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -177:sc= -0.479! (180deg=-0.703!) USER MOD Single : B 17 GLN : amide:sc= -3! C(o=-3!,f=-2.9!) USER MOD Single : B 18 LYS NZ :NH3+ 158:sc= -0.0174 (180deg=-0.268) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.682 F(o=-1.8!,f=-0.68) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -120:sc= -2.21 (180deg=-5.95!) USER MOD Single : B 38 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.24) USER MOD Single : B 42 THR OG1 : rot 180:sc= -0.735 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-3!) USER MOD Single : B 46 MET CE :methyl -143:sc= -0.496 (180deg=-1.71!) USER MOD Single : B 47 TYR OH : rot -33:sc= 1.1 USER MOD Single : B 53 GLN : amide:sc= -2.01 K(o=-2,f=-3.4) USER MOD Single : B 60 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.07) USER MOD Single : B 62 LYS NZ :NH3+ -142:sc= 1.05 (180deg=0.651) USER MOD Single : B 70 HIS : no HE2:sc= -5.59! C(o=-5.6!,f=-8.8!) USER MOD Single : B 74 THR OG1 : rot 46:sc= 0.0355 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-2.2) USER MOD Single : B 80 SER OG : rot 147:sc= 0.912 USER MOD Single : B 83 SER OG : rot 75:sc= 1.24 USER MOD Single : B 87 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.19) USER MOD Single : B 93 LYS NZ :NH3+ 171:sc= 2.86 (180deg=2.55) USER MOD Single : B 97 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.234 13.067 12.015 1.00 0.00 N ATOM 102 CA GLU A 399 -0.052 12.648 12.548 1.00 0.00 C ATOM 103 C GLU A 399 -0.440 11.282 12.035 1.00 0.00 C ATOM 104 O GLU A 399 -0.175 10.950 10.881 1.00 0.00 O ATOM 105 CB GLU A 399 -1.127 13.642 12.148 1.00 0.00 C ATOM 106 CG GLU A 399 -1.635 14.488 13.289 1.00 0.00 C ATOM 107 CD GLU A 399 -2.297 15.757 12.799 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.520 15.896 12.988 1.00 0.00 O ATOM 109 OE2 GLU A 399 -1.595 16.602 12.194 1.00 0.00 O ATOM 0 HA GLU A 399 0.038 12.605 13.633 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -0.731 14.297 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -1.965 13.099 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.347 13.912 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.806 14.743 13.949 1.00 0.00 H new ATOM 116 N ASP A 400 -1.082 10.504 12.895 1.00 0.00 N ATOM 117 CA ASP A 400 -1.531 9.170 12.537 1.00 0.00 C ATOM 118 C ASP A 400 -2.184 8.497 13.741 1.00 0.00 C ATOM 119 O ASP A 400 -1.591 7.648 14.398 1.00 0.00 O ATOM 120 CB ASP A 400 -0.374 8.307 12.014 1.00 0.00 C ATOM 121 CG ASP A 400 0.868 8.341 12.895 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.645 9.310 12.805 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.073 7.403 13.687 1.00 0.00 O ATOM 0 H ASP A 400 -1.304 10.778 13.852 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.263 9.268 11.736 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.715 7.276 11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.106 8.644 11.012 1.00 0.00 H new ATOM 128 N ASP A 401 -3.409 8.884 14.030 1.00 0.00 N ATOM 129 CA ASP A 401 -4.111 8.342 15.195 1.00 0.00 C ATOM 130 C ASP A 401 -5.575 8.041 14.911 1.00 0.00 C ATOM 131 O ASP A 401 -6.028 6.920 15.129 1.00 0.00 O ATOM 132 CB ASP A 401 -3.980 9.315 16.368 1.00 0.00 C ATOM 133 CG ASP A 401 -3.924 10.759 15.901 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.992 11.386 15.770 1.00 0.00 O ATOM 135 OD2 ASP A 401 -2.812 11.258 15.620 1.00 0.00 O ATOM 0 H ASP A 401 -3.942 9.563 13.487 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.644 7.391 15.449 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.825 9.184 17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -3.079 9.081 16.935 1.00 0.00 H new ATOM 140 N ASP A 402 -6.311 9.035 14.418 1.00 0.00 N ATOM 141 CA ASP A 402 -7.734 8.866 14.085 1.00 0.00 C ATOM 142 C ASP A 402 -7.895 7.967 12.864 1.00 0.00 C ATOM 143 O ASP A 402 -8.973 7.849 12.286 1.00 0.00 O ATOM 144 CB ASP A 402 -8.401 10.219 13.822 1.00 0.00 C ATOM 145 CG ASP A 402 -7.568 11.122 12.935 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.997 10.633 11.934 1.00 0.00 O ATOM 147 OD2 ASP A 402 -7.461 12.324 13.253 1.00 0.00 O ATOM 0 H ASP A 402 -5.949 9.971 14.238 1.00 0.00 H new ATOM 0 HA ASP A 402 -8.222 8.398 14.940 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.373 10.055 13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.584 10.720 14.773 1.00 0.00 H new ATOM 152 N PHE A 403 -6.795 7.338 12.501 1.00 0.00 N ATOM 153 CA PHE A 403 -6.711 6.433 11.394 1.00 0.00 C ATOM 154 C PHE A 403 -7.725 5.297 11.541 1.00 0.00 C ATOM 155 O PHE A 403 -7.740 4.602 12.553 1.00 0.00 O ATOM 156 CB PHE A 403 -5.308 5.875 11.401 1.00 0.00 C ATOM 157 CG PHE A 403 -4.422 6.345 10.305 1.00 0.00 C ATOM 158 CD1 PHE A 403 -3.148 6.795 10.585 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.838 6.285 8.997 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.304 7.177 9.569 1.00 0.00 C ATOM 161 CE2 PHE A 403 -4.004 6.674 7.979 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.733 7.117 8.265 1.00 0.00 C ATOM 0 H PHE A 403 -5.909 7.454 12.992 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.933 6.947 10.459 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.842 6.126 12.354 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.369 4.788 11.353 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.811 6.848 11.610 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.831 5.928 8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.306 7.523 9.795 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.345 6.633 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.073 7.417 7.465 1.00 0.00 H new ATOM 172 N ASN A 404 -8.544 5.098 10.524 1.00 0.00 N ATOM 173 CA ASN A 404 -9.574 4.060 10.551 1.00 0.00 C ATOM 174 C ASN A 404 -9.266 2.970 9.536 1.00 0.00 C ATOM 175 O ASN A 404 -9.131 3.254 8.347 1.00 0.00 O ATOM 176 CB ASN A 404 -10.946 4.665 10.232 1.00 0.00 C ATOM 177 CG ASN A 404 -11.658 5.220 11.450 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.461 4.536 12.080 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.376 6.471 11.784 1.00 0.00 N ATOM 0 H ASN A 404 -8.520 5.642 9.662 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.587 3.626 11.551 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.822 5.462 9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.573 3.902 9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.832 6.899 12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.703 7.006 11.235 1.00 0.00 H new ATOM 361 N VAL B 8 -0.497 -0.130 -13.457 1.00 0.00 N ATOM 362 CA VAL B 8 -1.019 0.845 -12.519 1.00 0.00 C ATOM 363 C VAL B 8 -2.479 1.150 -12.786 1.00 0.00 C ATOM 364 O VAL B 8 -2.848 1.580 -13.876 1.00 0.00 O ATOM 365 CB VAL B 8 -0.212 2.148 -12.588 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.723 3.143 -11.560 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.264 1.853 -12.389 1.00 0.00 C ATOM 0 HA VAL B 8 -0.930 0.411 -11.523 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.339 2.597 -13.573 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.140 4.062 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.772 3.365 -11.758 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.624 2.717 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.831 2.783 -12.439 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.414 1.389 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.608 1.176 -13.170 1.00 0.00 H new ATOM 377 N LEU B 9 -3.304 0.922 -11.782 1.00 0.00 N ATOM 378 CA LEU B 9 -4.725 1.182 -11.900 1.00 0.00 C ATOM 379 C LEU B 9 -5.069 2.540 -11.305 1.00 0.00 C ATOM 380 O LEU B 9 -6.005 3.205 -11.745 1.00 0.00 O ATOM 381 CB LEU B 9 -5.535 0.090 -11.197 1.00 0.00 C ATOM 382 CG LEU B 9 -5.075 -1.346 -11.458 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.830 -2.313 -10.559 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.271 -1.716 -12.921 1.00 0.00 C ATOM 0 H LEU B 9 -3.014 0.557 -10.875 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.981 1.183 -12.959 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.503 0.273 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.577 0.180 -11.505 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.012 -1.414 -11.229 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.493 -3.331 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.640 -2.063 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.898 -2.239 -10.762 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.938 -2.741 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.327 -1.632 -13.179 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.689 -1.041 -13.548 1.00 0.00 H new ATOM 396 N LEU B 10 -4.307 2.949 -10.303 1.00 0.00 N ATOM 397 CA LEU B 10 -4.546 4.222 -9.645 1.00 0.00 C ATOM 398 C LEU B 10 -3.269 5.031 -9.499 1.00 0.00 C ATOM 399 O LEU B 10 -2.266 4.535 -8.988 1.00 0.00 O ATOM 400 CB LEU B 10 -5.148 3.991 -8.267 1.00 0.00 C ATOM 401 CG LEU B 10 -5.575 5.266 -7.534 1.00 0.00 C ATOM 402 CD1 LEU B 10 -6.979 5.683 -7.918 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.484 5.078 -6.035 1.00 0.00 C ATOM 0 H LEU B 10 -3.520 2.419 -9.929 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.239 4.785 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.015 3.339 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.421 3.461 -7.652 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.890 6.059 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.249 6.591 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.022 5.871 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.678 4.887 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.792 5.996 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.138 4.261 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.456 4.841 -5.760 1.00 0.00 H new ATOM 415 N ILE B 11 -3.309 6.270 -9.958 1.00 0.00 N ATOM 416 CA ILE B 11 -2.172 7.161 -9.835 1.00 0.00 C ATOM 417 C ILE B 11 -2.519 8.268 -8.861 1.00 0.00 C ATOM 418 O ILE B 11 -3.483 9.008 -9.061 1.00 0.00 O ATOM 419 CB ILE B 11 -1.740 7.787 -11.175 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.377 6.692 -12.182 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.558 8.727 -10.947 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.054 7.215 -13.565 1.00 0.00 C ATOM 0 H ILE B 11 -4.120 6.681 -10.420 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.333 6.563 -9.479 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.570 8.362 -11.586 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.519 6.135 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.207 5.989 -12.255 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.255 9.168 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.850 9.518 -10.257 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.276 8.167 -10.525 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.807 6.380 -14.221 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.918 7.747 -13.964 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.204 7.895 -13.507 1.00 0.00 H new ATOM 434 N VAL B 12 -1.739 8.367 -7.810 1.00 0.00 N ATOM 435 CA VAL B 12 -1.952 9.359 -6.788 1.00 0.00 C ATOM 436 C VAL B 12 -0.830 10.375 -6.838 1.00 0.00 C ATOM 437 O VAL B 12 0.296 10.052 -7.212 1.00 0.00 O ATOM 438 CB VAL B 12 -2.011 8.710 -5.397 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.594 9.662 -4.378 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.819 7.423 -5.446 1.00 0.00 C ATOM 0 H VAL B 12 -0.937 7.759 -7.641 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.906 9.853 -6.971 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.992 8.471 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.624 9.177 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.974 10.557 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.605 9.940 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.851 6.976 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.834 7.643 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.352 6.727 -6.143 1.00 0.00 H new ATOM 450 N LYS B 13 -1.133 11.593 -6.462 1.00 0.00 N ATOM 451 CA LYS B 13 -0.148 12.655 -6.494 1.00 0.00 C ATOM 452 C LYS B 13 0.144 13.159 -5.101 1.00 0.00 C ATOM 453 O LYS B 13 -0.517 12.751 -4.152 1.00 0.00 O ATOM 454 CB LYS B 13 -0.631 13.801 -7.373 1.00 0.00 C ATOM 455 CG LYS B 13 -0.719 13.425 -8.838 1.00 0.00 C ATOM 456 CD LYS B 13 -1.984 13.963 -9.481 1.00 0.00 C ATOM 457 CE LYS B 13 -3.232 13.234 -8.995 1.00 0.00 C ATOM 458 NZ LYS B 13 -3.782 13.818 -7.736 1.00 0.00 N ATOM 0 H LYS B 13 -2.054 11.878 -6.129 1.00 0.00 H new ATOM 0 HA LYS B 13 0.772 12.250 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.612 14.128 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.046 14.648 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.151 13.814 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.694 12.340 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.078 15.026 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.908 13.867 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.995 13.270 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.994 12.183 -8.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.818 13.881 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.526 13.211 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.386 14.769 -7.593 1.00 0.00 H new ATOM 472 N LYS B 14 1.090 14.096 -5.036 1.00 0.00 N ATOM 473 CA LYS B 14 1.566 14.721 -3.796 1.00 0.00 C ATOM 474 C LYS B 14 1.218 13.924 -2.538 1.00 0.00 C ATOM 475 O LYS B 14 0.337 14.296 -1.765 1.00 0.00 O ATOM 476 CB LYS B 14 1.001 16.132 -3.683 1.00 0.00 C ATOM 477 CG LYS B 14 1.793 17.174 -4.453 1.00 0.00 C ATOM 478 CD LYS B 14 1.565 18.570 -3.892 1.00 0.00 C ATOM 479 CE LYS B 14 2.491 18.865 -2.719 1.00 0.00 C ATOM 480 NZ LYS B 14 2.288 17.921 -1.587 1.00 0.00 N ATOM 0 H LYS B 14 1.562 14.453 -5.867 1.00 0.00 H new ATOM 0 HA LYS B 14 2.654 14.746 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.027 16.131 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.969 16.417 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.855 16.932 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.503 17.150 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.726 19.308 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.528 18.668 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.527 18.809 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.322 19.885 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.904 18.192 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.295 17.954 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.524 16.956 -1.894 1.00 0.00 H new ATOM 494 N VAL B 15 1.915 12.816 -2.367 1.00 0.00 N ATOM 495 CA VAL B 15 1.730 11.944 -1.222 1.00 0.00 C ATOM 496 C VAL B 15 3.033 11.841 -0.444 1.00 0.00 C ATOM 497 O VAL B 15 4.069 11.491 -1.001 1.00 0.00 O ATOM 498 CB VAL B 15 1.263 10.533 -1.653 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.480 9.514 -0.541 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.201 10.557 -2.050 1.00 0.00 C ATOM 0 H VAL B 15 2.628 12.494 -3.021 1.00 0.00 H new ATOM 0 HA VAL B 15 0.954 12.375 -0.589 1.00 0.00 H new ATOM 0 HB VAL B 15 1.863 10.235 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.142 8.533 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.540 9.467 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.913 9.812 0.341 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.513 9.557 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.802 10.886 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.341 11.246 -2.883 1.00 0.00 H new ATOM 510 N ARG B 16 2.972 12.157 0.833 1.00 0.00 N ATOM 511 CA ARG B 16 4.132 12.106 1.696 1.00 0.00 C ATOM 512 C ARG B 16 4.288 10.734 2.328 1.00 0.00 C ATOM 513 O ARG B 16 3.400 10.250 3.023 1.00 0.00 O ATOM 514 CB ARG B 16 4.027 13.157 2.800 1.00 0.00 C ATOM 515 CG ARG B 16 4.631 14.501 2.441 1.00 0.00 C ATOM 516 CD ARG B 16 4.466 15.503 3.574 1.00 0.00 C ATOM 517 NE ARG B 16 4.428 14.851 4.884 1.00 0.00 N ATOM 518 CZ ARG B 16 4.587 15.484 6.044 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.838 16.785 6.083 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.487 14.809 7.172 1.00 0.00 N ATOM 0 H ARG B 16 2.117 12.456 1.301 1.00 0.00 H new ATOM 0 HA ARG B 16 5.006 12.311 1.079 1.00 0.00 H new ATOM 0 HB2 ARG B 16 2.976 13.300 3.051 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.520 12.778 3.695 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.690 14.377 2.214 1.00 0.00 H new ATOM 0 HG3 ARG B 16 4.155 14.887 1.540 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.289 16.217 3.549 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.547 16.070 3.425 1.00 0.00 H new ATOM 0 HE ARG B 16 4.269 13.844 4.910 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.912 17.316 5.215 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.957 17.255 6.981 1.00 0.00 H new ATOM 0 HH21 ARG B 16 4.289 13.809 7.152 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.608 15.287 8.065 1.00 0.00 H new ATOM 534 N GLN B 17 5.409 10.110 2.058 1.00 0.00 N ATOM 535 CA GLN B 17 5.726 8.819 2.627 1.00 0.00 C ATOM 536 C GLN B 17 7.007 8.969 3.418 1.00 0.00 C ATOM 537 O GLN B 17 8.052 9.295 2.847 1.00 0.00 O ATOM 538 CB GLN B 17 5.885 7.760 1.535 1.00 0.00 C ATOM 539 CG GLN B 17 6.455 6.436 2.028 1.00 0.00 C ATOM 540 CD GLN B 17 5.618 5.798 3.122 1.00 0.00 C ATOM 541 OE1 GLN B 17 4.617 5.147 2.847 1.00 0.00 O ATOM 542 NE2 GLN B 17 6.042 5.955 4.366 1.00 0.00 N ATOM 0 H GLN B 17 6.128 10.481 1.438 1.00 0.00 H new ATOM 0 HA GLN B 17 4.915 8.487 3.275 1.00 0.00 H new ATOM 0 HB2 GLN B 17 4.913 7.577 1.078 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.535 8.154 0.754 1.00 0.00 H new ATOM 0 HG2 GLN B 17 6.532 5.745 1.188 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.466 6.599 2.401 1.00 0.00 H new ATOM 0 HE21 GLN B 17 6.880 6.505 4.553 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.530 5.526 5.137 1.00 0.00 H new ATOM 551 N LYS B 18 6.908 8.784 4.731 1.00 0.00 N ATOM 552 CA LYS B 18 8.056 8.913 5.618 1.00 0.00 C ATOM 553 C LYS B 18 8.471 10.386 5.682 1.00 0.00 C ATOM 554 O LYS B 18 9.656 10.719 5.730 1.00 0.00 O ATOM 555 CB LYS B 18 9.207 8.015 5.133 1.00 0.00 C ATOM 556 CG LYS B 18 9.942 7.269 6.239 1.00 0.00 C ATOM 557 CD LYS B 18 10.909 8.168 6.988 1.00 0.00 C ATOM 558 CE LYS B 18 10.306 8.664 8.290 1.00 0.00 C ATOM 559 NZ LYS B 18 10.164 7.570 9.282 1.00 0.00 N ATOM 0 H LYS B 18 6.038 8.543 5.205 1.00 0.00 H new ATOM 0 HA LYS B 18 7.793 8.583 6.623 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.809 7.288 4.425 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.924 8.629 4.589 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.217 6.854 6.939 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.487 6.429 5.809 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.829 7.622 7.196 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.177 9.019 6.362 1.00 0.00 H new ATOM 0 HE2 LYS B 18 10.935 9.452 8.705 1.00 0.00 H new ATOM 0 HE3 LYS B 18 9.329 9.106 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 10.113 7.974 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 9.295 7.034 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 10.985 6.934 9.218 1.00 0.00 H new ATOM 573 N LYS B 19 7.454 11.255 5.674 1.00 0.00 N ATOM 574 CA LYS B 19 7.626 12.707 5.731 1.00 0.00 C ATOM 575 C LYS B 19 8.267 13.244 4.445 1.00 0.00 C ATOM 576 O LYS B 19 8.863 14.321 4.438 1.00 0.00 O ATOM 577 CB LYS B 19 8.446 13.117 6.966 1.00 0.00 C ATOM 578 CG LYS B 19 7.782 14.203 7.806 1.00 0.00 C ATOM 579 CD LYS B 19 7.283 13.670 9.146 1.00 0.00 C ATOM 580 CE LYS B 19 8.152 14.135 10.300 1.00 0.00 C ATOM 581 NZ LYS B 19 9.440 13.395 10.354 1.00 0.00 N ATOM 0 H LYS B 19 6.478 10.964 5.627 1.00 0.00 H new ATOM 0 HA LYS B 19 6.636 13.153 5.819 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.613 12.238 7.589 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.425 13.468 6.641 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.493 15.011 7.980 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.945 14.628 7.252 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.257 14.000 9.308 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.267 12.580 9.120 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.350 15.202 10.199 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.614 13.998 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 10.006 13.741 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.252 12.379 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.965 13.546 9.469 1.00 0.00 H new ATOM 595 N GLN B 20 8.116 12.496 3.356 1.00 0.00 N ATOM 596 CA GLN B 20 8.667 12.886 2.060 1.00 0.00 C ATOM 597 C GLN B 20 7.571 12.882 0.994 1.00 0.00 C ATOM 598 O GLN B 20 6.950 11.854 0.750 1.00 0.00 O ATOM 599 CB GLN B 20 9.793 11.928 1.667 1.00 0.00 C ATOM 600 CG GLN B 20 10.389 12.204 0.297 1.00 0.00 C ATOM 601 CD GLN B 20 11.374 11.134 -0.137 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.159 9.908 0.318 1.00 0.00 O flip ATOM 603 NE2 GLN B 20 12.318 11.406 -0.878 1.00 0.00 N flip ATOM 0 H GLN B 20 7.612 11.609 3.345 1.00 0.00 H new ATOM 0 HA GLN B 20 9.070 13.896 2.136 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.584 11.987 2.415 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.411 10.907 1.687 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.586 12.273 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.892 13.171 0.312 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.449 12.363 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.969 10.675 -1.163 1.00 0.00 H new ATOM 612 N ASP B 21 7.341 14.031 0.365 1.00 0.00 N ATOM 613 CA ASP B 21 6.299 14.166 -0.662 1.00 0.00 C ATOM 614 C ASP B 21 6.669 13.423 -1.949 1.00 0.00 C ATOM 615 O ASP B 21 7.851 13.228 -2.248 1.00 0.00 O ATOM 616 CB ASP B 21 6.046 15.646 -0.967 1.00 0.00 C ATOM 617 CG ASP B 21 4.573 16.013 -0.916 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.132 16.615 0.089 1.00 0.00 O ATOM 619 OD2 ASP B 21 3.843 15.720 -1.881 1.00 0.00 O ATOM 0 H ASP B 21 7.862 14.889 0.546 1.00 0.00 H new ATOM 0 HA ASP B 21 5.388 13.715 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.594 16.259 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.441 15.881 -1.955 1.00 0.00 H new ATOM 624 N GLY B 22 5.651 13.008 -2.702 1.00 0.00 N ATOM 625 CA GLY B 22 5.873 12.286 -3.944 1.00 0.00 C ATOM 626 C GLY B 22 4.577 11.866 -4.621 1.00 0.00 C ATOM 627 O GLY B 22 3.535 12.469 -4.400 1.00 0.00 O ATOM 0 H GLY B 22 4.669 13.161 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.447 12.913 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.475 11.400 -3.742 1.00 0.00 H new ATOM 631 N ALA B 23 4.637 10.814 -5.427 1.00 0.00 N ATOM 632 CA ALA B 23 3.465 10.312 -6.142 1.00 0.00 C ATOM 633 C ALA B 23 3.292 8.818 -5.895 1.00 0.00 C ATOM 634 O ALA B 23 4.247 8.043 -5.993 1.00 0.00 O ATOM 635 CB ALA B 23 3.592 10.596 -7.631 1.00 0.00 C ATOM 0 H ALA B 23 5.492 10.286 -5.605 1.00 0.00 H new ATOM 0 HA ALA B 23 2.581 10.828 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.712 10.216 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.672 11.671 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.483 10.104 -8.021 1.00 0.00 H new ATOM 641 N LEU B 24 2.072 8.423 -5.578 1.00 0.00 N ATOM 642 CA LEU B 24 1.751 7.030 -5.295 1.00 0.00 C ATOM 643 C LEU B 24 1.132 6.362 -6.523 1.00 0.00 C ATOM 644 O LEU B 24 0.388 6.989 -7.265 1.00 0.00 O ATOM 645 CB LEU B 24 0.786 6.965 -4.110 1.00 0.00 C ATOM 646 CG LEU B 24 0.339 5.561 -3.711 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.254 4.960 -2.672 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.091 5.579 -3.205 1.00 0.00 C ATOM 0 H LEU B 24 1.275 9.056 -5.509 1.00 0.00 H new ATOM 0 HA LEU B 24 2.667 6.495 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.261 7.436 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.098 7.556 -4.349 1.00 0.00 H new ATOM 0 HG LEU B 24 0.390 4.936 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.904 3.961 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.266 4.898 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.253 5.587 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.391 4.569 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.161 6.232 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.750 5.949 -3.990 1.00 0.00 H new ATOM 660 N TYR B 25 1.455 5.099 -6.744 1.00 0.00 N ATOM 661 CA TYR B 25 0.923 4.351 -7.878 1.00 0.00 C ATOM 662 C TYR B 25 0.458 2.977 -7.411 1.00 0.00 C ATOM 663 O TYR B 25 1.225 2.226 -6.815 1.00 0.00 O ATOM 664 CB TYR B 25 1.985 4.186 -8.976 1.00 0.00 C ATOM 665 CG TYR B 25 2.514 5.484 -9.549 1.00 0.00 C ATOM 666 CD1 TYR B 25 2.040 5.974 -10.758 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.498 6.209 -8.888 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.530 7.152 -11.290 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.990 7.388 -9.412 1.00 0.00 C ATOM 670 CZ TYR B 25 3.504 7.854 -10.613 1.00 0.00 C ATOM 671 OH TYR B 25 3.993 9.027 -11.140 1.00 0.00 O ATOM 0 H TYR B 25 2.088 4.564 -6.150 1.00 0.00 H new ATOM 0 HA TYR B 25 0.082 4.907 -8.292 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.821 3.617 -8.570 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.560 3.594 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.277 5.427 -11.291 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.885 5.844 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.151 7.521 -12.232 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.752 7.941 -8.883 1.00 0.00 H new ATOM 0 HH TYR B 25 4.673 9.397 -10.539 1.00 0.00 H new ATOM 681 N LEU B 26 -0.793 2.648 -7.671 1.00 0.00 N ATOM 682 CA LEU B 26 -1.326 1.362 -7.250 1.00 0.00 C ATOM 683 C LEU B 26 -1.464 0.410 -8.424 1.00 0.00 C ATOM 684 O LEU B 26 -2.308 0.609 -9.299 1.00 0.00 O ATOM 685 CB LEU B 26 -2.680 1.532 -6.563 1.00 0.00 C ATOM 686 CG LEU B 26 -2.708 2.558 -5.434 1.00 0.00 C ATOM 687 CD1 LEU B 26 -3.985 2.445 -4.638 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.531 2.391 -4.512 1.00 0.00 C ATOM 0 H LEU B 26 -1.455 3.245 -8.167 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.618 0.935 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.417 1.820 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.991 0.567 -6.164 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.656 3.545 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.982 3.186 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.839 2.620 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.058 1.447 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.581 3.137 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.551 1.393 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.607 2.521 -5.075 1.00 0.00 H new ATOM 700 N MET B 27 -0.627 -0.612 -8.441 1.00 0.00 N ATOM 701 CA MET B 27 -0.660 -1.615 -9.488 1.00 0.00 C ATOM 702 C MET B 27 -1.608 -2.726 -9.087 1.00 0.00 C ATOM 703 O MET B 27 -1.923 -2.881 -7.912 1.00 0.00 O ATOM 704 CB MET B 27 0.726 -2.201 -9.754 1.00 0.00 C ATOM 705 CG MET B 27 1.744 -1.187 -10.243 1.00 0.00 C ATOM 706 SD MET B 27 2.335 -0.096 -8.938 1.00 0.00 S ATOM 707 CE MET B 27 3.476 0.915 -9.873 1.00 0.00 C ATOM 0 H MET B 27 0.091 -0.769 -7.733 1.00 0.00 H new ATOM 0 HA MET B 27 -1.003 -1.135 -10.405 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.097 -2.659 -8.837 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.637 -2.996 -10.494 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.592 -1.714 -10.680 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.298 -0.587 -11.036 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.478 0.813 -9.456 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.481 0.591 -10.914 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.166 1.958 -9.820 1.00 0.00 H new ATOM 717 N ALA B 28 -2.020 -3.519 -10.057 1.00 0.00 N ATOM 718 CA ALA B 28 -2.962 -4.609 -9.824 1.00 0.00 C ATOM 719 C ALA B 28 -2.450 -5.636 -8.813 1.00 0.00 C ATOM 720 O ALA B 28 -3.241 -6.341 -8.190 1.00 0.00 O ATOM 721 CB ALA B 28 -3.291 -5.294 -11.141 1.00 0.00 C ATOM 0 H ALA B 28 -1.716 -3.431 -11.027 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.861 -4.167 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.995 -6.107 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.737 -4.572 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.378 -5.695 -11.581 1.00 0.00 H new ATOM 727 N GLU B 29 -1.138 -5.725 -8.644 1.00 0.00 N ATOM 728 CA GLU B 29 -0.576 -6.701 -7.721 1.00 0.00 C ATOM 729 C GLU B 29 0.164 -6.051 -6.550 1.00 0.00 C ATOM 730 O GLU B 29 0.460 -6.719 -5.549 1.00 0.00 O ATOM 731 CB GLU B 29 0.396 -7.622 -8.465 1.00 0.00 C ATOM 732 CG GLU B 29 0.064 -7.825 -9.935 1.00 0.00 C ATOM 733 CD GLU B 29 0.852 -6.890 -10.835 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.999 -7.234 -11.195 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.343 -5.800 -11.169 1.00 0.00 O ATOM 0 H GLU B 29 -0.452 -5.143 -9.125 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.415 -7.267 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.402 -7.210 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.409 -8.593 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.274 -8.858 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.003 -7.663 -10.091 1.00 0.00 H new ATOM 742 N ARG B 30 0.434 -4.752 -6.630 1.00 0.00 N ATOM 743 CA ARG B 30 1.199 -4.106 -5.569 1.00 0.00 C ATOM 744 C ARG B 30 1.006 -2.600 -5.540 1.00 0.00 C ATOM 745 O ARG B 30 0.483 -2.008 -6.474 1.00 0.00 O ATOM 746 CB ARG B 30 2.690 -4.418 -5.744 1.00 0.00 C ATOM 747 CG ARG B 30 3.334 -3.711 -6.930 1.00 0.00 C ATOM 748 CD ARG B 30 4.609 -4.413 -7.373 1.00 0.00 C ATOM 749 NE ARG B 30 4.376 -5.832 -7.649 1.00 0.00 N ATOM 750 CZ ARG B 30 3.877 -6.293 -8.796 1.00 0.00 C ATOM 751 NH1 ARG B 30 3.653 -5.472 -9.811 1.00 0.00 N ATOM 752 NH2 ARG B 30 3.630 -7.588 -8.944 1.00 0.00 N ATOM 0 H ARG B 30 0.145 -4.141 -7.394 1.00 0.00 H new ATOM 0 HA ARG B 30 0.830 -4.503 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.219 -4.136 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.814 -5.494 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.629 -3.676 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.560 -2.679 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.000 -3.928 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.368 -4.313 -6.598 1.00 0.00 H new ATOM 0 HE ARG B 30 4.609 -6.507 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.863 -4.478 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.271 -5.834 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.822 -8.235 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.248 -7.937 -9.823 1.00 0.00 H new ATOM 766 N ILE B 31 1.444 -2.000 -4.450 1.00 0.00 N ATOM 767 CA ILE B 31 1.366 -0.565 -4.265 1.00 0.00 C ATOM 768 C ILE B 31 2.779 0.010 -4.272 1.00 0.00 C ATOM 769 O ILE B 31 3.621 -0.373 -3.452 1.00 0.00 O ATOM 770 CB ILE B 31 0.642 -0.193 -2.944 1.00 0.00 C ATOM 771 CG1 ILE B 31 1.031 1.219 -2.490 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.943 -1.215 -1.854 1.00 0.00 C ATOM 773 CD1 ILE B 31 0.216 1.729 -1.322 1.00 0.00 C ATOM 0 H ILE B 31 1.866 -2.497 -3.665 1.00 0.00 H new ATOM 0 HA ILE B 31 0.783 -0.140 -5.082 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.432 -0.205 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.086 1.225 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.916 1.905 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.425 -0.933 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.603 -2.200 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.017 -1.244 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.548 2.733 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.838 1.756 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.350 1.066 -0.468 1.00 0.00 H new ATOM 785 N ALA B 32 3.047 0.892 -5.216 1.00 0.00 N ATOM 786 CA ALA B 32 4.353 1.509 -5.330 1.00 0.00 C ATOM 787 C ALA B 32 4.238 3.016 -5.192 1.00 0.00 C ATOM 788 O ALA B 32 3.203 3.597 -5.492 1.00 0.00 O ATOM 789 CB ALA B 32 5.002 1.142 -6.656 1.00 0.00 C ATOM 0 H ALA B 32 2.373 1.198 -5.918 1.00 0.00 H new ATOM 0 HA ALA B 32 4.985 1.135 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.982 1.614 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA B 32 5.115 0.060 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.374 1.489 -7.477 1.00 0.00 H new ATOM 795 N TRP B 33 5.287 3.647 -4.713 1.00 0.00 N ATOM 796 CA TRP B 33 5.283 5.086 -4.545 1.00 0.00 C ATOM 797 C TRP B 33 6.683 5.639 -4.784 1.00 0.00 C ATOM 798 O TRP B 33 7.678 5.029 -4.383 1.00 0.00 O ATOM 799 CB TRP B 33 4.741 5.445 -3.150 1.00 0.00 C ATOM 800 CG TRP B 33 4.920 6.880 -2.752 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.981 7.861 -2.837 1.00 0.00 C ATOM 802 CD2 TRP B 33 6.091 7.496 -2.196 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.491 9.048 -2.390 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.785 8.852 -1.986 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.367 7.036 -1.859 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.708 9.750 -1.458 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.281 7.927 -1.333 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.948 9.272 -1.137 1.00 0.00 C ATOM 0 H TRP B 33 6.154 3.188 -4.433 1.00 0.00 H new ATOM 0 HA TRP B 33 4.623 5.547 -5.280 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.679 5.204 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.235 4.814 -2.411 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.975 7.722 -3.205 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.989 9.936 -2.362 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.634 6.000 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.453 10.789 -1.307 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.269 7.580 -1.068 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.685 9.945 -0.724 1.00 0.00 H new ATOM 819 N ALA B 34 6.751 6.775 -5.457 1.00 0.00 N ATOM 820 CA ALA B 34 8.020 7.415 -5.762 1.00 0.00 C ATOM 821 C ALA B 34 8.025 8.846 -5.249 1.00 0.00 C ATOM 822 O ALA B 34 6.992 9.511 -5.268 1.00 0.00 O ATOM 823 CB ALA B 34 8.271 7.396 -7.263 1.00 0.00 C ATOM 0 H ALA B 34 5.934 7.277 -5.805 1.00 0.00 H new ATOM 0 HA ALA B 34 8.817 6.862 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.224 7.878 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.298 6.365 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.470 7.932 -7.773 1.00 0.00 H new ATOM 829 N PRO B 35 9.176 9.331 -4.760 1.00 0.00 N ATOM 830 CA PRO B 35 9.301 10.700 -4.255 1.00 0.00 C ATOM 831 C PRO B 35 9.025 11.731 -5.347 1.00 0.00 C ATOM 832 O PRO B 35 9.105 11.420 -6.538 1.00 0.00 O ATOM 833 CB PRO B 35 10.756 10.790 -3.783 1.00 0.00 C ATOM 834 CG PRO B 35 11.204 9.377 -3.627 1.00 0.00 C ATOM 835 CD PRO B 35 10.439 8.586 -4.647 1.00 0.00 C ATOM 0 HA PRO B 35 8.582 10.911 -3.464 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.373 11.321 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.832 11.333 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.278 9.288 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO B 35 11.003 9.013 -2.620 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.966 8.538 -5.600 1.00 0.00 H new ATOM 0 HD3 PRO B 35 10.275 7.559 -4.322 1.00 0.00 H new ATOM 843 N GLU B 36 8.706 12.952 -4.940 1.00 0.00 N ATOM 844 CA GLU B 36 8.404 14.018 -5.885 1.00 0.00 C ATOM 845 C GLU B 36 9.562 14.251 -6.850 1.00 0.00 C ATOM 846 O GLU B 36 10.724 14.383 -6.439 1.00 0.00 O ATOM 847 CB GLU B 36 8.060 15.312 -5.144 1.00 0.00 C ATOM 848 CG GLU B 36 7.390 16.356 -6.027 1.00 0.00 C ATOM 849 CD GLU B 36 6.265 15.776 -6.865 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.563 15.141 -7.902 1.00 0.00 O ATOM 851 OE2 GLU B 36 5.089 15.953 -6.488 1.00 0.00 O ATOM 0 H GLU B 36 8.650 13.229 -3.960 1.00 0.00 H new ATOM 0 HA GLU B 36 7.538 13.707 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.402 15.078 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.973 15.734 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.996 17.157 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU B 36 8.135 16.802 -6.685 1.00 0.00 H new ATOM 858 N GLY B 37 9.233 14.293 -8.134 1.00 0.00 N ATOM 859 CA GLY B 37 10.230 14.503 -9.164 1.00 0.00 C ATOM 860 C GLY B 37 11.220 13.357 -9.275 1.00 0.00 C ATOM 861 O GLY B 37 12.383 13.574 -9.616 1.00 0.00 O ATOM 0 H GLY B 37 8.281 14.184 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY B 37 9.730 14.638 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY B 37 10.772 15.425 -8.954 1.00 0.00 H new ATOM 865 N LYS B 38 10.782 12.148 -8.951 1.00 0.00 N ATOM 866 CA LYS B 38 11.648 10.976 -9.030 1.00 0.00 C ATOM 867 C LYS B 38 11.172 10.023 -10.118 1.00 0.00 C ATOM 868 O LYS B 38 9.982 9.964 -10.428 1.00 0.00 O ATOM 869 CB LYS B 38 11.707 10.243 -7.688 1.00 0.00 C ATOM 870 CG LYS B 38 13.012 10.445 -6.925 1.00 0.00 C ATOM 871 CD LYS B 38 13.047 11.786 -6.207 1.00 0.00 C ATOM 872 CE LYS B 38 13.837 12.822 -6.987 1.00 0.00 C ATOM 873 NZ LYS B 38 13.413 14.208 -6.650 1.00 0.00 N ATOM 0 H LYS B 38 9.834 11.952 -8.631 1.00 0.00 H new ATOM 0 HA LYS B 38 12.650 11.325 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.879 10.580 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS B 38 11.562 9.177 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.137 9.641 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS B 38 13.851 10.382 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.029 12.144 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS B 38 13.491 11.658 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.900 12.705 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.705 12.651 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.963 14.886 -7.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.401 14.322 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.578 14.385 -5.639 1.00 0.00 H new ATOM 887 N ASP B 39 12.110 9.284 -10.687 1.00 0.00 N ATOM 888 CA ASP B 39 11.817 8.327 -11.749 1.00 0.00 C ATOM 889 C ASP B 39 11.707 6.911 -11.194 1.00 0.00 C ATOM 890 O ASP B 39 11.081 6.040 -11.796 1.00 0.00 O ATOM 891 CB ASP B 39 12.925 8.375 -12.809 1.00 0.00 C ATOM 892 CG ASP B 39 14.276 7.928 -12.267 1.00 0.00 C ATOM 893 OD1 ASP B 39 14.573 8.201 -11.079 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.050 7.303 -13.020 1.00 0.00 O ATOM 0 H ASP B 39 13.096 9.328 -10.428 1.00 0.00 H new ATOM 0 HA ASP B 39 10.862 8.598 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP B 39 12.646 7.739 -13.649 1.00 0.00 H new ATOM 0 HB3 ASP B 39 13.011 9.391 -13.194 1.00 0.00 H new ATOM 899 N ARG B 40 12.309 6.689 -10.035 1.00 0.00 N ATOM 900 CA ARG B 40 12.306 5.374 -9.412 1.00 0.00 C ATOM 901 C ARG B 40 11.414 5.339 -8.177 1.00 0.00 C ATOM 902 O ARG B 40 11.376 6.290 -7.393 1.00 0.00 O ATOM 903 CB ARG B 40 13.735 4.967 -9.044 1.00 0.00 C ATOM 904 CG ARG B 40 14.481 6.011 -8.226 1.00 0.00 C ATOM 905 CD ARG B 40 15.956 6.050 -8.591 1.00 0.00 C ATOM 906 NE ARG B 40 16.154 6.350 -10.010 1.00 0.00 N ATOM 907 CZ ARG B 40 17.138 5.856 -10.757 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.076 5.088 -10.209 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.183 6.137 -12.053 1.00 0.00 N ATOM 0 H ARG B 40 12.807 7.405 -9.506 1.00 0.00 H new ATOM 0 HA ARG B 40 11.901 4.663 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.703 4.034 -8.482 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.293 4.769 -9.959 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.037 6.992 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.373 5.789 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.461 6.803 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.415 5.090 -8.354 1.00 0.00 H new ATOM 0 HE ARG B 40 15.491 6.982 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.043 4.875 -9.212 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.828 4.712 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG B 40 16.466 6.729 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG B 40 17.935 5.761 -12.631 1.00 0.00 H new ATOM 923 N PHE B 41 10.705 4.230 -8.011 1.00 0.00 N ATOM 924 CA PHE B 41 9.815 4.048 -6.875 1.00 0.00 C ATOM 925 C PHE B 41 10.598 3.530 -5.678 1.00 0.00 C ATOM 926 O PHE B 41 11.276 2.508 -5.769 1.00 0.00 O ATOM 927 CB PHE B 41 8.692 3.063 -7.221 1.00 0.00 C ATOM 928 CG PHE B 41 8.003 3.353 -8.526 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.317 2.626 -9.664 1.00 0.00 C ATOM 930 CD2 PHE B 41 7.044 4.347 -8.615 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.687 2.888 -10.866 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.411 4.613 -9.814 1.00 0.00 C ATOM 933 CZ PHE B 41 6.733 3.883 -10.940 1.00 0.00 C ATOM 0 H PHE B 41 10.731 3.439 -8.654 1.00 0.00 H new ATOM 0 HA PHE B 41 9.372 5.013 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.105 2.055 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.952 3.076 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.062 1.846 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.788 4.921 -7.737 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.941 2.315 -11.746 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.665 5.392 -9.870 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.239 4.090 -11.878 1.00 0.00 H new ATOM 943 N THR B 42 10.512 4.239 -4.565 1.00 0.00 N ATOM 944 CA THR B 42 11.211 3.842 -3.354 1.00 0.00 C ATOM 945 C THR B 42 10.313 2.979 -2.475 1.00 0.00 C ATOM 946 O THR B 42 10.770 2.336 -1.533 1.00 0.00 O ATOM 947 CB THR B 42 11.673 5.078 -2.565 1.00 0.00 C ATOM 948 OG1 THR B 42 10.662 6.094 -2.627 1.00 0.00 O ATOM 949 CG2 THR B 42 12.981 5.618 -3.129 1.00 0.00 C ATOM 0 H THR B 42 9.964 5.094 -4.475 1.00 0.00 H new ATOM 0 HA THR B 42 12.086 3.261 -3.646 1.00 0.00 H new ATOM 0 HB THR B 42 11.837 4.788 -1.527 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.957 6.880 -2.122 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.291 6.492 -2.557 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.751 4.849 -3.062 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.839 5.899 -4.172 1.00 0.00 H new ATOM 957 N ILE B 43 9.028 2.978 -2.796 1.00 0.00 N ATOM 958 CA ILE B 43 8.051 2.200 -2.057 1.00 0.00 C ATOM 959 C ILE B 43 7.477 1.103 -2.942 1.00 0.00 C ATOM 960 O ILE B 43 7.000 1.379 -4.041 1.00 0.00 O ATOM 961 CB ILE B 43 6.903 3.097 -1.535 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.394 3.983 -0.389 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.708 2.263 -1.091 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.890 3.209 0.814 1.00 0.00 C ATOM 0 H ILE B 43 8.637 3.513 -3.571 1.00 0.00 H new ATOM 0 HA ILE B 43 8.557 1.752 -1.202 1.00 0.00 H new ATOM 0 HB ILE B 43 6.578 3.736 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.198 4.622 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.582 4.640 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.919 2.922 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.337 1.681 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.012 1.589 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.221 3.906 1.584 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.083 2.591 1.207 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.724 2.572 0.518 1.00 0.00 H new ATOM 976 N SER B 44 7.565 -0.134 -2.480 1.00 0.00 N ATOM 977 CA SER B 44 7.040 -1.265 -3.217 1.00 0.00 C ATOM 978 C SER B 44 6.548 -2.332 -2.245 1.00 0.00 C ATOM 979 O SER B 44 7.345 -3.048 -1.640 1.00 0.00 O ATOM 980 CB SER B 44 8.117 -1.837 -4.141 1.00 0.00 C ATOM 981 OG SER B 44 7.555 -2.700 -5.118 1.00 0.00 O ATOM 0 H SER B 44 7.999 -0.378 -1.590 1.00 0.00 H new ATOM 0 HA SER B 44 6.201 -0.935 -3.829 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.646 -1.022 -4.634 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.853 -2.383 -3.551 1.00 0.00 H new ATOM 0 HG SER B 44 8.267 -3.049 -5.695 1.00 0.00 H new ATOM 987 N HIS B 45 5.238 -2.409 -2.072 1.00 0.00 N ATOM 988 CA HIS B 45 4.642 -3.393 -1.176 1.00 0.00 C ATOM 989 C HIS B 45 3.624 -4.224 -1.933 1.00 0.00 C ATOM 990 O HIS B 45 2.843 -3.689 -2.720 1.00 0.00 O ATOM 991 CB HIS B 45 3.956 -2.711 0.013 1.00 0.00 C ATOM 992 CG HIS B 45 4.852 -1.816 0.812 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.732 -2.261 1.772 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.993 -0.468 0.770 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.368 -1.195 2.273 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.956 -0.082 1.697 1.00 0.00 N ATOM 0 H HIS B 45 4.565 -1.802 -2.540 1.00 0.00 H new ATOM 0 HA HIS B 45 5.438 -4.034 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.113 -2.126 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.548 -3.478 0.671 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.874 -3.231 2.052 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.445 0.199 0.121 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.120 -1.240 3.047 1.00 0.00 H new ATOM 1004 N MET B 46 3.623 -5.525 -1.706 1.00 0.00 N ATOM 1005 CA MET B 46 2.683 -6.398 -2.379 1.00 0.00 C ATOM 1006 C MET B 46 1.414 -6.497 -1.557 1.00 0.00 C ATOM 1007 O MET B 46 1.473 -6.587 -0.334 1.00 0.00 O ATOM 1008 CB MET B 46 3.284 -7.791 -2.584 1.00 0.00 C ATOM 1009 CG MET B 46 4.416 -7.833 -3.598 1.00 0.00 C ATOM 1010 SD MET B 46 3.827 -7.931 -5.304 1.00 0.00 S ATOM 1011 CE MET B 46 2.827 -9.417 -5.229 1.00 0.00 C ATOM 0 H MET B 46 4.260 -5.997 -1.064 1.00 0.00 H new ATOM 0 HA MET B 46 2.454 -5.980 -3.359 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.653 -8.161 -1.627 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.496 -8.472 -2.906 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.034 -6.942 -3.483 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.053 -8.692 -3.389 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.933 -9.974 -6.160 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.158 -10.036 -4.395 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.781 -9.145 -5.086 1.00 0.00 H new ATOM 1021 N TYR B 47 0.264 -6.474 -2.222 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.026 -6.570 -1.531 1.00 0.00 C ATOM 1023 C TYR B 47 -1.088 -7.846 -0.698 1.00 0.00 C ATOM 1024 O TYR B 47 -1.811 -7.927 0.295 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.162 -6.554 -2.550 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.246 -5.269 -3.337 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.724 -5.263 -4.637 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.846 -4.060 -2.780 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.799 -4.094 -5.361 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -1.921 -2.885 -3.499 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.399 -2.907 -4.788 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.473 -1.740 -5.509 1.00 0.00 O ATOM 0 H TYR B 47 0.194 -6.390 -3.236 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.132 -5.714 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.031 -7.386 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.107 -6.716 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.043 -6.190 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.470 -4.040 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.170 -4.108 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.606 -1.954 -3.052 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.306 -1.929 -6.456 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.296 -8.829 -1.097 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.241 -10.103 -0.405 1.00 0.00 C ATOM 1044 C ALA B 48 0.294 -9.948 1.018 1.00 0.00 C ATOM 1045 O ALA B 48 -0.159 -10.651 1.914 1.00 0.00 O ATOM 1046 CB ALA B 48 0.617 -11.086 -1.188 1.00 0.00 C ATOM 0 H ALA B 48 0.323 -8.765 -1.905 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.258 -10.490 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.652 -12.039 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.187 -11.235 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.627 -10.689 -1.287 1.00 0.00 H new ATOM 1052 N ASP B 49 1.204 -8.988 1.220 1.00 0.00 N ATOM 1053 CA ASP B 49 1.830 -8.749 2.520 1.00 0.00 C ATOM 1054 C ASP B 49 1.059 -7.720 3.332 1.00 0.00 C ATOM 1055 O ASP B 49 1.310 -7.536 4.527 1.00 0.00 O ATOM 1056 CB ASP B 49 3.240 -8.211 2.357 1.00 0.00 C ATOM 1057 CG ASP B 49 3.936 -8.663 1.085 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.054 -9.885 0.863 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.358 -7.781 0.301 1.00 0.00 O ATOM 0 H ASP B 49 1.525 -8.357 0.486 1.00 0.00 H new ATOM 0 HA ASP B 49 1.837 -9.711 3.033 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.205 -7.122 2.371 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.837 -8.522 3.214 1.00 0.00 H new ATOM 1064 N ILE B 50 0.133 -7.037 2.697 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.650 -6.036 3.395 1.00 0.00 C ATOM 1066 C ILE B 50 -1.805 -6.726 4.110 1.00 0.00 C ATOM 1067 O ILE B 50 -2.450 -7.608 3.538 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.222 -4.964 2.440 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.289 -4.716 1.246 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.476 -3.671 3.194 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.937 -3.890 1.567 1.00 0.00 C ATOM 0 H ILE B 50 -0.097 -7.152 1.710 1.00 0.00 H new ATOM 0 HA ILE B 50 0.009 -5.532 4.101 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.168 -5.337 2.047 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.031 -5.678 0.846 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.853 -4.215 0.459 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.879 -2.924 2.510 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.192 -3.852 3.996 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.540 -3.307 3.618 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.538 -3.765 0.666 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.630 -2.912 1.937 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.528 -4.397 2.330 1.00 0.00 H new ATOM 1083 N LYS B 51 -2.060 -6.357 5.353 1.00 0.00 N ATOM 1084 CA LYS B 51 -3.146 -6.960 6.107 1.00 0.00 C ATOM 1085 C LYS B 51 -4.419 -6.187 5.815 1.00 0.00 C ATOM 1086 O LYS B 51 -5.457 -6.760 5.493 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.848 -6.936 7.612 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.874 -7.683 8.452 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.517 -7.656 9.932 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.181 -6.491 10.656 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.557 -6.820 11.101 1.00 0.00 N ATOM 0 H LYS B 51 -1.533 -5.646 5.860 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.260 -8.002 5.808 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.864 -7.371 7.785 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.802 -5.900 7.948 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.858 -7.237 8.307 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.940 -8.717 8.112 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.823 -8.594 10.396 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.435 -7.583 10.043 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.578 -6.211 11.520 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.212 -5.625 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.970 -5.999 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.141 -7.062 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -5.527 -7.630 11.752 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.290 -4.874 5.899 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.373 -3.952 5.663 1.00 0.00 C ATOM 1107 C CYS B 52 -4.792 -2.555 5.548 1.00 0.00 C ATOM 1108 O CYS B 52 -3.573 -2.384 5.606 1.00 0.00 O ATOM 1109 CB CYS B 52 -6.374 -4.021 6.807 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.626 -3.994 8.452 1.00 0.00 S ATOM 0 H CYS B 52 -3.410 -4.416 6.138 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.895 -4.211 4.742 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.065 -3.182 6.721 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.964 -4.932 6.704 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.560 -4.054 9.354 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.631 -1.558 5.375 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.140 -0.204 5.268 1.00 0.00 C ATOM 1118 C GLN B 53 -5.984 0.743 6.119 1.00 0.00 C ATOM 1119 O GLN B 53 -7.197 0.559 6.238 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.123 0.252 3.805 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.482 0.670 3.248 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.395 -0.504 2.945 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -6.939 -1.597 2.618 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.695 -0.283 3.050 1.00 0.00 N ATOM 0 H GLN B 53 -6.644 -1.657 5.306 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.117 -0.181 5.643 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.433 1.090 3.709 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.728 -0.558 3.191 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.974 1.328 3.965 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.331 1.248 2.336 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.035 0.639 3.324 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.357 -1.034 2.857 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.351 1.744 6.721 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.076 2.712 7.526 1.00 0.00 C ATOM 1135 C LYS B 54 -6.254 3.985 6.729 1.00 0.00 C ATOM 1136 O LYS B 54 -5.407 4.325 5.908 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.324 3.114 8.795 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.189 2.077 9.884 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.784 2.770 11.178 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.646 1.828 12.360 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.756 0.671 12.063 1.00 0.00 N ATOM 0 H LYS B 54 -4.345 1.903 6.666 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.020 2.238 7.797 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.322 3.430 8.506 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.823 3.985 9.220 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.132 1.548 10.019 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.443 1.333 9.605 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.836 3.284 11.022 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.525 3.533 11.418 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.251 2.377 13.215 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.632 1.461 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.394 0.274 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.293 -0.058 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.959 0.988 11.476 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.342 4.682 6.961 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.567 5.949 6.305 1.00 0.00 C ATOM 1157 C ILE B 55 -7.835 6.982 7.390 1.00 0.00 C ATOM 1158 O ILE B 55 -8.636 6.744 8.295 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.725 5.904 5.261 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.083 6.268 5.862 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.812 4.523 4.632 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.979 7.003 4.885 1.00 0.00 C ATOM 0 H ILE B 55 -8.084 4.394 7.598 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.681 6.213 5.727 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.488 6.652 4.505 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.584 5.359 6.194 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.930 6.888 6.745 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.624 4.505 3.905 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.872 4.291 4.132 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.003 3.781 5.408 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.929 7.236 5.367 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.495 7.928 4.572 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.159 6.375 4.013 1.00 0.00 H new ATOM 1174 N SER B 56 -7.111 8.085 7.362 1.00 0.00 N ATOM 1175 CA SER B 56 -7.301 9.110 8.362 1.00 0.00 C ATOM 1176 C SER B 56 -8.332 10.100 7.849 1.00 0.00 C ATOM 1177 O SER B 56 -8.117 10.775 6.819 1.00 0.00 O ATOM 1178 CB SER B 56 -5.980 9.790 8.731 1.00 0.00 C ATOM 1179 OG SER B 56 -5.722 10.920 7.930 1.00 0.00 O ATOM 0 H SER B 56 -6.395 8.290 6.665 1.00 0.00 H new ATOM 0 HA SER B 56 -7.669 8.659 9.283 1.00 0.00 H new ATOM 0 HB2 SER B 56 -6.007 10.088 9.779 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.163 9.076 8.623 1.00 0.00 H new ATOM 0 HG SER B 56 -5.200 11.572 8.443 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.467 10.147 8.565 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.629 10.988 8.252 1.00 0.00 C ATOM 1187 C PRO B 57 -10.376 12.478 8.412 1.00 0.00 C ATOM 1188 O PRO B 57 -9.310 12.908 8.862 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.679 10.531 9.269 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.881 10.027 10.415 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.690 9.367 9.796 1.00 0.00 C ATOM 0 HA PRO B 57 -10.919 10.872 7.208 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.329 11.354 9.567 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.320 9.752 8.857 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.582 10.840 11.076 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.455 9.322 11.016 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.823 9.402 10.456 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.882 8.317 9.577 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.368 13.253 7.997 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.323 14.698 8.091 1.00 0.00 C ATOM 1201 C GLU B 58 -11.154 15.124 9.545 1.00 0.00 C ATOM 1202 O GLU B 58 -11.457 14.369 10.469 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.599 15.311 7.497 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.700 15.196 5.978 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.607 13.764 5.481 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -13.261 12.883 6.075 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.857 13.513 4.518 1.00 0.00 O ATOM 0 H GLU B 58 -12.228 12.892 7.585 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.468 15.061 7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.465 14.824 7.945 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.646 16.364 7.774 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.645 15.628 5.649 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.905 15.785 5.521 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.697 16.344 9.738 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.452 16.849 11.070 1.00 0.00 C ATOM 1216 C GLY B 59 -8.974 17.070 11.261 1.00 0.00 C ATOM 1217 O GLY B 59 -8.550 17.940 12.019 1.00 0.00 O ATOM 0 H GLY B 59 -10.488 17.003 8.988 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.992 17.783 11.221 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.824 16.142 11.812 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.193 16.270 10.548 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.750 16.392 10.563 1.00 0.00 C ATOM 1223 C LYS B 60 -6.356 17.407 9.517 1.00 0.00 C ATOM 1224 O LYS B 60 -7.080 17.608 8.538 1.00 0.00 O ATOM 1225 CB LYS B 60 -6.074 15.046 10.261 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.793 14.209 11.496 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.787 13.093 11.221 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.365 12.393 12.506 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.966 13.032 13.709 1.00 0.00 N ATOM 0 H LYS B 60 -8.544 15.524 9.948 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.425 16.709 11.554 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.709 14.475 9.584 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.136 15.231 9.738 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.412 14.852 12.289 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.725 13.775 11.858 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.226 12.367 10.537 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.909 13.507 10.726 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.664 11.346 12.464 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.278 12.412 12.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.738 12.468 14.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.582 13.992 13.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.999 13.083 13.596 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.226 18.052 9.722 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.745 19.044 8.777 1.00 0.00 C ATOM 1245 C ALA B 61 -4.358 18.388 7.473 1.00 0.00 C ATOM 1246 O ALA B 61 -4.203 19.049 6.448 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.557 19.775 9.352 1.00 0.00 C ATOM 0 H ALA B 61 -4.623 17.909 10.532 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.547 19.757 8.587 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.204 20.517 8.635 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.849 20.274 10.276 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.758 19.063 9.561 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.198 17.083 7.521 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.829 16.341 6.352 1.00 0.00 C ATOM 1255 C LYS B 62 -4.616 15.042 6.262 1.00 0.00 C ATOM 1256 O LYS B 62 -4.835 14.366 7.268 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.331 16.041 6.359 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.855 15.299 7.598 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.015 16.190 8.494 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.278 15.378 9.545 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.452 16.249 10.506 1.00 0.00 N ATOM 0 H LYS B 62 -4.320 16.520 8.363 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.065 16.951 5.480 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.085 15.450 5.477 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.782 16.979 6.277 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.716 14.930 8.155 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.271 14.428 7.300 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.297 16.744 7.889 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.655 16.925 8.982 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.989 14.755 10.087 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.427 14.706 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.362 15.809 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.622 17.179 10.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.118 16.369 11.368 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.057 14.715 5.062 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.780 13.480 4.825 1.00 0.00 C ATOM 1277 C ILE B 63 -4.744 12.370 4.717 1.00 0.00 C ATOM 1278 O ILE B 63 -3.759 12.527 4.003 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.629 13.579 3.539 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.838 14.488 3.774 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.080 12.209 3.074 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.601 15.940 3.411 1.00 0.00 C ATOM 0 H ILE B 63 -4.926 15.292 4.231 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.473 13.275 5.641 1.00 0.00 H new ATOM 0 HB ILE B 63 -6.008 14.011 2.754 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.680 14.112 3.193 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.124 14.429 4.824 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.676 12.311 2.167 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.207 11.589 2.868 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.682 11.740 3.853 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.505 16.516 3.607 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.781 16.336 4.011 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.346 16.014 2.354 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.925 11.256 5.413 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.886 10.223 5.379 1.00 0.00 C ATOM 1296 C GLN B 64 -4.411 8.816 5.180 1.00 0.00 C ATOM 1297 O GLN B 64 -5.598 8.540 5.317 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.064 10.245 6.669 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.704 11.632 7.167 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.308 11.629 8.627 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -1.563 12.495 9.079 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.806 10.651 9.377 1.00 0.00 N ATOM 0 H GLN B 64 -5.742 11.044 5.986 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.274 10.470 4.511 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.623 9.727 7.449 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.145 9.682 6.508 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.883 12.029 6.570 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.554 12.300 7.024 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.421 9.952 8.961 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.573 10.600 10.369 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.492 7.947 4.797 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.755 6.538 4.606 1.00 0.00 C ATOM 1313 C LEU B 65 -2.555 5.766 5.139 1.00 0.00 C ATOM 1314 O LEU B 65 -1.472 6.321 5.212 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.918 6.207 3.131 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.787 4.992 2.839 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.228 5.409 2.636 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.259 4.231 1.643 1.00 0.00 C ATOM 0 H LEU B 65 -2.525 8.210 4.607 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.675 6.272 5.127 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.346 7.072 2.625 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.931 6.042 2.699 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.750 4.323 3.699 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.836 4.528 2.428 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.595 5.899 3.538 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.292 6.100 1.796 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.895 3.367 1.452 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.259 4.882 0.769 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.242 3.895 1.845 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.728 4.527 5.562 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.588 3.755 6.039 1.00 0.00 C ATOM 1332 C GLN B 66 -1.753 2.287 5.682 1.00 0.00 C ATOM 1333 O GLN B 66 -2.854 1.747 5.711 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.371 3.926 7.551 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.095 2.909 8.416 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.710 2.989 9.883 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.703 1.982 10.590 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.413 4.185 10.362 1.00 0.00 N ATOM 0 H GLN B 66 -3.624 4.040 5.587 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.699 4.140 5.539 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.303 3.865 7.760 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.696 4.925 7.840 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.170 3.060 8.320 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.880 1.907 8.045 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.429 4.999 9.747 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.168 4.294 11.346 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.650 1.658 5.331 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.637 0.256 4.970 1.00 0.00 C ATOM 1349 C LEU B 67 -0.301 -0.588 6.181 1.00 0.00 C ATOM 1350 O LEU B 67 0.838 -0.606 6.629 1.00 0.00 O ATOM 1351 CB LEU B 67 0.407 -0.005 3.890 1.00 0.00 C ATOM 1352 CG LEU B 67 0.065 0.490 2.489 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.179 0.112 1.529 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.263 -0.088 2.024 1.00 0.00 C ATOM 0 H LEU B 67 0.265 2.106 5.288 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.626 -0.008 4.595 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.343 0.461 4.199 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.587 -1.079 3.840 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.032 1.575 2.511 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.933 0.467 0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.113 0.570 1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.293 -0.972 1.512 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.488 0.278 1.022 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.200 -1.176 2.007 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.053 0.220 2.709 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.283 -1.275 6.715 1.00 0.00 N ATOM 1367 CA VAL B 68 -1.059 -2.117 7.869 1.00 0.00 C ATOM 1368 C VAL B 68 -0.784 -3.530 7.399 1.00 0.00 C ATOM 1369 O VAL B 68 -1.648 -4.182 6.823 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.264 -2.092 8.817 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.901 -2.706 10.156 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.746 -0.665 8.994 1.00 0.00 C ATOM 0 H VAL B 68 -2.243 -1.269 6.371 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.200 -1.739 8.424 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.070 -2.684 8.383 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.768 -2.679 10.816 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.588 -3.740 10.009 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.085 -2.140 10.606 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.602 -0.651 9.668 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.943 -0.059 9.415 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.039 -0.257 8.027 1.00 0.00 H new ATOM 1382 N LEU B 69 0.427 -3.995 7.627 1.00 0.00 N ATOM 1383 CA LEU B 69 0.827 -5.317 7.177 1.00 0.00 C ATOM 1384 C LEU B 69 0.735 -6.347 8.284 1.00 0.00 C ATOM 1385 O LEU B 69 0.757 -6.010 9.467 1.00 0.00 O ATOM 1386 CB LEU B 69 2.259 -5.270 6.655 1.00 0.00 C ATOM 1387 CG LEU B 69 2.658 -3.943 6.022 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.130 -3.935 5.688 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.842 -3.679 4.778 1.00 0.00 C ATOM 0 H LEU B 69 1.154 -3.478 8.122 1.00 0.00 H new ATOM 0 HA LEU B 69 0.141 -5.614 6.383 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.940 -5.484 7.479 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.390 -6.063 5.919 1.00 0.00 H new ATOM 0 HG LEU B 69 2.459 -3.150 6.743 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.396 -2.979 5.237 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.711 -4.080 6.599 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.348 -4.740 4.987 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.142 -2.727 4.341 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.010 -4.478 4.056 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.784 -3.641 5.038 1.00 0.00 H new ATOM 1401 N HIS B 70 0.652 -7.613 7.892 1.00 0.00 N ATOM 1402 CA HIS B 70 0.595 -8.707 8.856 1.00 0.00 C ATOM 1403 C HIS B 70 2.006 -9.018 9.330 1.00 0.00 C ATOM 1404 O HIS B 70 2.231 -9.905 10.147 1.00 0.00 O ATOM 1405 CB HIS B 70 -0.054 -9.968 8.263 1.00 0.00 C ATOM 1406 CG HIS B 70 0.028 -10.070 6.771 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -1.006 -9.733 5.931 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.040 -10.486 5.960 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.597 -9.950 4.680 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.624 -10.415 4.651 1.00 0.00 N ATOM 0 H HIS B 70 0.623 -7.908 6.916 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.027 -8.393 9.694 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.422 -10.845 8.701 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.103 -9.994 8.559 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.921 -9.381 6.213 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.013 -10.818 6.291 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.199 -9.765 3.802 1.00 0.00 H new ATOM 1418 N ALA B 71 2.948 -8.260 8.789 1.00 0.00 N ATOM 1419 CA ALA B 71 4.353 -8.394 9.119 1.00 0.00 C ATOM 1420 C ALA B 71 4.675 -7.638 10.402 1.00 0.00 C ATOM 1421 O ALA B 71 5.800 -7.679 10.894 1.00 0.00 O ATOM 1422 CB ALA B 71 5.191 -7.861 7.965 1.00 0.00 C ATOM 0 H ALA B 71 2.754 -7.530 8.104 1.00 0.00 H new ATOM 0 HA ALA B 71 4.586 -9.447 9.280 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.249 -7.959 8.208 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.971 -8.431 7.062 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.953 -6.810 7.798 1.00 0.00 H new ATOM 1428 N GLY B 72 3.671 -6.951 10.938 1.00 0.00 N ATOM 1429 CA GLY B 72 3.861 -6.179 12.149 1.00 0.00 C ATOM 1430 C GLY B 72 4.385 -4.794 11.843 1.00 0.00 C ATOM 1431 O GLY B 72 4.937 -4.121 12.710 1.00 0.00 O ATOM 0 H GLY B 72 2.727 -6.916 10.553 1.00 0.00 H new ATOM 0 HA2 GLY B 72 2.915 -6.102 12.685 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.559 -6.697 12.807 1.00 0.00 H new ATOM 1435 N ASP B 73 4.194 -4.373 10.601 1.00 0.00 N ATOM 1436 CA ASP B 73 4.658 -3.068 10.148 1.00 0.00 C ATOM 1437 C ASP B 73 3.511 -2.277 9.530 1.00 0.00 C ATOM 1438 O ASP B 73 2.509 -2.856 9.098 1.00 0.00 O ATOM 1439 CB ASP B 73 5.795 -3.240 9.132 1.00 0.00 C ATOM 1440 CG ASP B 73 6.239 -1.924 8.520 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.540 -0.987 9.287 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.272 -1.827 7.275 1.00 0.00 O ATOM 0 H ASP B 73 3.718 -4.920 9.884 1.00 0.00 H new ATOM 0 HA ASP B 73 5.033 -2.513 11.008 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.646 -3.713 9.622 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.469 -3.913 8.339 1.00 0.00 H new ATOM 1447 N THR B 74 3.654 -0.961 9.504 1.00 0.00 N ATOM 1448 CA THR B 74 2.648 -0.084 8.937 1.00 0.00 C ATOM 1449 C THR B 74 3.321 1.003 8.096 1.00 0.00 C ATOM 1450 O THR B 74 4.247 1.669 8.556 1.00 0.00 O ATOM 1451 CB THR B 74 1.806 0.587 10.041 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.666 1.138 11.045 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.848 -0.404 10.684 1.00 0.00 C ATOM 0 H THR B 74 4.470 -0.474 9.875 1.00 0.00 H new ATOM 0 HA THR B 74 1.990 -0.689 8.313 1.00 0.00 H new ATOM 0 HB THR B 74 1.221 1.382 9.579 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.399 1.626 10.616 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.269 0.100 11.458 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.173 -0.801 9.926 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.415 -1.222 11.129 1.00 0.00 H new ATOM 1461 N THR B 75 2.833 1.192 6.884 1.00 0.00 N ATOM 1462 CA THR B 75 3.377 2.186 5.971 1.00 0.00 C ATOM 1463 C THR B 75 2.405 3.361 5.830 1.00 0.00 C ATOM 1464 O THR B 75 1.384 3.242 5.159 1.00 0.00 O ATOM 1465 CB THR B 75 3.626 1.536 4.597 1.00 0.00 C ATOM 1466 OG1 THR B 75 3.974 0.153 4.777 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.738 2.246 3.848 1.00 0.00 C ATOM 0 H THR B 75 2.049 0.662 6.503 1.00 0.00 H new ATOM 0 HA THR B 75 4.320 2.562 6.368 1.00 0.00 H new ATOM 0 HB THR B 75 2.712 1.617 4.009 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.131 -0.261 3.903 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.891 1.765 2.882 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.464 3.290 3.694 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.659 2.194 4.429 1.00 0.00 H new ATOM 1475 N ASN B 76 2.714 4.498 6.446 1.00 0.00 N ATOM 1476 CA ASN B 76 1.804 5.645 6.399 1.00 0.00 C ATOM 1477 C ASN B 76 2.021 6.511 5.168 1.00 0.00 C ATOM 1478 O ASN B 76 3.132 6.938 4.876 1.00 0.00 O ATOM 1479 CB ASN B 76 1.926 6.512 7.659 1.00 0.00 C ATOM 1480 CG ASN B 76 1.342 5.855 8.898 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.307 4.632 9.012 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.878 6.667 9.838 1.00 0.00 N ATOM 0 H ASN B 76 3.572 4.652 6.976 1.00 0.00 H new ATOM 0 HA ASN B 76 0.799 5.226 6.347 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.978 6.737 7.837 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.421 7.463 7.488 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.475 6.281 10.692 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.924 7.678 9.707 1.00 0.00 H new ATOM 1489 N PHE B 77 0.927 6.769 4.467 1.00 0.00 N ATOM 1490 CA PHE B 77 0.926 7.596 3.276 1.00 0.00 C ATOM 1491 C PHE B 77 0.120 8.863 3.540 1.00 0.00 C ATOM 1492 O PHE B 77 -1.105 8.827 3.679 1.00 0.00 O ATOM 1493 CB PHE B 77 0.336 6.834 2.090 1.00 0.00 C ATOM 1494 CG PHE B 77 1.281 5.833 1.492 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.306 6.246 0.660 1.00 0.00 C ATOM 1496 CD2 PHE B 77 1.141 4.481 1.760 1.00 0.00 C ATOM 1497 CE1 PHE B 77 3.177 5.330 0.105 1.00 0.00 C ATOM 1498 CE2 PHE B 77 2.010 3.561 1.207 1.00 0.00 C ATOM 1499 CZ PHE B 77 3.029 3.986 0.378 1.00 0.00 C ATOM 0 H PHE B 77 0.007 6.405 4.714 1.00 0.00 H new ATOM 0 HA PHE B 77 1.954 7.864 3.030 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.569 6.320 2.413 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.040 7.547 1.321 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.426 7.297 0.442 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.345 4.143 2.407 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.974 5.665 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.892 2.509 1.423 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.709 3.268 -0.056 1.00 0.00 H new ATOM 1509 N HIS B 78 0.822 9.968 3.614 1.00 0.00 N ATOM 1510 CA HIS B 78 0.230 11.266 3.877 1.00 0.00 C ATOM 1511 C HIS B 78 -0.230 11.905 2.570 1.00 0.00 C ATOM 1512 O HIS B 78 0.580 12.239 1.718 1.00 0.00 O ATOM 1513 CB HIS B 78 1.299 12.116 4.586 1.00 0.00 C ATOM 1514 CG HIS B 78 0.986 13.566 4.831 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.467 14.255 5.920 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.311 14.477 4.084 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.088 15.530 5.803 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.385 15.720 4.705 1.00 0.00 N ATOM 0 H HIS B 78 1.834 9.996 3.492 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.652 11.182 4.512 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.514 11.651 5.548 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.214 12.065 3.996 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.201 14.270 3.156 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.327 16.305 6.516 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.021 16.597 4.378 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.529 12.065 2.404 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.066 12.672 1.195 1.00 0.00 C ATOM 1528 C PHE B 79 -1.949 14.191 1.285 1.00 0.00 C ATOM 1529 O PHE B 79 -2.837 14.862 1.816 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.526 12.265 0.996 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.701 10.897 0.407 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.785 10.735 -0.961 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.791 9.774 1.216 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.957 9.485 -1.515 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.961 8.517 0.662 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.045 8.375 -0.709 1.00 0.00 C ATOM 0 H PHE B 79 -2.233 11.785 3.087 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.491 12.320 0.338 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.038 12.304 1.957 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.011 12.994 0.347 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.715 11.599 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.728 9.881 2.289 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.023 9.377 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.028 7.649 1.301 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.179 7.396 -1.146 1.00 0.00 H new ATOM 1546 N SER B 80 -0.851 14.728 0.773 1.00 0.00 N ATOM 1547 CA SER B 80 -0.608 16.161 0.821 1.00 0.00 C ATOM 1548 C SER B 80 -1.007 16.852 -0.484 1.00 0.00 C ATOM 1549 O SER B 80 -0.436 17.883 -0.849 1.00 0.00 O ATOM 1550 CB SER B 80 0.867 16.426 1.142 1.00 0.00 C ATOM 1551 OG SER B 80 1.698 15.385 0.651 1.00 0.00 O ATOM 0 H SER B 80 -0.113 14.190 0.318 1.00 0.00 H new ATOM 0 HA SER B 80 -1.231 16.582 1.610 1.00 0.00 H new ATOM 0 HB2 SER B 80 1.172 17.375 0.702 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.996 16.518 2.220 1.00 0.00 H new ATOM 0 HG SER B 80 2.564 15.757 0.384 1.00 0.00 H new ATOM 1557 N ASN B 81 -1.971 16.277 -1.196 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.452 16.871 -2.438 1.00 0.00 C ATOM 1559 C ASN B 81 -3.835 17.466 -2.211 1.00 0.00 C ATOM 1560 O ASN B 81 -4.847 16.797 -2.385 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.492 15.842 -3.575 1.00 0.00 C ATOM 1562 CG ASN B 81 -2.743 16.477 -4.939 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.190 15.813 -5.877 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.459 17.766 -5.067 1.00 0.00 N ATOM 0 H ASN B 81 -2.432 15.405 -0.936 1.00 0.00 H new ATOM 0 HA ASN B 81 -1.759 17.658 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.547 15.299 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.274 15.111 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.609 18.235 -5.960 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.090 18.288 -4.272 1.00 0.00 H new ATOM 1571 N GLU B 82 -3.848 18.737 -1.848 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.072 19.489 -1.554 1.00 0.00 C ATOM 1573 C GLU B 82 -6.181 19.278 -2.596 1.00 0.00 C ATOM 1574 O GLU B 82 -7.364 19.233 -2.253 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.737 20.989 -1.427 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.254 21.664 -2.718 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.165 20.887 -3.443 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.074 20.699 -2.865 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -3.423 20.417 -4.572 1.00 0.00 O ATOM 0 H GLU B 82 -2.998 19.291 -1.745 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.463 19.107 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.624 21.514 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.968 21.110 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.103 21.795 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.880 22.660 -2.479 1.00 0.00 H new ATOM 1586 N SER B 83 -5.790 19.134 -3.852 1.00 0.00 N ATOM 1587 CA SER B 83 -6.730 18.946 -4.945 1.00 0.00 C ATOM 1588 C SER B 83 -7.619 17.713 -4.783 1.00 0.00 C ATOM 1589 O SER B 83 -8.852 17.829 -4.728 1.00 0.00 O ATOM 1590 CB SER B 83 -5.959 18.854 -6.264 1.00 0.00 C ATOM 1591 OG SER B 83 -5.221 20.040 -6.511 1.00 0.00 O ATOM 0 H SER B 83 -4.812 19.144 -4.142 1.00 0.00 H new ATOM 0 HA SER B 83 -7.396 19.809 -4.940 1.00 0.00 H new ATOM 0 HB2 SER B 83 -5.281 18.001 -6.233 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.656 18.679 -7.084 1.00 0.00 H new ATOM 0 HG SER B 83 -4.429 20.059 -5.934 1.00 0.00 H new ATOM 1597 N THR B 84 -7.028 16.534 -4.704 1.00 0.00 N ATOM 1598 CA THR B 84 -7.830 15.327 -4.629 1.00 0.00 C ATOM 1599 C THR B 84 -7.486 14.386 -3.471 1.00 0.00 C ATOM 1600 O THR B 84 -8.027 13.293 -3.420 1.00 0.00 O ATOM 1601 CB THR B 84 -7.731 14.591 -5.977 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.361 14.510 -6.391 1.00 0.00 O ATOM 1603 CG2 THR B 84 -8.523 15.348 -7.032 1.00 0.00 C ATOM 0 H THR B 84 -6.019 16.387 -4.690 1.00 0.00 H new ATOM 0 HA THR B 84 -8.852 15.644 -4.421 1.00 0.00 H new ATOM 0 HB THR B 84 -8.136 13.586 -5.860 1.00 0.00 H new ATOM 0 HG1 THR B 84 -5.786 14.414 -5.603 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.451 14.825 -7.986 1.00 0.00 H new ATOM 0 HG22 THR B 84 -9.568 15.408 -6.729 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.118 16.354 -7.139 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.650 14.824 -2.530 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.214 13.987 -1.391 1.00 0.00 C ATOM 1613 C ALA B 85 -7.340 13.172 -0.756 1.00 0.00 C ATOM 1614 O ALA B 85 -7.189 11.976 -0.542 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.552 14.844 -0.323 1.00 0.00 C ATOM 0 H ALA B 85 -6.252 15.763 -2.527 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.501 13.275 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.238 14.212 0.507 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.682 15.346 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.261 15.589 0.037 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.451 13.822 -0.433 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.588 13.134 0.178 1.00 0.00 C ATOM 1623 C VAL B 86 -10.085 11.990 -0.718 1.00 0.00 C ATOM 1624 O VAL B 86 -10.176 10.842 -0.285 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.735 14.136 0.472 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.107 13.476 0.394 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.548 14.776 1.835 1.00 0.00 C ATOM 0 H VAL B 86 -8.592 14.821 -0.582 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.256 12.702 1.122 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.691 14.906 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.879 14.215 0.607 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.259 13.070 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.165 12.670 1.125 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.362 15.476 2.023 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.549 14.003 2.603 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.598 15.310 1.859 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.358 12.313 -1.976 1.00 0.00 N ATOM 1638 CA LYS B 87 -10.844 11.337 -2.952 1.00 0.00 C ATOM 1639 C LYS B 87 -9.761 10.306 -3.247 1.00 0.00 C ATOM 1640 O LYS B 87 -10.046 9.133 -3.468 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.244 12.067 -4.241 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.039 13.346 -4.001 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.392 14.544 -4.688 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.069 15.853 -4.303 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.445 17.031 -4.976 1.00 0.00 N ATOM 0 H LYS B 87 -10.250 13.255 -2.351 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.712 10.819 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.343 12.310 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -11.836 11.393 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.056 13.218 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.111 13.535 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.336 14.589 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.442 14.413 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.126 15.804 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.015 15.984 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.053 17.865 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.512 17.217 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.335 16.833 -5.991 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.520 10.765 -3.252 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.377 9.905 -3.484 1.00 0.00 C ATOM 1661 C GLU B 88 -7.268 8.905 -2.342 1.00 0.00 C ATOM 1662 O GLU B 88 -7.094 7.712 -2.571 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.112 10.752 -3.634 1.00 0.00 C ATOM 1664 CG GLU B 88 -5.837 11.149 -5.076 1.00 0.00 C ATOM 1665 CD GLU B 88 -4.766 12.211 -5.211 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -3.773 11.976 -5.930 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.932 13.303 -4.637 1.00 0.00 O ATOM 0 H GLU B 88 -8.280 11.744 -3.095 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.502 9.346 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.208 11.652 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.259 10.195 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.535 10.265 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -6.760 11.514 -5.527 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.409 9.401 -1.112 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.382 8.557 0.080 1.00 0.00 C ATOM 1676 C ARG B 89 -8.425 7.478 -0.073 1.00 0.00 C ATOM 1677 O ARG B 89 -8.174 6.296 0.143 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.720 9.380 1.326 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.710 8.588 2.621 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.620 9.233 3.657 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.917 9.614 3.087 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.640 10.659 3.497 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.222 11.420 4.500 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.794 10.941 2.906 1.00 0.00 N ATOM 0 H ARG B 89 -7.544 10.393 -0.916 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.386 8.129 0.191 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.007 10.200 1.410 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.705 9.827 1.195 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.037 7.566 2.430 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.693 8.530 3.009 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.777 8.540 4.484 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.132 10.116 4.069 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.291 9.044 2.328 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.340 11.209 4.967 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.783 12.216 4.805 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.129 10.359 2.138 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.346 11.739 3.220 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.596 7.929 -0.468 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.739 7.076 -0.675 1.00 0.00 C ATOM 1700 C ASP B 90 -10.516 6.047 -1.776 1.00 0.00 C ATOM 1701 O ASP B 90 -10.816 4.878 -1.577 1.00 0.00 O ATOM 1702 CB ASP B 90 -11.967 7.947 -0.933 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.696 8.241 0.360 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.572 9.369 0.879 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.359 7.316 0.883 1.00 0.00 O ATOM 0 H ASP B 90 -9.780 8.914 -0.656 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.903 6.488 0.228 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.664 8.881 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.638 7.442 -1.628 1.00 0.00 H new ATOM 1710 N ALA B 91 -9.965 6.460 -2.905 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.711 5.534 -4.011 1.00 0.00 C ATOM 1712 C ALA B 91 -8.626 4.522 -3.648 1.00 0.00 C ATOM 1713 O ALA B 91 -8.759 3.340 -3.960 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.336 6.302 -5.269 1.00 0.00 C ATOM 0 H ALA B 91 -9.684 7.424 -3.086 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.628 4.978 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.150 5.600 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.153 6.969 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.436 6.888 -5.083 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.551 4.976 -2.999 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.485 4.067 -2.573 1.00 0.00 C ATOM 1722 C VAL B 92 -7.091 3.083 -1.581 1.00 0.00 C ATOM 1723 O VAL B 92 -6.844 1.883 -1.635 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.307 4.815 -1.911 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.188 3.850 -1.564 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.780 5.906 -2.823 1.00 0.00 C ATOM 0 H VAL B 92 -7.397 5.955 -2.759 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.082 3.558 -3.448 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.676 5.274 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.368 4.396 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.560 3.095 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.831 3.364 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -3.951 6.419 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.434 5.464 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.576 6.621 -3.033 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.924 3.629 -0.696 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.640 2.853 0.309 1.00 0.00 C ATOM 1738 C LYS B 93 -9.511 1.812 -0.373 1.00 0.00 C ATOM 1739 O LYS B 93 -9.438 0.623 -0.078 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.535 3.789 1.132 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.608 3.077 1.950 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.805 3.983 2.219 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.939 3.744 1.224 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.995 4.790 0.166 1.00 0.00 N ATOM 0 H LYS B 93 -8.121 4.629 -0.658 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.920 2.358 0.961 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.908 4.371 1.807 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.019 4.495 0.457 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.939 2.185 1.418 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.183 2.744 2.897 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.169 3.811 3.232 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.490 5.025 2.166 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.811 2.767 0.759 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.889 3.720 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.676 4.506 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.294 5.693 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.054 4.902 -0.261 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.329 2.299 -1.291 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.251 1.476 -2.053 1.00 0.00 C ATOM 1760 C ASP B 94 -10.537 0.382 -2.818 1.00 0.00 C ATOM 1761 O ASP B 94 -10.847 -0.789 -2.654 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.060 2.359 -3.002 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.352 2.826 -2.369 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.140 1.965 -1.933 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.566 4.052 -2.270 1.00 0.00 O ATOM 0 H ASP B 94 -10.371 3.290 -1.530 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.924 0.984 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.463 3.224 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.281 1.805 -3.914 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.565 0.762 -3.623 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.819 -0.196 -4.422 1.00 0.00 C ATOM 1772 C LEU B 95 -8.103 -1.211 -3.537 1.00 0.00 C ATOM 1773 O LEU B 95 -8.082 -2.389 -3.855 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.816 0.535 -5.320 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.375 -0.227 -6.569 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.567 -0.529 -7.464 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.323 0.564 -7.330 1.00 0.00 C ATOM 0 H LEU B 95 -9.271 1.731 -3.743 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.525 -0.740 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.256 1.483 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.931 0.772 -4.729 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.936 -1.174 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.230 -1.072 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.288 -1.137 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.038 0.405 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.020 0.007 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.738 1.526 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.456 0.726 -6.690 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.535 -0.765 -2.426 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.841 -1.676 -1.516 1.00 0.00 C ATOM 1791 C LEU B 96 -7.833 -2.596 -0.813 1.00 0.00 C ATOM 1792 O LEU B 96 -7.613 -3.794 -0.745 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.035 -0.899 -0.475 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.681 -0.377 -0.947 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.178 0.708 -0.011 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.676 -1.510 -1.025 1.00 0.00 C ATOM 0 H LEU B 96 -7.538 0.212 -2.131 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.156 -2.280 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.633 -0.053 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.875 -1.543 0.390 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.802 0.050 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.211 1.071 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.890 1.533 0.006 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.071 0.300 0.994 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.715 -1.122 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.559 -1.961 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.031 -2.263 -1.729 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.935 -2.043 -0.305 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.945 -2.861 0.373 1.00 0.00 C ATOM 1810 C GLN B 97 -10.577 -3.824 -0.627 1.00 0.00 C ATOM 1811 O GLN B 97 -11.203 -4.816 -0.262 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.017 -1.988 1.046 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.084 -1.450 0.102 1.00 0.00 C ATOM 1814 CD GLN B 97 -13.208 -0.747 0.837 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.494 -1.052 1.992 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -13.861 0.197 0.177 1.00 0.00 N ATOM 0 H GLN B 97 -9.151 -1.047 -0.348 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.456 -3.434 1.161 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.503 -2.572 1.827 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.526 -1.147 1.535 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.625 -0.756 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.495 -2.273 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.597 0.425 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.628 0.696 0.627 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.403 -3.492 -1.895 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.893 -4.286 -3.003 1.00 0.00 C ATOM 1827 C GLN B 98 -9.893 -5.383 -3.339 1.00 0.00 C ATOM 1828 O GLN B 98 -10.221 -6.560 -3.435 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.029 -3.381 -4.238 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.366 -2.675 -4.375 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.552 -3.603 -4.294 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.493 -4.762 -4.712 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.642 -3.089 -3.755 1.00 0.00 N ATOM 0 H GLN B 98 -9.909 -2.648 -2.186 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.852 -4.726 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.240 -2.629 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.860 -3.983 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.451 -1.922 -3.592 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.393 -2.148 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.641 -2.124 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.485 -3.657 -3.670 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.667 -4.942 -3.497 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.541 -5.764 -3.901 1.00 0.00 C ATOM 1844 C LEU B 99 -6.927 -6.636 -2.798 1.00 0.00 C ATOM 1845 O LEU B 99 -6.681 -7.821 -3.019 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.498 -4.804 -4.462 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.627 -4.544 -5.965 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.878 -3.281 -6.357 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.128 -5.737 -6.762 1.00 0.00 C ATOM 0 H LEU B 99 -8.413 -3.966 -3.343 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.898 -6.491 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.573 -3.854 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.505 -5.205 -4.258 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.682 -4.399 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.982 -3.114 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.291 -2.430 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.823 -3.392 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.229 -5.531 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.080 -5.920 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.717 -6.618 -6.506 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.701 -6.065 -1.626 1.00 0.00 N ATOM 1862 CA LEU B 100 -6.050 -6.776 -0.519 1.00 0.00 C ATOM 1863 C LEU B 100 -6.670 -8.142 -0.169 1.00 0.00 C ATOM 1864 O LEU B 100 -5.941 -9.134 -0.086 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.965 -5.883 0.722 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.934 -4.766 0.587 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.781 -3.967 1.870 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.600 -5.337 0.180 1.00 0.00 C ATOM 0 H LEU B 100 -6.959 -5.102 -1.408 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.047 -7.005 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.944 -5.444 0.914 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.715 -6.497 1.587 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.295 -4.086 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.037 -3.184 1.724 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.737 -3.514 2.133 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.459 -4.628 2.674 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.872 -4.531 0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.262 -6.046 0.936 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.700 -5.848 -0.778 1.00 0.00 H new ATOM 1880 N PRO B 101 -8.002 -8.236 0.043 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.652 -9.509 0.406 1.00 0.00 C ATOM 1882 C PRO B 101 -8.634 -10.566 -0.703 1.00 0.00 C ATOM 1883 O PRO B 101 -8.687 -11.761 -0.417 1.00 0.00 O ATOM 1884 CB PRO B 101 -10.092 -9.100 0.718 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.300 -7.841 -0.045 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.978 -7.132 -0.029 1.00 0.00 C ATOM 0 HA PRO B 101 -8.124 -9.985 1.233 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.798 -9.871 0.410 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.237 -8.944 1.787 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.619 -8.050 -1.066 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.077 -7.230 0.413 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.835 -6.527 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.891 -6.462 0.826 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.538 -10.134 -1.955 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.539 -11.066 -3.088 1.00 0.00 C ATOM 1896 C LYS B 102 -7.330 -11.988 -3.062 1.00 0.00 C ATOM 1897 O LYS B 102 -7.401 -13.138 -3.492 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.560 -10.309 -4.414 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.783 -9.436 -4.596 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.984 -9.059 -6.053 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.724 -7.741 -6.186 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.949 -7.697 -5.336 1.00 0.00 N ATOM 0 H LYS B 102 -8.459 -9.151 -2.216 1.00 0.00 H new ATOM 0 HA LYS B 102 -9.441 -11.671 -2.997 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.667 -9.687 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.511 -11.027 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.665 -9.962 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.679 -8.532 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.016 -8.986 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.543 -9.845 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -10.060 -6.923 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -11.001 -7.585 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -12.673 -7.114 -5.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.314 -8.662 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.715 -7.285 -4.410 1.00 0.00 H new ATOM 1916 N PHE B 103 -6.222 -11.486 -2.545 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.996 -12.265 -2.482 1.00 0.00 C ATOM 1918 C PHE B 103 -4.903 -13.008 -1.152 1.00 0.00 C ATOM 1919 O PHE B 103 -3.839 -13.483 -0.749 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.796 -11.345 -2.715 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.976 -10.493 -3.944 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.149 -11.082 -5.188 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.004 -9.112 -3.853 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.346 -10.308 -6.317 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.197 -8.334 -4.981 1.00 0.00 C ATOM 1926 CZ PHE B 103 -4.369 -8.933 -6.212 1.00 0.00 C ATOM 0 H PHE B 103 -6.145 -10.543 -2.163 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.998 -13.021 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.655 -10.703 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.892 -11.945 -2.818 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.130 -12.158 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -3.874 -8.637 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.482 -10.779 -7.279 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.213 -7.257 -4.898 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.521 -8.326 -7.092 1.00 0.00 H new