USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 HIS : no HD1:sc= -2.03 K(o=-4.2,f=-2.9) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.21 K(o=-4.2,f=-7.4!) USER MOD Set 2.1: A 62 GLN : amide:sc= -0.0147 X(o=-1.5,f=-1.5) USER MOD Set 2.2: A 65 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Set 3.1: A 49 TYR OH : rot 30:sc= -1.04 USER MOD Set 3.2: A 57 LYS NZ :NH3+ 145:sc= 1.41 (180deg=0.713) USER MOD Set 4.1: A 33 HIS : no HD1:sc= -4.91! C(o=-5.6!,f=-9.2!) USER MOD Set 4.2: A 36 MET CE :methyl -124:sc= -0.728 (180deg=0) USER MOD Set 5.1: A 6 LYS NZ :NH3+ -173:sc= -0.0494 (180deg=-0.125) USER MOD Set 5.2: A 13 LYS NZ :NH3+ 138:sc= -0.329 (180deg=-1.08) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= -1.02 (180deg=-1.06) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0173 (180deg=-0.226) USER MOD Single : A 16 THR OG1 : rot -64:sc= -0.857 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 144:sc= -1.41 (180deg=-2.76!) USER MOD Single : A 25 LYS NZ :NH3+ -102:sc= -0.227 (180deg=-1.17!) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.598 (180deg=0.0822) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.15 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -29:sc= 0.349 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0.0044 (180deg=0.00196) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.37) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -144:sc= 0.453 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.52) USER MOD Single : A 82 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.67) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00734) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.355 4.425 -10.308 1.00 0.00 N ATOM 2 CA MET A 1 -8.299 4.780 -9.216 1.00 0.00 C ATOM 3 C MET A 1 -7.560 5.006 -7.901 1.00 0.00 C ATOM 4 O MET A 1 -6.988 4.077 -7.332 1.00 0.00 O ATOM 5 CB MET A 1 -9.316 3.647 -9.064 1.00 0.00 C ATOM 6 CG MET A 1 -10.736 4.132 -8.824 1.00 0.00 C ATOM 7 SD MET A 1 -11.972 3.093 -9.628 1.00 0.00 S ATOM 8 CE MET A 1 -12.426 4.122 -11.021 1.00 0.00 C ATOM 0 H1 MET A 1 -7.885 4.277 -11.191 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.671 5.197 -10.440 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.848 3.552 -10.058 1.00 0.00 H new ATOM 0 HA MET A 1 -8.808 5.710 -9.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.298 3.031 -9.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.014 3.008 -8.234 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.931 4.157 -7.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.833 5.154 -9.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.185 3.614 -11.616 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.823 5.070 -10.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.547 4.309 -11.637 1.00 0.00 H new ATOM 20 N LYS A 2 -7.580 6.246 -7.423 1.00 0.00 N ATOM 21 CA LYS A 2 -6.912 6.595 -6.174 1.00 0.00 C ATOM 22 C LYS A 2 -7.923 7.032 -5.120 1.00 0.00 C ATOM 23 O LYS A 2 -9.075 7.329 -5.436 1.00 0.00 O ATOM 24 CB LYS A 2 -5.892 7.712 -6.410 1.00 0.00 C ATOM 25 CG LYS A 2 -5.049 7.515 -7.660 1.00 0.00 C ATOM 26 CD LYS A 2 -5.409 8.522 -8.743 1.00 0.00 C ATOM 27 CE LYS A 2 -4.170 9.055 -9.446 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.035 8.507 -10.824 1.00 0.00 N ATOM 0 H LYS A 2 -8.051 7.026 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.393 5.708 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.419 8.663 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.233 7.779 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.993 7.614 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.192 6.504 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.068 8.052 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.962 9.351 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.218 10.143 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.284 8.799 -8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.179 8.894 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.964 7.470 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.868 8.773 -11.387 1.00 0.00 H new ATOM 42 N LYS A 3 -7.485 7.069 -3.866 1.00 0.00 N ATOM 43 CA LYS A 3 -8.352 7.472 -2.766 1.00 0.00 C ATOM 44 C LYS A 3 -8.097 8.927 -2.380 1.00 0.00 C ATOM 45 O LYS A 3 -7.305 9.619 -3.020 1.00 0.00 O ATOM 46 CB LYS A 3 -8.134 6.563 -1.555 1.00 0.00 C ATOM 47 CG LYS A 3 -6.697 6.542 -1.058 1.00 0.00 C ATOM 48 CD LYS A 3 -6.610 6.023 0.368 1.00 0.00 C ATOM 49 CE LYS A 3 -5.369 5.169 0.576 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.642 3.998 1.453 1.00 0.00 N ATOM 0 H LYS A 3 -6.535 6.825 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.386 7.378 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.785 6.890 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.434 5.548 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.093 5.914 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.279 7.547 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.595 6.864 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.499 5.436 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.001 4.822 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.580 5.777 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.760 3.470 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.017 4.328 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.340 3.377 0.996 1.00 0.00 H new ATOM 64 N LEU A 4 -8.774 9.385 -1.332 1.00 0.00 N ATOM 65 CA LEU A 4 -8.618 10.757 -0.863 1.00 0.00 C ATOM 66 C LEU A 4 -7.966 10.791 0.516 1.00 0.00 C ATOM 67 O LEU A 4 -7.418 9.789 0.977 1.00 0.00 O ATOM 68 CB LEU A 4 -9.979 11.457 -0.821 1.00 0.00 C ATOM 69 CG LEU A 4 -10.823 11.308 -2.088 1.00 0.00 C ATOM 70 CD1 LEU A 4 -11.647 10.028 -2.034 1.00 0.00 C ATOM 71 CD2 LEU A 4 -11.726 12.519 -2.271 1.00 0.00 C ATOM 0 H LEU A 4 -9.435 8.827 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.968 11.285 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.546 11.065 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.819 12.519 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.152 11.247 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.241 9.939 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.981 9.170 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.310 10.058 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.320 12.397 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.390 12.611 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.116 13.418 -2.356 1.00 0.00 H new ATOM 83 N LYS A 5 -8.028 11.946 1.171 1.00 0.00 N ATOM 84 CA LYS A 5 -7.442 12.110 2.499 1.00 0.00 C ATOM 85 C LYS A 5 -5.918 12.105 2.424 1.00 0.00 C ATOM 86 O LYS A 5 -5.270 11.130 2.802 1.00 0.00 O ATOM 87 CB LYS A 5 -7.923 11.000 3.439 1.00 0.00 C ATOM 88 CG LYS A 5 -8.114 11.461 4.874 1.00 0.00 C ATOM 89 CD LYS A 5 -9.062 10.543 5.629 1.00 0.00 C ATOM 90 CE LYS A 5 -8.965 10.754 7.130 1.00 0.00 C ATOM 91 NZ LYS A 5 -9.510 9.594 7.890 1.00 0.00 N ATOM 0 H LYS A 5 -8.479 12.784 0.804 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.767 13.073 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.866 10.602 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.202 10.182 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.149 11.487 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.506 12.478 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.085 10.725 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.831 9.505 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.923 10.913 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.510 11.657 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.426 9.777 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.511 9.458 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.974 8.737 7.646 1.00 0.00 H new ATOM 105 N LYS A 6 -5.352 13.202 1.932 1.00 0.00 N ATOM 106 CA LYS A 6 -3.905 13.326 1.805 1.00 0.00 C ATOM 107 C LYS A 6 -3.423 14.660 2.370 1.00 0.00 C ATOM 108 O LYS A 6 -3.898 15.722 1.971 1.00 0.00 O ATOM 109 CB LYS A 6 -3.489 13.198 0.340 1.00 0.00 C ATOM 110 CG LYS A 6 -3.582 11.779 -0.194 1.00 0.00 C ATOM 111 CD LYS A 6 -4.972 11.473 -0.728 1.00 0.00 C ATOM 112 CE LYS A 6 -5.027 11.594 -2.241 1.00 0.00 C ATOM 113 NZ LYS A 6 -4.591 12.940 -2.708 1.00 0.00 N ATOM 0 H LYS A 6 -5.874 14.019 1.614 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.443 12.521 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.119 13.848 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.465 13.553 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.848 11.639 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.333 11.074 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.263 10.465 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.693 12.157 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.391 10.831 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.044 11.403 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.755 13.022 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.135 13.673 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.578 13.065 -2.508 1.00 0.00 H new ATOM 127 N HIS A 7 -2.475 14.595 3.300 1.00 0.00 N ATOM 128 CA HIS A 7 -1.930 15.797 3.919 1.00 0.00 C ATOM 129 C HIS A 7 -0.489 16.037 3.474 1.00 0.00 C ATOM 130 O HIS A 7 0.143 15.157 2.890 1.00 0.00 O ATOM 131 CB HIS A 7 -1.997 15.684 5.445 1.00 0.00 C ATOM 132 CG HIS A 7 -3.039 16.564 6.063 1.00 0.00 C ATOM 133 ND1 HIS A 7 -4.189 16.946 5.404 1.00 0.00 N ATOM 134 CD2 HIS A 7 -3.100 17.140 7.287 1.00 0.00 C ATOM 135 CE1 HIS A 7 -4.912 17.719 6.196 1.00 0.00 C ATOM 136 NE2 HIS A 7 -4.274 17.851 7.343 1.00 0.00 N ATOM 0 H HIS A 7 -2.069 13.723 3.641 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.533 16.646 3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.200 14.648 5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.023 15.938 5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.363 17.056 8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.863 18.166 5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.600 18.394 8.143 1.00 0.00 H new ATOM 145 N PRO A 8 0.051 17.237 3.747 1.00 0.00 N ATOM 146 CA PRO A 8 1.425 17.590 3.373 1.00 0.00 C ATOM 147 C PRO A 8 2.467 16.807 4.166 1.00 0.00 C ATOM 148 O PRO A 8 3.654 16.830 3.836 1.00 0.00 O ATOM 149 CB PRO A 8 1.515 19.081 3.706 1.00 0.00 C ATOM 150 CG PRO A 8 0.482 19.299 4.756 1.00 0.00 C ATOM 151 CD PRO A 8 -0.634 18.343 4.443 1.00 0.00 C ATOM 0 HA PRO A 8 1.630 17.358 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.509 19.346 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.321 19.695 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.890 19.111 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.127 20.330 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.135 18.000 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.394 18.805 3.813 1.00 0.00 H new ATOM 159 N ASP A 9 2.024 16.115 5.212 1.00 0.00 N ATOM 160 CA ASP A 9 2.927 15.331 6.047 1.00 0.00 C ATOM 161 C ASP A 9 2.364 13.938 6.311 1.00 0.00 C ATOM 162 O ASP A 9 2.637 13.335 7.350 1.00 0.00 O ATOM 163 CB ASP A 9 3.179 16.050 7.372 1.00 0.00 C ATOM 164 CG ASP A 9 1.910 16.239 8.180 1.00 0.00 C ATOM 165 OD1 ASP A 9 0.820 16.270 7.570 1.00 0.00 O ATOM 166 OD2 ASP A 9 2.007 16.357 9.419 1.00 0.00 O ATOM 0 H ASP A 9 1.046 16.082 5.501 1.00 0.00 H new ATOM 0 HA ASP A 9 3.870 15.222 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.899 15.480 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.628 17.023 7.174 1.00 0.00 H new ATOM 171 N PHE A 10 1.582 13.427 5.366 1.00 0.00 N ATOM 172 CA PHE A 10 0.986 12.103 5.502 1.00 0.00 C ATOM 173 C PHE A 10 0.387 11.636 4.176 1.00 0.00 C ATOM 174 O PHE A 10 -0.782 11.892 3.889 1.00 0.00 O ATOM 175 CB PHE A 10 -0.091 12.112 6.590 1.00 0.00 C ATOM 176 CG PHE A 10 0.210 11.192 7.738 1.00 0.00 C ATOM 177 CD1 PHE A 10 0.678 9.907 7.509 1.00 0.00 C ATOM 178 CD2 PHE A 10 0.025 11.611 9.046 1.00 0.00 C ATOM 179 CE1 PHE A 10 0.957 9.059 8.563 1.00 0.00 C ATOM 180 CE2 PHE A 10 0.301 10.765 10.104 1.00 0.00 C ATOM 181 CZ PHE A 10 0.767 9.488 9.863 1.00 0.00 C ATOM 0 H PHE A 10 1.346 13.909 4.499 1.00 0.00 H new ATOM 0 HA PHE A 10 1.773 11.406 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.205 13.128 6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.046 11.828 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.826 9.565 6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.339 12.609 9.241 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.323 8.061 8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.152 11.103 11.119 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.983 8.826 10.688 1.00 0.00 H new ATOM 191 N PRO A 11 1.186 10.945 3.345 1.00 0.00 N ATOM 192 CA PRO A 11 0.733 10.446 2.047 1.00 0.00 C ATOM 193 C PRO A 11 -0.050 9.143 2.161 1.00 0.00 C ATOM 194 O PRO A 11 -0.143 8.550 3.236 1.00 0.00 O ATOM 195 CB PRO A 11 2.043 10.218 1.299 1.00 0.00 C ATOM 196 CG PRO A 11 3.022 9.854 2.362 1.00 0.00 C ATOM 197 CD PRO A 11 2.598 10.598 3.605 1.00 0.00 C ATOM 0 HA PRO A 11 0.050 11.138 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.945 9.422 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.355 11.114 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.025 8.778 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.034 10.132 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.700 9.979 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.206 11.489 3.765 1.00 0.00 H new ATOM 205 N LYS A 12 -0.610 8.701 1.039 1.00 0.00 N ATOM 206 CA LYS A 12 -1.387 7.468 0.997 1.00 0.00 C ATOM 207 C LYS A 12 -1.916 7.221 -0.412 1.00 0.00 C ATOM 208 O LYS A 12 -2.940 7.778 -0.807 1.00 0.00 O ATOM 209 CB LYS A 12 -2.549 7.532 1.993 1.00 0.00 C ATOM 210 CG LYS A 12 -2.494 6.452 3.062 1.00 0.00 C ATOM 211 CD LYS A 12 -3.885 6.055 3.524 1.00 0.00 C ATOM 212 CE LYS A 12 -3.886 5.623 4.980 1.00 0.00 C ATOM 213 NZ LYS A 12 -3.661 6.773 5.900 1.00 0.00 N ATOM 0 H LYS A 12 -0.539 9.182 0.142 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.734 6.641 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.550 8.509 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.489 7.445 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.976 5.577 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.915 6.810 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.567 6.895 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.258 5.241 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.838 5.149 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.109 4.875 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.980 6.520 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.648 7.006 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.198 7.597 5.563 1.00 0.00 H new ATOM 227 N LYS A 13 -1.206 6.390 -1.169 1.00 0.00 N ATOM 228 CA LYS A 13 -1.604 6.080 -2.539 1.00 0.00 C ATOM 229 C LYS A 13 -1.347 4.611 -2.882 1.00 0.00 C ATOM 230 O LYS A 13 -2.287 3.862 -3.145 1.00 0.00 O ATOM 231 CB LYS A 13 -0.871 6.996 -3.524 1.00 0.00 C ATOM 232 CG LYS A 13 -1.358 8.436 -3.490 1.00 0.00 C ATOM 233 CD LYS A 13 -1.956 8.862 -4.822 1.00 0.00 C ATOM 234 CE LYS A 13 -1.644 10.318 -5.133 1.00 0.00 C ATOM 235 NZ LYS A 13 -2.132 11.234 -4.065 1.00 0.00 N ATOM 0 H LYS A 13 -0.355 5.920 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.677 6.255 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.196 6.976 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.993 6.603 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.105 8.549 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.527 9.095 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.565 8.227 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.036 8.717 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.567 10.441 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.103 10.592 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.413 11.962 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.014 11.690 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.310 10.691 -3.196 1.00 0.00 H new ATOM 249 N PRO A 14 -0.073 4.168 -2.886 1.00 0.00 N ATOM 250 CA PRO A 14 0.279 2.781 -3.202 1.00 0.00 C ATOM 251 C PRO A 14 -0.524 1.779 -2.380 1.00 0.00 C ATOM 252 O PRO A 14 -1.283 2.156 -1.489 1.00 0.00 O ATOM 253 CB PRO A 14 1.773 2.684 -2.854 1.00 0.00 C ATOM 254 CG PRO A 14 2.084 3.928 -2.089 1.00 0.00 C ATOM 255 CD PRO A 14 1.125 4.966 -2.590 1.00 0.00 C ATOM 0 HA PRO A 14 0.061 2.541 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.981 1.795 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.382 2.614 -3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.963 3.769 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.116 4.239 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.928 5.733 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.503 5.476 -3.476 1.00 0.00 H new ATOM 263 N LEU A 15 -0.348 0.498 -2.689 1.00 0.00 N ATOM 264 CA LEU A 15 -1.055 -0.563 -1.982 1.00 0.00 C ATOM 265 C LEU A 15 -0.072 -1.510 -1.300 1.00 0.00 C ATOM 266 O LEU A 15 1.143 -1.339 -1.403 1.00 0.00 O ATOM 267 CB LEU A 15 -1.944 -1.343 -2.950 1.00 0.00 C ATOM 268 CG LEU A 15 -2.890 -0.484 -3.795 1.00 0.00 C ATOM 269 CD1 LEU A 15 -2.876 -0.939 -5.246 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.302 -0.533 -3.232 1.00 0.00 C ATOM 0 H LEU A 15 0.278 0.170 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.680 -0.103 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.307 -1.921 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.538 -2.057 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.541 0.548 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.554 -0.316 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.866 -0.849 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.198 -1.979 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.960 0.083 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.660 -1.562 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.299 -0.155 -2.210 1.00 0.00 H new ATOM 282 N THR A 16 -0.606 -2.507 -0.606 1.00 0.00 N ATOM 283 CA THR A 16 0.222 -3.482 0.094 1.00 0.00 C ATOM 284 C THR A 16 0.529 -4.679 -0.803 1.00 0.00 C ATOM 285 O THR A 16 -0.088 -4.849 -1.854 1.00 0.00 O ATOM 286 CB THR A 16 -0.480 -3.948 1.372 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.796 -4.389 1.089 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.577 -2.865 2.427 1.00 0.00 C ATOM 0 H THR A 16 -1.610 -2.662 -0.513 1.00 0.00 H new ATOM 0 HA THR A 16 1.164 -3.003 0.360 1.00 0.00 H new ATOM 0 HB THR A 16 0.134 -4.761 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.329 -3.637 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.085 -3.259 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.425 -2.535 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.141 -2.021 2.031 1.00 0.00 H new ATOM 296 N PRO A 17 1.489 -5.532 -0.400 1.00 0.00 N ATOM 297 CA PRO A 17 1.862 -6.713 -1.179 1.00 0.00 C ATOM 298 C PRO A 17 0.688 -7.671 -1.329 1.00 0.00 C ATOM 299 O PRO A 17 0.512 -8.297 -2.375 1.00 0.00 O ATOM 300 CB PRO A 17 2.990 -7.360 -0.368 1.00 0.00 C ATOM 301 CG PRO A 17 3.451 -6.311 0.587 1.00 0.00 C ATOM 302 CD PRO A 17 2.273 -5.417 0.840 1.00 0.00 C ATOM 0 HA PRO A 17 2.167 -6.456 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.634 -8.244 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.804 -7.684 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.804 -6.760 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.284 -5.746 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.701 -5.742 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.581 -4.388 1.027 1.00 0.00 H new ATOM 310 N TYR A 18 -0.121 -7.766 -0.281 1.00 0.00 N ATOM 311 CA TYR A 18 -1.292 -8.633 -0.294 1.00 0.00 C ATOM 312 C TYR A 18 -2.387 -8.016 -1.155 1.00 0.00 C ATOM 313 O TYR A 18 -3.166 -8.725 -1.792 1.00 0.00 O ATOM 314 CB TYR A 18 -1.804 -8.859 1.129 1.00 0.00 C ATOM 315 CG TYR A 18 -3.023 -9.753 1.203 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.103 -10.914 0.443 1.00 0.00 C ATOM 317 CD2 TYR A 18 -4.091 -9.435 2.031 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.215 -11.732 0.508 1.00 0.00 C ATOM 319 CE2 TYR A 18 -5.205 -10.249 2.102 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.262 -11.396 1.339 1.00 0.00 C ATOM 321 OH TYR A 18 -6.370 -12.209 1.407 1.00 0.00 O ATOM 0 H TYR A 18 0.013 -7.252 0.590 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.009 -9.597 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.006 -9.298 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.044 -7.895 1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.284 -11.181 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.050 -8.537 2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.263 -12.630 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.027 -9.988 2.752 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.015 -11.830 2.040 1.00 0.00 H new ATOM 331 N PHE A 19 -2.432 -6.686 -1.179 1.00 0.00 N ATOM 332 CA PHE A 19 -3.419 -5.967 -1.972 1.00 0.00 C ATOM 333 C PHE A 19 -3.165 -6.184 -3.457 1.00 0.00 C ATOM 334 O PHE A 19 -4.038 -6.654 -4.184 1.00 0.00 O ATOM 335 CB PHE A 19 -3.379 -4.471 -1.643 1.00 0.00 C ATOM 336 CG PHE A 19 -4.091 -4.100 -0.367 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.455 -5.070 0.557 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.393 -2.777 -0.095 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.105 -4.724 1.726 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.044 -2.426 1.073 1.00 0.00 C ATOM 341 CZ PHE A 19 -5.400 -3.401 1.984 1.00 0.00 C ATOM 0 H PHE A 19 -1.794 -6.086 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.408 -6.353 -1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.339 -4.154 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.825 -3.917 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.227 -6.107 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.117 -2.010 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.382 -5.488 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.274 -1.390 1.273 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.909 -3.128 2.897 1.00 0.00 H new ATOM 351 N ARG A 20 -1.954 -5.854 -3.901 1.00 0.00 N ATOM 352 CA ARG A 20 -1.582 -6.031 -5.302 1.00 0.00 C ATOM 353 C ARG A 20 -1.774 -7.484 -5.736 1.00 0.00 C ATOM 354 O ARG A 20 -1.888 -7.778 -6.927 1.00 0.00 O ATOM 355 CB ARG A 20 -0.127 -5.610 -5.519 1.00 0.00 C ATOM 356 CG ARG A 20 0.182 -4.206 -5.023 1.00 0.00 C ATOM 357 CD ARG A 20 1.659 -3.879 -5.167 1.00 0.00 C ATOM 358 NE ARG A 20 2.069 -3.800 -6.566 1.00 0.00 N ATOM 359 CZ ARG A 20 3.171 -3.181 -6.983 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.977 -2.587 -6.110 1.00 0.00 N ATOM 361 NH2 ARG A 20 3.470 -3.156 -8.275 1.00 0.00 N ATOM 0 H ARG A 20 -1.217 -5.464 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.231 -5.400 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.527 -6.318 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.105 -5.670 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.409 -3.482 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.112 -4.115 -3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.870 -2.930 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.250 -4.641 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 20 1.475 -4.246 -7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.753 -2.604 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.820 -2.114 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.855 -3.611 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.315 -2.681 -8.594 1.00 0.00 H new ATOM 375 N PHE A 21 -1.810 -8.386 -4.758 1.00 0.00 N ATOM 376 CA PHE A 21 -1.989 -9.809 -5.018 1.00 0.00 C ATOM 377 C PHE A 21 -3.473 -10.170 -5.067 1.00 0.00 C ATOM 378 O PHE A 21 -3.924 -10.912 -5.945 1.00 0.00 O ATOM 379 CB PHE A 21 -1.299 -10.613 -3.909 1.00 0.00 C ATOM 380 CG PHE A 21 -0.791 -11.965 -4.334 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.504 -12.749 -5.228 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.401 -12.455 -3.825 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.035 -13.993 -5.606 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.874 -13.697 -4.199 1.00 0.00 C ATOM 385 CZ PHE A 21 0.154 -14.468 -5.091 1.00 0.00 C ATOM 0 H PHE A 21 -1.716 -8.152 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.546 -10.049 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.462 -10.030 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.001 -10.746 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.436 -12.384 -5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.968 -11.857 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.599 -14.593 -6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.805 -14.065 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.521 -15.440 -5.385 1.00 0.00 H new ATOM 395 N PHE A 22 -4.231 -9.634 -4.115 1.00 0.00 N ATOM 396 CA PHE A 22 -5.658 -9.897 -4.032 1.00 0.00 C ATOM 397 C PHE A 22 -6.405 -9.079 -5.069 1.00 0.00 C ATOM 398 O PHE A 22 -7.154 -9.610 -5.887 1.00 0.00 O ATOM 399 CB PHE A 22 -6.153 -9.570 -2.617 1.00 0.00 C ATOM 400 CG PHE A 22 -7.638 -9.688 -2.430 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.490 -8.704 -2.899 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.180 -10.780 -1.772 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.856 -8.807 -2.720 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.545 -10.890 -1.587 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.384 -9.902 -2.062 1.00 0.00 C ATOM 0 H PHE A 22 -3.876 -9.012 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.847 -10.951 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.657 -10.236 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.848 -8.554 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.082 -7.845 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.527 -11.555 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.510 -8.033 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.954 -11.747 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.451 -9.984 -1.920 1.00 0.00 H new ATOM 415 N MET A 23 -6.170 -7.781 -5.030 1.00 0.00 N ATOM 416 CA MET A 23 -6.785 -6.850 -5.954 1.00 0.00 C ATOM 417 C MET A 23 -6.519 -7.249 -7.409 1.00 0.00 C ATOM 418 O MET A 23 -7.244 -6.838 -8.316 1.00 0.00 O ATOM 419 CB MET A 23 -6.238 -5.450 -5.655 1.00 0.00 C ATOM 420 CG MET A 23 -5.168 -4.970 -6.624 1.00 0.00 C ATOM 421 SD MET A 23 -5.860 -4.235 -8.119 1.00 0.00 S ATOM 422 CE MET A 23 -4.427 -4.245 -9.192 1.00 0.00 C ATOM 0 H MET A 23 -5.545 -7.342 -4.354 1.00 0.00 H new ATOM 0 HA MET A 23 -7.867 -6.862 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.065 -4.740 -5.667 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.826 -5.443 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.534 -4.238 -6.124 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.530 -5.810 -6.899 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.740 -4.451 -10.216 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.935 -3.273 -9.151 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.732 -5.017 -8.863 1.00 0.00 H new ATOM 432 N GLU A 24 -5.473 -8.046 -7.621 1.00 0.00 N ATOM 433 CA GLU A 24 -5.106 -8.492 -8.961 1.00 0.00 C ATOM 434 C GLU A 24 -5.958 -9.669 -9.422 1.00 0.00 C ATOM 435 O GLU A 24 -6.582 -9.617 -10.482 1.00 0.00 O ATOM 436 CB GLU A 24 -3.630 -8.897 -8.992 1.00 0.00 C ATOM 437 CG GLU A 24 -2.712 -7.819 -9.540 1.00 0.00 C ATOM 438 CD GLU A 24 -3.149 -7.313 -10.901 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.253 -8.136 -11.835 1.00 0.00 O ATOM 440 OE2 GLU A 24 -3.387 -6.094 -11.033 1.00 0.00 O ATOM 0 H GLU A 24 -4.865 -8.396 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.281 -7.658 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.312 -9.154 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.522 -9.796 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.680 -6.984 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.698 -8.213 -9.612 1.00 0.00 H new ATOM 447 N LYS A 25 -5.958 -10.740 -8.636 1.00 0.00 N ATOM 448 CA LYS A 25 -6.709 -11.941 -8.985 1.00 0.00 C ATOM 449 C LYS A 25 -8.203 -11.791 -8.716 1.00 0.00 C ATOM 450 O LYS A 25 -8.995 -12.649 -9.101 1.00 0.00 O ATOM 451 CB LYS A 25 -6.146 -13.142 -8.233 1.00 0.00 C ATOM 452 CG LYS A 25 -4.808 -13.600 -8.784 1.00 0.00 C ATOM 453 CD LYS A 25 -3.716 -13.569 -7.729 1.00 0.00 C ATOM 454 CE LYS A 25 -2.344 -13.406 -8.362 1.00 0.00 C ATOM 455 NZ LYS A 25 -1.694 -14.720 -8.630 1.00 0.00 N ATOM 0 H LYS A 25 -5.448 -10.802 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.596 -12.099 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.033 -12.886 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.858 -13.966 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.905 -14.613 -9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.523 -12.961 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.899 -12.748 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.743 -14.490 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.439 -12.851 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.708 -12.815 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.980 -14.910 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.412 -15.472 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.235 -14.696 -9.563 1.00 0.00 H new ATOM 469 N ARG A 26 -8.586 -10.696 -8.072 1.00 0.00 N ATOM 470 CA ARG A 26 -9.986 -10.437 -7.776 1.00 0.00 C ATOM 471 C ARG A 26 -10.822 -10.542 -9.042 1.00 0.00 C ATOM 472 O ARG A 26 -11.994 -10.916 -9.001 1.00 0.00 O ATOM 473 CB ARG A 26 -10.139 -9.049 -7.152 1.00 0.00 C ATOM 474 CG ARG A 26 -10.144 -9.070 -5.634 1.00 0.00 C ATOM 475 CD ARG A 26 -11.112 -10.111 -5.112 1.00 0.00 C ATOM 476 NE ARG A 26 -10.448 -11.364 -4.761 1.00 0.00 N ATOM 477 CZ ARG A 26 -10.924 -12.230 -3.869 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.024 -11.954 -3.179 1.00 0.00 N ATOM 479 NH2 ARG A 26 -10.296 -13.377 -3.665 1.00 0.00 N ATOM 0 H ARG A 26 -7.945 -9.973 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.340 -11.184 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.325 -8.412 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.067 -8.600 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.141 -9.283 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.421 -8.087 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.626 -9.718 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.874 -10.306 -5.867 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.569 -11.588 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.513 -11.072 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.380 -12.624 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.450 -13.596 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.658 -14.042 -2.982 1.00 0.00 H new ATOM 493 N ALA A 27 -10.198 -10.223 -10.167 1.00 0.00 N ATOM 494 CA ALA A 27 -10.863 -10.296 -11.457 1.00 0.00 C ATOM 495 C ALA A 27 -10.962 -11.744 -11.910 1.00 0.00 C ATOM 496 O ALA A 27 -11.933 -12.150 -12.546 1.00 0.00 O ATOM 497 CB ALA A 27 -10.092 -9.486 -12.482 1.00 0.00 C ATOM 0 H ALA A 27 -9.228 -9.910 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.868 -9.885 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.596 -9.545 -13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.043 -8.445 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.082 -9.885 -12.576 1.00 0.00 H new ATOM 503 N LYS A 28 -9.931 -12.509 -11.578 1.00 0.00 N ATOM 504 CA LYS A 28 -9.868 -13.920 -11.947 1.00 0.00 C ATOM 505 C LYS A 28 -10.506 -14.821 -10.889 1.00 0.00 C ATOM 506 O LYS A 28 -10.629 -16.028 -11.091 1.00 0.00 O ATOM 507 CB LYS A 28 -8.413 -14.332 -12.164 1.00 0.00 C ATOM 508 CG LYS A 28 -8.250 -15.547 -13.065 1.00 0.00 C ATOM 509 CD LYS A 28 -7.645 -16.726 -12.315 1.00 0.00 C ATOM 510 CE LYS A 28 -8.677 -17.812 -12.051 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.849 -18.072 -10.594 1.00 0.00 N ATOM 0 H LYS A 28 -9.123 -12.176 -11.052 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.434 -14.044 -12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.868 -13.493 -12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.956 -14.544 -11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.221 -15.833 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.614 -15.289 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.820 -17.141 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.229 -16.381 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.633 -17.517 -12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.372 -18.732 -12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.167 -19.052 -10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.942 -17.928 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.559 -17.418 -10.206 1.00 0.00 H new ATOM 525 N TYR A 29 -10.912 -14.238 -9.764 1.00 0.00 N ATOM 526 CA TYR A 29 -11.532 -15.010 -8.691 1.00 0.00 C ATOM 527 C TYR A 29 -13.047 -14.866 -8.724 1.00 0.00 C ATOM 528 O TYR A 29 -13.777 -15.779 -8.341 1.00 0.00 O ATOM 529 CB TYR A 29 -10.995 -14.571 -7.327 1.00 0.00 C ATOM 530 CG TYR A 29 -9.729 -15.278 -6.924 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.683 -16.663 -6.817 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.576 -14.560 -6.650 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.520 -17.310 -6.447 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.412 -15.196 -6.281 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.386 -16.572 -6.181 1.00 0.00 C ATOM 536 OH TYR A 29 -6.225 -17.210 -5.813 1.00 0.00 O ATOM 0 H TYR A 29 -10.824 -13.240 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.279 -16.059 -8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.811 -13.497 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.759 -14.750 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.570 -17.242 -7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.591 -13.483 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.499 -18.387 -6.367 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.523 -14.620 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.520 -16.546 -5.663 1.00 0.00 H new ATOM 546 N ALA A 30 -13.515 -13.715 -9.190 1.00 0.00 N ATOM 547 CA ALA A 30 -14.945 -13.455 -9.280 1.00 0.00 C ATOM 548 C ALA A 30 -15.541 -14.111 -10.520 1.00 0.00 C ATOM 549 O ALA A 30 -16.752 -14.317 -10.606 1.00 0.00 O ATOM 550 CB ALA A 30 -15.210 -11.957 -9.293 1.00 0.00 C ATOM 0 H ALA A 30 -12.925 -12.947 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.426 -13.888 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.283 -11.778 -9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.825 -11.511 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.712 -11.507 -10.152 1.00 0.00 H new ATOM 556 N LYS A 31 -14.681 -14.434 -11.480 1.00 0.00 N ATOM 557 CA LYS A 31 -15.115 -15.062 -12.720 1.00 0.00 C ATOM 558 C LYS A 31 -15.136 -16.583 -12.593 1.00 0.00 C ATOM 559 O LYS A 31 -15.884 -17.262 -13.295 1.00 0.00 O ATOM 560 CB LYS A 31 -14.187 -14.645 -13.860 1.00 0.00 C ATOM 561 CG LYS A 31 -14.925 -14.256 -15.129 1.00 0.00 C ATOM 562 CD LYS A 31 -15.323 -12.789 -15.114 1.00 0.00 C ATOM 563 CE LYS A 31 -16.443 -12.507 -16.103 1.00 0.00 C ATOM 564 NZ LYS A 31 -15.919 -12.106 -17.437 1.00 0.00 N ATOM 0 H LYS A 31 -13.676 -14.270 -11.421 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.130 -14.729 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.576 -13.804 -13.532 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.506 -15.466 -14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.292 -14.454 -15.994 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.816 -14.875 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.642 -12.508 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.457 -12.173 -15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.065 -13.396 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.082 -11.716 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.714 -11.923 -18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.346 -11.243 -17.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.330 -12.871 -17.823 1.00 0.00 H new ATOM 578 N LEU A 32 -14.306 -17.111 -11.699 1.00 0.00 N ATOM 579 CA LEU A 32 -14.226 -18.553 -11.489 1.00 0.00 C ATOM 580 C LEU A 32 -14.978 -18.985 -10.229 1.00 0.00 C ATOM 581 O LEU A 32 -15.050 -20.176 -9.923 1.00 0.00 O ATOM 582 CB LEU A 32 -12.764 -18.989 -11.393 1.00 0.00 C ATOM 583 CG LEU A 32 -12.548 -20.496 -11.222 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.578 -21.022 -12.269 1.00 0.00 C ATOM 585 CD2 LEU A 32 -12.043 -20.808 -9.821 1.00 0.00 C ATOM 0 H LEU A 32 -13.680 -16.563 -11.109 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.698 -19.037 -12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.243 -18.662 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.301 -18.473 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.506 -20.997 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.439 -22.094 -12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.980 -20.835 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.619 -20.515 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.895 -21.883 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.097 -20.294 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.775 -20.471 -9.087 1.00 0.00 H new ATOM 597 N HIS A 33 -15.530 -18.021 -9.498 1.00 0.00 N ATOM 598 CA HIS A 33 -16.267 -18.322 -8.275 1.00 0.00 C ATOM 599 C HIS A 33 -17.678 -17.741 -8.324 1.00 0.00 C ATOM 600 O HIS A 33 -18.071 -16.965 -7.452 1.00 0.00 O ATOM 601 CB HIS A 33 -15.510 -17.781 -7.060 1.00 0.00 C ATOM 602 CG HIS A 33 -14.185 -18.449 -6.849 1.00 0.00 C ATOM 603 ND1 HIS A 33 -13.932 -19.301 -5.796 1.00 0.00 N ATOM 604 CD2 HIS A 33 -13.042 -18.398 -7.575 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.692 -19.748 -5.883 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.130 -19.214 -6.953 1.00 0.00 N ATOM 0 H HIS A 33 -15.481 -17.029 -9.730 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.354 -19.405 -8.187 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.354 -16.709 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.123 -17.913 -6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.879 -17.823 -8.475 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.218 -20.434 -5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.174 -19.381 -7.266 1.00 0.00 H new ATOM 615 N PRO A 34 -18.463 -18.116 -9.350 1.00 0.00 N ATOM 616 CA PRO A 34 -19.837 -17.634 -9.510 1.00 0.00 C ATOM 617 C PRO A 34 -20.810 -18.312 -8.551 1.00 0.00 C ATOM 618 O PRO A 34 -21.910 -17.813 -8.313 1.00 0.00 O ATOM 619 CB PRO A 34 -20.166 -18.007 -10.955 1.00 0.00 C ATOM 620 CG PRO A 34 -19.338 -19.215 -11.226 1.00 0.00 C ATOM 621 CD PRO A 34 -18.071 -19.041 -10.431 1.00 0.00 C ATOM 0 HA PRO A 34 -19.926 -16.570 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -21.228 -18.218 -11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.920 -17.196 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.863 -20.122 -10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.121 -19.308 -12.290 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.713 -19.991 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.268 -18.627 -11.041 1.00 0.00 H new ATOM 629 N GLU A 35 -20.400 -19.453 -8.000 1.00 0.00 N ATOM 630 CA GLU A 35 -21.240 -20.194 -7.066 1.00 0.00 C ATOM 631 C GLU A 35 -20.695 -20.103 -5.645 1.00 0.00 C ATOM 632 O GLU A 35 -21.010 -20.934 -4.793 1.00 0.00 O ATOM 633 CB GLU A 35 -21.343 -21.661 -7.493 1.00 0.00 C ATOM 634 CG GLU A 35 -20.002 -22.374 -7.552 1.00 0.00 C ATOM 635 CD GLU A 35 -19.872 -23.464 -6.505 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.619 -23.130 -5.328 1.00 0.00 O ATOM 637 OE2 GLU A 35 -20.023 -24.650 -6.863 1.00 0.00 O ATOM 0 H GLU A 35 -19.493 -19.882 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.234 -19.746 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.995 -22.188 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.816 -21.713 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.870 -22.810 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.202 -21.647 -7.415 1.00 0.00 H new ATOM 644 N MET A 36 -19.883 -19.082 -5.394 1.00 0.00 N ATOM 645 CA MET A 36 -19.298 -18.875 -4.075 1.00 0.00 C ATOM 646 C MET A 36 -19.820 -17.579 -3.457 1.00 0.00 C ATOM 647 O MET A 36 -20.828 -17.034 -3.905 1.00 0.00 O ATOM 648 CB MET A 36 -17.769 -18.846 -4.173 1.00 0.00 C ATOM 649 CG MET A 36 -17.185 -20.071 -4.858 1.00 0.00 C ATOM 650 SD MET A 36 -16.362 -21.189 -3.705 1.00 0.00 S ATOM 651 CE MET A 36 -15.111 -21.913 -4.765 1.00 0.00 C ATOM 0 H MET A 36 -19.615 -18.384 -6.088 1.00 0.00 H new ATOM 0 HA MET A 36 -19.589 -19.704 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.464 -17.953 -4.719 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.349 -18.765 -3.170 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.981 -20.608 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.473 -19.752 -5.619 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.210 -22.998 -4.756 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.240 -21.546 -5.783 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.121 -21.636 -4.402 1.00 0.00 H new ATOM 661 N SER A 37 -19.140 -17.096 -2.420 1.00 0.00 N ATOM 662 CA SER A 37 -19.554 -15.870 -1.744 1.00 0.00 C ATOM 663 C SER A 37 -18.401 -14.876 -1.625 1.00 0.00 C ATOM 664 O SER A 37 -18.489 -13.905 -0.873 1.00 0.00 O ATOM 665 CB SER A 37 -20.088 -16.202 -0.354 1.00 0.00 C ATOM 666 OG SER A 37 -21.481 -15.957 -0.267 1.00 0.00 O ATOM 0 H SER A 37 -18.304 -17.532 -2.031 1.00 0.00 H new ATOM 0 HA SER A 37 -20.338 -15.407 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.885 -17.248 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.564 -15.604 0.392 1.00 0.00 H new ATOM 0 HG SER A 37 -21.797 -16.180 0.634 1.00 0.00 H new ATOM 672 N ASN A 38 -17.319 -15.128 -2.362 1.00 0.00 N ATOM 673 CA ASN A 38 -16.138 -14.261 -2.338 1.00 0.00 C ATOM 674 C ASN A 38 -15.241 -14.575 -1.143 1.00 0.00 C ATOM 675 O ASN A 38 -14.063 -14.218 -1.132 1.00 0.00 O ATOM 676 CB ASN A 38 -16.558 -12.795 -2.303 1.00 0.00 C ATOM 677 CG ASN A 38 -15.478 -11.866 -2.821 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.264 -11.756 -4.029 1.00 0.00 O ATOM 679 ND2 ASN A 38 -14.792 -11.189 -1.908 1.00 0.00 N ATOM 0 H ASN A 38 -17.235 -15.930 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.569 -14.450 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.461 -12.665 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.810 -12.518 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.054 -10.547 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.003 -11.311 -0.918 1.00 0.00 H new ATOM 686 N LEU A 39 -15.799 -15.247 -0.144 1.00 0.00 N ATOM 687 CA LEU A 39 -15.041 -15.615 1.044 1.00 0.00 C ATOM 688 C LEU A 39 -14.135 -16.800 0.741 1.00 0.00 C ATOM 689 O LEU A 39 -13.020 -16.894 1.255 1.00 0.00 O ATOM 690 CB LEU A 39 -15.985 -15.955 2.198 1.00 0.00 C ATOM 691 CG LEU A 39 -16.378 -14.770 3.082 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.497 -15.164 4.035 1.00 0.00 C ATOM 693 CD2 LEU A 39 -15.172 -14.262 3.857 1.00 0.00 C ATOM 0 H LEU A 39 -16.774 -15.548 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.425 -14.766 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.892 -16.399 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.513 -16.714 2.822 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.739 -13.966 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.764 -14.309 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.368 -15.482 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.162 -15.984 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.469 -13.419 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.782 -15.061 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.399 -13.942 3.158 1.00 0.00 H new ATOM 705 N ASP A 40 -14.621 -17.698 -0.111 1.00 0.00 N ATOM 706 CA ASP A 40 -13.854 -18.874 -0.499 1.00 0.00 C ATOM 707 C ASP A 40 -12.587 -18.456 -1.234 1.00 0.00 C ATOM 708 O ASP A 40 -11.487 -18.901 -0.905 1.00 0.00 O ATOM 709 CB ASP A 40 -14.697 -19.793 -1.387 1.00 0.00 C ATOM 710 CG ASP A 40 -15.376 -20.895 -0.598 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.332 -20.591 0.146 1.00 0.00 O ATOM 712 OD2 ASP A 40 -14.950 -22.063 -0.722 1.00 0.00 O ATOM 0 H ASP A 40 -15.542 -17.633 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.576 -19.419 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.453 -19.201 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.061 -20.237 -2.153 1.00 0.00 H new ATOM 717 N LEU A 41 -12.751 -17.589 -2.227 1.00 0.00 N ATOM 718 CA LEU A 41 -11.622 -17.096 -3.009 1.00 0.00 C ATOM 719 C LEU A 41 -10.664 -16.303 -2.126 1.00 0.00 C ATOM 720 O LEU A 41 -9.447 -16.443 -2.235 1.00 0.00 O ATOM 721 CB LEU A 41 -12.105 -16.227 -4.179 1.00 0.00 C ATOM 722 CG LEU A 41 -13.433 -15.494 -3.959 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.402 -14.116 -4.604 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.589 -16.316 -4.512 1.00 0.00 C ATOM 0 H LEU A 41 -13.656 -17.212 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.092 -17.957 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.335 -15.488 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.202 -16.860 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.580 -15.364 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.355 -13.614 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.598 -13.526 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.231 -14.220 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.526 -15.783 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.444 -16.475 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.626 -17.279 -4.003 1.00 0.00 H new ATOM 736 N THR A 42 -11.218 -15.474 -1.247 1.00 0.00 N ATOM 737 CA THR A 42 -10.406 -14.666 -0.342 1.00 0.00 C ATOM 738 C THR A 42 -9.454 -15.550 0.457 1.00 0.00 C ATOM 739 O THR A 42 -8.290 -15.202 0.660 1.00 0.00 O ATOM 740 CB THR A 42 -11.304 -13.864 0.602 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.147 -12.991 -0.127 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.533 -13.028 1.600 1.00 0.00 C ATOM 0 H THR A 42 -12.224 -15.344 -1.142 1.00 0.00 H new ATOM 0 HA THR A 42 -9.813 -13.971 -0.937 1.00 0.00 H new ATOM 0 HB THR A 42 -11.883 -14.609 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.033 -13.398 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.232 -12.486 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.910 -13.678 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.901 -12.317 1.068 1.00 0.00 H new ATOM 750 N LYS A 43 -9.952 -16.702 0.898 1.00 0.00 N ATOM 751 CA LYS A 43 -9.142 -17.642 1.660 1.00 0.00 C ATOM 752 C LYS A 43 -7.974 -18.129 0.806 1.00 0.00 C ATOM 753 O LYS A 43 -6.855 -18.293 1.295 1.00 0.00 O ATOM 754 CB LYS A 43 -10.013 -18.817 2.134 1.00 0.00 C ATOM 755 CG LYS A 43 -9.309 -20.167 2.150 1.00 0.00 C ATOM 756 CD LYS A 43 -9.567 -20.941 0.867 1.00 0.00 C ATOM 757 CE LYS A 43 -10.811 -21.809 0.980 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.690 -23.057 0.180 1.00 0.00 N ATOM 0 H LYS A 43 -10.913 -17.005 0.740 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.735 -17.144 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.376 -18.600 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.888 -18.887 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.237 -20.019 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.655 -20.749 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.683 -20.244 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.705 -21.567 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.983 -22.063 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.680 -21.244 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.558 -23.621 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.552 -22.815 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.876 -23.609 0.519 1.00 0.00 H new ATOM 772 N ILE A 44 -8.248 -18.350 -0.474 1.00 0.00 N ATOM 773 CA ILE A 44 -7.233 -18.809 -1.415 1.00 0.00 C ATOM 774 C ILE A 44 -6.025 -17.879 -1.413 1.00 0.00 C ATOM 775 O ILE A 44 -4.882 -18.327 -1.329 1.00 0.00 O ATOM 776 CB ILE A 44 -7.797 -18.884 -2.849 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.024 -19.789 -2.899 1.00 0.00 C ATOM 778 CG2 ILE A 44 -6.739 -19.375 -3.824 1.00 0.00 C ATOM 779 CD1 ILE A 44 -9.736 -19.747 -4.230 1.00 0.00 C ATOM 0 H ILE A 44 -9.171 -18.218 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.927 -19.805 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.095 -17.878 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.721 -20.814 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.718 -19.494 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.162 -19.419 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.892 -18.690 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.404 -20.369 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.600 -20.412 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.068 -18.729 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.055 -20.070 -5.017 1.00 0.00 H new ATOM 791 N LEU A 45 -6.291 -16.582 -1.509 1.00 0.00 N ATOM 792 CA LEU A 45 -5.230 -15.585 -1.524 1.00 0.00 C ATOM 793 C LEU A 45 -4.552 -15.481 -0.162 1.00 0.00 C ATOM 794 O LEU A 45 -3.386 -15.096 -0.068 1.00 0.00 O ATOM 795 CB LEU A 45 -5.795 -14.228 -1.935 1.00 0.00 C ATOM 796 CG LEU A 45 -6.272 -14.140 -3.385 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.166 -12.930 -3.569 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.082 -14.084 -4.331 1.00 0.00 C ATOM 0 H LEU A 45 -7.233 -16.197 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.480 -15.897 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.630 -13.985 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.030 -13.468 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.851 -15.033 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.499 -12.878 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.032 -13.015 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.610 -12.026 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.437 -14.022 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.476 -13.207 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.478 -14.983 -4.210 1.00 0.00 H new ATOM 810 N SER A 46 -5.283 -15.831 0.890 1.00 0.00 N ATOM 811 CA SER A 46 -4.744 -15.783 2.243 1.00 0.00 C ATOM 812 C SER A 46 -3.981 -17.064 2.570 1.00 0.00 C ATOM 813 O SER A 46 -3.335 -17.166 3.614 1.00 0.00 O ATOM 814 CB SER A 46 -5.868 -15.568 3.258 1.00 0.00 C ATOM 815 OG SER A 46 -5.349 -15.371 4.561 1.00 0.00 O ATOM 0 H SER A 46 -6.250 -16.151 0.832 1.00 0.00 H new ATOM 0 HA SER A 46 -4.050 -14.944 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.465 -14.704 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.534 -16.431 3.255 1.00 0.00 H new ATOM 0 HG SER A 46 -4.495 -15.843 4.648 1.00 0.00 H new ATOM 821 N LYS A 47 -4.062 -18.042 1.672 1.00 0.00 N ATOM 822 CA LYS A 47 -3.385 -19.313 1.857 1.00 0.00 C ATOM 823 C LYS A 47 -2.089 -19.353 1.051 1.00 0.00 C ATOM 824 O LYS A 47 -1.100 -19.952 1.474 1.00 0.00 O ATOM 825 CB LYS A 47 -4.312 -20.452 1.431 1.00 0.00 C ATOM 826 CG LYS A 47 -3.641 -21.815 1.388 1.00 0.00 C ATOM 827 CD LYS A 47 -3.756 -22.453 0.013 1.00 0.00 C ATOM 828 CE LYS A 47 -2.534 -23.295 -0.320 1.00 0.00 C ATOM 829 NZ LYS A 47 -1.643 -22.615 -1.300 1.00 0.00 N ATOM 0 H LYS A 47 -4.595 -17.973 0.805 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.133 -19.431 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.156 -20.496 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.717 -20.227 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.589 -21.712 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.096 -22.469 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.649 -23.077 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.878 -21.675 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.977 -23.504 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.854 -24.255 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.822 -23.221 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.167 -22.438 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.317 -21.710 -0.904 1.00 0.00 H new ATOM 843 N LYS A 48 -2.101 -18.707 -0.112 1.00 0.00 N ATOM 844 CA LYS A 48 -0.928 -18.664 -0.977 1.00 0.00 C ATOM 845 C LYS A 48 0.092 -17.658 -0.455 1.00 0.00 C ATOM 846 O LYS A 48 1.276 -17.970 -0.322 1.00 0.00 O ATOM 847 CB LYS A 48 -1.333 -18.299 -2.406 1.00 0.00 C ATOM 848 CG LYS A 48 -2.405 -19.206 -2.987 1.00 0.00 C ATOM 849 CD LYS A 48 -3.101 -18.557 -4.173 1.00 0.00 C ATOM 850 CE LYS A 48 -2.240 -18.612 -5.425 1.00 0.00 C ATOM 851 NZ LYS A 48 -2.313 -17.346 -6.206 1.00 0.00 N ATOM 0 H LYS A 48 -2.911 -18.206 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.472 -19.654 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.693 -17.270 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.451 -18.338 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.956 -20.149 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.140 -19.442 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.049 -19.061 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.334 -17.519 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.205 -18.807 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.563 -19.444 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.869 -17.486 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.309 -17.075 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.813 -16.592 -5.693 1.00 0.00 H new ATOM 865 N TYR A 49 -0.374 -16.447 -0.163 1.00 0.00 N ATOM 866 CA TYR A 49 0.485 -15.386 0.342 1.00 0.00 C ATOM 867 C TYR A 49 1.415 -15.883 1.446 1.00 0.00 C ATOM 868 O TYR A 49 2.547 -15.415 1.575 1.00 0.00 O ATOM 869 CB TYR A 49 -0.364 -14.238 0.872 1.00 0.00 C ATOM 870 CG TYR A 49 0.444 -13.003 1.154 1.00 0.00 C ATOM 871 CD1 TYR A 49 1.033 -12.807 2.392 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.626 -12.042 0.176 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.786 -11.681 2.651 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.378 -10.912 0.423 1.00 0.00 C ATOM 875 CZ TYR A 49 1.957 -10.734 1.663 1.00 0.00 C ATOM 876 OH TYR A 49 2.708 -9.607 1.914 1.00 0.00 O ATOM 0 H TYR A 49 -1.352 -16.177 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 49 1.102 -15.041 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.142 -14.001 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.867 -14.555 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.901 -13.548 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.173 -12.178 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.239 -11.542 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.513 -10.170 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 49 3.401 -9.816 2.574 1.00 0.00 H new ATOM 886 N LYS A 50 0.930 -16.825 2.247 1.00 0.00 N ATOM 887 CA LYS A 50 1.723 -17.373 3.342 1.00 0.00 C ATOM 888 C LYS A 50 2.426 -18.658 2.923 1.00 0.00 C ATOM 889 O LYS A 50 3.514 -18.971 3.410 1.00 0.00 O ATOM 890 CB LYS A 50 0.833 -17.639 4.559 1.00 0.00 C ATOM 891 CG LYS A 50 0.022 -16.431 4.998 1.00 0.00 C ATOM 892 CD LYS A 50 0.462 -15.926 6.364 1.00 0.00 C ATOM 893 CE LYS A 50 1.906 -15.451 6.344 1.00 0.00 C ATOM 894 NZ LYS A 50 2.391 -15.091 7.706 1.00 0.00 N ATOM 0 H LYS A 50 -0.005 -17.224 2.160 1.00 0.00 H new ATOM 0 HA LYS A 50 2.483 -16.638 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.152 -18.458 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.457 -17.968 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.130 -15.633 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.035 -16.694 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.187 -15.108 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.350 -16.722 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.540 -16.234 5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.995 -14.586 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.379 -14.772 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.802 -14.326 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.331 -15.923 8.327 1.00 0.00 H new ATOM 908 N GLU A 51 1.800 -19.406 2.019 1.00 0.00 N ATOM 909 CA GLU A 51 2.365 -20.663 1.539 1.00 0.00 C ATOM 910 C GLU A 51 3.681 -20.427 0.802 1.00 0.00 C ATOM 911 O GLU A 51 4.578 -21.269 0.831 1.00 0.00 O ATOM 912 CB GLU A 51 1.371 -21.377 0.621 1.00 0.00 C ATOM 913 CG GLU A 51 0.640 -22.527 1.294 1.00 0.00 C ATOM 914 CD GLU A 51 1.013 -23.877 0.712 1.00 0.00 C ATOM 915 OE1 GLU A 51 2.150 -24.015 0.215 1.00 0.00 O ATOM 916 OE2 GLU A 51 0.169 -24.797 0.756 1.00 0.00 O ATOM 0 H GLU A 51 0.901 -19.163 1.604 1.00 0.00 H new ATOM 0 HA GLU A 51 2.566 -21.294 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.639 -20.654 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.903 -21.756 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.865 -22.521 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.435 -22.377 1.194 1.00 0.00 H new ATOM 923 N LEU A 52 3.789 -19.280 0.139 1.00 0.00 N ATOM 924 CA LEU A 52 4.992 -18.938 -0.605 1.00 0.00 C ATOM 925 C LEU A 52 6.222 -18.934 0.293 1.00 0.00 C ATOM 926 O LEU A 52 6.153 -18.548 1.461 1.00 0.00 O ATOM 927 CB LEU A 52 4.818 -17.576 -1.269 1.00 0.00 C ATOM 928 CG LEU A 52 4.353 -16.454 -0.341 1.00 0.00 C ATOM 929 CD1 LEU A 52 5.542 -15.706 0.235 1.00 0.00 C ATOM 930 CD2 LEU A 52 3.434 -15.503 -1.087 1.00 0.00 C ATOM 0 H LEU A 52 3.056 -18.572 0.103 1.00 0.00 H new ATOM 0 HA LEU A 52 5.145 -19.698 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.768 -17.284 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.098 -17.675 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 52 3.798 -16.897 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.188 -14.912 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.166 -16.396 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.127 -15.272 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.110 -14.708 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.968 -15.068 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.563 -16.049 -1.450 1.00 0.00 H new ATOM 942 N PRO A 53 7.374 -19.363 -0.249 1.00 0.00 N ATOM 943 CA PRO A 53 8.636 -19.408 0.494 1.00 0.00 C ATOM 944 C PRO A 53 9.196 -18.025 0.779 1.00 0.00 C ATOM 945 O PRO A 53 10.405 -17.854 0.939 1.00 0.00 O ATOM 946 CB PRO A 53 9.595 -20.139 -0.436 1.00 0.00 C ATOM 947 CG PRO A 53 8.991 -20.084 -1.800 1.00 0.00 C ATOM 948 CD PRO A 53 7.519 -19.834 -1.638 1.00 0.00 C ATOM 0 HA PRO A 53 8.493 -19.888 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.578 -19.667 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.734 -21.171 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.451 -19.291 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.164 -21.019 -2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.163 -19.088 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.941 -20.742 -1.811 1.00 0.00 H new ATOM 956 N GLU A 54 8.323 -17.038 0.804 1.00 0.00 N ATOM 957 CA GLU A 54 8.722 -15.658 1.029 1.00 0.00 C ATOM 958 C GLU A 54 9.746 -15.222 -0.013 1.00 0.00 C ATOM 959 O GLU A 54 10.377 -14.174 0.128 1.00 0.00 O ATOM 960 CB GLU A 54 9.285 -15.441 2.445 1.00 0.00 C ATOM 961 CG GLU A 54 9.351 -16.696 3.303 1.00 0.00 C ATOM 962 CD GLU A 54 9.366 -16.388 4.787 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.415 -15.931 5.286 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.331 -16.606 5.450 1.00 0.00 O ATOM 0 H GLU A 54 7.320 -17.166 0.670 1.00 0.00 H new ATOM 0 HA GLU A 54 7.826 -15.045 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.287 -15.021 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.670 -14.700 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.495 -17.332 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.246 -17.262 3.044 1.00 0.00 H new ATOM 971 N LYS A 55 9.906 -16.024 -1.068 1.00 0.00 N ATOM 972 CA LYS A 55 10.851 -15.690 -2.123 1.00 0.00 C ATOM 973 C LYS A 55 10.178 -14.845 -3.204 1.00 0.00 C ATOM 974 O LYS A 55 10.850 -14.219 -4.024 1.00 0.00 O ATOM 975 CB LYS A 55 11.453 -16.965 -2.731 1.00 0.00 C ATOM 976 CG LYS A 55 10.585 -17.614 -3.799 1.00 0.00 C ATOM 977 CD LYS A 55 10.986 -17.160 -5.192 1.00 0.00 C ATOM 978 CE LYS A 55 11.885 -18.179 -5.878 1.00 0.00 C ATOM 979 NZ LYS A 55 13.197 -17.592 -6.265 1.00 0.00 N ATOM 0 H LYS A 55 9.398 -16.897 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 55 11.659 -15.103 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.424 -16.725 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.629 -17.687 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.670 -18.698 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.539 -17.365 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.092 -17.000 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.503 -16.203 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.049 -19.025 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.384 -18.565 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.779 -18.318 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.043 -16.800 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.687 -17.247 -5.415 1.00 0.00 H new ATOM 993 N LYS A 56 8.846 -14.833 -3.197 1.00 0.00 N ATOM 994 CA LYS A 56 8.080 -14.066 -4.175 1.00 0.00 C ATOM 995 C LYS A 56 7.589 -12.751 -3.577 1.00 0.00 C ATOM 996 O LYS A 56 7.425 -11.759 -4.287 1.00 0.00 O ATOM 997 CB LYS A 56 6.891 -14.888 -4.679 1.00 0.00 C ATOM 998 CG LYS A 56 7.279 -15.964 -5.676 1.00 0.00 C ATOM 999 CD LYS A 56 6.283 -17.113 -5.674 1.00 0.00 C ATOM 1000 CE LYS A 56 6.819 -18.314 -4.913 1.00 0.00 C ATOM 1001 NZ LYS A 56 7.889 -19.019 -5.671 1.00 0.00 N ATOM 0 H LYS A 56 8.276 -15.346 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 56 8.737 -13.836 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.395 -15.354 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.167 -14.218 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.335 -15.532 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.273 -16.342 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.347 -16.784 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.058 -17.402 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.211 -17.988 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.003 -19.007 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.554 -19.460 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.463 -19.753 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.399 -18.337 -6.268 1.00 0.00 H new ATOM 1015 N LYS A 57 7.359 -12.750 -2.267 1.00 0.00 N ATOM 1016 CA LYS A 57 6.889 -11.559 -1.573 1.00 0.00 C ATOM 1017 C LYS A 57 8.023 -10.555 -1.423 1.00 0.00 C ATOM 1018 O LYS A 57 7.797 -9.346 -1.440 1.00 0.00 O ATOM 1019 CB LYS A 57 6.279 -11.945 -0.218 1.00 0.00 C ATOM 1020 CG LYS A 57 7.191 -11.743 0.986 1.00 0.00 C ATOM 1021 CD LYS A 57 6.959 -12.805 2.054 1.00 0.00 C ATOM 1022 CE LYS A 57 5.478 -13.081 2.296 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.870 -12.087 3.222 1.00 0.00 N ATOM 0 H LYS A 57 7.491 -13.563 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 57 6.106 -11.081 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.371 -11.362 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.982 -12.993 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.232 -11.773 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.018 -10.755 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.453 -13.730 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.422 -12.484 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.946 -13.063 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.359 -14.082 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.888 -11.901 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.883 -12.463 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.414 -11.201 3.187 1.00 0.00 H new ATOM 1037 N MET A 58 9.250 -11.060 -1.318 1.00 0.00 N ATOM 1038 CA MET A 58 10.418 -10.196 -1.214 1.00 0.00 C ATOM 1039 C MET A 58 10.366 -9.134 -2.304 1.00 0.00 C ATOM 1040 O MET A 58 10.886 -8.031 -2.147 1.00 0.00 O ATOM 1041 CB MET A 58 11.698 -11.021 -1.342 1.00 0.00 C ATOM 1042 CG MET A 58 12.186 -11.599 -0.025 1.00 0.00 C ATOM 1043 SD MET A 58 13.007 -10.373 1.012 1.00 0.00 S ATOM 1044 CE MET A 58 14.412 -11.315 1.603 1.00 0.00 C ATOM 0 H MET A 58 9.458 -12.058 -1.303 1.00 0.00 H new ATOM 0 HA MET A 58 10.416 -9.708 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.526 -11.836 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.483 -10.395 -1.767 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.340 -12.020 0.518 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.875 -12.419 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.018 -10.691 2.259 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.060 -12.187 2.155 1.00 0.00 H new ATOM 0 HE3 MET A 58 15.014 -11.641 0.755 1.00 0.00 H new ATOM 1054 N LYS A 59 9.704 -9.481 -3.405 1.00 0.00 N ATOM 1055 CA LYS A 59 9.537 -8.572 -4.528 1.00 0.00 C ATOM 1056 C LYS A 59 8.326 -7.681 -4.282 1.00 0.00 C ATOM 1057 O LYS A 59 8.402 -6.458 -4.405 1.00 0.00 O ATOM 1058 CB LYS A 59 9.375 -9.369 -5.832 1.00 0.00 C ATOM 1059 CG LYS A 59 7.988 -9.286 -6.458 1.00 0.00 C ATOM 1060 CD LYS A 59 7.925 -10.037 -7.779 1.00 0.00 C ATOM 1061 CE LYS A 59 8.068 -11.537 -7.575 1.00 0.00 C ATOM 1062 NZ LYS A 59 7.152 -12.309 -8.460 1.00 0.00 N ATOM 0 H LYS A 59 9.272 -10.395 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 59 10.422 -7.943 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.108 -9.010 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.608 -10.415 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.252 -9.699 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.723 -8.241 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.978 -9.825 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.716 -9.681 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.098 -11.833 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.859 -11.783 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.281 -13.327 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.167 -12.046 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.368 -12.094 -9.455 1.00 0.00 H new ATOM 1076 N TYR A 60 7.211 -8.310 -3.922 1.00 0.00 N ATOM 1077 CA TYR A 60 5.975 -7.588 -3.640 1.00 0.00 C ATOM 1078 C TYR A 60 6.229 -6.471 -2.642 1.00 0.00 C ATOM 1079 O TYR A 60 5.915 -5.309 -2.897 1.00 0.00 O ATOM 1080 CB TYR A 60 4.921 -8.518 -3.047 1.00 0.00 C ATOM 1081 CG TYR A 60 4.426 -9.603 -3.973 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.306 -9.386 -5.339 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.058 -10.843 -3.468 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.834 -10.377 -6.178 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.588 -11.838 -4.299 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.477 -11.602 -5.654 1.00 0.00 C ATOM 1087 OH TYR A 60 3.006 -12.592 -6.485 1.00 0.00 O ATOM 0 H TYR A 60 7.138 -9.322 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 60 5.616 -7.179 -4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.334 -8.986 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.069 -7.918 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.586 -8.428 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.141 -11.031 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.745 -10.193 -7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.308 -12.798 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 60 2.314 -13.107 -6.021 1.00 0.00 H new ATOM 1097 N ILE A 61 6.793 -6.839 -1.495 1.00 0.00 N ATOM 1098 CA ILE A 61 7.079 -5.865 -0.453 1.00 0.00 C ATOM 1099 C ILE A 61 8.072 -4.832 -0.961 1.00 0.00 C ATOM 1100 O ILE A 61 7.942 -3.642 -0.677 1.00 0.00 O ATOM 1101 CB ILE A 61 7.623 -6.523 0.836 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.520 -7.326 1.535 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.169 -5.461 1.780 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.015 -8.507 0.734 1.00 0.00 C ATOM 0 H ILE A 61 7.058 -7.797 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 61 6.136 -5.380 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 61 8.430 -7.202 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.897 -7.685 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.683 -6.662 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.549 -5.938 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.977 -4.918 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.373 -4.765 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.237 -9.023 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.605 -8.156 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.839 -9.194 0.540 1.00 0.00 H new ATOM 1116 N GLN A 62 9.046 -5.290 -1.740 1.00 0.00 N ATOM 1117 CA GLN A 62 10.035 -4.398 -2.311 1.00 0.00 C ATOM 1118 C GLN A 62 9.363 -3.503 -3.337 1.00 0.00 C ATOM 1119 O GLN A 62 9.855 -2.422 -3.659 1.00 0.00 O ATOM 1120 CB GLN A 62 11.168 -5.192 -2.962 1.00 0.00 C ATOM 1121 CG GLN A 62 12.335 -5.460 -2.026 1.00 0.00 C ATOM 1122 CD GLN A 62 13.630 -4.848 -2.518 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.230 -4.008 -1.846 1.00 0.00 O ATOM 1124 NE2 GLN A 62 14.070 -5.267 -3.698 1.00 0.00 N ATOM 0 H GLN A 62 9.167 -6.272 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 62 10.466 -3.787 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.775 -6.143 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.529 -4.646 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.102 -5.062 -1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.466 -6.536 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.541 -5.965 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.937 -4.891 -4.082 1.00 0.00 H new ATOM 1133 N ASP A 63 8.215 -3.962 -3.836 1.00 0.00 N ATOM 1134 CA ASP A 63 7.451 -3.206 -4.810 1.00 0.00 C ATOM 1135 C ASP A 63 6.508 -2.243 -4.098 1.00 0.00 C ATOM 1136 O ASP A 63 6.124 -1.208 -4.645 1.00 0.00 O ATOM 1137 CB ASP A 63 6.658 -4.147 -5.719 1.00 0.00 C ATOM 1138 CG ASP A 63 6.764 -3.762 -7.182 1.00 0.00 C ATOM 1139 OD1 ASP A 63 6.874 -2.554 -7.471 1.00 0.00 O ATOM 1140 OD2 ASP A 63 6.735 -4.672 -8.038 1.00 0.00 O ATOM 0 H ASP A 63 7.799 -4.856 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 63 8.143 -2.634 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.021 -5.166 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.610 -4.140 -5.419 1.00 0.00 H new ATOM 1145 N PHE A 64 6.143 -2.595 -2.867 1.00 0.00 N ATOM 1146 CA PHE A 64 5.251 -1.773 -2.061 1.00 0.00 C ATOM 1147 C PHE A 64 6.037 -0.665 -1.363 1.00 0.00 C ATOM 1148 O PHE A 64 5.551 0.455 -1.204 1.00 0.00 O ATOM 1149 CB PHE A 64 4.525 -2.657 -1.035 1.00 0.00 C ATOM 1150 CG PHE A 64 4.490 -2.099 0.361 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.533 -1.166 0.727 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.417 -2.510 1.304 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.502 -0.655 2.011 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.390 -2.002 2.589 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.432 -1.073 2.943 1.00 0.00 C ATOM 0 H PHE A 64 6.455 -3.450 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 64 4.510 -1.304 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.501 -2.817 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.009 -3.633 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.804 -0.835 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.169 -3.236 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.751 0.071 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.118 -2.332 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.410 -0.674 3.946 1.00 0.00 H new ATOM 1165 N GLN A 65 7.254 -0.995 -0.942 1.00 0.00 N ATOM 1166 CA GLN A 65 8.114 -0.044 -0.251 1.00 0.00 C ATOM 1167 C GLN A 65 8.686 0.996 -1.212 1.00 0.00 C ATOM 1168 O GLN A 65 8.712 2.188 -0.906 1.00 0.00 O ATOM 1169 CB GLN A 65 9.249 -0.787 0.450 1.00 0.00 C ATOM 1170 CG GLN A 65 10.173 -1.519 -0.506 1.00 0.00 C ATOM 1171 CD GLN A 65 11.311 -2.223 0.207 1.00 0.00 C ATOM 1172 OE1 GLN A 65 12.481 -2.030 -0.124 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.973 -3.045 1.195 1.00 0.00 N ATOM 0 H GLN A 65 7.667 -1.919 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 65 7.509 0.482 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.833 -0.075 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.824 -1.504 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.597 -2.250 -1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.583 -0.809 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.991 -3.176 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.696 -3.545 1.712 1.00 0.00 H new ATOM 1182 N ARG A 66 9.152 0.540 -2.371 1.00 0.00 N ATOM 1183 CA ARG A 66 9.732 1.438 -3.366 1.00 0.00 C ATOM 1184 C ARG A 66 8.695 2.426 -3.894 1.00 0.00 C ATOM 1185 O ARG A 66 9.042 3.512 -4.361 1.00 0.00 O ATOM 1186 CB ARG A 66 10.339 0.636 -4.522 1.00 0.00 C ATOM 1187 CG ARG A 66 9.311 0.004 -5.450 1.00 0.00 C ATOM 1188 CD ARG A 66 9.624 0.291 -6.909 1.00 0.00 C ATOM 1189 NE ARG A 66 8.419 0.590 -7.680 1.00 0.00 N ATOM 1190 CZ ARG A 66 8.430 1.174 -8.876 1.00 0.00 C ATOM 1191 NH1 ARG A 66 9.580 1.520 -9.443 1.00 0.00 N ATOM 1192 NH2 ARG A 66 7.289 1.412 -9.508 1.00 0.00 N ATOM 0 H ARG A 66 9.140 -0.443 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 66 10.523 2.009 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.984 1.293 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.973 -0.150 -4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.287 -1.074 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.319 0.385 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.313 1.133 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.130 -0.569 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 66 7.517 0.336 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.461 1.338 -8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.582 1.967 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.403 1.148 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.297 1.860 -10.425 1.00 0.00 H new ATOM 1206 N GLU A 67 7.424 2.046 -3.821 1.00 0.00 N ATOM 1207 CA GLU A 67 6.343 2.904 -4.295 1.00 0.00 C ATOM 1208 C GLU A 67 5.770 3.755 -3.161 1.00 0.00 C ATOM 1209 O GLU A 67 4.946 4.637 -3.398 1.00 0.00 O ATOM 1210 CB GLU A 67 5.235 2.059 -4.925 1.00 0.00 C ATOM 1211 CG GLU A 67 5.295 2.016 -6.442 1.00 0.00 C ATOM 1212 CD GLU A 67 4.389 3.042 -7.092 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.192 2.740 -7.283 1.00 0.00 O ATOM 1214 OE2 GLU A 67 4.874 4.147 -7.410 1.00 0.00 O ATOM 0 H GLU A 67 7.117 1.151 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 67 6.755 3.576 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.300 1.042 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.267 2.456 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.322 2.187 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.014 1.020 -6.785 1.00 0.00 H new ATOM 1221 N LYS A 68 6.204 3.488 -1.932 1.00 0.00 N ATOM 1222 CA LYS A 68 5.722 4.235 -0.776 1.00 0.00 C ATOM 1223 C LYS A 68 6.720 5.307 -0.349 1.00 0.00 C ATOM 1224 O LYS A 68 6.359 6.264 0.333 1.00 0.00 O ATOM 1225 CB LYS A 68 5.440 3.285 0.390 1.00 0.00 C ATOM 1226 CG LYS A 68 3.959 3.126 0.693 1.00 0.00 C ATOM 1227 CD LYS A 68 3.694 3.113 2.191 1.00 0.00 C ATOM 1228 CE LYS A 68 2.383 3.807 2.529 1.00 0.00 C ATOM 1229 NZ LYS A 68 1.250 2.845 2.610 1.00 0.00 N ATOM 0 H LYS A 68 6.886 2.762 -1.712 1.00 0.00 H new ATOM 0 HA LYS A 68 4.796 4.733 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.864 2.307 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.948 3.654 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.403 3.942 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.593 2.200 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.665 2.084 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.514 3.608 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.484 4.330 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.166 4.561 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.375 3.358 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.137 2.364 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.445 2.140 3.350 1.00 0.00 H new ATOM 1243 N GLN A 69 7.975 5.137 -0.746 1.00 0.00 N ATOM 1244 CA GLN A 69 9.019 6.088 -0.394 1.00 0.00 C ATOM 1245 C GLN A 69 9.317 7.040 -1.549 1.00 0.00 C ATOM 1246 O GLN A 69 8.995 8.226 -1.487 1.00 0.00 O ATOM 1247 CB GLN A 69 10.285 5.338 0.011 1.00 0.00 C ATOM 1248 CG GLN A 69 11.429 6.247 0.430 1.00 0.00 C ATOM 1249 CD GLN A 69 12.669 5.474 0.835 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.678 5.485 0.132 1.00 0.00 O ATOM 1251 NE2 GLN A 69 12.597 4.798 1.976 1.00 0.00 N ATOM 0 H GLN A 69 8.293 4.350 -1.311 1.00 0.00 H new ATOM 0 HA GLN A 69 8.666 6.685 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.049 4.664 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.612 4.719 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.676 6.917 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.106 6.871 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.739 4.818 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.400 4.259 2.301 1.00 0.00 H new ATOM 1260 N GLU A 70 9.941 6.512 -2.598 1.00 0.00 N ATOM 1261 CA GLU A 70 10.293 7.313 -3.765 1.00 0.00 C ATOM 1262 C GLU A 70 9.069 8.011 -4.357 1.00 0.00 C ATOM 1263 O GLU A 70 9.197 9.020 -5.050 1.00 0.00 O ATOM 1264 CB GLU A 70 10.954 6.434 -4.830 1.00 0.00 C ATOM 1265 CG GLU A 70 12.161 5.665 -4.320 1.00 0.00 C ATOM 1266 CD GLU A 70 13.084 5.222 -5.438 1.00 0.00 C ATOM 1267 OE1 GLU A 70 13.949 6.024 -5.847 1.00 0.00 O ATOM 1268 OE2 GLU A 70 12.941 4.072 -5.904 1.00 0.00 O ATOM 0 H GLU A 70 10.213 5.531 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 70 10.996 8.080 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.218 5.727 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.260 7.061 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.717 6.290 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.822 4.790 -3.765 1.00 0.00 H new ATOM 1275 N PHE A 71 7.886 7.469 -4.087 1.00 0.00 N ATOM 1276 CA PHE A 71 6.649 8.045 -4.602 1.00 0.00 C ATOM 1277 C PHE A 71 6.283 9.323 -3.855 1.00 0.00 C ATOM 1278 O PHE A 71 6.314 10.415 -4.421 1.00 0.00 O ATOM 1279 CB PHE A 71 5.507 7.034 -4.492 1.00 0.00 C ATOM 1280 CG PHE A 71 4.257 7.456 -5.210 1.00 0.00 C ATOM 1281 CD1 PHE A 71 4.235 7.547 -6.592 1.00 0.00 C ATOM 1282 CD2 PHE A 71 3.106 7.761 -4.502 1.00 0.00 C ATOM 1283 CE1 PHE A 71 3.086 7.936 -7.256 1.00 0.00 C ATOM 1284 CE2 PHE A 71 1.956 8.150 -5.160 1.00 0.00 C ATOM 1285 CZ PHE A 71 1.944 8.238 -6.539 1.00 0.00 C ATOM 0 H PHE A 71 7.758 6.634 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 71 6.808 8.295 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.841 6.077 -4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.275 6.875 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.125 7.312 -7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.108 7.694 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.081 8.004 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.065 8.386 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.045 8.542 -7.055 1.00 0.00 H new ATOM 1295 N GLU A 72 5.932 9.179 -2.580 1.00 0.00 N ATOM 1296 CA GLU A 72 5.553 10.320 -1.754 1.00 0.00 C ATOM 1297 C GLU A 72 6.716 11.296 -1.571 1.00 0.00 C ATOM 1298 O GLU A 72 6.517 12.431 -1.135 1.00 0.00 O ATOM 1299 CB GLU A 72 5.058 9.840 -0.389 1.00 0.00 C ATOM 1300 CG GLU A 72 6.065 8.979 0.356 1.00 0.00 C ATOM 1301 CD GLU A 72 6.947 9.787 1.289 1.00 0.00 C ATOM 1302 OE1 GLU A 72 6.997 11.026 1.136 1.00 0.00 O ATOM 1303 OE2 GLU A 72 7.588 9.181 2.173 1.00 0.00 O ATOM 0 H GLU A 72 5.902 8.281 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 72 4.750 10.848 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.810 10.707 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.137 9.272 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.534 8.220 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.691 8.453 -0.365 1.00 0.00 H new ATOM 1310 N ARG A 73 7.927 10.851 -1.901 1.00 0.00 N ATOM 1311 CA ARG A 73 9.122 11.686 -1.767 1.00 0.00 C ATOM 1312 C ARG A 73 8.877 13.104 -2.287 1.00 0.00 C ATOM 1313 O ARG A 73 8.644 14.027 -1.508 1.00 0.00 O ATOM 1314 CB ARG A 73 10.294 11.050 -2.517 1.00 0.00 C ATOM 1315 CG ARG A 73 11.198 10.208 -1.632 1.00 0.00 C ATOM 1316 CD ARG A 73 12.215 11.065 -0.899 1.00 0.00 C ATOM 1317 NE ARG A 73 13.297 10.265 -0.328 1.00 0.00 N ATOM 1318 CZ ARG A 73 13.150 9.458 0.721 1.00 0.00 C ATOM 1319 NH1 ARG A 73 11.970 9.346 1.320 1.00 0.00 N ATOM 1320 NH2 ARG A 73 14.184 8.765 1.174 1.00 0.00 N ATOM 0 H ARG A 73 8.108 9.915 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 73 9.364 11.754 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.904 10.426 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.887 11.837 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.593 9.661 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.716 9.467 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.632 11.800 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.716 11.619 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 73 14.219 10.329 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.171 9.879 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.863 8.726 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.093 8.849 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.071 8.147 1.978 1.00 0.00 H new ATOM 1334 N ASN A 74 8.937 13.270 -3.604 1.00 0.00 N ATOM 1335 CA ASN A 74 8.726 14.575 -4.221 1.00 0.00 C ATOM 1336 C ASN A 74 7.281 14.745 -4.693 1.00 0.00 C ATOM 1337 O ASN A 74 6.921 15.782 -5.247 1.00 0.00 O ATOM 1338 CB ASN A 74 9.682 14.763 -5.401 1.00 0.00 C ATOM 1339 CG ASN A 74 9.657 13.588 -6.359 1.00 0.00 C ATOM 1340 OD1 ASN A 74 8.694 13.400 -7.102 1.00 0.00 O ATOM 1341 ND2 ASN A 74 10.719 12.791 -6.346 1.00 0.00 N ATOM 0 H ASN A 74 9.130 12.517 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 74 8.928 15.335 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.416 15.673 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.696 14.900 -5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.759 11.984 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.495 12.985 -5.713 1.00 0.00 H new ATOM 1348 N LEU A 75 6.457 13.723 -4.476 1.00 0.00 N ATOM 1349 CA LEU A 75 5.059 13.772 -4.888 1.00 0.00 C ATOM 1350 C LEU A 75 4.202 14.488 -3.847 1.00 0.00 C ATOM 1351 O LEU A 75 3.628 15.542 -4.121 1.00 0.00 O ATOM 1352 CB LEU A 75 4.525 12.358 -5.125 1.00 0.00 C ATOM 1353 CG LEU A 75 3.115 12.279 -5.719 1.00 0.00 C ATOM 1354 CD1 LEU A 75 2.070 12.587 -4.658 1.00 0.00 C ATOM 1355 CD2 LEU A 75 2.975 13.230 -6.900 1.00 0.00 C ATOM 0 H LEU A 75 6.733 12.854 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 75 5.003 14.335 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.211 11.836 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.532 11.822 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 75 2.952 11.263 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.075 12.526 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.152 11.865 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.233 13.592 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.966 13.158 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.161 14.252 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.697 12.962 -7.671 1.00 0.00 H new ATOM 1367 N ALA A 76 4.112 13.904 -2.657 1.00 0.00 N ATOM 1368 CA ALA A 76 3.314 14.483 -1.582 1.00 0.00 C ATOM 1369 C ALA A 76 4.179 15.240 -0.578 1.00 0.00 C ATOM 1370 O ALA A 76 3.884 16.382 -0.228 1.00 0.00 O ATOM 1371 CB ALA A 76 2.517 13.397 -0.876 1.00 0.00 C ATOM 0 H ALA A 76 4.581 13.032 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 76 2.626 15.200 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.926 13.842 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.853 12.910 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.200 12.660 -0.455 1.00 0.00 H new ATOM 1377 N ARG A 77 5.241 14.592 -0.109 1.00 0.00 N ATOM 1378 CA ARG A 77 6.143 15.202 0.866 1.00 0.00 C ATOM 1379 C ARG A 77 6.672 16.550 0.381 1.00 0.00 C ATOM 1380 O ARG A 77 7.107 17.375 1.183 1.00 0.00 O ATOM 1381 CB ARG A 77 7.313 14.263 1.166 1.00 0.00 C ATOM 1382 CG ARG A 77 7.707 14.236 2.635 1.00 0.00 C ATOM 1383 CD ARG A 77 6.834 13.280 3.434 1.00 0.00 C ATOM 1384 NE ARG A 77 5.451 13.745 3.524 1.00 0.00 N ATOM 1385 CZ ARG A 77 4.474 13.353 2.705 1.00 0.00 C ATOM 1386 NH1 ARG A 77 4.718 12.493 1.724 1.00 0.00 N ATOM 1387 NH2 ARG A 77 3.246 13.823 2.871 1.00 0.00 N ATOM 0 H ARG A 77 5.499 13.645 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 77 5.572 15.374 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.049 13.254 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.175 14.568 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.751 13.938 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.624 15.239 3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.855 12.295 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.244 13.167 4.437 1.00 0.00 H new ATOM 0 HE ARG A 77 5.218 14.412 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.660 12.125 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.964 12.200 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.050 14.483 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.497 13.525 2.246 1.00 0.00 H new ATOM 1401 N PHE A 78 6.641 16.771 -0.931 1.00 0.00 N ATOM 1402 CA PHE A 78 7.130 18.023 -1.499 1.00 0.00 C ATOM 1403 C PHE A 78 6.427 19.229 -0.863 1.00 0.00 C ATOM 1404 O PHE A 78 6.874 19.731 0.168 1.00 0.00 O ATOM 1405 CB PHE A 78 6.962 18.022 -3.023 1.00 0.00 C ATOM 1406 CG PHE A 78 7.987 18.856 -3.740 1.00 0.00 C ATOM 1407 CD1 PHE A 78 8.239 20.161 -3.344 1.00 0.00 C ATOM 1408 CD2 PHE A 78 8.700 18.334 -4.807 1.00 0.00 C ATOM 1409 CE1 PHE A 78 9.181 20.929 -4.000 1.00 0.00 C ATOM 1410 CE2 PHE A 78 9.644 19.100 -5.467 1.00 0.00 C ATOM 1411 CZ PHE A 78 9.885 20.397 -5.063 1.00 0.00 C ATOM 0 H PHE A 78 6.285 16.104 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 78 8.193 18.108 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.021 16.996 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.967 18.391 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.692 20.582 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.517 17.319 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.367 21.944 -3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 78 10.192 18.683 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.623 20.995 -5.577 1.00 0.00 H new ATOM 1421 N ARG A 79 5.331 19.693 -1.465 1.00 0.00 N ATOM 1422 CA ARG A 79 4.600 20.832 -0.925 1.00 0.00 C ATOM 1423 C ARG A 79 3.358 20.375 -0.153 1.00 0.00 C ATOM 1424 O ARG A 79 3.459 19.951 0.998 1.00 0.00 O ATOM 1425 CB ARG A 79 4.218 21.800 -2.051 1.00 0.00 C ATOM 1426 CG ARG A 79 5.329 22.771 -2.419 1.00 0.00 C ATOM 1427 CD ARG A 79 5.759 22.610 -3.869 1.00 0.00 C ATOM 1428 NE ARG A 79 5.979 23.900 -4.521 1.00 0.00 N ATOM 1429 CZ ARG A 79 5.005 24.649 -5.032 1.00 0.00 C ATOM 1430 NH1 ARG A 79 3.741 24.243 -4.972 1.00 0.00 N ATOM 1431 NH2 ARG A 79 5.293 25.811 -5.604 1.00 0.00 N ATOM 0 H ARG A 79 4.935 19.300 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 79 5.251 21.355 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.941 21.225 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.337 22.366 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.989 23.793 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.186 22.609 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.675 22.021 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.996 22.054 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 79 6.936 24.246 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.512 23.352 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.000 24.823 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.261 26.130 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.547 26.385 -5.996 1.00 0.00 H new ATOM 1445 N GLU A 80 2.187 20.457 -0.787 1.00 0.00 N ATOM 1446 CA GLU A 80 0.941 20.045 -0.151 1.00 0.00 C ATOM 1447 C GLU A 80 0.517 18.658 -0.626 1.00 0.00 C ATOM 1448 O GLU A 80 0.757 17.657 0.050 1.00 0.00 O ATOM 1449 CB GLU A 80 -0.165 21.064 -0.438 1.00 0.00 C ATOM 1450 CG GLU A 80 -0.300 22.134 0.633 1.00 0.00 C ATOM 1451 CD GLU A 80 0.357 23.442 0.236 1.00 0.00 C ATOM 1452 OE1 GLU A 80 1.587 23.565 0.416 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -0.357 24.339 -0.256 1.00 0.00 O ATOM 0 H GLU A 80 2.079 20.805 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 80 1.109 20.000 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.035 21.544 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.115 20.539 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.357 22.309 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.147 21.774 1.560 1.00 0.00 H new ATOM 1460 N ASP A 81 -0.115 18.609 -1.796 1.00 0.00 N ATOM 1461 CA ASP A 81 -0.578 17.351 -2.374 1.00 0.00 C ATOM 1462 C ASP A 81 -1.412 17.611 -3.626 1.00 0.00 C ATOM 1463 O ASP A 81 -1.159 17.036 -4.684 1.00 0.00 O ATOM 1464 CB ASP A 81 -1.404 16.561 -1.353 1.00 0.00 C ATOM 1465 CG ASP A 81 -0.623 15.417 -0.737 1.00 0.00 C ATOM 1466 OD1 ASP A 81 0.236 14.842 -1.438 1.00 0.00 O ATOM 1467 OD2 ASP A 81 -0.869 15.098 0.445 1.00 0.00 O ATOM 0 H ASP A 81 -0.319 19.431 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 81 0.297 16.762 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.741 17.234 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.297 16.167 -1.839 1.00 0.00 H new ATOM 1472 N HIS A 82 -2.406 18.484 -3.494 1.00 0.00 N ATOM 1473 CA HIS A 82 -3.281 18.829 -4.610 1.00 0.00 C ATOM 1474 C HIS A 82 -4.337 19.845 -4.178 1.00 0.00 C ATOM 1475 O HIS A 82 -5.374 19.475 -3.629 1.00 0.00 O ATOM 1476 CB HIS A 82 -3.959 17.570 -5.160 1.00 0.00 C ATOM 1477 CG HIS A 82 -3.706 17.345 -6.619 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -2.509 17.656 -7.232 1.00 0.00 N ATOM 1479 CD2 HIS A 82 -4.502 16.837 -7.589 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -2.583 17.349 -8.515 1.00 0.00 C ATOM 1481 NE2 HIS A 82 -3.781 16.850 -8.756 1.00 0.00 N ATOM 0 H HIS A 82 -2.626 18.967 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.672 19.277 -5.395 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.607 16.703 -4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.034 17.643 -4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.516 16.487 -7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.797 17.484 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.116 16.526 -9.663 1.00 0.00 H new ATOM 1490 N PRO A 83 -4.087 21.146 -4.417 1.00 0.00 N ATOM 1491 CA PRO A 83 -5.026 22.210 -4.045 1.00 0.00 C ATOM 1492 C PRO A 83 -6.289 22.202 -4.901 1.00 0.00 C ATOM 1493 O PRO A 83 -6.582 23.170 -5.604 1.00 0.00 O ATOM 1494 CB PRO A 83 -4.223 23.492 -4.286 1.00 0.00 C ATOM 1495 CG PRO A 83 -3.221 23.119 -5.323 1.00 0.00 C ATOM 1496 CD PRO A 83 -2.874 21.680 -5.065 1.00 0.00 C ATOM 0 HA PRO A 83 -5.381 22.098 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.865 24.303 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.738 23.834 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.630 23.248 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.336 23.752 -5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.646 21.150 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.000 21.587 -4.420 1.00 0.00 H new ATOM 1504 N ASP A 84 -7.037 21.105 -4.833 1.00 0.00 N ATOM 1505 CA ASP A 84 -8.274 20.974 -5.599 1.00 0.00 C ATOM 1506 C ASP A 84 -8.931 19.619 -5.347 1.00 0.00 C ATOM 1507 O ASP A 84 -9.512 19.022 -6.251 1.00 0.00 O ATOM 1508 CB ASP A 84 -7.994 21.145 -7.095 1.00 0.00 C ATOM 1509 CG ASP A 84 -6.840 20.284 -7.570 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -6.771 19.105 -7.163 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -6.004 20.789 -8.348 1.00 0.00 O ATOM 0 H ASP A 84 -6.810 20.295 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.958 21.757 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.890 20.891 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.772 22.192 -7.303 1.00 0.00 H new ATOM 1516 N LEU A 85 -8.832 19.141 -4.110 1.00 0.00 N ATOM 1517 CA LEU A 85 -9.415 17.854 -3.739 1.00 0.00 C ATOM 1518 C LEU A 85 -10.304 17.978 -2.502 1.00 0.00 C ATOM 1519 O LEU A 85 -11.207 17.169 -2.297 1.00 0.00 O ATOM 1520 CB LEU A 85 -8.309 16.829 -3.483 1.00 0.00 C ATOM 1521 CG LEU A 85 -7.733 16.171 -4.738 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -6.562 15.270 -4.379 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -8.811 15.382 -5.466 1.00 0.00 C ATOM 0 H LEU A 85 -8.355 19.624 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.036 17.518 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.498 17.319 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.701 16.049 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.371 16.955 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.165 14.811 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.781 15.861 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.899 14.491 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.385 14.920 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.202 14.607 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.619 16.053 -5.757 1.00 0.00 H new ATOM 1535 N ILE A 86 -10.046 18.999 -1.683 1.00 0.00 N ATOM 1536 CA ILE A 86 -10.816 19.242 -0.468 1.00 0.00 C ATOM 1537 C ILE A 86 -10.469 18.254 0.651 1.00 0.00 C ATOM 1538 O ILE A 86 -10.928 18.408 1.783 1.00 0.00 O ATOM 1539 CB ILE A 86 -12.330 19.213 -0.774 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -13.030 20.401 -0.110 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -12.979 17.901 -0.339 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -13.005 20.349 1.402 1.00 0.00 C ATOM 0 H ILE A 86 -9.301 19.676 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.546 20.235 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.445 19.289 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.555 21.324 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.066 20.437 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.043 17.926 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.510 17.071 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.847 17.769 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.519 21.222 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -13.506 19.443 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.972 20.344 1.749 1.00 0.00 H new ATOM 1554 N GLN A 87 -9.653 17.246 0.337 1.00 0.00 N ATOM 1555 CA GLN A 87 -9.247 16.250 1.325 1.00 0.00 C ATOM 1556 C GLN A 87 -10.457 15.639 2.029 1.00 0.00 C ATOM 1557 O GLN A 87 -11.596 16.048 1.804 1.00 0.00 O ATOM 1558 CB GLN A 87 -8.308 16.881 2.353 1.00 0.00 C ATOM 1559 CG GLN A 87 -7.315 15.899 2.953 1.00 0.00 C ATOM 1560 CD GLN A 87 -7.537 15.675 4.435 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -7.667 14.539 4.891 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -7.586 16.761 5.198 1.00 0.00 N ATOM 0 H GLN A 87 -9.262 17.100 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 87 -8.723 15.451 0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.760 17.696 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.902 17.320 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.392 14.946 2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.302 16.269 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.473 17.684 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.736 16.672 6.203 1.00 0.00 H new ATOM 1571 N ASN A 88 -10.197 14.656 2.889 1.00 0.00 N ATOM 1572 CA ASN A 88 -11.258 13.987 3.633 1.00 0.00 C ATOM 1573 C ASN A 88 -12.315 13.412 2.696 1.00 0.00 C ATOM 1574 O ASN A 88 -13.242 14.111 2.287 1.00 0.00 O ATOM 1575 CB ASN A 88 -11.910 14.960 4.618 1.00 0.00 C ATOM 1576 CG ASN A 88 -10.957 15.401 5.713 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -10.363 14.574 6.404 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -10.809 16.712 5.875 1.00 0.00 N ATOM 0 H ASN A 88 -9.259 14.306 3.087 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.808 13.162 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.267 15.836 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -12.782 14.486 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.182 17.069 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.322 17.361 5.278 1.00 0.00 H new ATOM 1585 N ALA A 89 -12.173 12.132 2.365 1.00 0.00 N ATOM 1586 CA ALA A 89 -13.121 11.464 1.481 1.00 0.00 C ATOM 1587 C ALA A 89 -14.511 11.427 2.103 1.00 0.00 C ATOM 1588 O ALA A 89 -14.655 11.409 3.326 1.00 0.00 O ATOM 1589 CB ALA A 89 -12.643 10.054 1.167 1.00 0.00 C ATOM 0 H ALA A 89 -11.412 11.538 2.695 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.180 12.031 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.359 9.566 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.670 10.100 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.556 9.485 2.092 1.00 0.00 H new ATOM 1595 N LYS A 90 -15.535 11.416 1.255 1.00 0.00 N ATOM 1596 CA LYS A 90 -16.914 11.382 1.726 1.00 0.00 C ATOM 1597 C LYS A 90 -17.227 12.605 2.581 1.00 0.00 C ATOM 1598 O LYS A 90 -16.379 13.477 2.768 1.00 0.00 O ATOM 1599 CB LYS A 90 -17.170 10.104 2.529 1.00 0.00 C ATOM 1600 CG LYS A 90 -17.376 8.872 1.662 1.00 0.00 C ATOM 1601 CD LYS A 90 -18.385 7.917 2.281 1.00 0.00 C ATOM 1602 CE LYS A 90 -18.607 6.694 1.406 1.00 0.00 C ATOM 1603 NZ LYS A 90 -18.083 5.454 2.042 1.00 0.00 N ATOM 0 H LYS A 90 -15.435 11.430 0.240 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.569 11.393 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.327 9.930 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.050 10.249 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -17.720 9.175 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.424 8.359 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.034 7.603 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -19.332 8.435 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -19.673 6.578 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.118 6.843 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.254 4.643 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.061 5.554 2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.567 5.298 2.949 1.00 0.00 H new ATOM 1617 N LYS A 91 -18.450 12.663 3.099 1.00 0.00 N ATOM 1618 CA LYS A 91 -18.874 13.780 3.935 1.00 0.00 C ATOM 1619 C LYS A 91 -17.979 13.912 5.164 1.00 0.00 C ATOM 1620 O LYS A 91 -17.839 12.914 5.902 1.00 0.00 O ATOM 1621 CB LYS A 91 -20.331 13.598 4.367 1.00 0.00 C ATOM 1622 CG LYS A 91 -20.907 14.810 5.083 1.00 0.00 C ATOM 1623 CD LYS A 91 -22.107 15.379 4.343 1.00 0.00 C ATOM 1624 CE LYS A 91 -23.099 16.020 5.301 1.00 0.00 C ATOM 1625 NZ LYS A 91 -22.521 17.210 5.984 1.00 0.00 N ATOM 0 H LYS A 91 -19.164 11.950 2.954 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.789 14.694 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.938 13.383 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.402 12.731 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.202 14.530 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.139 15.578 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -21.771 16.119 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.601 14.585 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.994 16.315 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.408 15.288 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -23.244 17.648 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.712 16.916 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -22.202 17.898 5.272 1.00 0.00 H new TER 1639 LYS A 91