USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 18 LYS NZ :NH3+ 164:sc= -3.43 (180deg=-2.05) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -7.74! C(o=-11!,f=-9.6!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.24! C(o=-20!,f=-21!) USER MOD Set 2.2: A 30 GLN : amide:sc= -4.22! C(o=-20!,f=-22!) USER MOD Set 2.3: A 75 ASN : amide:sc= -4.53! K(o=-20!,f=-15) USER MOD Set 2.4: A 79 ASN : amide:sc= -7.99! C(o=-20!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= -5.19! (180deg=-8.72!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 133:sc= -0.0446 (180deg=-0.655) USER MOD Single : A 7 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 174:sc= -3.1! USER MOD Single : A 15 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.1!) USER MOD Single : A 16 GLN : amide:sc= -7.44! C(o=-7.4!,f=-9.6!) USER MOD Single : A 19 GLN : amide:sc= -9.6! C(o=-9.6!,f=-9.8!) USER MOD Single : A 23 SER OG : rot 70:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0105 (180deg=-0.272) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -130:sc= -0.268 USER MOD Single : A 39 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.1) USER MOD Single : A 40 SER OG : rot 67:sc= 0.952 USER MOD Single : A 44 MET CE :methyl -145:sc= -1.11 (180deg=-2.58!) USER MOD Single : A 45 ASN : amide:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 46 GLN : amide:sc= -12.7! C(o=-13!,f=-8.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -2.56 X(o=-2.6,f=-2.3) USER MOD Single : A 60 MET CE :methyl 169:sc= -0.744 (180deg=-1.06) USER MOD Single : A 61 CYS SG : rot 150:sc= -0.853 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0446 (180deg=-0.555) USER MOD Single : A 66 SER OG : rot -119:sc= -4.67! USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -2.35! (180deg=-2.83!) USER MOD Single : A 72 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.024) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -0.0103 (180deg=-0.378) USER MOD Single : A 77 GLN : amide:sc=-0.00664 K(o=-0.0066,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.507 68.041 0.149 1.00 0.00 N ATOM 2 CA GLY A 1 2.500 67.520 -0.834 1.00 0.00 C ATOM 3 C GLY A 1 3.147 66.253 -0.285 1.00 0.00 C ATOM 4 O GLY A 1 3.356 65.283 -1.012 1.00 0.00 O ATOM 0 H1 GLY A 1 0.703 68.461 -0.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.169 67.261 0.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.956 68.766 0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.009 67.308 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.262 68.274 -1.030 1.00 0.00 H new ATOM 10 N PRO A 2 3.460 66.251 0.979 1.00 0.00 N ATOM 11 CA PRO A 2 4.095 65.082 1.658 1.00 0.00 C ATOM 12 C PRO A 2 3.257 63.812 1.518 1.00 0.00 C ATOM 13 O PRO A 2 2.030 63.875 1.433 1.00 0.00 O ATOM 14 CB PRO A 2 4.179 65.516 3.126 1.00 0.00 C ATOM 15 CG PRO A 2 4.119 67.007 3.102 1.00 0.00 C ATOM 16 CD PRO A 2 3.246 67.369 1.907 1.00 0.00 C ATOM 0 HA PRO A 2 5.064 64.835 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.356 65.099 3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.103 65.167 3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.695 67.396 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.116 67.437 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.197 67.462 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.543 68.320 1.466 1.00 0.00 H new ATOM 24 N LEU A 3 3.926 62.662 1.501 1.00 0.00 N ATOM 25 CA LEU A 3 3.233 61.382 1.381 1.00 0.00 C ATOM 26 C LEU A 3 2.742 60.912 2.745 1.00 0.00 C ATOM 27 O LEU A 3 3.378 61.162 3.767 1.00 0.00 O ATOM 28 CB LEU A 3 4.170 60.324 0.796 1.00 0.00 C ATOM 29 CG LEU A 3 4.620 60.743 -0.605 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.149 60.740 -0.670 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.066 59.754 -1.632 1.00 0.00 C ATOM 0 H LEU A 3 4.941 62.590 1.568 1.00 0.00 H new ATOM 0 HA LEU A 3 2.379 61.520 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.038 60.197 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.662 59.361 0.751 1.00 0.00 H new ATOM 0 HG LEU A 3 4.248 61.744 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.471 61.038 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.546 61.441 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.520 59.738 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.385 60.050 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.440 58.754 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.977 59.752 -1.585 1.00 0.00 H new ATOM 43 N GLY A 4 1.606 60.225 2.744 1.00 0.00 N ATOM 44 CA GLY A 4 1.031 59.711 3.980 1.00 0.00 C ATOM 45 C GLY A 4 1.715 58.415 4.388 1.00 0.00 C ATOM 46 O GLY A 4 2.768 58.064 3.856 1.00 0.00 O ATOM 0 H GLY A 4 1.067 60.012 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.138 60.451 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.037 59.539 3.847 1.00 0.00 H new ATOM 50 N SER A 5 1.123 57.710 5.342 1.00 0.00 N ATOM 51 CA SER A 5 1.705 56.462 5.817 1.00 0.00 C ATOM 52 C SER A 5 1.431 55.312 4.849 1.00 0.00 C ATOM 53 O SER A 5 1.951 54.212 5.030 1.00 0.00 O ATOM 54 CB SER A 5 1.134 56.111 7.186 1.00 0.00 C ATOM 55 OG SER A 5 -0.123 55.468 7.014 1.00 0.00 O ATOM 0 H SER A 5 0.250 57.976 5.798 1.00 0.00 H new ATOM 0 HA SER A 5 2.783 56.605 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.821 55.457 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.016 57.013 7.787 1.00 0.00 H new ATOM 0 HG SER A 5 -0.495 55.238 7.891 1.00 0.00 H new ATOM 61 N MET A 6 0.624 55.564 3.823 1.00 0.00 N ATOM 62 CA MET A 6 0.320 54.518 2.853 1.00 0.00 C ATOM 63 C MET A 6 1.612 53.871 2.369 1.00 0.00 C ATOM 64 O MET A 6 2.695 54.251 2.808 1.00 0.00 O ATOM 65 CB MET A 6 -0.445 55.094 1.652 1.00 0.00 C ATOM 66 CG MET A 6 -0.103 56.576 1.483 1.00 0.00 C ATOM 67 SD MET A 6 -0.931 57.225 0.008 1.00 0.00 S ATOM 68 CE MET A 6 -2.606 57.261 0.691 1.00 0.00 C ATOM 0 H MET A 6 0.177 56.463 3.643 1.00 0.00 H new ATOM 0 HA MET A 6 -0.306 53.770 3.340 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.185 54.546 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.518 54.973 1.801 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.417 57.135 2.364 1.00 0.00 H new ATOM 0 HG3 MET A 6 0.976 56.703 1.393 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.071 58.221 0.465 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.197 56.459 0.249 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.561 57.125 1.772 1.00 0.00 H new ATOM 78 N ASN A 7 1.490 52.900 1.466 1.00 0.00 N ATOM 79 CA ASN A 7 2.659 52.205 0.926 1.00 0.00 C ATOM 80 C ASN A 7 3.058 51.036 1.825 1.00 0.00 C ATOM 81 O ASN A 7 3.291 51.211 3.022 1.00 0.00 O ATOM 82 CB ASN A 7 3.833 53.178 0.779 1.00 0.00 C ATOM 83 CG ASN A 7 3.330 54.505 0.222 1.00 0.00 C ATOM 84 OD1 ASN A 7 2.621 54.524 -0.784 1.00 0.00 O ATOM 85 ND2 ASN A 7 3.646 55.621 0.821 1.00 0.00 N ATOM 0 H ASN A 7 0.597 52.577 1.093 1.00 0.00 H new ATOM 0 HA ASN A 7 2.398 51.812 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.311 53.336 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.588 52.756 0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.305 56.510 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.234 55.604 1.655 1.00 0.00 H new ATOM 92 N LYS A 8 3.122 49.845 1.234 1.00 0.00 N ATOM 93 CA LYS A 8 3.481 48.636 1.974 1.00 0.00 C ATOM 94 C LYS A 8 4.981 48.598 2.267 1.00 0.00 C ATOM 95 O LYS A 8 5.707 49.554 1.994 1.00 0.00 O ATOM 96 CB LYS A 8 3.108 47.394 1.157 1.00 0.00 C ATOM 97 CG LYS A 8 1.598 47.361 0.898 1.00 0.00 C ATOM 98 CD LYS A 8 1.247 46.071 0.150 1.00 0.00 C ATOM 99 CE LYS A 8 -0.236 46.072 -0.225 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.973 45.144 0.678 1.00 0.00 N1+ ATOM 0 H LYS A 8 2.930 49.691 0.244 1.00 0.00 H new ATOM 0 HA LYS A 8 2.934 48.645 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.646 47.399 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.412 46.494 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.053 47.409 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.298 48.229 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.858 45.984 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.472 45.206 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.643 47.079 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.361 45.763 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.982 45.142 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.589 44.183 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.863 45.458 1.663 1.00 0.00 H new ATOM 114 N PHE A 9 5.426 47.474 2.826 1.00 0.00 N ATOM 115 CA PHE A 9 6.833 47.273 3.172 1.00 0.00 C ATOM 116 C PHE A 9 7.663 46.934 1.931 1.00 0.00 C ATOM 117 O PHE A 9 7.156 46.341 0.977 1.00 0.00 O ATOM 118 CB PHE A 9 6.938 46.126 4.180 1.00 0.00 C ATOM 119 CG PHE A 9 6.431 46.582 5.532 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.058 46.563 5.815 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.336 47.019 6.508 1.00 0.00 C ATOM 122 CE1 PHE A 9 4.594 46.986 7.069 1.00 0.00 C ATOM 123 CE2 PHE A 9 6.870 47.441 7.760 1.00 0.00 C ATOM 124 CZ PHE A 9 5.500 47.422 8.040 1.00 0.00 C ATOM 0 H PHE A 9 4.826 46.681 3.051 1.00 0.00 H new ATOM 0 HA PHE A 9 7.222 48.196 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.358 45.271 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.974 45.796 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.357 46.222 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.395 47.031 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.536 46.975 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.569 47.781 8.509 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.142 47.744 9.007 1.00 0.00 H new ATOM 134 N THR A 10 8.941 47.311 1.953 1.00 0.00 N ATOM 135 CA THR A 10 9.826 47.039 0.820 1.00 0.00 C ATOM 136 C THR A 10 10.378 45.617 0.897 1.00 0.00 C ATOM 137 O THR A 10 10.343 44.985 1.949 1.00 0.00 O ATOM 138 CB THR A 10 10.988 48.036 0.800 1.00 0.00 C ATOM 139 OG1 THR A 10 11.626 48.039 2.064 1.00 0.00 O ATOM 140 CG2 THR A 10 10.474 49.442 0.485 1.00 0.00 C ATOM 0 H THR A 10 9.383 47.799 2.732 1.00 0.00 H new ATOM 0 HA THR A 10 9.244 47.145 -0.096 1.00 0.00 H new ATOM 0 HB THR A 10 11.698 47.738 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.427 48.602 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.310 50.141 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.988 49.442 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.757 49.746 1.247 1.00 0.00 H new ATOM 148 N ASP A 11 10.868 45.109 -0.233 1.00 0.00 N ATOM 149 CA ASP A 11 11.402 43.750 -0.277 1.00 0.00 C ATOM 150 C ASP A 11 12.517 43.558 0.745 1.00 0.00 C ATOM 151 O ASP A 11 12.567 42.542 1.433 1.00 0.00 O ATOM 152 CB ASP A 11 11.929 43.444 -1.679 1.00 0.00 C ATOM 153 CG ASP A 11 10.781 43.492 -2.679 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.685 43.102 -2.309 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.011 43.916 -3.799 1.00 0.00 O ATOM 0 H ASP A 11 10.906 45.611 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 11 10.593 43.062 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.696 44.167 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.398 42.460 -1.695 1.00 0.00 H new ATOM 160 N ASP A 12 13.405 44.540 0.853 1.00 0.00 N ATOM 161 CA ASP A 12 14.496 44.448 1.812 1.00 0.00 C ATOM 162 C ASP A 12 13.926 44.436 3.222 1.00 0.00 C ATOM 163 O ASP A 12 14.344 43.652 4.073 1.00 0.00 O ATOM 164 CB ASP A 12 15.444 45.634 1.631 1.00 0.00 C ATOM 165 CG ASP A 12 16.039 45.615 0.226 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.082 44.547 -0.366 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.439 46.668 -0.241 1.00 0.00 O1- ATOM 0 H ASP A 12 13.391 45.395 0.298 1.00 0.00 H new ATOM 0 HA ASP A 12 15.055 43.527 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.907 46.568 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.241 45.590 2.373 1.00 0.00 H new ATOM 172 N GLU A 13 12.938 45.292 3.445 1.00 0.00 N ATOM 173 CA GLU A 13 12.279 45.360 4.736 1.00 0.00 C ATOM 174 C GLU A 13 11.495 44.077 4.967 1.00 0.00 C ATOM 175 O GLU A 13 11.455 43.542 6.074 1.00 0.00 O ATOM 176 CB GLU A 13 11.325 46.549 4.757 1.00 0.00 C ATOM 177 CG GLU A 13 12.122 47.855 4.727 1.00 0.00 C ATOM 178 CD GLU A 13 11.160 49.035 4.642 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.966 48.805 4.733 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.629 50.149 4.475 1.00 0.00 O1- ATOM 0 H GLU A 13 12.578 45.946 2.749 1.00 0.00 H new ATOM 0 HA GLU A 13 13.025 45.480 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.653 46.503 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.703 46.512 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.738 47.938 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.799 47.861 3.872 1.00 0.00 H new ATOM 187 N TRP A 14 10.874 43.595 3.895 1.00 0.00 N ATOM 188 CA TRP A 14 10.092 42.381 3.955 1.00 0.00 C ATOM 189 C TRP A 14 10.992 41.218 4.340 1.00 0.00 C ATOM 190 O TRP A 14 10.661 40.423 5.219 1.00 0.00 O ATOM 191 CB TRP A 14 9.447 42.130 2.593 1.00 0.00 C ATOM 192 CG TRP A 14 8.156 41.407 2.781 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.823 40.250 2.170 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.022 41.772 3.619 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.557 39.877 2.583 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.025 40.783 3.477 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.767 42.853 4.485 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.814 40.861 4.162 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.549 42.934 5.177 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.577 41.939 5.018 1.00 0.00 C ATOM 0 H TRP A 14 10.902 44.034 2.975 1.00 0.00 H new ATOM 0 HA TRP A 14 9.307 42.480 4.705 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.275 43.076 2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.117 41.543 1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.443 39.705 1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.076 39.036 2.266 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.512 43.623 4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.065 40.094 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.360 43.769 5.836 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.644 42.005 5.557 1.00 0.00 H new ATOM 211 N ASN A 15 12.142 41.131 3.682 1.00 0.00 N ATOM 212 CA ASN A 15 13.093 40.069 3.973 1.00 0.00 C ATOM 213 C ASN A 15 13.472 40.083 5.450 1.00 0.00 C ATOM 214 O ASN A 15 13.567 39.037 6.086 1.00 0.00 O ATOM 215 CB ASN A 15 14.352 40.261 3.136 1.00 0.00 C ATOM 216 CG ASN A 15 14.038 40.076 1.658 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.974 39.566 1.304 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.910 40.463 0.770 1.00 0.00 N ATOM 0 H ASN A 15 12.435 41.778 2.950 1.00 0.00 H new ATOM 0 HA ASN A 15 12.628 39.113 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.761 41.257 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.115 39.546 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.713 40.344 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.789 40.885 1.069 1.00 0.00 H new ATOM 225 N GLN A 16 13.676 41.280 5.991 1.00 0.00 N ATOM 226 CA GLN A 16 14.032 41.410 7.399 1.00 0.00 C ATOM 227 C GLN A 16 12.897 40.870 8.259 1.00 0.00 C ATOM 228 O GLN A 16 13.128 40.139 9.223 1.00 0.00 O ATOM 229 CB GLN A 16 14.300 42.878 7.743 1.00 0.00 C ATOM 230 CG GLN A 16 15.729 43.271 7.340 1.00 0.00 C ATOM 231 CD GLN A 16 16.168 42.535 6.075 1.00 0.00 C ATOM 232 OE1 GLN A 16 16.340 41.316 6.081 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.381 43.216 4.986 1.00 0.00 N ATOM 0 H GLN A 16 13.602 42.162 5.484 1.00 0.00 H new ATOM 0 HA GLN A 16 14.938 40.837 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.582 43.516 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.160 43.039 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.780 44.347 7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.416 43.041 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.239 44.226 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.690 42.739 4.139 1.00 0.00 H new ATOM 242 N LEU A 17 11.669 41.229 7.902 1.00 0.00 N ATOM 243 CA LEU A 17 10.508 40.765 8.649 1.00 0.00 C ATOM 244 C LEU A 17 10.430 39.241 8.614 1.00 0.00 C ATOM 245 O LEU A 17 10.077 38.609 9.611 1.00 0.00 O ATOM 246 CB LEU A 17 9.226 41.350 8.052 1.00 0.00 C ATOM 247 CG LEU A 17 8.030 40.953 8.919 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.090 41.712 10.245 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.734 41.307 8.184 1.00 0.00 C ATOM 0 H LEU A 17 11.454 41.833 7.109 1.00 0.00 H new ATOM 0 HA LEU A 17 10.610 41.097 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.302 42.436 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.087 40.986 7.034 1.00 0.00 H new ATOM 0 HG LEU A 17 8.057 39.881 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.238 41.430 10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.015 41.463 10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.059 42.784 10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.879 41.026 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.706 42.380 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.694 40.768 7.237 1.00 0.00 H new ATOM 261 N LYS A 18 10.759 38.649 7.465 1.00 0.00 N ATOM 262 CA LYS A 18 10.718 37.195 7.335 1.00 0.00 C ATOM 263 C LYS A 18 11.653 36.538 8.344 1.00 0.00 C ATOM 264 O LYS A 18 11.295 35.551 8.982 1.00 0.00 O ATOM 265 CB LYS A 18 11.134 36.772 5.925 1.00 0.00 C ATOM 266 CG LYS A 18 10.099 37.247 4.908 1.00 0.00 C ATOM 267 CD LYS A 18 10.470 36.696 3.530 1.00 0.00 C ATOM 268 CE LYS A 18 9.671 37.419 2.449 1.00 0.00 C ATOM 269 NZ LYS A 18 8.974 36.420 1.593 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.052 39.146 6.624 1.00 0.00 H new ATOM 0 HA LYS A 18 9.695 36.872 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.111 37.192 5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.232 35.688 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.104 36.906 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.068 38.336 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.538 36.825 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.267 35.626 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.945 38.091 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.335 38.034 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.230 36.894 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.658 35.980 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.546 35.687 2.194 1.00 0.00 H new ATOM 283 N GLN A 19 12.859 37.083 8.483 1.00 0.00 N ATOM 284 CA GLN A 19 13.826 36.517 9.416 1.00 0.00 C ATOM 285 C GLN A 19 13.261 36.523 10.821 1.00 0.00 C ATOM 286 O GLN A 19 13.372 35.538 11.550 1.00 0.00 O ATOM 287 CB GLN A 19 15.125 37.328 9.389 1.00 0.00 C ATOM 288 CG GLN A 19 15.875 37.106 8.067 1.00 0.00 C ATOM 289 CD GLN A 19 15.001 36.363 7.062 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.153 36.968 6.410 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.157 35.080 6.902 1.00 0.00 N ATOM 0 H GLN A 19 13.185 37.902 7.970 1.00 0.00 H new ATOM 0 HA GLN A 19 14.036 35.491 9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.901 38.388 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.759 37.037 10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.178 38.067 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.786 36.537 8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.862 34.580 7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.575 34.575 6.234 1.00 0.00 H new ATOM 300 N ASP A 20 12.644 37.626 11.198 1.00 0.00 N ATOM 301 CA ASP A 20 12.064 37.721 12.518 1.00 0.00 C ATOM 302 C ASP A 20 10.983 36.662 12.677 1.00 0.00 C ATOM 303 O ASP A 20 10.887 36.008 13.713 1.00 0.00 O ATOM 304 CB ASP A 20 11.464 39.103 12.715 1.00 0.00 C ATOM 305 CG ASP A 20 12.543 40.172 12.574 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.700 39.850 12.788 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.197 41.296 12.251 1.00 0.00 O ATOM 0 H ASP A 20 12.533 38.457 10.616 1.00 0.00 H new ATOM 0 HA ASP A 20 12.839 37.558 13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.676 39.273 11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.002 39.170 13.700 1.00 0.00 H new ATOM 312 N PHE A 21 10.179 36.488 11.629 1.00 0.00 N ATOM 313 CA PHE A 21 9.116 35.492 11.651 1.00 0.00 C ATOM 314 C PHE A 21 9.718 34.096 11.734 1.00 0.00 C ATOM 315 O PHE A 21 9.311 33.280 12.560 1.00 0.00 O ATOM 316 CB PHE A 21 8.265 35.607 10.386 1.00 0.00 C ATOM 317 CG PHE A 21 7.270 36.742 10.525 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.563 37.857 11.327 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.049 36.677 9.845 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.634 38.900 11.442 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.122 37.719 9.962 1.00 0.00 C ATOM 322 CZ PHE A 21 5.414 38.830 10.761 1.00 0.00 C ATOM 0 H PHE A 21 10.245 37.021 10.762 1.00 0.00 H new ATOM 0 HA PHE A 21 8.487 35.667 12.524 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.907 35.780 9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.737 34.670 10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.504 37.911 11.855 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.821 35.820 9.228 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.860 39.759 12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.181 37.666 9.435 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.698 39.633 10.852 1.00 0.00 H new ATOM 332 N ILE A 22 10.709 33.837 10.887 1.00 0.00 N ATOM 333 CA ILE A 22 11.378 32.543 10.897 1.00 0.00 C ATOM 334 C ILE A 22 11.949 32.306 12.282 1.00 0.00 C ATOM 335 O ILE A 22 11.746 31.252 12.887 1.00 0.00 O ATOM 336 CB ILE A 22 12.494 32.517 9.854 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.882 32.661 8.462 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.252 31.189 9.942 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.982 32.997 7.460 1.00 0.00 C ATOM 0 H ILE A 22 11.062 34.497 10.194 1.00 0.00 H new ATOM 0 HA ILE A 22 10.665 31.756 10.651 1.00 0.00 H new ATOM 0 HB ILE A 22 13.186 33.339 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.382 31.736 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.125 33.445 8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.047 31.174 9.197 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.685 31.082 10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.564 30.364 9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.549 33.101 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.461 33.933 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.723 32.198 7.452 1.00 0.00 H new ATOM 351 N SER A 23 12.654 33.309 12.787 1.00 0.00 N ATOM 352 CA SER A 23 13.233 33.221 14.114 1.00 0.00 C ATOM 353 C SER A 23 12.143 32.909 15.130 1.00 0.00 C ATOM 354 O SER A 23 12.330 32.094 16.026 1.00 0.00 O ATOM 355 CB SER A 23 13.908 34.547 14.480 1.00 0.00 C ATOM 356 OG SER A 23 14.982 34.800 13.583 1.00 0.00 O ATOM 0 H SER A 23 12.836 34.186 12.299 1.00 0.00 H new ATOM 0 HA SER A 23 13.978 32.425 14.124 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.184 35.360 14.434 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.278 34.507 15.504 1.00 0.00 H new ATOM 0 HG SER A 23 14.624 35.005 12.694 1.00 0.00 H new ATOM 362 N GLY A 24 10.992 33.554 14.973 1.00 0.00 N ATOM 363 CA GLY A 24 9.875 33.330 15.882 1.00 0.00 C ATOM 364 C GLY A 24 9.486 31.859 15.930 1.00 0.00 C ATOM 365 O GLY A 24 9.216 31.317 16.999 1.00 0.00 O ATOM 0 H GLY A 24 10.809 34.230 14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.144 33.670 16.882 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.019 33.924 15.563 1.00 0.00 H new ATOM 369 N ILE A 25 9.455 31.212 14.769 1.00 0.00 N ATOM 370 CA ILE A 25 9.086 29.803 14.716 1.00 0.00 C ATOM 371 C ILE A 25 10.190 28.945 15.321 1.00 0.00 C ATOM 372 O ILE A 25 9.921 27.923 15.950 1.00 0.00 O ATOM 373 CB ILE A 25 8.844 29.368 13.270 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.848 30.322 12.604 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.269 27.950 13.263 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.605 30.464 13.484 1.00 0.00 C ATOM 0 H ILE A 25 9.677 31.633 13.867 1.00 0.00 H new ATOM 0 HA ILE A 25 8.169 29.670 15.289 1.00 0.00 H new ATOM 0 HB ILE A 25 9.785 29.389 12.721 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.310 31.297 12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.568 29.943 11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.094 27.633 12.235 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.975 27.269 13.737 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.327 27.936 13.812 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.898 31.143 13.008 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.138 29.488 13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.892 30.862 14.457 1.00 0.00 H new ATOM 388 N LEU A 26 11.435 29.367 15.128 1.00 0.00 N ATOM 389 CA LEU A 26 12.569 28.629 15.664 1.00 0.00 C ATOM 390 C LEU A 26 12.761 28.953 17.145 1.00 0.00 C ATOM 391 O LEU A 26 13.159 28.093 17.932 1.00 0.00 O ATOM 392 CB LEU A 26 13.833 28.956 14.856 1.00 0.00 C ATOM 393 CG LEU A 26 14.721 29.945 15.616 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.444 29.215 16.750 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.764 30.541 14.661 1.00 0.00 C ATOM 0 H LEU A 26 11.682 30.209 14.609 1.00 0.00 H new ATOM 0 HA LEU A 26 12.374 27.560 15.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.389 28.040 14.655 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.554 29.378 13.890 1.00 0.00 H new ATOM 0 HG LEU A 26 14.100 30.742 16.026 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.076 29.919 17.291 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.710 28.787 17.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.061 28.418 16.335 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.395 31.245 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.381 29.741 14.252 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.258 31.061 13.848 1.00 0.00 H new ATOM 407 N GLU A 27 12.443 30.186 17.525 1.00 0.00 N ATOM 408 CA GLU A 27 12.556 30.594 18.919 1.00 0.00 C ATOM 409 C GLU A 27 11.416 29.987 19.729 1.00 0.00 C ATOM 410 O GLU A 27 11.607 29.558 20.866 1.00 0.00 O ATOM 411 CB GLU A 27 12.510 32.118 19.046 1.00 0.00 C ATOM 412 CG GLU A 27 13.798 32.730 18.488 1.00 0.00 C ATOM 413 CD GLU A 27 13.781 34.242 18.685 1.00 0.00 C ATOM 414 OE1 GLU A 27 12.873 34.723 19.344 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.671 34.896 18.169 1.00 0.00 O1- ATOM 0 H GLU A 27 12.108 30.914 16.893 1.00 0.00 H new ATOM 0 HA GLU A 27 13.513 30.239 19.302 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.648 32.510 18.506 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.387 32.400 20.092 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.664 32.299 18.991 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.894 32.493 17.428 1.00 0.00 H new ATOM 422 N ASN A 28 10.229 29.958 19.125 1.00 0.00 N ATOM 423 CA ASN A 28 9.056 29.401 19.782 1.00 0.00 C ATOM 424 C ASN A 28 9.014 27.890 19.613 1.00 0.00 C ATOM 425 O ASN A 28 9.534 27.349 18.638 1.00 0.00 O ATOM 426 CB ASN A 28 7.780 30.005 19.194 1.00 0.00 C ATOM 427 CG ASN A 28 6.579 29.611 20.044 1.00 0.00 C ATOM 428 OD1 ASN A 28 6.732 28.970 21.085 1.00 0.00 O ATOM 429 ND2 ASN A 28 5.383 29.955 19.657 1.00 0.00 N ATOM 0 H ASN A 28 10.058 30.314 18.184 1.00 0.00 H new ATOM 0 HA ASN A 28 9.119 29.643 20.843 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.867 31.091 19.153 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.641 29.658 18.170 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.571 29.694 20.216 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.259 30.486 18.795 1.00 0.00 H new ATOM 436 N GLU A 29 8.379 27.216 20.560 1.00 0.00 N ATOM 437 CA GLU A 29 8.254 25.765 20.501 1.00 0.00 C ATOM 438 C GLU A 29 7.533 25.343 19.223 1.00 0.00 C ATOM 439 O GLU A 29 7.712 24.229 18.732 1.00 0.00 O ATOM 440 CB GLU A 29 7.476 25.268 21.717 1.00 0.00 C ATOM 441 CG GLU A 29 7.329 23.748 21.646 1.00 0.00 C ATOM 442 CD GLU A 29 6.523 23.247 22.840 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.977 24.075 23.550 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.472 22.043 23.031 1.00 0.00 O1- ATOM 0 H GLU A 29 7.944 27.647 21.376 1.00 0.00 H new ATOM 0 HA GLU A 29 9.252 25.327 20.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.994 25.551 22.633 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.493 25.737 21.749 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.833 23.465 20.717 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.313 23.279 21.638 1.00 0.00 H new ATOM 451 N GLN A 30 6.719 26.252 18.702 1.00 0.00 N ATOM 452 CA GLN A 30 5.956 25.999 17.483 1.00 0.00 C ATOM 453 C GLN A 30 6.853 25.466 16.369 1.00 0.00 C ATOM 454 O GLN A 30 6.377 25.075 15.298 1.00 0.00 O ATOM 455 CB GLN A 30 5.276 27.295 17.037 1.00 0.00 C ATOM 456 CG GLN A 30 4.218 27.678 18.074 1.00 0.00 C ATOM 457 CD GLN A 30 3.463 28.926 17.631 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.078 29.932 17.276 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.158 28.920 17.627 1.00 0.00 N ATOM 0 H GLN A 30 6.569 27.176 19.106 1.00 0.00 H new ATOM 0 HA GLN A 30 5.203 25.240 17.694 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.012 28.092 16.937 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.815 27.162 16.058 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.519 26.853 18.211 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.694 27.857 19.038 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.651 28.085 17.922 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.645 29.750 17.329 1.00 0.00 H new ATOM 468 N LYS A 31 8.153 25.452 16.625 1.00 0.00 N ATOM 469 CA LYS A 31 9.102 24.963 15.639 1.00 0.00 C ATOM 470 C LYS A 31 8.730 23.548 15.200 1.00 0.00 C ATOM 471 O LYS A 31 8.908 23.176 14.038 1.00 0.00 O ATOM 472 CB LYS A 31 10.507 24.952 16.238 1.00 0.00 C ATOM 473 CG LYS A 31 10.591 23.848 17.298 1.00 0.00 C ATOM 474 CD LYS A 31 11.970 23.873 17.967 1.00 0.00 C ATOM 475 CE LYS A 31 12.132 22.637 18.859 1.00 0.00 C ATOM 476 NZ LYS A 31 11.097 22.661 19.930 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.571 25.771 17.499 1.00 0.00 H new ATOM 0 HA LYS A 31 9.076 25.624 14.772 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.248 24.781 15.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.733 25.920 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.811 23.990 18.046 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.418 22.875 16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.753 23.892 17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.080 24.780 18.562 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.034 21.730 18.263 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.128 22.622 19.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.352 21.981 20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.041 23.616 20.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.174 22.403 19.527 1.00 0.00 H new ATOM 490 N ASP A 32 8.216 22.758 16.136 1.00 0.00 N ATOM 491 CA ASP A 32 7.831 21.388 15.825 1.00 0.00 C ATOM 492 C ASP A 32 6.703 21.356 14.804 1.00 0.00 C ATOM 493 O ASP A 32 6.677 20.497 13.923 1.00 0.00 O ATOM 494 CB ASP A 32 7.393 20.652 17.091 1.00 0.00 C ATOM 495 CG ASP A 32 7.120 19.189 16.762 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.286 18.821 15.610 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.746 18.457 17.664 1.00 0.00 O ATOM 0 H ASP A 32 8.058 23.038 17.104 1.00 0.00 H new ATOM 0 HA ASP A 32 8.702 20.888 15.402 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.169 20.725 17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.497 21.116 17.502 1.00 0.00 H new ATOM 502 N LEU A 33 5.769 22.294 14.921 1.00 0.00 N ATOM 503 CA LEU A 33 4.653 22.341 13.988 1.00 0.00 C ATOM 504 C LEU A 33 5.166 22.528 12.573 1.00 0.00 C ATOM 505 O LEU A 33 4.728 21.844 11.647 1.00 0.00 O ATOM 506 CB LEU A 33 3.717 23.504 14.317 1.00 0.00 C ATOM 507 CG LEU A 33 3.172 23.366 15.736 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.313 24.585 16.048 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.299 22.113 15.841 1.00 0.00 C ATOM 0 H LEU A 33 5.762 23.019 15.639 1.00 0.00 H new ATOM 0 HA LEU A 33 4.109 21.400 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.252 24.449 14.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.892 23.527 13.605 1.00 0.00 H new ATOM 0 HG LEU A 33 4.003 23.289 16.438 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.916 24.501 17.060 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.920 25.487 15.970 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.488 24.640 15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.914 22.022 16.857 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.466 22.191 15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.895 21.233 15.599 1.00 0.00 H new ATOM 521 N VAL A 34 6.098 23.459 12.400 1.00 0.00 N ATOM 522 CA VAL A 34 6.637 23.702 11.070 1.00 0.00 C ATOM 523 C VAL A 34 7.335 22.451 10.546 1.00 0.00 C ATOM 524 O VAL A 34 7.334 22.190 9.343 1.00 0.00 O ATOM 525 CB VAL A 34 7.584 24.916 11.068 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.929 24.583 11.722 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.836 25.357 9.625 1.00 0.00 C ATOM 0 H VAL A 34 6.486 24.042 13.141 1.00 0.00 H new ATOM 0 HA VAL A 34 5.810 23.936 10.400 1.00 0.00 H new ATOM 0 HB VAL A 34 7.109 25.713 11.640 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.571 25.464 11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.765 24.276 12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.409 23.772 11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.506 26.217 9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.291 24.538 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.890 25.631 9.158 1.00 0.00 H new ATOM 537 N ALA A 35 7.920 21.675 11.450 1.00 0.00 N ATOM 538 CA ALA A 35 8.605 20.451 11.056 1.00 0.00 C ATOM 539 C ALA A 35 7.613 19.451 10.469 1.00 0.00 C ATOM 540 O ALA A 35 7.914 18.773 9.488 1.00 0.00 O ATOM 541 CB ALA A 35 9.305 19.830 12.265 1.00 0.00 C ATOM 0 H ALA A 35 7.934 21.869 12.451 1.00 0.00 H new ATOM 0 HA ALA A 35 9.348 20.699 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.814 18.916 11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.034 20.535 12.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.567 19.596 13.032 1.00 0.00 H new ATOM 547 N LYS A 36 6.433 19.365 11.073 1.00 0.00 N ATOM 548 CA LYS A 36 5.408 18.440 10.594 1.00 0.00 C ATOM 549 C LYS A 36 4.940 18.834 9.192 1.00 0.00 C ATOM 550 O LYS A 36 4.705 17.977 8.339 1.00 0.00 O ATOM 551 CB LYS A 36 4.206 18.440 11.543 1.00 0.00 C ATOM 552 CG LYS A 36 4.632 17.958 12.933 1.00 0.00 C ATOM 553 CD LYS A 36 3.401 17.863 13.842 1.00 0.00 C ATOM 554 CE LYS A 36 3.837 17.553 15.277 1.00 0.00 C ATOM 555 NZ LYS A 36 2.631 17.306 16.120 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.162 19.917 11.887 1.00 0.00 H new ATOM 0 HA LYS A 36 5.845 17.442 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.786 19.444 11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.422 17.793 11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.118 16.985 12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.361 18.647 13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.845 18.800 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.730 17.084 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.488 16.679 15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.413 18.386 15.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.926 17.095 17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.026 18.152 16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.099 16.498 15.737 1.00 0.00 H new ATOM 569 N LEU A 37 4.794 20.140 8.977 1.00 0.00 N ATOM 570 CA LEU A 37 4.337 20.670 7.690 1.00 0.00 C ATOM 571 C LEU A 37 5.318 20.335 6.567 1.00 0.00 C ATOM 572 O LEU A 37 4.909 19.974 5.463 1.00 0.00 O ATOM 573 CB LEU A 37 4.178 22.192 7.800 1.00 0.00 C ATOM 574 CG LEU A 37 3.487 22.746 6.549 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.863 24.107 6.877 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.509 22.917 5.418 1.00 0.00 C ATOM 0 H LEU A 37 4.986 20.855 9.679 1.00 0.00 H new ATOM 0 HA LEU A 37 3.380 20.207 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.594 22.440 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.156 22.659 7.921 1.00 0.00 H new ATOM 0 HG LEU A 37 2.712 22.049 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.370 24.505 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.131 23.989 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.643 24.797 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.010 23.311 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.289 23.610 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.956 21.951 5.183 1.00 0.00 H new ATOM 588 N THR A 38 6.613 20.455 6.851 1.00 0.00 N ATOM 589 CA THR A 38 7.634 20.161 5.849 1.00 0.00 C ATOM 590 C THR A 38 8.515 18.993 6.291 1.00 0.00 C ATOM 591 O THR A 38 8.781 18.816 7.478 1.00 0.00 O ATOM 592 CB THR A 38 8.509 21.392 5.595 1.00 0.00 C ATOM 593 OG1 THR A 38 7.697 22.463 5.127 1.00 0.00 O ATOM 594 CG2 THR A 38 9.566 21.057 4.540 1.00 0.00 C ATOM 0 H THR A 38 6.977 20.751 7.757 1.00 0.00 H new ATOM 0 HA THR A 38 7.123 19.886 4.926 1.00 0.00 H new ATOM 0 HB THR A 38 9.000 21.686 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.096 22.846 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.189 21.933 4.359 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.188 20.236 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.074 20.763 3.613 1.00 0.00 H new ATOM 602 N ASN A 39 8.966 18.202 5.324 1.00 0.00 N ATOM 603 CA ASN A 39 9.819 17.053 5.615 1.00 0.00 C ATOM 604 C ASN A 39 10.620 17.272 6.902 1.00 0.00 C ATOM 605 O ASN A 39 10.952 18.405 7.256 1.00 0.00 O ATOM 606 CB ASN A 39 10.759 16.806 4.432 1.00 0.00 C ATOM 607 CG ASN A 39 9.943 16.334 3.229 1.00 0.00 C ATOM 608 OD1 ASN A 39 8.975 15.592 3.392 1.00 0.00 O ATOM 609 ND2 ASN A 39 10.265 16.728 2.025 1.00 0.00 N ATOM 0 H ASN A 39 8.757 18.334 4.334 1.00 0.00 H new ATOM 0 HA ASN A 39 9.189 16.177 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.298 17.720 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.506 16.057 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.714 16.420 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.067 17.343 1.887 1.00 0.00 H new ATOM 616 N SER A 40 10.907 16.173 7.604 1.00 0.00 N ATOM 617 CA SER A 40 11.649 16.230 8.866 1.00 0.00 C ATOM 618 C SER A 40 12.923 17.054 8.733 1.00 0.00 C ATOM 619 O SER A 40 14.027 16.511 8.703 1.00 0.00 O ATOM 620 CB SER A 40 12.008 14.816 9.330 1.00 0.00 C ATOM 621 OG SER A 40 13.138 14.353 8.604 1.00 0.00 O ATOM 0 H SER A 40 10.636 15.232 7.319 1.00 0.00 H new ATOM 0 HA SER A 40 11.005 16.711 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.224 14.816 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.163 14.145 9.175 1.00 0.00 H new ATOM 0 HG SER A 40 13.924 14.886 8.846 1.00 0.00 H new ATOM 627 N ASP A 41 12.761 18.369 8.671 1.00 0.00 N ATOM 628 CA ASP A 41 13.902 19.265 8.562 1.00 0.00 C ATOM 629 C ASP A 41 14.104 20.021 9.872 1.00 0.00 C ATOM 630 O ASP A 41 13.152 20.239 10.622 1.00 0.00 O ATOM 631 CB ASP A 41 13.672 20.261 7.424 1.00 0.00 C ATOM 632 CG ASP A 41 14.521 19.877 6.217 1.00 0.00 C ATOM 633 OD1 ASP A 41 14.614 18.694 5.936 1.00 0.00 O ATOM 634 OD2 ASP A 41 15.068 20.771 5.594 1.00 0.00 O1- ATOM 0 H ASP A 41 11.855 18.836 8.694 1.00 0.00 H new ATOM 0 HA ASP A 41 14.794 18.675 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.618 20.274 7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.928 21.268 7.754 1.00 0.00 H new ATOM 639 N PRO A 42 15.314 20.431 10.155 1.00 0.00 N ATOM 640 CA PRO A 42 15.640 21.193 11.401 1.00 0.00 C ATOM 641 C PRO A 42 14.947 22.552 11.398 1.00 0.00 C ATOM 642 O PRO A 42 13.934 22.749 12.066 1.00 0.00 O ATOM 643 CB PRO A 42 17.164 21.352 11.339 1.00 0.00 C ATOM 644 CG PRO A 42 17.506 21.219 9.893 1.00 0.00 C ATOM 645 CD PRO A 42 16.504 20.223 9.320 1.00 0.00 C ATOM 0 HA PRO A 42 15.306 20.690 12.308 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.476 22.320 11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 42 17.665 20.589 11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 42 17.436 22.181 9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.528 20.864 9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.298 20.419 8.268 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.870 19.199 9.388 1.00 0.00 H new ATOM 653 N ILE A 43 15.493 23.474 10.614 1.00 0.00 N ATOM 654 CA ILE A 43 14.914 24.805 10.488 1.00 0.00 C ATOM 655 C ILE A 43 14.093 24.880 9.208 1.00 0.00 C ATOM 656 O ILE A 43 12.944 24.440 9.162 1.00 0.00 O ATOM 657 CB ILE A 43 16.016 25.862 10.433 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.234 25.288 9.705 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.409 26.281 11.849 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.131 26.432 9.232 1.00 0.00 C ATOM 0 H ILE A 43 16.334 23.324 10.057 1.00 0.00 H new ATOM 0 HA ILE A 43 14.279 24.994 11.354 1.00 0.00 H new ATOM 0 HB ILE A 43 15.650 26.737 9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.790 24.627 10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.913 24.688 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.195 27.035 11.800 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.540 26.695 12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.773 25.412 12.398 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.998 26.024 8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.572 27.076 8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.463 27.014 10.092 1.00 0.00 H new ATOM 672 N MET A 44 14.715 25.420 8.164 1.00 0.00 N ATOM 673 CA MET A 44 14.078 25.541 6.865 1.00 0.00 C ATOM 674 C MET A 44 12.865 26.467 6.921 1.00 0.00 C ATOM 675 O MET A 44 12.627 27.243 5.996 1.00 0.00 O ATOM 676 CB MET A 44 13.677 24.158 6.369 1.00 0.00 C ATOM 677 CG MET A 44 13.001 24.278 5.012 1.00 0.00 C ATOM 678 SD MET A 44 14.195 24.883 3.795 1.00 0.00 S ATOM 679 CE MET A 44 13.041 25.898 2.841 1.00 0.00 C ATOM 0 H MET A 44 15.668 25.782 8.198 1.00 0.00 H new ATOM 0 HA MET A 44 14.790 25.984 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.557 23.519 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.001 23.687 7.083 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.609 23.309 4.702 1.00 0.00 H new ATOM 0 HG3 MET A 44 12.153 24.960 5.075 1.00 0.00 H new ATOM 0 HE1 MET A 44 13.315 25.866 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.029 25.512 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 44 13.083 26.928 3.196 1.00 0.00 H new ATOM 689 N ASN A 45 12.113 26.396 8.009 1.00 0.00 N ATOM 690 CA ASN A 45 10.942 27.252 8.174 1.00 0.00 C ATOM 691 C ASN A 45 10.116 27.309 6.893 1.00 0.00 C ATOM 692 O ASN A 45 9.303 28.215 6.713 1.00 0.00 O ATOM 693 CB ASN A 45 11.391 28.665 8.531 1.00 0.00 C ATOM 694 CG ASN A 45 11.897 29.363 7.276 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.104 29.837 6.467 1.00 0.00 O ATOM 696 ND2 ASN A 45 13.182 29.445 7.064 1.00 0.00 N ATOM 0 H ASN A 45 12.288 25.760 8.787 1.00 0.00 H new ATOM 0 HA ASN A 45 10.327 26.834 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.561 29.225 8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.178 28.630 9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.532 29.904 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.837 29.050 7.739 1.00 0.00 H new ATOM 703 N GLN A 46 10.352 26.363 5.992 1.00 0.00 N ATOM 704 CA GLN A 46 9.641 26.342 4.714 1.00 0.00 C ATOM 705 C GLN A 46 9.646 27.739 4.096 1.00 0.00 C ATOM 706 O GLN A 46 8.599 28.323 3.817 1.00 0.00 O ATOM 707 CB GLN A 46 8.208 25.832 4.883 1.00 0.00 C ATOM 708 CG GLN A 46 7.432 26.692 5.882 1.00 0.00 C ATOM 709 CD GLN A 46 5.981 26.242 5.908 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.198 26.609 5.032 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.574 25.455 6.862 1.00 0.00 N ATOM 0 H GLN A 46 11.023 25.606 6.118 1.00 0.00 H new ATOM 0 HA GLN A 46 10.157 25.654 4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.699 25.841 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.225 24.797 5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.871 26.602 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.494 27.743 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.225 25.153 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.604 25.141 6.885 1.00 0.00 H new ATOM 720 N LEU A 47 10.853 28.256 3.900 1.00 0.00 N ATOM 721 CA LEU A 47 11.053 29.590 3.336 1.00 0.00 C ATOM 722 C LEU A 47 10.121 29.864 2.158 1.00 0.00 C ATOM 723 O LEU A 47 9.443 30.891 2.129 1.00 0.00 O ATOM 724 CB LEU A 47 12.506 29.737 2.870 1.00 0.00 C ATOM 725 CG LEU A 47 13.428 29.758 4.089 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.868 29.487 3.655 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.360 31.131 4.761 1.00 0.00 C ATOM 0 H LEU A 47 11.719 27.767 4.126 1.00 0.00 H new ATOM 0 HA LEU A 47 10.825 30.313 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.774 28.911 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.624 30.655 2.294 1.00 0.00 H new ATOM 0 HG LEU A 47 13.107 28.987 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.520 29.503 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.926 28.509 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.186 30.255 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.018 31.144 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.677 31.898 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.336 31.331 5.078 1.00 0.00 H new ATOM 739 N ASP A 48 10.112 28.967 1.177 1.00 0.00 N ATOM 740 CA ASP A 48 9.278 29.170 -0.007 1.00 0.00 C ATOM 741 C ASP A 48 7.796 29.274 0.352 1.00 0.00 C ATOM 742 O ASP A 48 7.131 30.236 -0.033 1.00 0.00 O ATOM 743 CB ASP A 48 9.477 28.022 -0.997 1.00 0.00 C ATOM 744 CG ASP A 48 8.847 26.744 -0.452 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.970 26.504 0.738 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.245 26.026 -1.235 1.00 0.00 O1- ATOM 0 H ASP A 48 10.661 28.107 1.174 1.00 0.00 H new ATOM 0 HA ASP A 48 9.586 30.111 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.028 28.277 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.541 27.865 -1.175 1.00 0.00 H new ATOM 751 N LEU A 49 7.275 28.296 1.090 1.00 0.00 N ATOM 752 CA LEU A 49 5.866 28.335 1.470 1.00 0.00 C ATOM 753 C LEU A 49 5.610 29.493 2.430 1.00 0.00 C ATOM 754 O LEU A 49 4.588 30.173 2.335 1.00 0.00 O ATOM 755 CB LEU A 49 5.446 27.015 2.122 1.00 0.00 C ATOM 756 CG LEU A 49 5.669 25.863 1.138 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.234 24.547 1.785 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.837 26.098 -0.127 1.00 0.00 C ATOM 0 H LEU A 49 7.793 27.486 1.430 1.00 0.00 H new ATOM 0 HA LEU A 49 5.272 28.483 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.023 26.847 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.397 27.059 2.414 1.00 0.00 H new ATOM 0 HG LEU A 49 6.726 25.814 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.393 23.727 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.822 24.373 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.177 24.602 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.997 25.277 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.781 26.149 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.140 27.035 -0.593 1.00 0.00 H new ATOM 770 N LEU A 50 6.536 29.705 3.364 1.00 0.00 N ATOM 771 CA LEU A 50 6.373 30.778 4.338 1.00 0.00 C ATOM 772 C LEU A 50 6.256 32.126 3.629 1.00 0.00 C ATOM 773 O LEU A 50 5.398 32.936 3.969 1.00 0.00 O ATOM 774 CB LEU A 50 7.562 30.809 5.308 1.00 0.00 C ATOM 775 CG LEU A 50 7.056 31.034 6.737 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.241 31.275 7.675 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.125 32.251 6.772 1.00 0.00 C ATOM 0 H LEU A 50 7.391 29.158 3.465 1.00 0.00 H new ATOM 0 HA LEU A 50 5.459 30.590 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.115 29.871 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.253 31.604 5.027 1.00 0.00 H new ATOM 0 HG LEU A 50 6.509 30.149 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.875 31.434 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.900 30.407 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.793 32.156 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.768 32.407 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.669 33.135 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.275 32.078 6.112 1.00 0.00 H new ATOM 789 N HIS A 51 7.121 32.367 2.643 1.00 0.00 N ATOM 790 CA HIS A 51 7.089 33.623 1.903 1.00 0.00 C ATOM 791 C HIS A 51 5.740 33.812 1.219 1.00 0.00 C ATOM 792 O HIS A 51 5.147 34.887 1.290 1.00 0.00 O ATOM 793 CB HIS A 51 8.198 33.636 0.850 1.00 0.00 C ATOM 794 CG HIS A 51 9.535 33.519 1.530 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.733 33.679 0.848 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.880 33.254 2.833 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.731 33.511 1.736 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.267 33.251 2.961 1.00 0.00 N ATOM 0 H HIS A 51 7.845 31.714 2.342 1.00 0.00 H new ATOM 0 HA HIS A 51 7.243 34.439 2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.060 32.811 0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.152 34.557 0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.838 33.886 -0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.181 33.075 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.780 33.578 1.488 1.00 0.00 H new ATOM 807 N LYS A 52 5.257 32.763 0.562 1.00 0.00 N ATOM 808 CA LYS A 52 3.973 32.849 -0.116 1.00 0.00 C ATOM 809 C LYS A 52 2.894 33.208 0.900 1.00 0.00 C ATOM 810 O LYS A 52 2.083 34.102 0.672 1.00 0.00 O ATOM 811 CB LYS A 52 3.630 31.508 -0.781 1.00 0.00 C ATOM 812 CG LYS A 52 4.631 31.203 -1.903 1.00 0.00 C ATOM 813 CD LYS A 52 4.257 29.877 -2.578 1.00 0.00 C ATOM 814 CE LYS A 52 5.319 29.508 -3.617 1.00 0.00 C ATOM 815 NZ LYS A 52 4.665 28.898 -4.809 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.726 31.860 0.486 1.00 0.00 H new ATOM 0 HA LYS A 52 4.026 33.618 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.650 30.710 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.618 31.542 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.628 32.010 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.641 31.144 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.176 29.088 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.281 29.964 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.878 30.396 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.036 28.809 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.389 28.649 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.151 28.041 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.998 29.579 -5.225 1.00 0.00 H new ATOM 829 N TRP A 53 2.906 32.504 2.026 1.00 0.00 N ATOM 830 CA TRP A 53 1.939 32.744 3.092 1.00 0.00 C ATOM 831 C TRP A 53 2.046 34.176 3.597 1.00 0.00 C ATOM 832 O TRP A 53 1.064 34.915 3.625 1.00 0.00 O ATOM 833 CB TRP A 53 2.229 31.774 4.240 1.00 0.00 C ATOM 834 CG TRP A 53 1.124 31.774 5.245 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.084 30.908 5.252 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.945 32.638 6.405 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.722 31.188 6.341 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.234 32.244 7.082 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.682 33.713 6.931 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.666 32.891 8.239 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.251 34.368 8.097 1.00 0.00 C ATOM 842 CH2 TRP A 53 0.080 33.957 8.749 1.00 0.00 C ATOM 0 H TRP A 53 3.576 31.761 2.225 1.00 0.00 H new ATOM 0 HA TRP A 53 0.931 32.588 2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.362 30.768 3.843 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.165 32.052 4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.088 30.127 4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.574 30.675 6.568 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.585 34.038 6.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.569 32.571 8.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.825 35.193 8.493 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.246 34.464 9.645 1.00 0.00 H new ATOM 853 N LEU A 54 3.251 34.556 4.003 1.00 0.00 N ATOM 854 CA LEU A 54 3.476 35.901 4.516 1.00 0.00 C ATOM 855 C LEU A 54 3.055 36.938 3.485 1.00 0.00 C ATOM 856 O LEU A 54 2.280 37.846 3.781 1.00 0.00 O ATOM 857 CB LEU A 54 4.960 36.100 4.837 1.00 0.00 C ATOM 858 CG LEU A 54 5.167 37.481 5.466 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.765 37.433 6.938 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.639 37.896 5.356 1.00 0.00 C ATOM 0 H LEU A 54 4.078 33.960 3.988 1.00 0.00 H new ATOM 0 HA LEU A 54 2.882 36.024 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.302 35.323 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.555 36.010 3.928 1.00 0.00 H new ATOM 0 HG LEU A 54 4.551 38.208 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.912 38.415 7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.716 37.150 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.380 36.700 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.774 38.879 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.262 37.169 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.929 37.935 4.306 1.00 0.00 H new ATOM 872 N ASP A 55 3.593 36.799 2.278 1.00 0.00 N ATOM 873 CA ASP A 55 3.298 37.725 1.195 1.00 0.00 C ATOM 874 C ASP A 55 1.799 37.839 0.963 1.00 0.00 C ATOM 875 O ASP A 55 1.265 38.937 0.804 1.00 0.00 O ATOM 876 CB ASP A 55 3.968 37.229 -0.087 1.00 0.00 C ATOM 877 CG ASP A 55 5.484 37.300 0.055 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.939 37.826 1.055 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.166 36.821 -0.835 1.00 0.00 O ATOM 0 H ASP A 55 4.238 36.050 2.026 1.00 0.00 H new ATOM 0 HA ASP A 55 3.681 38.708 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.662 36.204 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.645 37.835 -0.934 1.00 0.00 H new ATOM 884 N ARG A 56 1.126 36.697 0.938 1.00 0.00 N ATOM 885 CA ARG A 56 -0.308 36.666 0.717 1.00 0.00 C ATOM 886 C ARG A 56 -1.054 37.440 1.797 1.00 0.00 C ATOM 887 O ARG A 56 -2.106 38.022 1.536 1.00 0.00 O ATOM 888 CB ARG A 56 -0.802 35.221 0.707 1.00 0.00 C ATOM 889 CG ARG A 56 -2.282 35.198 0.336 1.00 0.00 C ATOM 890 CD ARG A 56 -2.790 33.761 0.378 1.00 0.00 C ATOM 891 NE ARG A 56 -4.136 33.725 0.933 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.474 32.854 1.878 1.00 0.00 C ATOM 893 NH1 ARG A 56 -3.616 31.959 2.295 1.00 0.00 N ATOM 894 NH2 ARG A 56 -5.673 32.889 2.385 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.553 35.780 1.069 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.505 37.136 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.227 34.633 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.653 34.767 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.852 35.818 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.426 35.618 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.790 33.337 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.122 33.148 0.983 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.835 34.383 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.679 31.926 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.884 31.295 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.346 33.582 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.939 32.224 3.111 1.00 0.00 H new ATOM 908 N HIS A 57 -0.514 37.439 3.008 1.00 0.00 N ATOM 909 CA HIS A 57 -1.155 38.138 4.111 1.00 0.00 C ATOM 910 C HIS A 57 -0.327 39.337 4.559 1.00 0.00 C ATOM 911 O HIS A 57 -0.445 39.788 5.697 1.00 0.00 O ATOM 912 CB HIS A 57 -1.367 37.177 5.283 1.00 0.00 C ATOM 913 CG HIS A 57 -2.261 36.056 4.840 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.371 36.273 4.038 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.230 34.708 5.086 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.955 35.082 3.826 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.300 34.092 4.445 1.00 0.00 N ATOM 0 H HIS A 57 0.357 36.967 3.249 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.121 38.506 3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.410 36.783 5.624 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.814 37.704 6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.686 37.173 3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.488 34.201 5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.844 34.940 3.229 1.00 0.00 H new ATOM 926 N ARG A 58 0.502 39.850 3.653 1.00 0.00 N ATOM 927 CA ARG A 58 1.338 41.007 3.957 1.00 0.00 C ATOM 928 C ARG A 58 0.483 42.180 4.424 1.00 0.00 C ATOM 929 O ARG A 58 0.885 42.960 5.286 1.00 0.00 O ATOM 930 CB ARG A 58 2.126 41.414 2.715 1.00 0.00 C ATOM 931 CG ARG A 58 1.162 41.833 1.606 1.00 0.00 C ATOM 932 CD ARG A 58 1.927 41.896 0.287 1.00 0.00 C ATOM 933 NE ARG A 58 3.314 42.271 0.537 1.00 0.00 N ATOM 934 CZ ARG A 58 4.300 41.769 -0.193 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.034 41.000 -1.213 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.537 42.058 0.105 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.612 39.485 2.707 1.00 0.00 H new ATOM 0 HA ARG A 58 2.027 40.735 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.800 42.237 2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.745 40.583 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.340 41.121 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.723 42.804 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.887 40.929 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.460 42.620 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 58 3.529 42.930 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.066 40.784 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.794 40.615 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.742 42.668 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.299 41.674 -0.454 1.00 0.00 H new ATOM 950 N ASP A 59 -0.700 42.288 3.835 1.00 0.00 N ATOM 951 CA ASP A 59 -1.629 43.358 4.174 1.00 0.00 C ATOM 952 C ASP A 59 -1.987 43.311 5.662 1.00 0.00 C ATOM 953 O ASP A 59 -2.324 44.328 6.266 1.00 0.00 O ATOM 954 CB ASP A 59 -2.896 43.230 3.314 1.00 0.00 C ATOM 955 CG ASP A 59 -3.524 41.852 3.501 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.544 41.376 4.623 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.970 41.289 2.514 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.040 41.646 3.119 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.153 44.317 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.612 44.004 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.649 43.385 2.264 1.00 0.00 H new ATOM 962 N MET A 60 -1.919 42.114 6.235 1.00 0.00 N ATOM 963 CA MET A 60 -2.244 41.909 7.647 1.00 0.00 C ATOM 964 C MET A 60 -1.333 42.719 8.570 1.00 0.00 C ATOM 965 O MET A 60 -1.733 43.101 9.665 1.00 0.00 O ATOM 966 CB MET A 60 -2.081 40.430 7.990 1.00 0.00 C ATOM 967 CG MET A 60 -0.605 40.140 8.269 1.00 0.00 C ATOM 968 SD MET A 60 -0.266 38.390 7.974 1.00 0.00 S ATOM 969 CE MET A 60 1.401 38.375 8.674 1.00 0.00 C ATOM 0 H MET A 60 -1.640 41.265 5.742 1.00 0.00 H new ATOM 0 HA MET A 60 -3.271 42.241 7.799 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.685 40.177 8.861 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.436 39.812 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.025 40.756 7.627 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.361 40.400 9.299 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.742 37.345 8.779 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.078 38.916 8.013 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.389 38.854 9.653 1.00 0.00 H new ATOM 979 N CYS A 61 -0.103 42.951 8.133 1.00 0.00 N ATOM 980 CA CYS A 61 0.872 43.682 8.945 1.00 0.00 C ATOM 981 C CYS A 61 0.416 45.110 9.248 1.00 0.00 C ATOM 982 O CYS A 61 0.809 45.686 10.262 1.00 0.00 O ATOM 983 CB CYS A 61 2.218 43.713 8.219 1.00 0.00 C ATOM 984 SG CYS A 61 2.161 44.938 6.888 1.00 0.00 S ATOM 0 H CYS A 61 0.247 42.647 7.225 1.00 0.00 H new ATOM 0 HA CYS A 61 0.968 43.161 9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.015 43.960 8.920 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.446 42.728 7.811 1.00 0.00 H new ATOM 0 HG CYS A 61 3.349 45.431 6.701 1.00 0.00 H new ATOM 990 N GLU A 62 -0.388 45.683 8.365 1.00 0.00 N ATOM 991 CA GLU A 62 -0.863 47.056 8.547 1.00 0.00 C ATOM 992 C GLU A 62 -1.941 47.149 9.632 1.00 0.00 C ATOM 993 O GLU A 62 -2.290 48.245 10.069 1.00 0.00 O ATOM 994 CB GLU A 62 -1.424 47.581 7.225 1.00 0.00 C ATOM 995 CG GLU A 62 -0.300 47.658 6.190 1.00 0.00 C ATOM 996 CD GLU A 62 -0.845 48.200 4.875 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.051 48.362 4.779 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.049 48.446 3.982 1.00 0.00 O ATOM 0 H GLU A 62 -0.726 45.226 7.518 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.015 47.662 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.218 46.925 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.867 48.566 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.500 48.302 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.132 46.669 6.035 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.479 46.005 10.051 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.533 45.981 11.069 1.00 0.00 C ATOM 1007 C LYS A 63 -2.963 45.947 12.488 1.00 0.00 C ATOM 1008 O LYS A 63 -3.665 45.587 13.432 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.421 44.758 10.851 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.119 44.876 9.495 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.971 43.631 9.245 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.446 43.623 7.792 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.875 44.035 7.735 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.205 45.085 9.705 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.113 46.898 10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.822 43.848 10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.160 44.684 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.746 45.768 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.379 44.987 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.391 42.732 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.828 43.622 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.837 44.302 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.326 42.628 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.199 44.030 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.450 43.371 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.976 44.993 8.127 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.713 46.361 12.641 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.095 46.408 13.963 1.00 0.00 C ATOM 1029 C TRP A 64 0.225 47.156 13.909 1.00 0.00 C ATOM 1030 O TRP A 64 0.482 48.054 14.711 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.847 45.004 14.530 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.041 43.965 13.477 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.270 43.818 12.379 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.044 42.914 13.418 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.739 42.746 11.644 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.837 42.157 12.242 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.106 42.554 14.261 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.659 41.076 11.916 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.936 41.470 13.938 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.713 40.732 12.768 1.00 0.00 C ATOM 0 H TRP A 64 -1.111 46.667 11.877 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.792 46.929 14.619 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.166 44.941 14.927 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.527 44.817 15.361 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.575 44.437 12.118 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.325 42.428 10.767 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.286 43.116 15.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.482 40.510 11.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.751 41.203 14.594 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.355 39.898 12.524 1.00 0.00 H new ATOM 1051 N LYS A 65 1.068 46.760 12.965 1.00 0.00 N ATOM 1052 CA LYS A 65 2.375 47.373 12.818 1.00 0.00 C ATOM 1053 C LYS A 65 3.246 47.019 14.024 1.00 0.00 C ATOM 1054 O LYS A 65 4.425 47.372 14.080 1.00 0.00 O ATOM 1055 CB LYS A 65 2.233 48.889 12.713 1.00 0.00 C ATOM 1056 CG LYS A 65 3.523 49.478 12.148 1.00 0.00 C ATOM 1057 CD LYS A 65 3.439 51.002 12.152 1.00 0.00 C ATOM 1058 CE LYS A 65 4.574 51.562 11.298 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.865 50.936 11.707 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.868 46.019 12.293 1.00 0.00 H new ATOM 0 HA LYS A 65 2.845 46.997 11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.391 49.143 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.024 49.315 13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.375 49.150 12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.685 49.116 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.476 51.327 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.512 51.381 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.381 51.365 10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.630 52.644 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.656 51.532 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.894 50.845 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.946 49.994 11.275 1.00 0.00 H new ATOM 1073 N SER A 66 2.644 46.315 14.989 1.00 0.00 N ATOM 1074 CA SER A 66 3.360 45.906 16.199 1.00 0.00 C ATOM 1075 C SER A 66 3.917 44.493 16.043 1.00 0.00 C ATOM 1076 O SER A 66 3.229 43.593 15.566 1.00 0.00 O ATOM 1077 CB SER A 66 2.425 45.958 17.409 1.00 0.00 C ATOM 1078 OG SER A 66 1.199 45.310 17.092 1.00 0.00 O ATOM 0 H SER A 66 1.669 46.019 14.955 1.00 0.00 H new ATOM 0 HA SER A 66 4.189 46.596 16.354 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.894 45.473 18.265 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.238 46.994 17.693 1.00 0.00 H new ATOM 0 HG SER A 66 0.461 45.950 17.168 1.00 0.00 H new ATOM 1084 N LYS A 67 5.166 44.310 16.441 1.00 0.00 N ATOM 1085 CA LYS A 67 5.823 43.011 16.332 1.00 0.00 C ATOM 1086 C LYS A 67 5.137 41.930 17.171 1.00 0.00 C ATOM 1087 O LYS A 67 4.786 40.869 16.659 1.00 0.00 O ATOM 1088 CB LYS A 67 7.270 43.146 16.804 1.00 0.00 C ATOM 1089 CG LYS A 67 8.013 41.817 16.643 1.00 0.00 C ATOM 1090 CD LYS A 67 8.547 41.693 15.217 1.00 0.00 C ATOM 1091 CE LYS A 67 9.549 40.538 15.134 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.801 39.981 16.494 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.749 45.044 16.844 1.00 0.00 H new ATOM 0 HA LYS A 67 5.768 42.706 15.287 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.775 43.923 16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.290 43.457 17.849 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.836 41.761 17.356 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.343 40.986 16.864 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.723 41.521 14.524 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.027 42.625 14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.163 39.757 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.484 40.888 14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.373 39.116 16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.312 40.683 17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.894 39.755 16.950 1.00 0.00 H new ATOM 1106 N GLU A 68 4.995 42.190 18.465 1.00 0.00 N ATOM 1107 CA GLU A 68 4.410 41.209 19.376 1.00 0.00 C ATOM 1108 C GLU A 68 3.001 40.808 18.961 1.00 0.00 C ATOM 1109 O GLU A 68 2.640 39.633 19.022 1.00 0.00 O ATOM 1110 CB GLU A 68 4.359 41.798 20.783 1.00 0.00 C ATOM 1111 CG GLU A 68 4.340 40.662 21.804 1.00 0.00 C ATOM 1112 CD GLU A 68 3.960 41.199 23.178 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.835 41.718 23.854 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 2.802 41.078 23.540 1.00 0.00 O ATOM 0 H GLU A 68 5.274 43.066 18.907 1.00 0.00 H new ATOM 0 HA GLU A 68 5.037 40.318 19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.223 42.441 20.952 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.472 42.420 20.897 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.628 39.897 21.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.320 40.187 21.849 1.00 0.00 H new ATOM 1121 N ASP A 69 2.201 41.784 18.560 1.00 0.00 N ATOM 1122 CA ASP A 69 0.828 41.499 18.166 1.00 0.00 C ATOM 1123 C ASP A 69 0.783 40.546 16.978 1.00 0.00 C ATOM 1124 O ASP A 69 0.031 39.569 16.978 1.00 0.00 O ATOM 1125 CB ASP A 69 0.118 42.800 17.790 1.00 0.00 C ATOM 1126 CG ASP A 69 0.224 43.805 18.934 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.042 43.590 19.813 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -0.509 44.780 18.907 1.00 0.00 O ATOM 0 H ASP A 69 2.472 42.766 18.499 1.00 0.00 H new ATOM 0 HA ASP A 69 0.326 41.028 19.011 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.562 43.218 16.886 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.930 42.600 17.567 1.00 0.00 H new ATOM 1133 N ILE A 70 1.576 40.835 15.960 1.00 0.00 N ATOM 1134 CA ILE A 70 1.589 39.994 14.770 1.00 0.00 C ATOM 1135 C ILE A 70 2.011 38.563 15.097 1.00 0.00 C ATOM 1136 O ILE A 70 1.426 37.610 14.585 1.00 0.00 O ATOM 1137 CB ILE A 70 2.542 40.562 13.721 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.104 41.970 13.315 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.512 39.660 12.487 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.207 42.622 12.475 1.00 0.00 C ATOM 0 H ILE A 70 2.211 41.633 15.930 1.00 0.00 H new ATOM 0 HA ILE A 70 0.572 39.980 14.378 1.00 0.00 H new ATOM 0 HB ILE A 70 3.548 40.607 14.138 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.176 41.924 12.745 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.904 42.571 14.202 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.189 40.056 11.730 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.826 38.654 12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.499 39.626 12.085 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.897 43.626 12.184 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.124 42.681 13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.385 42.024 11.581 1.00 0.00 H new ATOM 1152 N LEU A 71 3.038 38.409 15.928 1.00 0.00 N ATOM 1153 CA LEU A 71 3.518 37.072 16.269 1.00 0.00 C ATOM 1154 C LEU A 71 2.415 36.229 16.887 1.00 0.00 C ATOM 1155 O LEU A 71 2.268 35.051 16.564 1.00 0.00 O ATOM 1156 CB LEU A 71 4.685 37.159 17.258 1.00 0.00 C ATOM 1157 CG LEU A 71 5.885 37.860 16.612 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.106 37.730 17.528 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.197 37.214 15.260 1.00 0.00 C ATOM 0 H LEU A 71 3.545 39.175 16.370 1.00 0.00 H new ATOM 0 HA LEU A 71 3.849 36.600 15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.374 37.704 18.149 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.971 36.158 17.581 1.00 0.00 H new ATOM 0 HG LEU A 71 5.647 38.913 16.463 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.960 38.228 17.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.890 38.193 18.491 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.338 36.676 17.677 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.051 37.716 14.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.432 36.160 15.406 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.331 37.305 14.605 1.00 0.00 H new ATOM 1171 N HIS A 72 1.653 36.832 17.782 1.00 0.00 N ATOM 1172 CA HIS A 72 0.578 36.115 18.448 1.00 0.00 C ATOM 1173 C HIS A 72 -0.456 35.618 17.442 1.00 0.00 C ATOM 1174 O HIS A 72 -0.946 34.494 17.554 1.00 0.00 O ATOM 1175 CB HIS A 72 -0.086 37.012 19.495 1.00 0.00 C ATOM 1176 CG HIS A 72 0.883 37.242 20.626 1.00 0.00 C ATOM 1177 ND1 HIS A 72 0.559 37.994 21.746 1.00 0.00 N ATOM 1178 CD2 HIS A 72 2.174 36.821 20.819 1.00 0.00 C ATOM 1179 CE1 HIS A 72 1.637 38.001 22.556 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.649 37.301 22.036 1.00 0.00 N ATOM 0 H HIS A 72 1.756 37.807 18.063 1.00 0.00 H new ATOM 0 HA HIS A 72 1.007 35.246 18.947 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.376 37.963 19.048 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.997 36.545 19.868 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.737 36.209 20.130 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.677 38.510 23.508 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.572 37.151 22.443 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.783 36.453 16.460 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.763 36.062 15.447 1.00 0.00 C ATOM 1191 C LYS A 73 -1.221 34.932 14.582 1.00 0.00 C ATOM 1192 O LYS A 73 -1.886 33.917 14.389 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.162 37.259 14.574 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.253 38.079 15.279 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.692 38.729 16.542 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.623 38.447 17.721 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.977 38.994 17.428 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.393 37.388 16.343 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.654 35.707 15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.291 37.886 14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.525 36.910 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.634 38.846 14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.094 37.434 15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.696 38.340 16.751 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.590 39.804 16.395 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.684 37.374 17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.225 38.900 18.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.459 39.225 18.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.886 39.855 16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.533 38.285 16.908 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.008 35.095 14.066 1.00 0.00 N ATOM 1212 CA LEU A 74 0.578 34.046 13.245 1.00 0.00 C ATOM 1213 C LEU A 74 0.631 32.751 14.037 1.00 0.00 C ATOM 1214 O LEU A 74 0.324 31.685 13.512 1.00 0.00 O ATOM 1215 CB LEU A 74 1.989 34.421 12.789 1.00 0.00 C ATOM 1216 CG LEU A 74 1.932 35.313 11.542 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.823 36.359 11.676 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.279 36.022 11.362 1.00 0.00 C ATOM 0 H LEU A 74 0.575 35.922 14.197 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.045 33.919 12.360 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.511 34.942 13.592 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.559 33.518 12.571 1.00 0.00 H new ATOM 0 HG LEU A 74 1.720 34.688 10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.800 36.981 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.138 35.858 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.016 36.984 12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.241 36.656 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.488 36.635 12.239 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.068 35.279 11.243 1.00 0.00 H new ATOM 1230 N ASN A 75 1.005 32.849 15.309 1.00 0.00 N ATOM 1231 CA ASN A 75 1.068 31.665 16.149 1.00 0.00 C ATOM 1232 C ASN A 75 -0.287 30.966 16.152 1.00 0.00 C ATOM 1233 O ASN A 75 -0.376 29.756 15.943 1.00 0.00 O ATOM 1234 CB ASN A 75 1.439 32.055 17.583 1.00 0.00 C ATOM 1235 CG ASN A 75 2.890 32.526 17.655 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.444 32.660 18.746 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.540 32.796 16.555 1.00 0.00 N ATOM 0 H ASN A 75 1.264 33.720 15.771 1.00 0.00 H new ATOM 0 HA ASN A 75 1.828 30.992 15.752 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.776 32.847 17.933 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.295 31.202 18.246 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.507 33.118 16.600 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.081 32.685 15.651 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.342 31.747 16.380 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.696 31.209 16.403 1.00 0.00 C ATOM 1246 C GLU A 76 -3.103 30.701 15.023 1.00 0.00 C ATOM 1247 O GLU A 76 -3.722 29.647 14.895 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.674 32.299 16.849 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.461 32.614 18.331 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.422 33.715 18.770 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.034 34.317 17.904 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -4.529 33.942 19.964 1.00 0.00 O ATOM 0 H GLU A 76 -1.283 32.751 16.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.722 30.375 17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.526 33.199 16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.700 31.970 16.682 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.623 31.718 18.929 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.431 32.929 18.501 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.748 31.458 13.989 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.086 31.066 12.625 1.00 0.00 C ATOM 1261 C GLN A 77 -2.272 29.856 12.177 1.00 0.00 C ATOM 1262 O GLN A 77 -2.808 28.931 11.569 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.842 32.236 11.674 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.916 33.300 11.898 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.581 34.556 11.105 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.408 34.879 10.916 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.549 35.284 10.621 1.00 0.00 N ATOM 0 H GLN A 77 -2.233 32.335 14.067 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.140 30.791 12.604 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.852 32.659 11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.866 31.891 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.889 32.916 11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.987 33.539 12.959 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.519 35.013 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.336 36.124 10.084 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.982 29.860 12.487 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.118 28.747 12.111 1.00 0.00 C ATOM 1278 C TRP A 78 -0.692 27.441 12.641 1.00 0.00 C ATOM 1279 O TRP A 78 -0.766 26.443 11.923 1.00 0.00 O ATOM 1280 CB TRP A 78 1.278 28.953 12.691 1.00 0.00 C ATOM 1281 CG TRP A 78 2.294 28.316 11.810 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.302 27.022 11.423 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.460 28.934 11.210 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.408 26.806 10.619 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.153 27.958 10.458 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.974 30.240 11.243 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.326 28.268 9.770 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.151 30.556 10.553 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.827 29.572 9.817 1.00 0.00 C ATOM 0 H TRP A 78 -0.514 30.612 12.992 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.058 28.703 11.024 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.486 30.018 12.789 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.332 28.524 13.692 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.567 26.279 11.696 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.644 25.907 10.198 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.459 31.006 11.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.843 27.506 9.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.540 31.563 10.588 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.734 29.822 9.287 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.111 27.464 13.901 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.694 26.283 14.520 1.00 0.00 C ATOM 1302 C ASN A 79 -2.991 25.927 13.812 1.00 0.00 C ATOM 1303 O ASN A 79 -3.311 24.755 13.621 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.989 26.551 15.999 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.708 26.877 16.762 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.739 27.650 17.718 1.00 0.00 O ATOM 1307 ND2 ASN A 79 0.416 26.330 16.403 1.00 0.00 N ATOM 0 H ASN A 79 -1.058 28.281 14.509 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.986 25.458 14.438 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.691 27.380 16.089 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.468 25.678 16.442 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.273 26.542 16.914 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.441 25.689 15.610 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.734 26.961 13.435 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.006 26.773 12.756 1.00 0.00 C ATOM 1316 C LYS A 80 -4.812 26.626 11.248 1.00 0.00 C ATOM 1317 O LYS A 80 -5.762 26.338 10.520 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.917 27.975 13.018 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.359 27.574 12.730 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.181 28.805 12.341 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.652 28.402 12.225 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.385 29.383 11.374 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.476 27.936 13.589 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.459 25.861 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.817 28.305 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.626 28.814 12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.386 26.840 11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.795 27.099 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.063 29.589 13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.826 29.212 11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.731 27.404 11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.105 28.358 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.383 29.101 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.323 30.329 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.961 29.404 10.425 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.587 26.834 10.778 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.313 26.728 9.349 1.00 0.00 C ATOM 1338 C ASP A 81 -2.438 25.513 9.058 1.00 0.00 C ATOM 1339 O ASP A 81 -1.231 25.630 9.185 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.616 28.000 8.855 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.484 29.219 9.158 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -4.595 29.031 9.622 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -3.020 30.323 8.927 1.00 0.00 O ATOM 1344 OXT ASP A 81 -2.989 24.484 8.707 1.00 0.00 O ATOM 0 H ASP A 81 -2.780 27.073 11.354 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.260 26.608 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.645 28.105 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.432 27.931 7.783 1.00 0.00 H new TER 1349 ASP A 81