USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 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 Single : A 1 LEU N :NH3+ 151:sc= -0.128 (180deg=-0.601) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.131 (180deg=-0.586) USER MOD Single : A 12 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.9!) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.166 (180deg=-0.685) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 19 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.06) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= 0.0106 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.664 X(o=-0.66,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -109:sc= -0.145 (180deg=-0.952) USER MOD Single : A 52 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.031) USER MOD Single : A 54 THR OG1 : rot 148:sc= 0.912 USER MOD Single : A 56 GLN : amide:sc= 1.12 K(o=1.1,f=-0.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= -0.0546 (180deg=-0.378) USER MOD Single : A 64 ASN : amide:sc= -3.22 X(o=-3.2,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0156 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.660 -0.191 -0.838 1.00 0.00 N ATOM 2 CA LEU A 1 1.943 0.011 -2.254 1.00 0.00 C ATOM 3 C LEU A 1 1.475 -1.183 -3.079 1.00 0.00 C ATOM 4 O LEU A 1 0.946 -2.156 -2.540 1.00 0.00 O ATOM 5 CB LEU A 1 3.441 0.238 -2.468 1.00 0.00 C ATOM 6 CG LEU A 1 4.344 -0.972 -2.227 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.506 -0.974 -3.207 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.853 -0.981 -0.793 1.00 0.00 C ATOM 0 H1 LEU A 1 2.363 0.320 -0.267 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.709 0.169 -0.619 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.706 -1.206 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 1 1.397 0.894 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.594 0.582 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.764 1.044 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 1 3.758 -1.877 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.138 -1.842 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.122 -1.017 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.092 -0.064 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.494 -1.849 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.423 -0.071 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.007 -1.029 -0.107 1.00 0.00 H new ATOM 20 N THR A 2 1.675 -1.105 -4.391 1.00 0.00 N ATOM 21 CA THR A 2 1.275 -2.180 -5.291 1.00 0.00 C ATOM 22 C THR A 2 2.491 -2.923 -5.834 1.00 0.00 C ATOM 23 O THR A 2 3.409 -2.314 -6.384 1.00 0.00 O ATOM 24 CB THR A 2 0.445 -1.643 -6.472 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.614 -0.810 -5.989 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.136 -2.788 -7.289 1.00 0.00 C ATOM 0 H THR A 2 2.112 -0.308 -4.854 1.00 0.00 H new ATOM 0 HA THR A 2 0.662 -2.869 -4.709 1.00 0.00 H new ATOM 0 HB THR A 2 1.103 -1.057 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.135 -0.472 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.718 -2.385 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.674 -3.403 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.781 -3.397 -6.655 1.00 0.00 H new ATOM 34 N CYS A 3 2.490 -4.242 -5.678 1.00 0.00 N ATOM 35 CA CYS A 3 3.592 -5.069 -6.153 1.00 0.00 C ATOM 36 C CYS A 3 3.072 -6.271 -6.936 1.00 0.00 C ATOM 37 O CYS A 3 2.044 -6.854 -6.590 1.00 0.00 O ATOM 38 CB CYS A 3 4.445 -5.545 -4.975 1.00 0.00 C ATOM 39 SG CYS A 3 3.484 -5.984 -3.491 1.00 0.00 S ATOM 0 H CYS A 3 1.738 -4.762 -5.226 1.00 0.00 H new ATOM 0 HA CYS A 3 4.208 -4.463 -6.818 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.026 -6.412 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.157 -4.761 -4.715 1.00 0.00 H new ATOM 44 N LEU A 4 3.789 -6.636 -7.993 1.00 0.00 N ATOM 45 CA LEU A 4 3.401 -7.769 -8.827 1.00 0.00 C ATOM 46 C LEU A 4 3.676 -9.089 -8.114 1.00 0.00 C ATOM 47 O LEU A 4 4.683 -9.233 -7.421 1.00 0.00 O ATOM 48 CB LEU A 4 4.153 -7.729 -10.158 1.00 0.00 C ATOM 49 CG LEU A 4 3.524 -6.873 -11.259 1.00 0.00 C ATOM 50 CD1 LEU A 4 3.391 -5.429 -10.802 1.00 0.00 C ATOM 51 CD2 LEU A 4 4.349 -6.956 -12.535 1.00 0.00 C ATOM 0 H LEU A 4 4.642 -6.164 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 4 2.331 -7.697 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.162 -7.361 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.249 -8.749 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 4 2.527 -7.260 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.942 -4.835 -11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.759 -5.385 -9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.377 -5.030 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.887 -6.341 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.359 -6.595 -12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.393 -7.991 -12.873 1.00 0.00 H new ATOM 63 N ILE A 5 2.776 -10.050 -8.292 1.00 0.00 N ATOM 64 CA ILE A 5 2.923 -11.359 -7.668 1.00 0.00 C ATOM 65 C ILE A 5 2.115 -12.416 -8.412 1.00 0.00 C ATOM 66 O ILE A 5 1.004 -12.153 -8.875 1.00 0.00 O ATOM 67 CB ILE A 5 2.480 -11.333 -6.193 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.844 -12.670 -5.806 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.507 -10.189 -5.953 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.534 -12.787 -4.330 1.00 0.00 C ATOM 0 H ILE A 5 1.937 -9.947 -8.863 1.00 0.00 H new ATOM 0 HA ILE A 5 3.982 -11.614 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 5 3.358 -11.175 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.923 -12.803 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.515 -13.479 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.203 -10.184 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.991 -9.243 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.629 -10.320 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.085 -13.760 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.455 -12.686 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.838 -12.000 -4.041 1.00 0.00 H new ATOM 82 N CYS A 6 2.678 -13.615 -8.523 1.00 0.00 N ATOM 83 CA CYS A 6 2.011 -14.714 -9.209 1.00 0.00 C ATOM 84 C CYS A 6 2.922 -15.936 -9.294 1.00 0.00 C ATOM 85 O CYS A 6 4.069 -15.856 -9.733 1.00 0.00 O ATOM 86 CB CYS A 6 1.586 -14.283 -10.614 1.00 0.00 C ATOM 87 SG CYS A 6 1.071 -15.659 -11.691 1.00 0.00 S ATOM 0 H CYS A 6 3.596 -13.850 -8.146 1.00 0.00 H new ATOM 0 HA CYS A 6 1.124 -14.983 -8.635 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.763 -13.573 -10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.415 -13.756 -11.087 1.00 0.00 H new ATOM 92 N PRO A 7 2.399 -17.094 -8.864 1.00 0.00 N ATOM 93 CA PRO A 7 3.147 -18.354 -8.881 1.00 0.00 C ATOM 94 C PRO A 7 3.379 -18.871 -10.297 1.00 0.00 C ATOM 95 O PRO A 7 2.626 -19.710 -10.791 1.00 0.00 O ATOM 96 CB PRO A 7 2.244 -19.314 -8.103 1.00 0.00 C ATOM 97 CG PRO A 7 0.872 -18.755 -8.261 1.00 0.00 C ATOM 98 CD PRO A 7 1.038 -17.262 -8.327 1.00 0.00 C ATOM 0 HA PRO A 7 4.143 -18.242 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.307 -20.327 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.532 -19.365 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.398 -19.135 -9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.236 -19.040 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.291 -16.803 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.934 -16.802 -7.344 1.00 0.00 H new ATOM 106 N GLU A 8 4.424 -18.365 -10.944 1.00 0.00 N ATOM 107 CA GLU A 8 4.752 -18.777 -12.304 1.00 0.00 C ATOM 108 C GLU A 8 6.029 -18.093 -12.786 1.00 0.00 C ATOM 109 O GLU A 8 6.600 -17.255 -12.088 1.00 0.00 O ATOM 110 CB GLU A 8 3.597 -18.451 -13.252 1.00 0.00 C ATOM 111 CG GLU A 8 2.794 -19.669 -13.675 1.00 0.00 C ATOM 112 CD GLU A 8 2.318 -19.585 -15.112 1.00 0.00 C ATOM 113 OE1 GLU A 8 3.171 -19.646 -16.023 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.095 -19.459 -15.326 1.00 0.00 O ATOM 0 H GLU A 8 5.057 -17.670 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 8 4.916 -19.855 -12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.931 -17.738 -12.767 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.995 -17.962 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.405 -20.563 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.932 -19.778 -13.017 1.00 0.00 H new ATOM 121 N LYS A 9 6.472 -18.458 -13.984 1.00 0.00 N ATOM 122 CA LYS A 9 7.680 -17.881 -14.562 1.00 0.00 C ATOM 123 C LYS A 9 7.336 -16.742 -15.516 1.00 0.00 C ATOM 124 O LYS A 9 8.094 -15.781 -15.649 1.00 0.00 O ATOM 125 CB LYS A 9 8.480 -18.956 -15.301 1.00 0.00 C ATOM 126 CG LYS A 9 7.654 -19.755 -16.294 1.00 0.00 C ATOM 127 CD LYS A 9 7.284 -21.121 -15.740 1.00 0.00 C ATOM 128 CE LYS A 9 8.518 -21.976 -15.496 1.00 0.00 C ATOM 129 NZ LYS A 9 9.465 -21.923 -16.645 1.00 0.00 N ATOM 0 H LYS A 9 6.012 -19.151 -14.574 1.00 0.00 H new ATOM 0 HA LYS A 9 8.286 -17.480 -13.750 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.308 -18.482 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.916 -19.639 -14.571 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.747 -19.204 -16.541 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.215 -19.877 -17.221 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.734 -21.000 -14.807 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.619 -21.630 -16.438 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.023 -21.635 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.216 -23.009 -15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.176 -22.676 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.941 -22.058 -17.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.940 -20.998 -16.661 1.00 0.00 H new ATOM 143 N ASP A 10 6.190 -16.856 -16.177 1.00 0.00 N ATOM 144 CA ASP A 10 5.745 -15.834 -17.117 1.00 0.00 C ATOM 145 C ASP A 10 4.374 -15.293 -16.723 1.00 0.00 C ATOM 146 O ASP A 10 3.444 -15.281 -17.530 1.00 0.00 O ATOM 147 CB ASP A 10 5.693 -16.403 -18.536 1.00 0.00 C ATOM 148 CG ASP A 10 5.829 -15.329 -19.597 1.00 0.00 C ATOM 149 OD1 ASP A 10 6.622 -14.386 -19.389 1.00 0.00 O ATOM 150 OD2 ASP A 10 5.142 -15.430 -20.635 1.00 0.00 O ATOM 0 H ASP A 10 5.552 -17.646 -16.079 1.00 0.00 H new ATOM 0 HA ASP A 10 6.462 -15.013 -17.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.491 -17.135 -18.660 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.751 -16.932 -18.678 1.00 0.00 H new ATOM 155 N CYS A 11 4.256 -14.846 -15.477 1.00 0.00 N ATOM 156 CA CYS A 11 2.999 -14.305 -14.974 1.00 0.00 C ATOM 157 C CYS A 11 3.245 -13.348 -13.812 1.00 0.00 C ATOM 158 O CYS A 11 4.088 -13.604 -12.953 1.00 0.00 O ATOM 159 CB CYS A 11 2.073 -15.439 -14.529 1.00 0.00 C ATOM 160 SG CYS A 11 0.647 -14.889 -13.538 1.00 0.00 S ATOM 0 H CYS A 11 5.016 -14.848 -14.797 1.00 0.00 H new ATOM 0 HA CYS A 11 2.521 -13.751 -15.782 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.708 -15.963 -15.412 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.650 -16.158 -13.948 1.00 0.00 H new ATOM 165 N GLN A 12 2.502 -12.247 -13.792 1.00 0.00 N ATOM 166 CA GLN A 12 2.640 -11.252 -12.735 1.00 0.00 C ATOM 167 C GLN A 12 1.331 -10.499 -12.521 1.00 0.00 C ATOM 168 O GLN A 12 0.877 -9.760 -13.395 1.00 0.00 O ATOM 169 CB GLN A 12 3.759 -10.266 -13.076 1.00 0.00 C ATOM 170 CG GLN A 12 3.596 -9.608 -14.437 1.00 0.00 C ATOM 171 CD GLN A 12 4.884 -8.991 -14.945 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.929 -7.806 -15.276 1.00 0.00 O ATOM 173 NE2 GLN A 12 5.940 -9.793 -15.009 1.00 0.00 N ATOM 0 H GLN A 12 1.798 -12.021 -14.495 1.00 0.00 H new ATOM 0 HA GLN A 12 2.893 -11.773 -11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.796 -9.492 -12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.715 -10.789 -13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.245 -10.349 -15.155 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.828 -8.837 -14.374 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.857 -10.769 -14.724 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.834 -9.433 -15.343 1.00 0.00 H new ATOM 182 N LYS A 13 0.727 -10.693 -11.354 1.00 0.00 N ATOM 183 CA LYS A 13 -0.531 -10.032 -11.023 1.00 0.00 C ATOM 184 C LYS A 13 -0.323 -8.976 -9.942 1.00 0.00 C ATOM 185 O LYS A 13 0.179 -9.273 -8.858 1.00 0.00 O ATOM 186 CB LYS A 13 -1.563 -11.060 -10.555 1.00 0.00 C ATOM 187 CG LYS A 13 -2.984 -10.730 -10.976 1.00 0.00 C ATOM 188 CD LYS A 13 -3.985 -11.699 -10.369 1.00 0.00 C ATOM 189 CE LYS A 13 -5.416 -11.228 -10.580 1.00 0.00 C ATOM 190 NZ LYS A 13 -5.641 -9.867 -10.018 1.00 0.00 N ATOM 0 H LYS A 13 1.088 -11.303 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.901 -9.538 -11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.294 -12.039 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.523 -11.134 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.229 -9.713 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.059 -10.761 -12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.856 -12.685 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.789 -11.805 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.643 -11.223 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.103 -11.933 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.656 -9.729 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.115 -9.769 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.309 -9.152 -10.696 1.00 0.00 H new ATOM 204 N VAL A 14 -0.713 -7.742 -10.244 1.00 0.00 N ATOM 205 CA VAL A 14 -0.572 -6.642 -9.298 1.00 0.00 C ATOM 206 C VAL A 14 -1.305 -6.941 -7.995 1.00 0.00 C ATOM 207 O VAL A 14 -2.430 -7.441 -8.003 1.00 0.00 O ATOM 208 CB VAL A 14 -1.109 -5.323 -9.885 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.416 -5.003 -11.200 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.617 -5.400 -10.072 1.00 0.00 C ATOM 0 H VAL A 14 -1.129 -7.479 -11.137 1.00 0.00 H new ATOM 0 HA VAL A 14 0.494 -6.533 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.893 -4.517 -9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.808 -4.068 -11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.656 -4.904 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.599 -5.807 -11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.981 -4.460 -10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.858 -6.216 -10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.094 -5.580 -9.109 1.00 0.00 H new ATOM 220 N HIS A 15 -0.659 -6.632 -6.874 1.00 0.00 N ATOM 221 CA HIS A 15 -1.250 -6.867 -5.562 1.00 0.00 C ATOM 222 C HIS A 15 -0.903 -5.734 -4.600 1.00 0.00 C ATOM 223 O HIS A 15 0.262 -5.363 -4.454 1.00 0.00 O ATOM 224 CB HIS A 15 -0.767 -8.201 -4.993 1.00 0.00 C ATOM 225 CG HIS A 15 -1.372 -8.541 -3.665 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.634 -8.635 -2.504 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.653 -8.807 -3.319 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.435 -8.947 -1.501 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.666 -9.056 -1.968 1.00 0.00 N ATOM 0 H HIS A 15 0.273 -6.219 -6.849 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.333 -6.902 -5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.000 -8.995 -5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.318 -8.172 -4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.506 -8.821 -3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.134 -9.089 -0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.492 -9.287 -1.415 1.00 0.00 H new ATOM 237 N THR A 16 -1.923 -5.188 -3.945 1.00 0.00 N ATOM 238 CA THR A 16 -1.727 -4.097 -2.998 1.00 0.00 C ATOM 239 C THR A 16 -1.459 -4.628 -1.595 1.00 0.00 C ATOM 240 O THR A 16 -2.321 -5.263 -0.985 1.00 0.00 O ATOM 241 CB THR A 16 -2.951 -3.162 -2.957 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.843 -3.476 -4.032 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.523 -1.706 -3.054 1.00 0.00 C ATOM 0 H THR A 16 -2.893 -5.484 -4.053 1.00 0.00 H new ATOM 0 HA THR A 16 -0.860 -3.533 -3.341 1.00 0.00 H new ATOM 0 HB THR A 16 -3.463 -3.310 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.619 -2.879 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.404 -1.065 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.868 -1.463 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.990 -1.545 -3.991 1.00 0.00 H new ATOM 251 N CYS A 17 -0.261 -4.364 -1.086 1.00 0.00 N ATOM 252 CA CYS A 17 0.121 -4.815 0.247 1.00 0.00 C ATOM 253 C CYS A 17 -0.804 -4.224 1.307 1.00 0.00 C ATOM 254 O CYS A 17 -1.422 -3.181 1.094 1.00 0.00 O ATOM 255 CB CYS A 17 1.570 -4.425 0.544 1.00 0.00 C ATOM 256 SG CYS A 17 2.789 -5.710 0.114 1.00 0.00 S ATOM 0 H CYS A 17 0.463 -3.839 -1.577 1.00 0.00 H new ATOM 0 HA CYS A 17 0.031 -5.901 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.810 -3.514 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.662 -4.192 1.605 1.00 0.00 H new ATOM 261 N ARG A 18 -0.893 -4.897 2.449 1.00 0.00 N ATOM 262 CA ARG A 18 -1.742 -4.440 3.542 1.00 0.00 C ATOM 263 C ARG A 18 -1.037 -3.365 4.365 1.00 0.00 C ATOM 264 O ARG A 18 0.044 -2.903 4.005 1.00 0.00 O ATOM 265 CB ARG A 18 -2.129 -5.614 4.442 1.00 0.00 C ATOM 266 CG ARG A 18 -2.858 -6.729 3.709 1.00 0.00 C ATOM 267 CD ARG A 18 -4.299 -6.347 3.407 1.00 0.00 C ATOM 268 NE ARG A 18 -5.174 -7.515 3.348 1.00 0.00 N ATOM 269 CZ ARG A 18 -6.494 -7.451 3.474 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.089 -6.281 3.666 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.223 -8.558 3.409 1.00 0.00 N ATOM 0 H ARG A 18 -0.387 -5.761 2.642 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.646 -4.009 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.228 -6.021 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.762 -5.248 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.338 -6.955 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.840 -7.636 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.661 -5.662 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.341 -5.814 2.457 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.747 -8.430 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.532 -5.428 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.103 -6.234 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.769 -9.460 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.237 -8.507 3.506 1.00 0.00 H new ATOM 285 N ASN A 19 -1.660 -2.972 5.472 1.00 0.00 N ATOM 286 CA ASN A 19 -1.093 -1.950 6.345 1.00 0.00 C ATOM 287 C ASN A 19 -0.065 -2.557 7.295 1.00 0.00 C ATOM 288 O ASN A 19 0.912 -1.907 7.666 1.00 0.00 O ATOM 289 CB ASN A 19 -2.200 -1.263 7.146 1.00 0.00 C ATOM 290 CG ASN A 19 -1.903 0.202 7.403 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.940 0.663 8.544 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.608 0.941 6.340 1.00 0.00 N ATOM 0 H ASN A 19 -2.556 -3.345 5.785 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.593 -1.210 5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.143 -1.351 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.329 -1.777 8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.400 1.933 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.589 0.516 5.413 1.00 0.00 H new ATOM 299 N GLU A 20 -0.293 -3.807 7.685 1.00 0.00 N ATOM 300 CA GLU A 20 0.614 -4.501 8.592 1.00 0.00 C ATOM 301 C GLU A 20 2.051 -4.430 8.085 1.00 0.00 C ATOM 302 O GLU A 20 2.941 -3.939 8.778 1.00 0.00 O ATOM 303 CB GLU A 20 0.190 -5.963 8.754 1.00 0.00 C ATOM 304 CG GLU A 20 -1.209 -6.132 9.321 1.00 0.00 C ATOM 305 CD GLU A 20 -1.472 -5.221 10.505 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.714 -5.298 11.494 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.437 -4.430 10.441 1.00 0.00 O ATOM 0 H GLU A 20 -1.097 -4.360 7.388 1.00 0.00 H new ATOM 0 HA GLU A 20 0.565 -4.006 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.242 -6.457 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.901 -6.468 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.941 -5.927 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.351 -7.169 9.626 1.00 0.00 H new ATOM 314 N GLU A 21 2.269 -4.925 6.870 1.00 0.00 N ATOM 315 CA GLU A 21 3.598 -4.919 6.270 1.00 0.00 C ATOM 316 C GLU A 21 3.897 -3.569 5.624 1.00 0.00 C ATOM 317 O GLU A 21 3.152 -2.605 5.799 1.00 0.00 O ATOM 318 CB GLU A 21 3.717 -6.033 5.229 1.00 0.00 C ATOM 319 CG GLU A 21 3.332 -7.404 5.758 1.00 0.00 C ATOM 320 CD GLU A 21 3.875 -7.667 7.149 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.039 -7.297 7.410 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.137 -8.242 7.976 1.00 0.00 O ATOM 0 H GLU A 21 1.543 -5.335 6.283 1.00 0.00 H new ATOM 0 HA GLU A 21 4.327 -5.093 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.083 -5.791 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.743 -6.069 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.246 -7.491 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.703 -8.169 5.077 1.00 0.00 H new ATOM 329 N LYS A 22 4.993 -3.508 4.875 1.00 0.00 N ATOM 330 CA LYS A 22 5.392 -2.279 4.201 1.00 0.00 C ATOM 331 C LYS A 22 5.907 -2.572 2.795 1.00 0.00 C ATOM 332 O LYS A 22 5.272 -2.211 1.804 1.00 0.00 O ATOM 333 CB LYS A 22 6.471 -1.556 5.010 1.00 0.00 C ATOM 334 CG LYS A 22 5.998 -1.094 6.378 1.00 0.00 C ATOM 335 CD LYS A 22 5.930 0.422 6.462 1.00 0.00 C ATOM 336 CE LYS A 22 5.006 0.877 7.581 1.00 0.00 C ATOM 337 NZ LYS A 22 5.761 1.220 8.818 1.00 0.00 N ATOM 0 H LYS A 22 5.621 -4.297 4.720 1.00 0.00 H new ATOM 0 HA LYS A 22 4.515 -1.637 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.326 -2.221 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.820 -0.692 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.014 -1.515 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.674 -1.472 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.930 0.823 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.579 0.825 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.436 1.745 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.287 0.088 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.096 1.525 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.285 0.384 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.430 1.990 8.614 1.00 0.00 H new ATOM 351 N ILE A 23 7.060 -3.228 2.717 1.00 0.00 N ATOM 352 CA ILE A 23 7.657 -3.571 1.433 1.00 0.00 C ATOM 353 C ILE A 23 7.149 -4.919 0.933 1.00 0.00 C ATOM 354 O ILE A 23 6.436 -5.629 1.643 1.00 0.00 O ATOM 355 CB ILE A 23 9.194 -3.615 1.521 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.643 -4.778 2.408 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.732 -2.296 2.055 1.00 0.00 C ATOM 358 CD1 ILE A 23 11.145 -4.947 2.468 1.00 0.00 C ATOM 0 H ILE A 23 7.599 -3.532 3.528 1.00 0.00 H new ATOM 0 HA ILE A 23 7.363 -2.791 0.730 1.00 0.00 H new ATOM 0 HB ILE A 23 9.596 -3.770 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.262 -4.622 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.196 -5.701 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.820 -2.343 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.438 -1.486 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.325 -2.113 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.391 -5.790 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.530 -5.134 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.598 -4.039 2.867 1.00 0.00 H new ATOM 370 N CYS A 24 7.522 -5.268 -0.294 1.00 0.00 N ATOM 371 CA CYS A 24 7.106 -6.532 -0.890 1.00 0.00 C ATOM 372 C CYS A 24 8.317 -7.390 -1.244 1.00 0.00 C ATOM 373 O CYS A 24 9.299 -6.899 -1.800 1.00 0.00 O ATOM 374 CB CYS A 24 6.264 -6.276 -2.142 1.00 0.00 C ATOM 375 SG CYS A 24 4.638 -5.529 -1.804 1.00 0.00 S ATOM 0 H CYS A 24 8.112 -4.693 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 24 6.503 -7.070 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.820 -5.622 -2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.116 -7.220 -2.667 1.00 0.00 H new ATOM 380 N VAL A 25 8.238 -8.677 -0.919 1.00 0.00 N ATOM 381 CA VAL A 25 9.326 -9.605 -1.203 1.00 0.00 C ATOM 382 C VAL A 25 8.854 -10.748 -2.095 1.00 0.00 C ATOM 383 O VAL A 25 7.735 -11.241 -1.952 1.00 0.00 O ATOM 384 CB VAL A 25 9.918 -10.191 0.092 1.00 0.00 C ATOM 385 CG1 VAL A 25 11.264 -10.843 -0.182 1.00 0.00 C ATOM 386 CG2 VAL A 25 10.046 -9.110 1.155 1.00 0.00 C ATOM 0 H VAL A 25 7.432 -9.100 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 25 10.098 -9.037 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 25 9.240 -10.958 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.666 -11.251 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.138 -11.647 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.954 -10.099 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.466 -9.541 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.702 -8.319 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.062 -8.695 1.372 1.00 0.00 H new ATOM 396 N LYS A 26 9.715 -11.166 -3.017 1.00 0.00 N ATOM 397 CA LYS A 26 9.389 -12.253 -3.932 1.00 0.00 C ATOM 398 C LYS A 26 10.507 -13.290 -3.966 1.00 0.00 C ATOM 399 O LYS A 26 11.636 -12.987 -4.352 1.00 0.00 O ATOM 400 CB LYS A 26 9.144 -11.705 -5.340 1.00 0.00 C ATOM 401 CG LYS A 26 8.922 -12.786 -6.384 1.00 0.00 C ATOM 402 CD LYS A 26 7.770 -12.438 -7.312 1.00 0.00 C ATOM 403 CE LYS A 26 8.249 -12.227 -8.740 1.00 0.00 C ATOM 404 NZ LYS A 26 7.113 -12.127 -9.697 1.00 0.00 N ATOM 0 H LYS A 26 10.645 -10.768 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 26 8.480 -12.736 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.274 -11.048 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.997 -11.095 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.832 -12.921 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.717 -13.735 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.029 -13.237 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.275 -11.535 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.848 -11.318 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.898 -13.053 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.394 -12.532 -10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.297 -12.651 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.854 -11.128 -9.825 1.00 0.00 H new ATOM 418 N ARG A 27 10.184 -14.514 -3.562 1.00 0.00 N ATOM 419 CA ARG A 27 11.162 -15.596 -3.547 1.00 0.00 C ATOM 420 C ARG A 27 10.652 -16.801 -4.331 1.00 0.00 C ATOM 421 O ARG A 27 9.469 -17.139 -4.270 1.00 0.00 O ATOM 422 CB ARG A 27 11.477 -16.007 -2.107 1.00 0.00 C ATOM 423 CG ARG A 27 11.611 -14.831 -1.153 1.00 0.00 C ATOM 424 CD ARG A 27 12.263 -15.248 0.156 1.00 0.00 C ATOM 425 NE ARG A 27 11.292 -15.794 1.101 1.00 0.00 N ATOM 426 CZ ARG A 27 11.627 -16.338 2.266 1.00 0.00 C ATOM 427 NH1 ARG A 27 12.900 -16.407 2.627 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.686 -16.813 3.072 1.00 0.00 N ATOM 0 H ARG A 27 9.254 -14.782 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 27 12.074 -15.235 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.689 -16.668 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.404 -16.580 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.204 -14.046 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.626 -14.410 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.033 -15.993 -0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.760 -14.388 0.604 1.00 0.00 H new ATOM 0 HE ARG A 27 10.303 -15.756 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.626 -16.042 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.154 -16.825 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.705 -16.761 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.944 -17.231 3.966 1.00 0.00 H new ATOM 442 N PHE A 28 11.551 -17.445 -5.068 1.00 0.00 N ATOM 443 CA PHE A 28 11.192 -18.612 -5.866 1.00 0.00 C ATOM 444 C PHE A 28 12.354 -19.597 -5.943 1.00 0.00 C ATOM 445 O PHE A 28 13.514 -19.219 -5.775 1.00 0.00 O ATOM 446 CB PHE A 28 10.776 -18.184 -7.275 1.00 0.00 C ATOM 447 CG PHE A 28 11.900 -17.595 -8.079 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.755 -18.412 -8.801 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.103 -16.225 -8.111 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.790 -17.874 -9.542 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.136 -15.681 -8.850 1.00 0.00 C ATOM 452 CZ PHE A 28 13.981 -16.506 -9.566 1.00 0.00 C ATOM 0 H PHE A 28 12.534 -17.179 -5.129 1.00 0.00 H new ATOM 0 HA PHE A 28 10.351 -19.108 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.375 -19.048 -7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.971 -17.453 -7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.611 -19.482 -8.784 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.446 -15.575 -7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.448 -18.522 -10.101 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.283 -14.611 -8.868 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.789 -16.083 -10.143 1.00 0.00 H new ATOM 462 N TYR A 29 12.035 -20.860 -6.199 1.00 0.00 N ATOM 463 CA TYR A 29 13.052 -21.901 -6.296 1.00 0.00 C ATOM 464 C TYR A 29 13.060 -22.526 -7.687 1.00 0.00 C ATOM 465 O TYR A 29 12.020 -22.939 -8.201 1.00 0.00 O ATOM 466 CB TYR A 29 12.808 -22.981 -5.240 1.00 0.00 C ATOM 467 CG TYR A 29 14.076 -23.632 -4.736 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.769 -23.102 -3.654 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.582 -24.775 -5.341 1.00 0.00 C ATOM 470 CE1 TYR A 29 15.928 -23.692 -3.189 1.00 0.00 C ATOM 471 CE2 TYR A 29 15.740 -25.373 -4.882 1.00 0.00 C ATOM 472 CZ TYR A 29 16.410 -24.828 -3.807 1.00 0.00 C ATOM 473 OH TYR A 29 17.564 -25.420 -3.348 1.00 0.00 O ATOM 0 H TYR A 29 11.080 -21.189 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 29 14.025 -21.442 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.276 -22.540 -4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.158 -23.748 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.395 -22.213 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.062 -25.204 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.454 -23.267 -2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.119 -26.263 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 29 17.765 -26.210 -3.892 1.00 0.00 H new ATOM 483 N ASP A 30 14.242 -22.593 -8.291 1.00 0.00 N ATOM 484 CA ASP A 30 14.388 -23.170 -9.622 1.00 0.00 C ATOM 485 C ASP A 30 15.584 -24.115 -9.677 1.00 0.00 C ATOM 486 O ASP A 30 16.735 -23.681 -9.641 1.00 0.00 O ATOM 487 CB ASP A 30 14.550 -22.063 -10.666 1.00 0.00 C ATOM 488 CG ASP A 30 15.749 -21.177 -10.389 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.739 -20.471 -9.359 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.696 -21.189 -11.202 1.00 0.00 O ATOM 0 H ASP A 30 15.112 -22.255 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 30 13.486 -23.740 -9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.654 -22.512 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.647 -21.452 -10.687 1.00 0.00 H new ATOM 495 N LYS A 31 15.303 -25.411 -9.762 1.00 0.00 N ATOM 496 CA LYS A 31 16.355 -26.420 -9.821 1.00 0.00 C ATOM 497 C LYS A 31 15.858 -27.683 -10.517 1.00 0.00 C ATOM 498 O LYS A 31 16.418 -28.763 -10.336 1.00 0.00 O ATOM 499 CB LYS A 31 16.843 -26.760 -8.411 1.00 0.00 C ATOM 500 CG LYS A 31 18.294 -27.207 -8.361 1.00 0.00 C ATOM 501 CD LYS A 31 18.712 -27.589 -6.951 1.00 0.00 C ATOM 502 CE LYS A 31 20.064 -28.286 -6.940 1.00 0.00 C ATOM 503 NZ LYS A 31 20.184 -29.244 -5.807 1.00 0.00 N ATOM 0 H LYS A 31 14.356 -25.788 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 31 17.185 -26.011 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.719 -25.886 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.214 -27.549 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.436 -28.058 -9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.935 -26.405 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.757 -26.695 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.960 -28.245 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.207 -28.817 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.856 -27.541 -6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.119 -29.698 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.073 -28.734 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.444 -29.970 -5.886 1.00 0.00 H new ATOM 517 N ASN A 32 14.804 -27.539 -11.314 1.00 0.00 N ATOM 518 CA ASN A 32 14.233 -28.669 -12.038 1.00 0.00 C ATOM 519 C ASN A 32 13.018 -28.235 -12.852 1.00 0.00 C ATOM 520 O ASN A 32 12.494 -27.137 -12.666 1.00 0.00 O ATOM 521 CB ASN A 32 13.838 -29.779 -11.062 1.00 0.00 C ATOM 522 CG ASN A 32 14.768 -30.974 -11.139 1.00 0.00 C ATOM 523 OD1 ASN A 32 15.185 -31.383 -12.223 1.00 0.00 O ATOM 524 ND2 ASN A 32 15.098 -31.542 -9.984 1.00 0.00 N ATOM 0 H ASN A 32 14.328 -26.651 -11.475 1.00 0.00 H new ATOM 0 HA ASN A 32 14.990 -29.050 -12.724 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.842 -29.384 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.819 -30.101 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.720 -32.350 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.729 -31.170 -9.109 1.00 0.00 H new ATOM 531 N GLN A 33 12.575 -29.106 -13.754 1.00 0.00 N ATOM 532 CA GLN A 33 11.422 -28.812 -14.596 1.00 0.00 C ATOM 533 C GLN A 33 10.212 -28.431 -13.749 1.00 0.00 C ATOM 534 O GLN A 33 9.618 -27.369 -13.938 1.00 0.00 O ATOM 535 CB GLN A 33 11.085 -30.019 -15.474 1.00 0.00 C ATOM 536 CG GLN A 33 11.092 -29.709 -16.962 1.00 0.00 C ATOM 537 CD GLN A 33 10.238 -30.672 -17.763 1.00 0.00 C ATOM 538 OE1 GLN A 33 9.110 -30.354 -18.139 1.00 0.00 O ATOM 539 NE2 GLN A 33 10.774 -31.858 -18.028 1.00 0.00 N ATOM 0 H GLN A 33 12.997 -30.020 -13.920 1.00 0.00 H new ATOM 0 HA GLN A 33 11.676 -27.966 -15.235 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.802 -30.815 -15.274 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.102 -30.398 -15.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.731 -28.692 -17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.117 -29.744 -17.332 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.713 -32.079 -17.696 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.247 -32.548 -18.563 1.00 0.00 H new ATOM 548 N LEU A 34 9.852 -29.304 -12.815 1.00 0.00 N ATOM 549 CA LEU A 34 8.712 -29.060 -11.938 1.00 0.00 C ATOM 550 C LEU A 34 9.162 -28.434 -10.622 1.00 0.00 C ATOM 551 O LEU A 34 8.351 -28.194 -9.728 1.00 0.00 O ATOM 552 CB LEU A 34 7.963 -30.366 -11.666 1.00 0.00 C ATOM 553 CG LEU A 34 7.649 -31.227 -12.889 1.00 0.00 C ATOM 554 CD1 LEU A 34 7.258 -30.353 -14.071 1.00 0.00 C ATOM 555 CD2 LEU A 34 8.841 -32.104 -13.244 1.00 0.00 C ATOM 0 H LEU A 34 10.333 -30.187 -12.645 1.00 0.00 H new ATOM 0 HA LEU A 34 8.041 -28.363 -12.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.553 -30.961 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.025 -30.126 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 34 6.806 -31.874 -12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.038 -30.983 -14.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.375 -29.768 -13.814 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.081 -29.680 -14.314 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.599 -32.710 -14.117 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.703 -31.474 -13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.076 -32.756 -12.403 1.00 0.00 H new ATOM 567 N GLY A 35 10.460 -28.171 -10.510 1.00 0.00 N ATOM 568 CA GLY A 35 10.995 -27.574 -9.301 1.00 0.00 C ATOM 569 C GLY A 35 10.800 -26.071 -9.261 1.00 0.00 C ATOM 570 O GLY A 35 11.222 -25.409 -8.312 1.00 0.00 O ATOM 0 H GLY A 35 11.151 -28.361 -11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.512 -28.023 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.058 -27.801 -9.227 1.00 0.00 H new ATOM 574 N TRP A 36 10.162 -25.532 -10.293 1.00 0.00 N ATOM 575 CA TRP A 36 9.914 -24.097 -10.372 1.00 0.00 C ATOM 576 C TRP A 36 8.736 -23.698 -9.490 1.00 0.00 C ATOM 577 O TRP A 36 7.584 -23.999 -9.803 1.00 0.00 O ATOM 578 CB TRP A 36 9.644 -23.685 -11.820 1.00 0.00 C ATOM 579 CG TRP A 36 9.697 -22.202 -12.036 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.671 -21.315 -11.879 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.833 -21.436 -12.449 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.101 -20.042 -12.170 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.424 -20.090 -12.521 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.157 -21.755 -12.762 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.292 -19.067 -12.895 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.017 -20.739 -13.134 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.582 -19.408 -13.197 1.00 0.00 C ATOM 0 H TRP A 36 9.807 -26.066 -11.086 1.00 0.00 H new ATOM 0 HA TRP A 36 10.804 -23.580 -10.013 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.376 -24.166 -12.469 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.662 -24.053 -12.118 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.669 -21.575 -11.571 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.528 -19.199 -12.131 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.502 -22.777 -12.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.959 -18.041 -12.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.042 -20.975 -13.380 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.279 -18.637 -13.490 1.00 0.00 H new ATOM 598 N ARG A 37 9.032 -23.020 -8.386 1.00 0.00 N ATOM 599 CA ARG A 37 7.997 -22.582 -7.458 1.00 0.00 C ATOM 600 C ARG A 37 8.248 -21.147 -7.002 1.00 0.00 C ATOM 601 O ARG A 37 9.317 -20.828 -6.483 1.00 0.00 O ATOM 602 CB ARG A 37 7.943 -23.511 -6.244 1.00 0.00 C ATOM 603 CG ARG A 37 9.309 -23.828 -5.658 1.00 0.00 C ATOM 604 CD ARG A 37 9.204 -24.267 -4.206 1.00 0.00 C ATOM 605 NE ARG A 37 8.961 -23.140 -3.310 1.00 0.00 N ATOM 606 CZ ARG A 37 8.844 -23.260 -1.993 1.00 0.00 C ATOM 607 NH1 ARG A 37 8.948 -24.452 -1.421 1.00 0.00 N ATOM 608 NH2 ARG A 37 8.622 -22.187 -1.244 1.00 0.00 N ATOM 0 H ARG A 37 9.980 -22.762 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 37 7.040 -22.619 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.324 -23.052 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.455 -24.442 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.784 -24.615 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.949 -22.949 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.396 -24.992 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.124 -24.772 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 37 8.876 -22.209 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.118 -25.279 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.858 -24.542 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.541 -21.268 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.532 -22.281 -0.232 1.00 0.00 H new ATOM 622 N ALA A 38 7.254 -20.287 -7.201 1.00 0.00 N ATOM 623 CA ALA A 38 7.366 -18.887 -6.809 1.00 0.00 C ATOM 624 C ALA A 38 6.395 -18.553 -5.682 1.00 0.00 C ATOM 625 O ALA A 38 5.349 -19.186 -5.545 1.00 0.00 O ATOM 626 CB ALA A 38 7.119 -17.982 -8.007 1.00 0.00 C ATOM 0 H ALA A 38 6.363 -20.535 -7.631 1.00 0.00 H new ATOM 0 HA ALA A 38 8.379 -18.718 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.206 -16.940 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.856 -18.194 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.118 -18.163 -8.399 1.00 0.00 H new ATOM 632 N GLN A 39 6.749 -17.555 -4.878 1.00 0.00 N ATOM 633 CA GLN A 39 5.908 -17.139 -3.762 1.00 0.00 C ATOM 634 C GLN A 39 6.233 -15.711 -3.339 1.00 0.00 C ATOM 635 O GLN A 39 7.389 -15.379 -3.074 1.00 0.00 O ATOM 636 CB GLN A 39 6.090 -18.089 -2.577 1.00 0.00 C ATOM 637 CG GLN A 39 4.895 -18.125 -1.638 1.00 0.00 C ATOM 638 CD GLN A 39 5.089 -19.089 -0.484 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.725 -20.133 -0.632 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.542 -18.742 0.675 1.00 0.00 N ATOM 0 H GLN A 39 7.612 -17.020 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 39 4.869 -17.174 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.276 -19.095 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.975 -17.790 -2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.717 -17.124 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.005 -18.410 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.023 -17.867 0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.641 -19.350 1.488 1.00 0.00 H new ATOM 649 N ARG A 40 5.207 -14.868 -3.278 1.00 0.00 N ATOM 650 CA ARG A 40 5.384 -13.475 -2.888 1.00 0.00 C ATOM 651 C ARG A 40 4.729 -13.200 -1.538 1.00 0.00 C ATOM 652 O ARG A 40 3.863 -13.953 -1.092 1.00 0.00 O ATOM 653 CB ARG A 40 4.795 -12.547 -3.951 1.00 0.00 C ATOM 654 CG ARG A 40 5.839 -11.927 -4.865 1.00 0.00 C ATOM 655 CD ARG A 40 5.797 -10.408 -4.810 1.00 0.00 C ATOM 656 NE ARG A 40 5.787 -9.910 -3.437 1.00 0.00 N ATOM 657 CZ ARG A 40 4.708 -9.414 -2.843 1.00 0.00 C ATOM 658 NH1 ARG A 40 3.557 -9.351 -3.497 1.00 0.00 N ATOM 659 NH2 ARG A 40 4.778 -8.981 -1.590 1.00 0.00 N ATOM 0 H ARG A 40 4.244 -15.126 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 40 6.453 -13.282 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.082 -13.108 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.238 -11.751 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.830 -12.275 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.671 -12.260 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.661 -10.002 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.909 -10.051 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 40 6.657 -9.945 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.498 -9.684 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.730 -8.969 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.661 -9.029 -1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.948 -8.600 -1.135 1.00 0.00 H new ATOM 673 N GLY A 41 5.148 -12.117 -0.891 1.00 0.00 N ATOM 674 CA GLY A 41 4.591 -11.762 0.401 1.00 0.00 C ATOM 675 C GLY A 41 5.141 -10.452 0.930 1.00 0.00 C ATOM 676 O GLY A 41 6.328 -10.163 0.780 1.00 0.00 O ATOM 0 H GLY A 41 5.864 -11.479 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.507 -11.690 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.804 -12.557 1.116 1.00 0.00 H new ATOM 680 N CYS A 42 4.275 -9.656 1.549 1.00 0.00 N ATOM 681 CA CYS A 42 4.679 -8.368 2.100 1.00 0.00 C ATOM 682 C CYS A 42 5.508 -8.555 3.367 1.00 0.00 C ATOM 683 O CYS A 42 5.428 -9.591 4.027 1.00 0.00 O ATOM 684 CB CYS A 42 3.449 -7.511 2.403 1.00 0.00 C ATOM 685 SG CYS A 42 2.262 -7.400 1.025 1.00 0.00 S ATOM 0 H CYS A 42 3.289 -9.881 1.681 1.00 0.00 H new ATOM 0 HA CYS A 42 5.293 -7.859 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.940 -7.921 3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.776 -6.506 2.668 1.00 0.00 H new ATOM 690 N ALA A 43 6.303 -7.543 3.702 1.00 0.00 N ATOM 691 CA ALA A 43 7.145 -7.594 4.891 1.00 0.00 C ATOM 692 C ALA A 43 7.646 -6.205 5.268 1.00 0.00 C ATOM 693 O ALA A 43 7.401 -5.231 4.556 1.00 0.00 O ATOM 694 CB ALA A 43 8.317 -8.538 4.667 1.00 0.00 C ATOM 0 H ALA A 43 6.381 -6.678 3.167 1.00 0.00 H new ATOM 0 HA ALA A 43 6.542 -7.971 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.938 -8.567 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.942 -9.539 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.912 -8.186 3.824 1.00 0.00 H new ATOM 700 N VAL A 44 8.349 -6.119 6.393 1.00 0.00 N ATOM 701 CA VAL A 44 8.886 -4.849 6.865 1.00 0.00 C ATOM 702 C VAL A 44 10.410 -4.855 6.849 1.00 0.00 C ATOM 703 O VAL A 44 11.051 -3.926 7.339 1.00 0.00 O ATOM 704 CB VAL A 44 8.400 -4.529 8.291 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.966 -4.024 8.267 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.527 -5.755 9.184 1.00 0.00 C ATOM 0 H VAL A 44 8.560 -6.915 6.995 1.00 0.00 H new ATOM 0 HA VAL A 44 8.522 -4.080 6.184 1.00 0.00 H new ATOM 0 HB VAL A 44 9.030 -3.740 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.641 -3.803 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.909 -3.118 7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.318 -4.788 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.179 -5.511 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.922 -6.566 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.570 -6.067 9.227 1.00 0.00 H new ATOM 716 N SER A 45 10.986 -5.910 6.281 1.00 0.00 N ATOM 717 CA SER A 45 12.436 -6.041 6.203 1.00 0.00 C ATOM 718 C SER A 45 12.848 -6.772 4.929 1.00 0.00 C ATOM 719 O SER A 45 12.041 -7.463 4.307 1.00 0.00 O ATOM 720 CB SER A 45 12.968 -6.787 7.428 1.00 0.00 C ATOM 721 OG SER A 45 12.851 -5.995 8.598 1.00 0.00 O ATOM 0 H SER A 45 10.470 -6.687 5.868 1.00 0.00 H new ATOM 0 HA SER A 45 12.866 -5.040 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.416 -7.718 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.013 -7.055 7.269 1.00 0.00 H new ATOM 0 HG SER A 45 13.196 -6.495 9.367 1.00 0.00 H new ATOM 727 N CYS A 46 14.111 -6.615 4.547 1.00 0.00 N ATOM 728 CA CYS A 46 14.634 -7.259 3.348 1.00 0.00 C ATOM 729 C CYS A 46 15.685 -8.305 3.707 1.00 0.00 C ATOM 730 O CYS A 46 16.889 -8.082 3.575 1.00 0.00 O ATOM 731 CB CYS A 46 15.237 -6.216 2.405 1.00 0.00 C ATOM 732 SG CYS A 46 14.144 -5.739 1.028 1.00 0.00 S ATOM 0 H CYS A 46 14.792 -6.047 5.051 1.00 0.00 H new ATOM 0 HA CYS A 46 13.807 -7.759 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.490 -5.325 2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.169 -6.607 1.997 1.00 0.00 H new ATOM 737 N PRO A 47 15.222 -9.475 4.171 1.00 0.00 N ATOM 738 CA PRO A 47 16.105 -10.580 4.557 1.00 0.00 C ATOM 739 C PRO A 47 16.795 -11.217 3.356 1.00 0.00 C ATOM 740 O PRO A 47 16.759 -10.681 2.248 1.00 0.00 O ATOM 741 CB PRO A 47 15.154 -11.579 5.220 1.00 0.00 C ATOM 742 CG PRO A 47 13.822 -11.290 4.620 1.00 0.00 C ATOM 743 CD PRO A 47 13.800 -9.810 4.353 1.00 0.00 C ATOM 0 HA PRO A 47 16.915 -10.247 5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.461 -12.607 5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.137 -11.451 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.678 -11.855 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.018 -11.576 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.214 -9.570 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.360 -9.258 5.184 1.00 0.00 H new ATOM 751 N LYS A 48 17.423 -12.366 3.582 1.00 0.00 N ATOM 752 CA LYS A 48 18.121 -13.079 2.518 1.00 0.00 C ATOM 753 C LYS A 48 17.745 -14.558 2.517 1.00 0.00 C ATOM 754 O LYS A 48 16.885 -14.990 3.284 1.00 0.00 O ATOM 755 CB LYS A 48 19.635 -12.927 2.682 1.00 0.00 C ATOM 756 CG LYS A 48 20.124 -13.199 4.093 1.00 0.00 C ATOM 757 CD LYS A 48 20.165 -14.688 4.392 1.00 0.00 C ATOM 758 CE LYS A 48 21.001 -14.986 5.627 1.00 0.00 C ATOM 759 NZ LYS A 48 22.460 -14.941 5.334 1.00 0.00 N ATOM 0 H LYS A 48 17.463 -12.824 4.493 1.00 0.00 H new ATOM 0 HA LYS A 48 17.820 -12.645 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.137 -13.608 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.923 -11.916 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.119 -12.774 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.469 -12.701 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.151 -15.058 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.577 -15.221 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.765 -14.263 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.739 -15.971 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.995 -15.149 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.690 -15.648 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.716 -13.994 4.989 1.00 0.00 H new ATOM 773 N ALA A 49 18.395 -15.328 1.651 1.00 0.00 N ATOM 774 CA ALA A 49 18.132 -16.758 1.554 1.00 0.00 C ATOM 775 C ALA A 49 19.358 -17.509 1.045 1.00 0.00 C ATOM 776 O ALA A 49 20.425 -16.924 0.862 1.00 0.00 O ATOM 777 CB ALA A 49 16.939 -17.014 0.644 1.00 0.00 C ATOM 0 H ALA A 49 19.108 -14.985 1.007 1.00 0.00 H new ATOM 0 HA ALA A 49 17.900 -17.128 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.753 -18.086 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.058 -16.517 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.150 -16.623 -0.351 1.00 0.00 H new ATOM 783 N LYS A 50 19.198 -18.809 0.820 1.00 0.00 N ATOM 784 CA LYS A 50 20.292 -19.641 0.333 1.00 0.00 C ATOM 785 C LYS A 50 20.627 -19.305 -1.117 1.00 0.00 C ATOM 786 O LYS A 50 19.797 -18.792 -1.868 1.00 0.00 O ATOM 787 CB LYS A 50 19.925 -21.122 0.452 1.00 0.00 C ATOM 788 CG LYS A 50 18.583 -21.469 -0.169 1.00 0.00 C ATOM 789 CD LYS A 50 18.316 -22.964 -0.122 1.00 0.00 C ATOM 790 CE LYS A 50 18.300 -23.482 1.307 1.00 0.00 C ATOM 791 NZ LYS A 50 19.634 -23.997 1.725 1.00 0.00 N ATOM 0 H LYS A 50 18.321 -19.309 0.967 1.00 0.00 H new ATOM 0 HA LYS A 50 21.170 -19.439 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.702 -21.719 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.911 -21.400 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.789 -20.940 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.561 -21.127 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.360 -23.179 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.082 -23.490 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.992 -22.682 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.559 -24.277 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.598 -25.034 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.347 -23.727 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.889 -23.591 2.648 1.00 0.00 H new ATOM 805 N PRO A 51 21.871 -19.601 -1.522 1.00 0.00 N ATOM 806 CA PRO A 51 22.343 -19.340 -2.885 1.00 0.00 C ATOM 807 C PRO A 51 21.686 -20.256 -3.911 1.00 0.00 C ATOM 808 O PRO A 51 21.850 -20.071 -5.116 1.00 0.00 O ATOM 809 CB PRO A 51 23.845 -19.622 -2.800 1.00 0.00 C ATOM 810 CG PRO A 51 23.988 -20.577 -1.666 1.00 0.00 C ATOM 811 CD PRO A 51 22.912 -20.213 -0.680 1.00 0.00 C ATOM 0 HA PRO A 51 22.103 -18.329 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.220 -20.052 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.410 -18.707 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.874 -21.606 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.976 -20.499 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.538 -21.090 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.278 -19.518 0.076 1.00 0.00 H new ATOM 819 N ASN A 52 20.942 -21.245 -3.425 1.00 0.00 N ATOM 820 CA ASN A 52 20.261 -22.190 -4.301 1.00 0.00 C ATOM 821 C ASN A 52 18.926 -21.625 -4.778 1.00 0.00 C ATOM 822 O ASN A 52 18.473 -21.927 -5.882 1.00 0.00 O ATOM 823 CB ASN A 52 20.035 -23.518 -3.575 1.00 0.00 C ATOM 824 CG ASN A 52 21.293 -24.362 -3.508 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.259 -25.568 -3.755 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.412 -23.730 -3.173 1.00 0.00 N ATOM 0 H ASN A 52 20.796 -21.412 -2.429 1.00 0.00 H new ATOM 0 HA ASN A 52 20.894 -22.362 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.679 -23.320 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.251 -24.079 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.290 -24.245 -3.112 1.00 0.00 H new ATOM 0 HD22 ASN A 52 22.393 -22.729 -2.977 1.00 0.00 H new ATOM 833 N GLU A 53 18.304 -20.803 -3.939 1.00 0.00 N ATOM 834 CA GLU A 53 17.021 -20.196 -4.276 1.00 0.00 C ATOM 835 C GLU A 53 17.207 -18.753 -4.735 1.00 0.00 C ATOM 836 O GLU A 53 18.332 -18.273 -4.875 1.00 0.00 O ATOM 837 CB GLU A 53 16.078 -20.243 -3.072 1.00 0.00 C ATOM 838 CG GLU A 53 16.351 -19.159 -2.043 1.00 0.00 C ATOM 839 CD GLU A 53 15.411 -19.233 -0.855 1.00 0.00 C ATOM 840 OE1 GLU A 53 15.459 -20.244 -0.123 1.00 0.00 O ATOM 841 OE2 GLU A 53 14.629 -18.280 -0.657 1.00 0.00 O ATOM 0 H GLU A 53 18.667 -20.542 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 53 16.581 -20.766 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.050 -20.149 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.163 -21.218 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.380 -19.246 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.256 -18.182 -2.516 1.00 0.00 H new ATOM 848 N THR A 54 16.093 -18.065 -4.970 1.00 0.00 N ATOM 849 CA THR A 54 16.131 -16.678 -5.415 1.00 0.00 C ATOM 850 C THR A 54 15.200 -15.807 -4.579 1.00 0.00 C ATOM 851 O THR A 54 14.098 -16.223 -4.223 1.00 0.00 O ATOM 852 CB THR A 54 15.738 -16.553 -6.899 1.00 0.00 C ATOM 853 OG1 THR A 54 16.341 -17.608 -7.656 1.00 0.00 O ATOM 854 CG2 THR A 54 16.171 -15.207 -7.462 1.00 0.00 C ATOM 0 H THR A 54 15.154 -18.447 -4.859 1.00 0.00 H new ATOM 0 HA THR A 54 17.157 -16.333 -5.289 1.00 0.00 H new ATOM 0 HB THR A 54 14.653 -16.628 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.750 -17.859 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.883 -15.142 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.688 -14.406 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.253 -15.108 -7.376 1.00 0.00 H new ATOM 862 N VAL A 55 15.650 -14.595 -4.270 1.00 0.00 N ATOM 863 CA VAL A 55 14.856 -13.664 -3.477 1.00 0.00 C ATOM 864 C VAL A 55 15.042 -12.231 -3.964 1.00 0.00 C ATOM 865 O VAL A 55 16.132 -11.845 -4.385 1.00 0.00 O ATOM 866 CB VAL A 55 15.226 -13.740 -1.984 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.407 -12.743 -1.179 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.029 -15.154 -1.458 1.00 0.00 C ATOM 0 H VAL A 55 16.560 -14.235 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 55 13.812 -13.954 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 55 16.279 -13.480 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.682 -12.811 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.604 -11.734 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.346 -12.968 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.295 -15.190 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.986 -15.445 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.665 -15.842 -2.016 1.00 0.00 H new ATOM 878 N GLN A 56 13.970 -11.447 -3.901 1.00 0.00 N ATOM 879 CA GLN A 56 14.016 -10.056 -4.336 1.00 0.00 C ATOM 880 C GLN A 56 12.858 -9.262 -3.741 1.00 0.00 C ATOM 881 O GLN A 56 11.691 -9.593 -3.952 1.00 0.00 O ATOM 882 CB GLN A 56 13.975 -9.975 -5.863 1.00 0.00 C ATOM 883 CG GLN A 56 12.991 -10.944 -6.497 1.00 0.00 C ATOM 884 CD GLN A 56 13.666 -12.185 -7.048 1.00 0.00 C ATOM 885 OE1 GLN A 56 14.527 -12.100 -7.925 1.00 0.00 O ATOM 886 NE2 GLN A 56 13.280 -13.347 -6.535 1.00 0.00 N ATOM 0 H GLN A 56 13.061 -11.751 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 56 14.951 -9.621 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.713 -8.959 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.972 -10.174 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.248 -11.238 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.456 -10.439 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.563 -13.371 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.700 -14.215 -6.866 1.00 0.00 H new ATOM 895 N CYS A 57 13.188 -8.212 -2.996 1.00 0.00 N ATOM 896 CA CYS A 57 12.176 -7.370 -2.370 1.00 0.00 C ATOM 897 C CYS A 57 12.298 -5.926 -2.847 1.00 0.00 C ATOM 898 O CYS A 57 13.400 -5.427 -3.077 1.00 0.00 O ATOM 899 CB CYS A 57 12.306 -7.428 -0.846 1.00 0.00 C ATOM 900 SG CYS A 57 14.016 -7.265 -0.240 1.00 0.00 S ATOM 0 H CYS A 57 14.149 -7.924 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 57 11.195 -7.748 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.700 -6.634 -0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.895 -8.374 -0.493 1.00 0.00 H new ATOM 905 N CYS A 58 11.158 -5.258 -2.993 1.00 0.00 N ATOM 906 CA CYS A 58 11.136 -3.872 -3.443 1.00 0.00 C ATOM 907 C CYS A 58 10.400 -2.987 -2.441 1.00 0.00 C ATOM 908 O CYS A 58 9.490 -3.441 -1.748 1.00 0.00 O ATOM 909 CB CYS A 58 10.468 -3.770 -4.816 1.00 0.00 C ATOM 910 SG CYS A 58 11.633 -3.504 -6.191 1.00 0.00 S ATOM 0 H CYS A 58 10.237 -5.655 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 58 12.166 -3.525 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.904 -4.684 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.750 -2.950 -4.799 1.00 0.00 H new ATOM 915 N SER A 59 10.801 -1.722 -2.371 1.00 0.00 N ATOM 916 CA SER A 59 10.183 -0.773 -1.452 1.00 0.00 C ATOM 917 C SER A 59 9.627 0.431 -2.206 1.00 0.00 C ATOM 918 O SER A 59 9.587 1.544 -1.681 1.00 0.00 O ATOM 919 CB SER A 59 11.198 -0.310 -0.405 1.00 0.00 C ATOM 920 OG SER A 59 12.481 -0.135 -0.981 1.00 0.00 O ATOM 0 H SER A 59 11.551 -1.330 -2.940 1.00 0.00 H new ATOM 0 HA SER A 59 9.357 -1.277 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.865 0.628 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.254 -1.042 0.400 1.00 0.00 H new ATOM 0 HG SER A 59 13.111 0.163 -0.292 1.00 0.00 H new ATOM 926 N THR A 60 9.198 0.200 -3.443 1.00 0.00 N ATOM 927 CA THR A 60 8.645 1.265 -4.272 1.00 0.00 C ATOM 928 C THR A 60 7.456 0.767 -5.085 1.00 0.00 C ATOM 929 O THR A 60 7.358 -0.420 -5.395 1.00 0.00 O ATOM 930 CB THR A 60 9.706 1.838 -5.231 1.00 0.00 C ATOM 931 OG1 THR A 60 10.890 1.034 -5.189 1.00 0.00 O ATOM 932 CG2 THR A 60 10.048 3.274 -4.864 1.00 0.00 C ATOM 0 H THR A 60 9.223 -0.715 -3.893 1.00 0.00 H new ATOM 0 HA THR A 60 8.314 2.053 -3.596 1.00 0.00 H new ATOM 0 HB THR A 60 9.295 1.826 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.559 1.404 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.799 3.657 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.150 3.889 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.440 3.306 -3.847 1.00 0.00 H new ATOM 940 N ASP A 61 6.556 1.681 -5.428 1.00 0.00 N ATOM 941 CA ASP A 61 5.374 1.335 -6.208 1.00 0.00 C ATOM 942 C ASP A 61 5.760 0.904 -7.620 1.00 0.00 C ATOM 943 O ASP A 61 6.541 1.576 -8.294 1.00 0.00 O ATOM 944 CB ASP A 61 4.412 2.523 -6.270 1.00 0.00 C ATOM 945 CG ASP A 61 5.010 3.716 -6.989 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.866 4.402 -6.391 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.624 3.963 -8.151 1.00 0.00 O ATOM 0 H ASP A 61 6.622 2.668 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 61 4.877 0.499 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.496 2.219 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.134 2.815 -5.257 1.00 0.00 H new ATOM 952 N LYS A 62 5.210 -0.222 -8.060 1.00 0.00 N ATOM 953 CA LYS A 62 5.496 -0.744 -9.391 1.00 0.00 C ATOM 954 C LYS A 62 6.970 -1.112 -9.526 1.00 0.00 C ATOM 955 O LYS A 62 7.535 -1.063 -10.619 1.00 0.00 O ATOM 956 CB LYS A 62 5.116 0.285 -10.458 1.00 0.00 C ATOM 957 CG LYS A 62 3.759 0.927 -10.228 1.00 0.00 C ATOM 958 CD LYS A 62 2.651 -0.111 -10.187 1.00 0.00 C ATOM 959 CE LYS A 62 2.538 -0.858 -11.507 1.00 0.00 C ATOM 960 NZ LYS A 62 2.421 0.073 -12.663 1.00 0.00 N ATOM 0 H LYS A 62 4.563 -0.791 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 62 4.900 -1.645 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.877 1.065 -10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.119 -0.199 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.773 1.483 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.556 1.646 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.845 -0.820 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.703 0.376 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.413 -1.494 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.668 -1.514 -11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.128 -0.458 -13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.712 0.804 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.341 0.524 -12.840 1.00 0.00 H new ATOM 974 N CYS A 63 7.588 -1.480 -8.409 1.00 0.00 N ATOM 975 CA CYS A 63 8.997 -1.856 -8.402 1.00 0.00 C ATOM 976 C CYS A 63 9.154 -3.373 -8.352 1.00 0.00 C ATOM 977 O CYS A 63 9.875 -3.959 -9.158 1.00 0.00 O ATOM 978 CB CYS A 63 9.710 -1.220 -7.208 1.00 0.00 C ATOM 979 SG CYS A 63 11.444 -1.743 -7.013 1.00 0.00 S ATOM 0 H CYS A 63 7.135 -1.526 -7.496 1.00 0.00 H new ATOM 0 HA CYS A 63 9.450 -1.491 -9.324 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.679 -0.136 -7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.163 -1.467 -6.298 1.00 0.00 H new ATOM 984 N ASN A 64 8.472 -4.003 -7.401 1.00 0.00 N ATOM 985 CA ASN A 64 8.536 -5.451 -7.245 1.00 0.00 C ATOM 986 C ASN A 64 8.159 -6.155 -8.546 1.00 0.00 C ATOM 987 O ASN A 64 7.002 -6.129 -8.966 1.00 0.00 O ATOM 988 CB ASN A 64 7.606 -5.906 -6.118 1.00 0.00 C ATOM 989 CG ASN A 64 8.224 -6.993 -5.262 1.00 0.00 C ATOM 990 OD1 ASN A 64 9.447 -7.099 -5.160 1.00 0.00 O ATOM 991 ND2 ASN A 64 7.380 -7.809 -4.641 1.00 0.00 N ATOM 0 H ASN A 64 7.868 -3.533 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 64 9.561 -5.719 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.356 -5.051 -5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.673 -6.271 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.738 -8.560 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.374 -7.684 -4.754 1.00 0.00 H new ATOM 998 N LYS A 65 9.144 -6.784 -9.178 1.00 0.00 N ATOM 999 CA LYS A 65 8.917 -7.497 -10.430 1.00 0.00 C ATOM 1000 C LYS A 65 8.215 -8.827 -10.179 1.00 0.00 C ATOM 1001 O LYS A 65 7.736 -9.088 -9.075 1.00 0.00 O ATOM 1002 CB LYS A 65 10.245 -7.737 -11.151 1.00 0.00 C ATOM 1003 CG LYS A 65 11.082 -6.481 -11.320 1.00 0.00 C ATOM 1004 CD LYS A 65 10.321 -5.400 -12.067 1.00 0.00 C ATOM 1005 CE LYS A 65 11.169 -4.152 -12.260 1.00 0.00 C ATOM 1006 NZ LYS A 65 12.340 -4.409 -13.145 1.00 0.00 N ATOM 0 H LYS A 65 10.107 -6.815 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 65 8.275 -6.881 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.822 -8.476 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.043 -8.164 -12.133 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.380 -6.107 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.997 -6.723 -11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.006 -5.781 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.416 -5.144 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.556 -3.359 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.517 -3.796 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.775 -3.504 -13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.038 -4.990 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.026 -4.912 -13.999 1.00 0.00 H new TER 1020 LYS A 65