USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 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 GLY N :NH3+ -116:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 106:sc= 0.575 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.34! C(o=-4.3!,f=-14!) USER MOD Single : A 17 MET CE :methyl -139:sc= -21.7! (180deg=-28.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.991 K(o=-0.99,f=0.22) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -1.98! (180deg=-4.1!) USER MOD Single : A 37 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.34) USER MOD Single : A 38 TYR OH : rot 83:sc= -4.62! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.81! C(o=-7.8!,f=-8.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.524 14.609 9.531 1.00 0.00 N ATOM 2 CA GLY A 1 22.103 15.025 9.701 1.00 0.00 C ATOM 3 C GLY A 1 21.256 14.425 8.577 1.00 0.00 C ATOM 4 O GLY A 1 21.770 13.852 7.638 1.00 0.00 O ATOM 0 H1 GLY A 1 23.812 14.019 10.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.623 14.064 8.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.130 15.453 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.729 14.692 10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.027 16.112 9.687 1.00 0.00 H new ATOM 10 N SER A 2 19.961 14.555 8.667 1.00 0.00 N ATOM 11 CA SER A 2 19.079 13.993 7.602 1.00 0.00 C ATOM 12 C SER A 2 17.647 14.504 7.781 1.00 0.00 C ATOM 13 O SER A 2 17.164 14.621 8.890 1.00 0.00 O ATOM 14 CB SER A 2 19.139 12.478 7.798 1.00 0.00 C ATOM 15 OG SER A 2 17.986 12.052 8.511 1.00 0.00 O ATOM 0 H SER A 2 19.475 15.025 9.430 1.00 0.00 H new ATOM 0 HA SER A 2 19.398 14.286 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.189 11.976 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.041 12.206 8.346 1.00 0.00 H new ATOM 0 HG SER A 2 18.020 11.081 8.637 1.00 0.00 H new ATOM 21 N PRO A 3 17.015 14.790 6.675 1.00 0.00 N ATOM 22 CA PRO A 3 15.621 15.295 6.703 1.00 0.00 C ATOM 23 C PRO A 3 14.655 14.176 7.108 1.00 0.00 C ATOM 24 O PRO A 3 14.807 13.044 6.695 1.00 0.00 O ATOM 25 CB PRO A 3 15.372 15.740 5.264 1.00 0.00 C ATOM 26 CG PRO A 3 16.330 14.937 4.442 1.00 0.00 C ATOM 27 CD PRO A 3 17.533 14.670 5.308 1.00 0.00 C ATOM 0 HA PRO A 3 15.470 16.099 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.341 15.552 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.549 16.809 5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.872 14.002 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.616 15.480 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.947 13.679 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.330 15.389 5.118 1.00 0.00 H new ATOM 35 N PRO A 4 13.691 14.539 7.910 1.00 0.00 N ATOM 36 CA PRO A 4 12.685 13.559 8.387 1.00 0.00 C ATOM 37 C PRO A 4 11.692 13.217 7.271 1.00 0.00 C ATOM 38 O PRO A 4 10.768 12.452 7.462 1.00 0.00 O ATOM 39 CB PRO A 4 11.985 14.292 9.528 1.00 0.00 C ATOM 40 CG PRO A 4 12.174 15.747 9.233 1.00 0.00 C ATOM 41 CD PRO A 4 13.452 15.884 8.445 1.00 0.00 C ATOM 0 HA PRO A 4 13.127 12.613 8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.927 14.033 9.572 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.419 14.026 10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.329 16.137 8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.229 16.322 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.350 16.618 7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.276 16.213 9.077 1.00 0.00 H new ATOM 49 N GLU A 5 11.876 13.777 6.109 1.00 0.00 N ATOM 50 CA GLU A 5 10.943 13.482 4.984 1.00 0.00 C ATOM 51 C GLU A 5 11.500 12.360 4.105 1.00 0.00 C ATOM 52 O GLU A 5 11.764 12.549 2.934 1.00 0.00 O ATOM 53 CB GLU A 5 10.850 14.780 4.201 1.00 0.00 C ATOM 54 CG GLU A 5 9.405 15.282 4.212 1.00 0.00 C ATOM 55 CD GLU A 5 8.483 14.197 3.653 1.00 0.00 C ATOM 56 OE1 GLU A 5 8.986 13.304 2.992 1.00 0.00 O ATOM 57 OE2 GLU A 5 7.290 14.278 3.896 1.00 0.00 O ATOM 0 H GLU A 5 12.631 14.426 5.888 1.00 0.00 H new ATOM 0 HA GLU A 5 9.968 13.147 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.509 15.529 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.183 14.623 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.106 15.540 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.320 16.190 3.615 1.00 0.00 H new ATOM 64 N ALA A 6 11.681 11.191 4.660 1.00 0.00 N ATOM 65 CA ALA A 6 12.221 10.059 3.853 1.00 0.00 C ATOM 66 C ALA A 6 11.076 9.277 3.202 1.00 0.00 C ATOM 67 O ALA A 6 11.200 8.776 2.102 1.00 0.00 O ATOM 68 CB ALA A 6 12.970 9.181 4.857 1.00 0.00 C ATOM 0 H ALA A 6 11.479 10.972 5.635 1.00 0.00 H new ATOM 0 HA ALA A 6 12.869 10.399 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.399 8.322 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.768 9.760 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.278 8.834 5.624 1.00 0.00 H new ATOM 74 N ASP A 7 9.962 9.169 3.873 1.00 0.00 N ATOM 75 CA ASP A 7 8.809 8.421 3.292 1.00 0.00 C ATOM 76 C ASP A 7 9.203 6.968 3.013 1.00 0.00 C ATOM 77 O ASP A 7 9.011 6.471 1.920 1.00 0.00 O ATOM 78 CB ASP A 7 8.485 9.149 1.986 1.00 0.00 C ATOM 79 CG ASP A 7 6.990 9.470 1.937 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.201 8.558 2.122 1.00 0.00 O ATOM 81 OD2 ASP A 7 6.659 10.624 1.716 1.00 0.00 O ATOM 0 H ASP A 7 9.800 9.566 4.798 1.00 0.00 H new ATOM 0 HA ASP A 7 7.954 8.392 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.067 10.068 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.763 8.529 1.133 1.00 0.00 H new ATOM 86 N PRO A 8 9.743 6.334 4.018 1.00 0.00 N ATOM 87 CA PRO A 8 10.172 4.920 3.887 1.00 0.00 C ATOM 88 C PRO A 8 8.953 3.994 3.850 1.00 0.00 C ATOM 89 O PRO A 8 9.008 2.898 3.327 1.00 0.00 O ATOM 90 CB PRO A 8 10.995 4.678 5.150 1.00 0.00 C ATOM 91 CG PRO A 8 10.485 5.676 6.141 1.00 0.00 C ATOM 92 CD PRO A 8 10.003 6.870 5.358 1.00 0.00 C ATOM 0 HA PRO A 8 10.732 4.725 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.868 3.659 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.059 4.818 4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.675 5.251 6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.272 5.964 6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.103 7.299 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.753 7.660 5.333 1.00 0.00 H new ATOM 100 N ARG A 9 7.854 4.426 4.404 1.00 0.00 N ATOM 101 CA ARG A 9 6.635 3.582 4.409 1.00 0.00 C ATOM 102 C ARG A 9 6.122 3.380 2.990 1.00 0.00 C ATOM 103 O ARG A 9 5.307 2.521 2.729 1.00 0.00 O ATOM 104 CB ARG A 9 5.630 4.386 5.224 1.00 0.00 C ATOM 105 CG ARG A 9 5.297 5.681 4.480 1.00 0.00 C ATOM 106 CD ARG A 9 4.292 6.497 5.296 1.00 0.00 C ATOM 107 NE ARG A 9 4.959 7.808 5.523 1.00 0.00 N ATOM 108 CZ ARG A 9 4.384 8.911 5.124 1.00 0.00 C ATOM 109 NH1 ARG A 9 3.095 9.058 5.256 1.00 0.00 N ATOM 110 NH2 ARG A 9 5.100 9.865 4.595 1.00 0.00 N ATOM 0 H ARG A 9 7.751 5.335 4.856 1.00 0.00 H new ATOM 0 HA ARG A 9 6.815 2.589 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.724 3.802 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.041 4.613 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.205 6.262 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.883 5.452 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.352 6.620 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.057 6.005 6.240 1.00 0.00 H new ATOM 0 HE ARG A 9 5.865 7.845 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.536 8.312 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.645 9.919 4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.108 9.749 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.651 10.726 4.283 1.00 0.00 H new ATOM 124 N LEU A 10 6.591 4.166 2.077 1.00 0.00 N ATOM 125 CA LEU A 10 6.132 4.024 0.670 1.00 0.00 C ATOM 126 C LEU A 10 6.883 2.884 -0.007 1.00 0.00 C ATOM 127 O LEU A 10 6.381 2.241 -0.907 1.00 0.00 O ATOM 128 CB LEU A 10 6.453 5.368 0.019 1.00 0.00 C ATOM 129 CG LEU A 10 6.262 5.260 -1.495 1.00 0.00 C ATOM 130 CD1 LEU A 10 5.687 6.572 -2.031 1.00 0.00 C ATOM 131 CD2 LEU A 10 7.613 4.987 -2.160 1.00 0.00 C ATOM 0 H LEU A 10 7.275 4.905 2.239 1.00 0.00 H new ATOM 0 HA LEU A 10 5.071 3.786 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.804 6.144 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.478 5.659 0.247 1.00 0.00 H new ATOM 0 HG LEU A 10 5.575 4.444 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.551 6.496 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.725 6.768 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.375 7.388 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.478 4.910 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.300 5.804 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.024 4.053 -1.778 1.00 0.00 H new ATOM 143 N ILE A 11 8.078 2.615 0.431 1.00 0.00 N ATOM 144 CA ILE A 11 8.853 1.506 -0.169 1.00 0.00 C ATOM 145 C ILE A 11 8.758 0.281 0.743 1.00 0.00 C ATOM 146 O ILE A 11 8.710 -0.842 0.284 1.00 0.00 O ATOM 147 CB ILE A 11 10.285 2.055 -0.267 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.511 2.611 -1.672 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.307 0.953 0.017 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.456 1.470 -2.689 1.00 0.00 C ATOM 0 H ILE A 11 8.550 3.119 1.181 1.00 0.00 H new ATOM 0 HA ILE A 11 8.492 1.187 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 11 10.413 2.844 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.751 3.357 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.477 3.113 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.314 1.363 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.149 0.560 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.187 0.150 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.617 1.868 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.232 0.740 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.479 0.988 -2.643 1.00 0.00 H new ATOM 162 N GLU A 12 8.713 0.490 2.030 1.00 0.00 N ATOM 163 CA GLU A 12 8.603 -0.661 2.951 1.00 0.00 C ATOM 164 C GLU A 12 7.228 -1.304 2.799 1.00 0.00 C ATOM 165 O GLU A 12 7.108 -2.497 2.601 1.00 0.00 O ATOM 166 CB GLU A 12 8.776 -0.082 4.343 1.00 0.00 C ATOM 167 CG GLU A 12 9.991 -0.721 5.021 1.00 0.00 C ATOM 168 CD GLU A 12 11.143 0.285 5.062 1.00 0.00 C ATOM 169 OE1 GLU A 12 10.891 1.433 5.390 1.00 0.00 O ATOM 170 OE2 GLU A 12 12.260 -0.110 4.768 1.00 0.00 O ATOM 0 H GLU A 12 8.748 1.406 2.476 1.00 0.00 H new ATOM 0 HA GLU A 12 9.347 -1.432 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.907 0.999 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.880 -0.263 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.733 -1.035 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.295 -1.616 4.477 1.00 0.00 H new ATOM 177 N SER A 13 6.186 -0.522 2.878 1.00 0.00 N ATOM 178 CA SER A 13 4.833 -1.079 2.726 1.00 0.00 C ATOM 179 C SER A 13 4.666 -1.642 1.317 1.00 0.00 C ATOM 180 O SER A 13 3.883 -2.542 1.087 1.00 0.00 O ATOM 181 CB SER A 13 3.916 0.114 2.955 1.00 0.00 C ATOM 182 OG SER A 13 4.107 0.608 4.274 1.00 0.00 O ATOM 0 H SER A 13 6.225 0.484 3.043 1.00 0.00 H new ATOM 0 HA SER A 13 4.619 -1.896 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.130 0.896 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.876 -0.179 2.811 1.00 0.00 H new ATOM 0 HG SER A 13 4.610 1.448 4.239 1.00 0.00 H new ATOM 188 N LEU A 14 5.409 -1.134 0.370 1.00 0.00 N ATOM 189 CA LEU A 14 5.293 -1.669 -1.010 1.00 0.00 C ATOM 190 C LEU A 14 6.036 -2.997 -1.085 1.00 0.00 C ATOM 191 O LEU A 14 5.731 -3.848 -1.897 1.00 0.00 O ATOM 192 CB LEU A 14 5.950 -0.619 -1.908 1.00 0.00 C ATOM 193 CG LEU A 14 4.881 0.073 -2.753 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.255 -0.936 -3.716 1.00 0.00 C ATOM 195 CD2 LEU A 14 3.795 0.641 -1.837 1.00 0.00 C ATOM 0 H LEU A 14 6.084 -0.379 0.494 1.00 0.00 H new ATOM 0 HA LEU A 14 4.262 -1.850 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.479 0.115 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.690 -1.090 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 14 5.339 0.882 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.493 -0.440 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.027 -1.342 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.798 -1.746 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.032 1.135 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.339 -0.169 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.239 1.362 -1.151 1.00 0.00 H new ATOM 207 N SER A 15 7.006 -3.189 -0.232 1.00 0.00 N ATOM 208 CA SER A 15 7.752 -4.465 -0.246 1.00 0.00 C ATOM 209 C SER A 15 6.880 -5.577 0.338 1.00 0.00 C ATOM 210 O SER A 15 6.911 -6.704 -0.117 1.00 0.00 O ATOM 211 CB SER A 15 8.982 -4.222 0.626 1.00 0.00 C ATOM 212 OG SER A 15 10.095 -3.919 -0.206 1.00 0.00 O ATOM 0 H SER A 15 7.309 -2.514 0.470 1.00 0.00 H new ATOM 0 HA SER A 15 8.034 -4.774 -1.253 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.795 -3.400 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.194 -5.104 1.230 1.00 0.00 H new ATOM 0 HG SER A 15 10.886 -3.761 0.351 1.00 0.00 H new ATOM 218 N GLN A 16 6.101 -5.273 1.343 1.00 0.00 N ATOM 219 CA GLN A 16 5.241 -6.309 1.943 1.00 0.00 C ATOM 220 C GLN A 16 4.105 -6.677 0.987 1.00 0.00 C ATOM 221 O GLN A 16 3.649 -7.802 0.962 1.00 0.00 O ATOM 222 CB GLN A 16 4.717 -5.672 3.234 1.00 0.00 C ATOM 223 CG GLN A 16 3.494 -4.798 2.942 1.00 0.00 C ATOM 224 CD GLN A 16 2.220 -5.627 3.113 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.805 -6.321 2.206 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.576 -5.585 4.248 1.00 0.00 N ATOM 0 H GLN A 16 6.030 -4.348 1.768 1.00 0.00 H new ATOM 0 HA GLN A 16 5.772 -7.239 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.453 -6.451 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.501 -5.070 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.476 -3.942 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.550 -4.403 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.923 -5.003 5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.726 -6.134 4.373 1.00 0.00 H new ATOM 235 N MET A 17 3.656 -5.753 0.182 1.00 0.00 N ATOM 236 CA MET A 17 2.577 -6.089 -0.773 1.00 0.00 C ATOM 237 C MET A 17 3.194 -6.812 -1.966 1.00 0.00 C ATOM 238 O MET A 17 2.522 -7.498 -2.711 1.00 0.00 O ATOM 239 CB MET A 17 1.979 -4.750 -1.186 1.00 0.00 C ATOM 240 CG MET A 17 0.841 -4.387 -0.229 1.00 0.00 C ATOM 241 SD MET A 17 -0.739 -4.834 -0.986 1.00 0.00 S ATOM 242 CE MET A 17 -1.824 -4.075 0.247 1.00 0.00 C ATOM 0 H MET A 17 3.990 -4.790 0.148 1.00 0.00 H new ATOM 0 HA MET A 17 1.812 -6.741 -0.352 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.746 -3.975 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.606 -4.805 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.965 -4.912 0.718 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.863 -3.320 -0.008 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.668 -4.736 0.446 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.267 -3.910 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.192 -3.121 -0.130 1.00 0.00 H new ATOM 252 N LEU A 18 4.484 -6.676 -2.138 1.00 0.00 N ATOM 253 CA LEU A 18 5.161 -7.369 -3.265 1.00 0.00 C ATOM 254 C LEU A 18 5.339 -8.842 -2.915 1.00 0.00 C ATOM 255 O LEU A 18 5.448 -9.693 -3.776 1.00 0.00 O ATOM 256 CB LEU A 18 6.516 -6.676 -3.409 1.00 0.00 C ATOM 257 CG LEU A 18 7.271 -7.271 -4.599 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.370 -7.253 -5.835 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.527 -6.441 -4.872 1.00 0.00 C ATOM 0 H LEU A 18 5.094 -6.114 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 18 4.592 -7.321 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.375 -5.605 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.099 -6.801 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 18 7.556 -8.298 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.907 -7.677 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.475 -7.843 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.085 -6.226 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.066 -6.864 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.242 -5.414 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.169 -6.453 -3.992 1.00 0.00 H new ATOM 271 N SER A 19 5.354 -9.147 -1.650 1.00 0.00 N ATOM 272 CA SER A 19 5.511 -10.567 -1.226 1.00 0.00 C ATOM 273 C SER A 19 4.206 -11.069 -0.608 1.00 0.00 C ATOM 274 O SER A 19 4.197 -11.671 0.447 1.00 0.00 O ATOM 275 CB SER A 19 6.627 -10.552 -0.184 1.00 0.00 C ATOM 276 OG SER A 19 7.878 -10.750 -0.829 1.00 0.00 O ATOM 0 H SER A 19 5.264 -8.474 -0.888 1.00 0.00 H new ATOM 0 HA SER A 19 5.748 -11.227 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.627 -9.602 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.459 -11.334 0.556 1.00 0.00 H new ATOM 0 HG SER A 19 8.596 -10.739 -0.162 1.00 0.00 H new ATOM 282 N MET A 20 3.103 -10.815 -1.255 1.00 0.00 N ATOM 283 CA MET A 20 1.796 -11.266 -0.703 1.00 0.00 C ATOM 284 C MET A 20 0.948 -11.929 -1.782 1.00 0.00 C ATOM 285 O MET A 20 0.600 -13.091 -1.697 1.00 0.00 O ATOM 286 CB MET A 20 1.128 -9.994 -0.210 1.00 0.00 C ATOM 287 CG MET A 20 1.112 -9.978 1.318 1.00 0.00 C ATOM 288 SD MET A 20 0.154 -11.387 1.927 1.00 0.00 S ATOM 289 CE MET A 20 1.266 -11.850 3.278 1.00 0.00 C ATOM 0 H MET A 20 3.050 -10.315 -2.142 1.00 0.00 H new ATOM 0 HA MET A 20 1.920 -12.006 0.088 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.663 -9.122 -0.587 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.110 -9.934 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.131 -10.024 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.676 -9.046 1.678 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.862 -12.716 3.801 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.248 -12.096 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.359 -11.017 3.974 1.00 0.00 H new ATOM 299 N GLY A 21 0.600 -11.186 -2.780 1.00 0.00 N ATOM 300 CA GLY A 21 -0.245 -11.726 -3.867 1.00 0.00 C ATOM 301 C GLY A 21 -1.308 -10.693 -4.177 1.00 0.00 C ATOM 302 O GLY A 21 -2.487 -10.982 -4.243 1.00 0.00 O ATOM 0 H GLY A 21 0.869 -10.209 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.356 -11.934 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.703 -12.668 -3.564 1.00 0.00 H new ATOM 306 N PHE A 22 -0.893 -9.475 -4.308 1.00 0.00 N ATOM 307 CA PHE A 22 -1.855 -8.386 -4.545 1.00 0.00 C ATOM 308 C PHE A 22 -1.798 -7.833 -5.963 1.00 0.00 C ATOM 309 O PHE A 22 -0.985 -8.213 -6.780 1.00 0.00 O ATOM 310 CB PHE A 22 -1.441 -7.335 -3.532 1.00 0.00 C ATOM 311 CG PHE A 22 -1.910 -7.791 -2.191 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.222 -8.235 -2.045 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.044 -7.785 -1.100 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.674 -8.662 -0.804 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.498 -8.216 0.142 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.821 -8.654 0.287 1.00 0.00 C ATOM 0 H PHE A 22 0.084 -9.186 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.885 -8.724 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.359 -7.205 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.879 -6.369 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.887 -8.247 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.025 -7.447 -1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.693 -9.001 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.832 -8.213 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.176 -8.986 1.251 1.00 0.00 H new ATOM 326 N SER A 23 -2.696 -6.935 -6.237 1.00 0.00 N ATOM 327 CA SER A 23 -2.788 -6.310 -7.575 1.00 0.00 C ATOM 328 C SER A 23 -2.394 -4.833 -7.510 1.00 0.00 C ATOM 329 O SER A 23 -1.654 -4.410 -6.645 1.00 0.00 O ATOM 330 CB SER A 23 -4.263 -6.431 -7.946 1.00 0.00 C ATOM 331 OG SER A 23 -4.397 -7.270 -9.086 1.00 0.00 O ATOM 0 H SER A 23 -3.389 -6.600 -5.568 1.00 0.00 H new ATOM 0 HA SER A 23 -2.124 -6.786 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.827 -6.843 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.678 -5.445 -8.156 1.00 0.00 H new ATOM 0 HG SER A 23 -5.344 -7.350 -9.324 1.00 0.00 H new ATOM 337 N ASP A 24 -2.897 -4.045 -8.423 1.00 0.00 N ATOM 338 CA ASP A 24 -2.571 -2.594 -8.424 1.00 0.00 C ATOM 339 C ASP A 24 -3.678 -1.807 -9.132 1.00 0.00 C ATOM 340 O ASP A 24 -3.418 -0.837 -9.815 1.00 0.00 O ATOM 341 CB ASP A 24 -1.256 -2.483 -9.191 1.00 0.00 C ATOM 342 CG ASP A 24 -0.591 -1.142 -8.877 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.011 -0.503 -7.927 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.327 -0.775 -9.594 1.00 0.00 O ATOM 0 H ASP A 24 -3.522 -4.348 -9.170 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.487 -2.187 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.592 -3.303 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.440 -2.567 -10.262 1.00 0.00 H new ATOM 349 N GLU A 25 -4.911 -2.215 -8.974 1.00 0.00 N ATOM 350 CA GLU A 25 -6.027 -1.481 -9.637 1.00 0.00 C ATOM 351 C GLU A 25 -5.814 0.024 -9.475 1.00 0.00 C ATOM 352 O GLU A 25 -5.350 0.484 -8.451 1.00 0.00 O ATOM 353 CB GLU A 25 -7.293 -1.927 -8.904 1.00 0.00 C ATOM 354 CG GLU A 25 -8.518 -1.327 -9.594 1.00 0.00 C ATOM 355 CD GLU A 25 -8.760 -2.050 -10.921 1.00 0.00 C ATOM 356 OE1 GLU A 25 -8.024 -2.979 -11.209 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.676 -1.662 -11.626 1.00 0.00 O ATOM 0 H GLU A 25 -5.191 -3.022 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.089 -1.689 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.360 -3.015 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.255 -1.607 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.393 -1.421 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.365 -0.262 -9.770 1.00 0.00 H new ATOM 364 N GLY A 26 -6.126 0.799 -10.477 1.00 0.00 N ATOM 365 CA GLY A 26 -5.908 2.266 -10.359 1.00 0.00 C ATOM 366 C GLY A 26 -4.510 2.499 -9.789 1.00 0.00 C ATOM 367 O GLY A 26 -4.234 3.507 -9.169 1.00 0.00 O ATOM 0 H GLY A 26 -6.519 0.483 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.005 2.744 -11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.662 2.711 -9.709 1.00 0.00 H new ATOM 371 N GLY A 27 -3.626 1.560 -9.999 1.00 0.00 N ATOM 372 CA GLY A 27 -2.240 1.692 -9.480 1.00 0.00 C ATOM 373 C GLY A 27 -2.263 2.013 -7.984 1.00 0.00 C ATOM 374 O GLY A 27 -1.663 2.975 -7.545 1.00 0.00 O ATOM 0 H GLY A 27 -3.811 0.699 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.690 0.767 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.715 2.480 -10.020 1.00 0.00 H new ATOM 378 N TRP A 28 -2.946 1.227 -7.187 1.00 0.00 N ATOM 379 CA TRP A 28 -2.982 1.521 -5.737 1.00 0.00 C ATOM 380 C TRP A 28 -1.755 0.939 -5.030 1.00 0.00 C ATOM 381 O TRP A 28 -1.290 1.491 -4.058 1.00 0.00 O ATOM 382 CB TRP A 28 -4.284 0.903 -5.221 1.00 0.00 C ATOM 383 CG TRP A 28 -4.282 -0.575 -5.369 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.064 -1.261 -6.219 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.520 -1.553 -4.640 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.801 -2.612 -6.084 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.855 -2.839 -5.119 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.570 -1.449 -3.630 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.263 -3.982 -4.607 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.979 -2.588 -3.108 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.317 -3.857 -3.592 1.00 0.00 C ATOM 0 H TRP A 28 -3.472 0.405 -7.482 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.955 2.593 -5.540 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.421 1.164 -4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.129 1.323 -5.767 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.783 -0.827 -6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.253 -3.344 -6.632 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.292 -0.477 -3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.531 -4.956 -4.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.249 -2.496 -2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.846 -4.737 -3.180 1.00 0.00 H new ATOM 402 N LEU A 29 -1.195 -0.142 -5.494 1.00 0.00 N ATOM 403 CA LEU A 29 0.009 -0.658 -4.789 1.00 0.00 C ATOM 404 C LEU A 29 0.986 0.504 -4.587 1.00 0.00 C ATOM 405 O LEU A 29 1.786 0.513 -3.674 1.00 0.00 O ATOM 406 CB LEU A 29 0.601 -1.746 -5.690 1.00 0.00 C ATOM 407 CG LEU A 29 0.488 -3.096 -4.972 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.247 -4.182 -5.734 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.073 -2.977 -3.562 1.00 0.00 C ATOM 0 H LEU A 29 -1.506 -0.676 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.218 -1.075 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.070 -1.779 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.644 -1.524 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.566 -3.370 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.153 -5.131 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.831 -4.282 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.300 -3.909 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.992 -3.937 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.122 -2.688 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.522 -2.221 -3.002 1.00 0.00 H new ATOM 421 N THR A 30 0.897 1.501 -5.431 1.00 0.00 N ATOM 422 CA THR A 30 1.785 2.692 -5.297 1.00 0.00 C ATOM 423 C THR A 30 1.016 3.869 -4.670 1.00 0.00 C ATOM 424 O THR A 30 1.532 4.582 -3.833 1.00 0.00 O ATOM 425 CB THR A 30 2.211 3.031 -6.727 1.00 0.00 C ATOM 426 OG1 THR A 30 2.739 1.869 -7.350 1.00 0.00 O ATOM 427 CG2 THR A 30 3.278 4.125 -6.697 1.00 0.00 C ATOM 0 H THR A 30 0.242 1.540 -6.212 1.00 0.00 H new ATOM 0 HA THR A 30 2.640 2.495 -4.651 1.00 0.00 H new ATOM 0 HB THR A 30 1.347 3.385 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.011 2.084 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.581 4.366 -7.716 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.872 5.016 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.143 3.774 -6.135 1.00 0.00 H new ATOM 435 N ARG A 31 -0.209 4.084 -5.084 1.00 0.00 N ATOM 436 CA ARG A 31 -1.009 5.225 -4.531 1.00 0.00 C ATOM 437 C ARG A 31 -1.850 4.781 -3.327 1.00 0.00 C ATOM 438 O ARG A 31 -2.125 5.568 -2.443 1.00 0.00 O ATOM 439 CB ARG A 31 -1.919 5.661 -5.681 1.00 0.00 C ATOM 440 CG ARG A 31 -2.689 6.921 -5.274 1.00 0.00 C ATOM 441 CD ARG A 31 -3.418 7.491 -6.493 1.00 0.00 C ATOM 442 NE ARG A 31 -4.863 7.256 -6.220 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.731 7.330 -7.191 1.00 0.00 C ATOM 444 NH1 ARG A 31 -5.947 6.293 -7.952 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.382 8.442 -7.401 1.00 0.00 N ATOM 0 H ARG A 31 -0.691 3.518 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.367 6.032 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.326 5.857 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.616 4.861 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.405 6.684 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.003 7.664 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.207 8.553 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.103 6.993 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.174 7.037 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.437 5.425 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.626 6.350 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.212 9.253 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.061 8.500 -8.160 1.00 0.00 H new ATOM 459 N LEU A 32 -2.261 3.533 -3.288 1.00 0.00 N ATOM 460 CA LEU A 32 -3.084 3.035 -2.137 1.00 0.00 C ATOM 461 C LEU A 32 -2.611 3.713 -0.855 1.00 0.00 C ATOM 462 O LEU A 32 -3.344 4.429 -0.204 1.00 0.00 O ATOM 463 CB LEU A 32 -2.811 1.535 -2.047 1.00 0.00 C ATOM 464 CG LEU A 32 -3.491 0.966 -0.801 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.005 0.938 -1.015 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.987 -0.456 -0.549 1.00 0.00 C ATOM 0 H LEU A 32 -2.061 2.837 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.145 3.245 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.184 1.033 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.737 1.352 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.256 1.593 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.490 0.533 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.366 1.951 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.239 0.311 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.472 -0.862 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.222 -1.083 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.908 -0.438 -0.397 1.00 0.00 H new ATOM 478 N LEU A 33 -1.365 3.514 -0.517 1.00 0.00 N ATOM 479 CA LEU A 33 -0.805 4.165 0.684 1.00 0.00 C ATOM 480 C LEU A 33 -1.020 5.660 0.566 1.00 0.00 C ATOM 481 O LEU A 33 -1.471 6.317 1.480 1.00 0.00 O ATOM 482 CB LEU A 33 0.681 3.849 0.616 1.00 0.00 C ATOM 483 CG LEU A 33 0.925 2.343 0.776 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.334 2.099 1.320 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.113 1.710 1.717 1.00 0.00 C ATOM 0 H LEU A 33 -0.712 2.922 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.259 3.828 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.086 4.189 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.209 4.393 1.399 1.00 0.00 H new ATOM 0 HG LEU A 33 0.827 1.877 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.501 1.028 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.068 2.510 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.439 2.585 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.085 0.642 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.048 2.179 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.113 1.859 1.309 1.00 0.00 H new ATOM 497 N GLN A 34 -0.708 6.198 -0.571 1.00 0.00 N ATOM 498 CA GLN A 34 -0.896 7.636 -0.782 1.00 0.00 C ATOM 499 C GLN A 34 -2.369 7.983 -0.554 1.00 0.00 C ATOM 500 O GLN A 34 -2.715 9.109 -0.256 1.00 0.00 O ATOM 501 CB GLN A 34 -0.482 7.867 -2.229 1.00 0.00 C ATOM 502 CG GLN A 34 0.878 7.216 -2.489 1.00 0.00 C ATOM 503 CD GLN A 34 1.492 7.807 -3.760 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.925 7.081 -4.634 1.00 0.00 O ATOM 505 NE2 GLN A 34 1.550 9.102 -3.902 1.00 0.00 N ATOM 0 H GLN A 34 -0.326 5.690 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.315 8.259 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.230 7.449 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.429 8.936 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.541 7.383 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.762 6.137 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.187 9.712 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.958 9.505 -4.746 1.00 0.00 H new ATOM 514 N THR A 35 -3.239 7.011 -0.680 1.00 0.00 N ATOM 515 CA THR A 35 -4.679 7.267 -0.456 1.00 0.00 C ATOM 516 C THR A 35 -5.086 6.774 0.935 1.00 0.00 C ATOM 517 O THR A 35 -6.071 7.209 1.499 1.00 0.00 O ATOM 518 CB THR A 35 -5.399 6.485 -1.546 1.00 0.00 C ATOM 519 OG1 THR A 35 -5.304 7.191 -2.775 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.871 6.303 -1.170 1.00 0.00 C ATOM 0 H THR A 35 -3.004 6.050 -0.930 1.00 0.00 H new ATOM 0 HA THR A 35 -4.926 8.328 -0.499 1.00 0.00 H new ATOM 0 HB THR A 35 -4.935 5.505 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.895 6.775 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.380 5.743 -1.954 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.941 5.757 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.341 7.280 -1.058 1.00 0.00 H new ATOM 528 N LYS A 36 -4.325 5.868 1.492 1.00 0.00 N ATOM 529 CA LYS A 36 -4.651 5.341 2.849 1.00 0.00 C ATOM 530 C LYS A 36 -3.468 5.572 3.795 1.00 0.00 C ATOM 531 O LYS A 36 -3.274 4.852 4.753 1.00 0.00 O ATOM 532 CB LYS A 36 -4.893 3.844 2.649 1.00 0.00 C ATOM 533 CG LYS A 36 -6.378 3.599 2.377 1.00 0.00 C ATOM 534 CD LYS A 36 -7.065 3.144 3.667 1.00 0.00 C ATOM 535 CE LYS A 36 -8.203 4.110 4.009 1.00 0.00 C ATOM 536 NZ LYS A 36 -7.533 5.414 4.275 1.00 0.00 N ATOM 0 H LYS A 36 -3.489 5.470 1.063 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.517 5.835 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.294 3.476 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.579 3.292 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.846 4.511 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.497 2.841 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.456 2.134 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.344 3.112 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.913 4.191 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.763 3.769 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.107 5.970 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.593 5.244 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.431 5.940 3.384 1.00 0.00 H new ATOM 550 N ASN A 37 -2.682 6.578 3.531 1.00 0.00 N ATOM 551 CA ASN A 37 -1.512 6.873 4.405 1.00 0.00 C ATOM 552 C ASN A 37 -0.661 5.617 4.641 1.00 0.00 C ATOM 553 O ASN A 37 -0.630 5.090 5.734 1.00 0.00 O ATOM 554 CB ASN A 37 -2.133 7.355 5.712 1.00 0.00 C ATOM 555 CG ASN A 37 -1.029 7.675 6.721 1.00 0.00 C ATOM 556 OD1 ASN A 37 -0.193 8.522 6.475 1.00 0.00 O ATOM 557 ND2 ASN A 37 -0.990 7.029 7.854 1.00 0.00 N ATOM 0 H ASN A 37 -2.801 7.213 2.742 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.842 7.608 3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.742 8.241 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.796 6.589 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.258 7.235 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.692 6.318 8.060 1.00 0.00 H new ATOM 564 N TYR A 38 0.048 5.159 3.630 1.00 0.00 N ATOM 565 CA TYR A 38 0.928 3.957 3.781 1.00 0.00 C ATOM 566 C TYR A 38 0.428 3.017 4.868 1.00 0.00 C ATOM 567 O TYR A 38 1.171 2.517 5.690 1.00 0.00 O ATOM 568 CB TYR A 38 2.284 4.555 4.067 1.00 0.00 C ATOM 569 CG TYR A 38 2.597 5.411 2.875 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.054 6.697 2.770 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.364 4.893 1.839 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.294 7.464 1.634 1.00 0.00 C ATOM 573 CE2 TYR A 38 3.595 5.656 0.697 1.00 0.00 C ATOM 574 CZ TYR A 38 3.065 6.945 0.593 1.00 0.00 C ATOM 575 OH TYR A 38 3.297 7.700 -0.540 1.00 0.00 O ATOM 0 H TYR A 38 0.052 5.574 2.698 1.00 0.00 H new ATOM 0 HA TYR A 38 0.948 3.318 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.268 5.146 4.983 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.036 3.778 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.448 7.094 3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.781 3.900 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.884 8.460 1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.186 5.250 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 38 4.046 8.311 -0.378 1.00 0.00 H new ATOM 585 N ASP A 39 -0.840 2.753 4.824 1.00 0.00 N ATOM 586 CA ASP A 39 -1.471 1.812 5.790 1.00 0.00 C ATOM 587 C ASP A 39 -1.906 0.570 5.019 1.00 0.00 C ATOM 588 O ASP A 39 -3.008 0.081 5.180 1.00 0.00 O ATOM 589 CB ASP A 39 -2.683 2.560 6.347 1.00 0.00 C ATOM 590 CG ASP A 39 -2.892 2.170 7.812 1.00 0.00 C ATOM 591 OD1 ASP A 39 -2.429 1.108 8.194 1.00 0.00 O ATOM 592 OD2 ASP A 39 -3.512 2.941 8.527 1.00 0.00 O ATOM 0 H ASP A 39 -1.484 3.157 4.145 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.805 1.500 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.530 3.636 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.572 2.319 5.765 1.00 0.00 H new ATOM 597 N ILE A 40 -1.053 0.063 4.164 1.00 0.00 N ATOM 598 CA ILE A 40 -1.434 -1.130 3.378 1.00 0.00 C ATOM 599 C ILE A 40 -2.034 -2.174 4.315 1.00 0.00 C ATOM 600 O ILE A 40 -3.218 -2.360 4.320 1.00 0.00 O ATOM 601 CB ILE A 40 -0.135 -1.596 2.681 1.00 0.00 C ATOM 602 CG1 ILE A 40 -0.215 -1.243 1.194 1.00 0.00 C ATOM 603 CG2 ILE A 40 0.059 -3.109 2.805 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.179 -0.899 0.667 1.00 0.00 C ATOM 0 H ILE A 40 -0.117 0.427 3.983 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.198 -0.936 2.625 1.00 0.00 H new ATOM 0 HB ILE A 40 0.705 -1.095 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.629 -2.081 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.888 -0.398 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.982 -3.400 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.117 -3.383 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.783 -3.623 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.116 -0.649 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.576 -0.047 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.839 -1.756 0.798 1.00 0.00 H new ATOM 616 N GLY A 41 -1.235 -2.846 5.106 1.00 0.00 N ATOM 617 CA GLY A 41 -1.783 -3.889 6.039 1.00 0.00 C ATOM 618 C GLY A 41 -3.238 -3.586 6.401 1.00 0.00 C ATOM 619 O GLY A 41 -4.099 -4.440 6.317 1.00 0.00 O ATOM 0 H GLY A 41 -0.224 -2.720 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.717 -4.872 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.179 -3.926 6.945 1.00 0.00 H new ATOM 623 N ALA A 42 -3.526 -2.373 6.772 1.00 0.00 N ATOM 624 CA ALA A 42 -4.927 -2.014 7.101 1.00 0.00 C ATOM 625 C ALA A 42 -5.763 -2.059 5.826 1.00 0.00 C ATOM 626 O ALA A 42 -6.752 -2.760 5.745 1.00 0.00 O ATOM 627 CB ALA A 42 -4.841 -0.589 7.655 1.00 0.00 C ATOM 0 H ALA A 42 -2.850 -1.615 6.861 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.392 -2.692 7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.839 -0.243 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.202 -0.580 8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.421 0.072 6.897 1.00 0.00 H new ATOM 633 N ALA A 43 -5.359 -1.340 4.819 1.00 0.00 N ATOM 634 CA ALA A 43 -6.118 -1.373 3.545 1.00 0.00 C ATOM 635 C ALA A 43 -5.898 -2.727 2.878 1.00 0.00 C ATOM 636 O ALA A 43 -6.708 -3.184 2.099 1.00 0.00 O ATOM 637 CB ALA A 43 -5.535 -0.243 2.696 1.00 0.00 C ATOM 0 H ALA A 43 -4.539 -0.734 4.824 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.191 -1.242 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.049 -0.207 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.667 0.707 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.472 -0.422 2.532 1.00 0.00 H new ATOM 643 N LEU A 44 -4.813 -3.386 3.200 1.00 0.00 N ATOM 644 CA LEU A 44 -4.560 -4.708 2.606 1.00 0.00 C ATOM 645 C LEU A 44 -5.741 -5.602 2.897 1.00 0.00 C ATOM 646 O LEU A 44 -6.042 -6.520 2.160 1.00 0.00 O ATOM 647 CB LEU A 44 -3.308 -5.236 3.256 1.00 0.00 C ATOM 648 CG LEU A 44 -2.818 -6.392 2.404 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.319 -6.280 2.172 1.00 0.00 C ATOM 650 CD2 LEU A 44 -3.152 -7.699 3.105 1.00 0.00 C ATOM 0 H LEU A 44 -4.099 -3.055 3.849 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.431 -4.661 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.549 -4.456 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.513 -5.567 4.274 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.312 -6.365 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.982 -7.116 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.099 -5.343 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.800 -6.300 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.803 -8.536 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.661 -7.726 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.231 -7.774 3.241 1.00 0.00 H new ATOM 662 N ASP A 45 -6.445 -5.313 3.947 1.00 0.00 N ATOM 663 CA ASP A 45 -7.638 -6.118 4.254 1.00 0.00 C ATOM 664 C ASP A 45 -8.583 -5.997 3.061 1.00 0.00 C ATOM 665 O ASP A 45 -9.410 -6.849 2.807 1.00 0.00 O ATOM 666 CB ASP A 45 -8.194 -5.505 5.559 1.00 0.00 C ATOM 667 CG ASP A 45 -9.439 -4.655 5.277 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.283 -3.566 4.750 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.526 -5.110 5.595 1.00 0.00 O ATOM 0 H ASP A 45 -6.243 -4.556 4.601 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.463 -7.183 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.443 -6.300 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.428 -4.890 6.032 1.00 0.00 H new ATOM 674 N THR A 46 -8.409 -4.955 2.298 1.00 0.00 N ATOM 675 CA THR A 46 -9.223 -4.774 1.082 1.00 0.00 C ATOM 676 C THR A 46 -8.426 -5.321 -0.096 1.00 0.00 C ATOM 677 O THR A 46 -8.966 -5.661 -1.130 1.00 0.00 O ATOM 678 CB THR A 46 -9.453 -3.254 0.958 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.715 -3.023 0.348 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.349 -2.601 0.105 1.00 0.00 C ATOM 0 H THR A 46 -7.728 -4.217 2.474 1.00 0.00 H new ATOM 0 HA THR A 46 -10.180 -5.295 1.112 1.00 0.00 H new ATOM 0 HB THR A 46 -9.428 -2.813 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.868 -2.058 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.532 -1.529 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.379 -2.772 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.353 -3.039 -0.893 1.00 0.00 H new ATOM 688 N ILE A 47 -7.132 -5.411 0.066 1.00 0.00 N ATOM 689 CA ILE A 47 -6.288 -5.932 -1.017 1.00 0.00 C ATOM 690 C ILE A 47 -6.333 -7.460 -1.020 1.00 0.00 C ATOM 691 O ILE A 47 -5.950 -8.100 -1.977 1.00 0.00 O ATOM 692 CB ILE A 47 -4.911 -5.396 -0.728 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.036 -3.903 -0.458 1.00 0.00 C ATOM 694 CG2 ILE A 47 -4.057 -5.586 -1.970 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.852 -3.255 -1.569 1.00 0.00 C ATOM 0 H ILE A 47 -6.632 -5.141 0.913 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.620 -5.623 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.466 -5.908 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.516 -3.735 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.047 -3.448 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.053 -5.204 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.002 -6.647 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.502 -5.044 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.943 -2.186 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.353 -3.411 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.845 -3.704 -1.600 1.00 0.00 H new ATOM 707 N GLN A 48 -6.822 -8.068 0.035 1.00 0.00 N ATOM 708 CA GLN A 48 -6.918 -9.546 0.024 1.00 0.00 C ATOM 709 C GLN A 48 -8.310 -9.945 -0.468 1.00 0.00 C ATOM 710 O GLN A 48 -8.577 -11.098 -0.740 1.00 0.00 O ATOM 711 CB GLN A 48 -6.677 -10.013 1.449 1.00 0.00 C ATOM 712 CG GLN A 48 -5.856 -11.309 1.417 1.00 0.00 C ATOM 713 CD GLN A 48 -4.360 -10.981 1.461 1.00 0.00 C ATOM 714 OE1 GLN A 48 -3.860 -10.527 2.471 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.611 -11.194 0.405 1.00 0.00 N ATOM 0 H GLN A 48 -7.151 -7.608 0.884 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.186 -10.004 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.147 -9.245 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.627 -10.181 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.124 -11.940 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.087 -11.874 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.025 -11.575 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.614 -10.979 0.435 1.00 0.00 H new ATOM 724 N TYR A 49 -9.187 -8.979 -0.610 1.00 0.00 N ATOM 725 CA TYR A 49 -10.562 -9.264 -1.111 1.00 0.00 C ATOM 726 C TYR A 49 -11.062 -10.616 -0.592 1.00 0.00 C ATOM 727 O TYR A 49 -11.717 -11.358 -1.296 1.00 0.00 O ATOM 728 CB TYR A 49 -10.408 -9.290 -2.632 1.00 0.00 C ATOM 729 CG TYR A 49 -9.665 -8.055 -3.092 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.265 -8.031 -3.058 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.371 -6.938 -3.554 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.568 -6.887 -3.483 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.677 -5.798 -3.979 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.278 -5.771 -3.941 1.00 0.00 C ATOM 735 OH TYR A 49 -7.598 -4.646 -4.361 1.00 0.00 O ATOM 0 H TYR A 49 -9.004 -7.998 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.289 -8.524 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.867 -10.186 -2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.389 -9.333 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.720 -8.894 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.450 -6.955 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.488 -6.869 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.223 -4.938 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.240 -3.964 -4.648 1.00 0.00 H new ATOM 745 N SER A 50 -10.756 -10.943 0.634 1.00 0.00 N ATOM 746 CA SER A 50 -11.213 -12.247 1.194 1.00 0.00 C ATOM 747 C SER A 50 -12.736 -12.254 1.348 1.00 0.00 C ATOM 748 O SER A 50 -13.429 -13.031 0.723 1.00 0.00 O ATOM 749 CB SER A 50 -10.533 -12.355 2.558 1.00 0.00 C ATOM 750 OG SER A 50 -10.814 -13.628 3.122 1.00 0.00 O ATOM 0 H SER A 50 -10.210 -10.364 1.272 1.00 0.00 H new ATOM 0 HA SER A 50 -10.958 -13.086 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.456 -12.221 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.890 -11.565 3.219 1.00 0.00 H new ATOM 0 HG SER A 50 -10.378 -13.702 3.997 1.00 0.00 H new ATOM 756 N LYS A 51 -13.262 -11.396 2.179 1.00 0.00 N ATOM 757 CA LYS A 51 -14.741 -11.356 2.373 1.00 0.00 C ATOM 758 C LYS A 51 -15.401 -10.537 1.260 1.00 0.00 C ATOM 759 O LYS A 51 -14.815 -9.623 0.715 1.00 0.00 O ATOM 760 CB LYS A 51 -14.945 -10.681 3.729 1.00 0.00 C ATOM 761 CG LYS A 51 -14.317 -11.544 4.827 1.00 0.00 C ATOM 762 CD LYS A 51 -13.065 -10.852 5.368 1.00 0.00 C ATOM 763 CE LYS A 51 -12.677 -11.471 6.712 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.231 -11.152 6.877 1.00 0.00 N ATOM 0 H LYS A 51 -12.733 -10.721 2.732 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.188 -12.350 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.491 -9.690 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.009 -10.544 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.034 -11.704 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.060 -12.526 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.244 -10.956 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.250 -9.785 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.269 -11.052 7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.847 -12.548 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.890 -11.544 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.692 -11.569 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.101 -10.120 6.877 1.00 0.00 H new ATOM 778 N HIS A 52 -16.618 -10.862 0.917 1.00 0.00 N ATOM 779 CA HIS A 52 -17.317 -10.105 -0.162 1.00 0.00 C ATOM 780 C HIS A 52 -18.812 -10.437 -0.158 1.00 0.00 C ATOM 781 O HIS A 52 -19.570 -9.675 -0.735 1.00 0.00 O ATOM 782 CB HIS A 52 -16.667 -10.581 -1.460 1.00 0.00 C ATOM 783 CG HIS A 52 -16.759 -12.079 -1.545 1.00 0.00 C ATOM 784 ND1 HIS A 52 -17.559 -12.720 -2.478 1.00 0.00 N ATOM 785 CD2 HIS A 52 -16.160 -13.077 -0.816 1.00 0.00 C ATOM 786 CE1 HIS A 52 -17.422 -14.046 -2.288 1.00 0.00 C ATOM 787 NE2 HIS A 52 -16.580 -14.317 -1.288 1.00 0.00 N ATOM 788 OXT HIS A 52 -19.173 -11.450 0.419 1.00 0.00 O ATOM 0 H HIS A 52 -17.159 -11.618 1.337 1.00 0.00 H new ATOM 0 HA HIS A 52 -17.231 -9.026 -0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -17.164 -10.126 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -15.624 -10.267 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -15.469 -12.923 -0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -17.931 -14.798 -2.873 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -16.304 -15.236 -0.944 1.00 0.00 H new TER 796 HIS A 52