USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 120:sc= -3.91! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.11! C(o=-5.1!,f=-5.2!) USER MOD Single : A 17 MET CE :methyl -129:sc= -8.94! (180deg=-15.1!) USER MOD Single : A 19 SER OG : rot -56:sc= 0.0163 USER MOD Single : A 20 MET CE :methyl 143:sc= -0.123 (180deg=-1.59) 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 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -143:sc= -8.37! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.62) USER MOD Single : A 38 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.84! C(o=-2.8!,f=-4.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0029 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.868 21.346 6.518 1.00 0.00 N ATOM 2 CA GLY A 1 10.498 21.441 5.938 1.00 0.00 C ATOM 3 C GLY A 1 9.685 20.210 6.342 1.00 0.00 C ATOM 4 O GLY A 1 8.758 20.294 7.123 1.00 0.00 O ATOM 0 H1 GLY A 1 12.420 22.183 6.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.804 21.299 7.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.337 20.489 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.005 22.347 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.556 21.511 4.852 1.00 0.00 H new ATOM 10 N SER A 2 10.026 19.064 5.817 1.00 0.00 N ATOM 11 CA SER A 2 9.274 17.827 6.172 1.00 0.00 C ATOM 12 C SER A 2 10.244 16.736 6.632 1.00 0.00 C ATOM 13 O SER A 2 11.358 16.653 6.152 1.00 0.00 O ATOM 14 CB SER A 2 8.569 17.408 4.882 1.00 0.00 C ATOM 15 OG SER A 2 7.181 17.690 4.992 1.00 0.00 O ATOM 0 H SER A 2 10.793 18.931 5.158 1.00 0.00 H new ATOM 0 HA SER A 2 8.568 17.991 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.994 17.942 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.722 16.344 4.699 1.00 0.00 H new ATOM 0 HG SER A 2 6.727 17.424 4.165 1.00 0.00 H new ATOM 21 N PRO A 3 9.785 15.933 7.553 1.00 0.00 N ATOM 22 CA PRO A 3 10.621 14.830 8.089 1.00 0.00 C ATOM 23 C PRO A 3 10.787 13.729 7.039 1.00 0.00 C ATOM 24 O PRO A 3 9.973 13.594 6.146 1.00 0.00 O ATOM 25 CB PRO A 3 9.821 14.326 9.287 1.00 0.00 C ATOM 26 CG PRO A 3 8.406 14.707 8.991 1.00 0.00 C ATOM 27 CD PRO A 3 8.457 15.973 8.175 1.00 0.00 C ATOM 0 HA PRO A 3 11.629 15.145 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.923 13.247 9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.168 14.783 10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.899 13.914 8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.847 14.864 9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.665 15.999 7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.334 16.857 8.800 1.00 0.00 H new ATOM 35 N PRO A 4 11.843 12.976 7.184 1.00 0.00 N ATOM 36 CA PRO A 4 12.127 11.870 6.237 1.00 0.00 C ATOM 37 C PRO A 4 11.195 10.682 6.501 1.00 0.00 C ATOM 38 O PRO A 4 11.301 9.648 5.871 1.00 0.00 O ATOM 39 CB PRO A 4 13.574 11.500 6.543 1.00 0.00 C ATOM 40 CG PRO A 4 13.798 11.932 7.959 1.00 0.00 C ATOM 41 CD PRO A 4 12.863 13.084 8.232 1.00 0.00 C ATOM 0 HA PRO A 4 11.973 12.150 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.740 10.429 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.262 12.004 5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.604 11.109 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.834 12.235 8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.422 13.012 9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.384 14.040 8.183 1.00 0.00 H new ATOM 49 N GLU A 5 10.285 10.819 7.427 1.00 0.00 N ATOM 50 CA GLU A 5 9.354 9.694 7.727 1.00 0.00 C ATOM 51 C GLU A 5 8.087 9.799 6.874 1.00 0.00 C ATOM 52 O GLU A 5 7.038 9.309 7.244 1.00 0.00 O ATOM 53 CB GLU A 5 9.015 9.843 9.199 1.00 0.00 C ATOM 54 CG GLU A 5 9.463 8.591 9.957 1.00 0.00 C ATOM 55 CD GLU A 5 10.245 9.003 11.206 1.00 0.00 C ATOM 56 OE1 GLU A 5 11.429 9.269 11.079 1.00 0.00 O ATOM 57 OE2 GLU A 5 9.646 9.045 12.268 1.00 0.00 O ATOM 0 H GLU A 5 10.146 11.660 7.988 1.00 0.00 H new ATOM 0 HA GLU A 5 9.802 8.726 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.508 10.725 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.942 9.991 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.596 7.994 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.085 7.967 9.315 1.00 0.00 H new ATOM 64 N ALA A 6 8.174 10.430 5.736 1.00 0.00 N ATOM 65 CA ALA A 6 6.969 10.557 4.867 1.00 0.00 C ATOM 66 C ALA A 6 7.373 10.542 3.399 1.00 0.00 C ATOM 67 O ALA A 6 7.435 11.562 2.741 1.00 0.00 O ATOM 68 CB ALA A 6 6.353 11.895 5.221 1.00 0.00 C ATOM 0 H ALA A 6 9.023 10.862 5.371 1.00 0.00 H new ATOM 0 HA ALA A 6 6.272 9.733 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.459 12.055 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.084 11.904 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.072 12.690 5.023 1.00 0.00 H new ATOM 74 N ASP A 7 7.638 9.383 2.891 1.00 0.00 N ATOM 75 CA ASP A 7 8.036 9.245 1.459 1.00 0.00 C ATOM 76 C ASP A 7 8.642 7.859 1.211 1.00 0.00 C ATOM 77 O ASP A 7 8.135 7.096 0.413 1.00 0.00 O ATOM 78 CB ASP A 7 9.083 10.336 1.213 1.00 0.00 C ATOM 79 CG ASP A 7 8.473 11.443 0.352 1.00 0.00 C ATOM 80 OD1 ASP A 7 7.263 11.443 0.193 1.00 0.00 O ATOM 81 OD2 ASP A 7 9.226 12.271 -0.134 1.00 0.00 O ATOM 0 H ASP A 7 7.597 8.505 3.409 1.00 0.00 H new ATOM 0 HA ASP A 7 7.182 9.350 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.426 10.747 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.955 9.912 0.715 1.00 0.00 H new ATOM 86 N PRO A 8 9.711 7.583 1.908 1.00 0.00 N ATOM 87 CA PRO A 8 10.397 6.276 1.763 1.00 0.00 C ATOM 88 C PRO A 8 9.577 5.166 2.422 1.00 0.00 C ATOM 89 O PRO A 8 9.740 4.001 2.119 1.00 0.00 O ATOM 90 CB PRO A 8 11.719 6.484 2.498 1.00 0.00 C ATOM 91 CG PRO A 8 11.448 7.578 3.481 1.00 0.00 C ATOM 92 CD PRO A 8 10.374 8.452 2.886 1.00 0.00 C ATOM 0 HA PRO A 8 10.534 5.976 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.038 5.571 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.515 6.762 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.124 7.166 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.352 8.156 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.676 8.801 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.797 9.337 2.411 1.00 0.00 H new ATOM 100 N ARG A 9 8.694 5.514 3.317 1.00 0.00 N ATOM 101 CA ARG A 9 7.871 4.469 3.981 1.00 0.00 C ATOM 102 C ARG A 9 6.851 3.904 2.993 1.00 0.00 C ATOM 103 O ARG A 9 6.238 2.882 3.229 1.00 0.00 O ATOM 104 CB ARG A 9 7.184 5.175 5.136 1.00 0.00 C ATOM 105 CG ARG A 9 7.889 4.819 6.446 1.00 0.00 C ATOM 106 CD ARG A 9 6.893 4.916 7.603 1.00 0.00 C ATOM 107 NE ARG A 9 7.685 5.449 8.746 1.00 0.00 N ATOM 108 CZ ARG A 9 7.487 4.981 9.948 1.00 0.00 C ATOM 109 NH1 ARG A 9 6.310 5.079 10.501 1.00 0.00 N ATOM 110 NH2 ARG A 9 8.468 4.416 10.597 1.00 0.00 N ATOM 0 H ARG A 9 8.509 6.472 3.615 1.00 0.00 H new ATOM 0 HA ARG A 9 8.468 3.627 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.206 6.254 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.136 4.881 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.299 3.811 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.727 5.495 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.063 5.577 7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.465 3.942 7.839 1.00 0.00 H new ATOM 0 HE ARG A 9 8.381 6.178 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.544 5.522 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.156 4.713 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.389 4.340 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.314 4.050 11.537 1.00 0.00 H new ATOM 124 N LEU A 10 6.684 4.555 1.875 1.00 0.00 N ATOM 125 CA LEU A 10 5.724 4.047 0.853 1.00 0.00 C ATOM 126 C LEU A 10 6.313 2.794 0.207 1.00 0.00 C ATOM 127 O LEU A 10 5.605 1.888 -0.186 1.00 0.00 O ATOM 128 CB LEU A 10 5.582 5.186 -0.172 1.00 0.00 C ATOM 129 CG LEU A 10 5.241 4.621 -1.553 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.225 5.533 -2.242 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.513 4.546 -2.401 1.00 0.00 C ATOM 0 H LEU A 10 7.170 5.416 1.624 1.00 0.00 H new ATOM 0 HA LEU A 10 4.754 3.777 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.802 5.877 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.510 5.755 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 10 4.817 3.623 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.983 5.130 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.319 5.589 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.649 6.531 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.271 4.144 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.936 5.544 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.239 3.896 -1.912 1.00 0.00 H new ATOM 143 N ILE A 11 7.613 2.735 0.109 1.00 0.00 N ATOM 144 CA ILE A 11 8.265 1.547 -0.494 1.00 0.00 C ATOM 145 C ILE A 11 8.305 0.418 0.542 1.00 0.00 C ATOM 146 O ILE A 11 7.916 -0.700 0.269 1.00 0.00 O ATOM 147 CB ILE A 11 9.671 2.040 -0.881 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.708 2.318 -2.386 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.732 0.990 -0.538 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.494 1.012 -3.153 1.00 0.00 C ATOM 0 H ILE A 11 8.252 3.465 0.424 1.00 0.00 H new ATOM 0 HA ILE A 11 7.743 1.145 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 11 9.888 2.950 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.935 3.039 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.665 2.761 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.717 1.362 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.714 0.791 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.522 0.069 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.520 1.211 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.283 0.305 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.526 0.588 -2.886 1.00 0.00 H new ATOM 162 N GLU A 12 8.762 0.703 1.732 1.00 0.00 N ATOM 163 CA GLU A 12 8.807 -0.356 2.772 1.00 0.00 C ATOM 164 C GLU A 12 7.490 -1.127 2.767 1.00 0.00 C ATOM 165 O GLU A 12 7.456 -2.309 2.487 1.00 0.00 O ATOM 166 CB GLU A 12 9.005 0.375 4.089 1.00 0.00 C ATOM 167 CG GLU A 12 10.296 -0.105 4.754 1.00 0.00 C ATOM 168 CD GLU A 12 10.565 0.725 6.011 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.767 1.602 6.299 1.00 0.00 O ATOM 170 OE2 GLU A 12 11.563 0.468 6.665 1.00 0.00 O ATOM 0 H GLU A 12 9.103 1.619 2.024 1.00 0.00 H new ATOM 0 HA GLU A 12 9.606 -1.078 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.051 1.450 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.156 0.194 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.213 -1.160 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.131 -0.013 4.059 1.00 0.00 H new ATOM 177 N SER A 13 6.400 -0.468 3.048 1.00 0.00 N ATOM 178 CA SER A 13 5.103 -1.171 3.024 1.00 0.00 C ATOM 179 C SER A 13 4.970 -1.892 1.687 1.00 0.00 C ATOM 180 O SER A 13 4.650 -3.063 1.630 1.00 0.00 O ATOM 181 CB SER A 13 4.053 -0.072 3.167 1.00 0.00 C ATOM 182 OG SER A 13 3.593 -0.032 4.511 1.00 0.00 O ATOM 0 H SER A 13 6.359 0.522 3.291 1.00 0.00 H new ATOM 0 HA SER A 13 4.996 -1.915 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.479 0.892 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.219 -0.260 2.491 1.00 0.00 H new ATOM 0 HG SER A 13 3.780 0.850 4.894 1.00 0.00 H new ATOM 188 N LEU A 14 5.241 -1.209 0.606 1.00 0.00 N ATOM 189 CA LEU A 14 5.154 -1.878 -0.720 1.00 0.00 C ATOM 190 C LEU A 14 5.961 -3.176 -0.685 1.00 0.00 C ATOM 191 O LEU A 14 5.602 -4.158 -1.301 1.00 0.00 O ATOM 192 CB LEU A 14 5.771 -0.889 -1.710 1.00 0.00 C ATOM 193 CG LEU A 14 4.701 -0.410 -2.691 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.252 -1.578 -3.570 1.00 0.00 C ATOM 195 CD2 LEU A 14 3.503 0.130 -1.909 1.00 0.00 C ATOM 0 H LEU A 14 5.516 -0.227 0.585 1.00 0.00 H new ATOM 0 HA LEU A 14 4.131 -2.134 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.194 -0.039 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.589 -1.364 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 14 5.112 0.379 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.489 -1.235 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.106 -1.964 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.840 -2.368 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.738 0.472 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.093 -0.660 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.823 0.963 -1.283 1.00 0.00 H new ATOM 207 N SER A 15 7.051 -3.190 0.035 1.00 0.00 N ATOM 208 CA SER A 15 7.867 -4.427 0.108 1.00 0.00 C ATOM 209 C SER A 15 7.034 -5.568 0.689 1.00 0.00 C ATOM 210 O SER A 15 6.960 -6.641 0.126 1.00 0.00 O ATOM 211 CB SER A 15 9.034 -4.082 1.033 1.00 0.00 C ATOM 212 OG SER A 15 10.001 -5.123 0.976 1.00 0.00 O ATOM 0 H SER A 15 7.407 -2.399 0.572 1.00 0.00 H new ATOM 0 HA SER A 15 8.214 -4.754 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.483 -3.135 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.678 -3.956 2.055 1.00 0.00 H new ATOM 0 HG SER A 15 10.752 -4.905 1.567 1.00 0.00 H new ATOM 218 N GLN A 16 6.403 -5.353 1.810 1.00 0.00 N ATOM 219 CA GLN A 16 5.584 -6.428 2.409 1.00 0.00 C ATOM 220 C GLN A 16 4.494 -6.861 1.433 1.00 0.00 C ATOM 221 O GLN A 16 4.010 -7.974 1.489 1.00 0.00 O ATOM 222 CB GLN A 16 5.004 -5.806 3.683 1.00 0.00 C ATOM 223 CG GLN A 16 3.715 -5.043 3.364 1.00 0.00 C ATOM 224 CD GLN A 16 2.506 -5.906 3.732 1.00 0.00 C ATOM 225 OE1 GLN A 16 2.619 -6.826 4.518 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.346 -5.647 3.192 1.00 0.00 N ATOM 0 H GLN A 16 6.423 -4.477 2.333 1.00 0.00 H new ATOM 0 HA GLN A 16 6.155 -7.328 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.801 -6.586 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.733 -5.130 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.688 -4.105 3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.684 -4.787 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.252 -4.875 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.534 -6.217 3.430 1.00 0.00 H new ATOM 235 N MET A 17 4.117 -6.009 0.523 1.00 0.00 N ATOM 236 CA MET A 17 3.083 -6.414 -0.452 1.00 0.00 C ATOM 237 C MET A 17 3.697 -7.429 -1.409 1.00 0.00 C ATOM 238 O MET A 17 3.033 -8.320 -1.899 1.00 0.00 O ATOM 239 CB MET A 17 2.700 -5.138 -1.186 1.00 0.00 C ATOM 240 CG MET A 17 1.781 -5.495 -2.353 1.00 0.00 C ATOM 241 SD MET A 17 2.755 -5.959 -3.815 1.00 0.00 S ATOM 242 CE MET A 17 3.935 -4.585 -3.808 1.00 0.00 C ATOM 0 H MET A 17 4.478 -5.061 0.416 1.00 0.00 H new ATOM 0 HA MET A 17 2.209 -6.873 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.197 -4.449 -0.507 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.593 -4.631 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.127 -6.319 -2.069 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.140 -4.646 -2.591 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.965 -4.126 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.625 -3.843 -3.073 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.926 -4.958 -3.551 1.00 0.00 H new ATOM 252 N LEU A 18 4.973 -7.306 -1.669 1.00 0.00 N ATOM 253 CA LEU A 18 5.630 -8.275 -2.582 1.00 0.00 C ATOM 254 C LEU A 18 5.367 -9.685 -2.075 1.00 0.00 C ATOM 255 O LEU A 18 5.334 -10.637 -2.829 1.00 0.00 O ATOM 256 CB LEU A 18 7.123 -7.943 -2.528 1.00 0.00 C ATOM 257 CG LEU A 18 7.917 -9.061 -3.207 1.00 0.00 C ATOM 258 CD1 LEU A 18 7.513 -9.155 -4.680 1.00 0.00 C ATOM 259 CD2 LEU A 18 9.413 -8.754 -3.109 1.00 0.00 C ATOM 0 H LEU A 18 5.581 -6.580 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 18 5.256 -8.216 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.314 -6.992 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.445 -7.831 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 18 7.705 -10.008 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.079 -9.952 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.447 -9.372 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.724 -8.208 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.980 -9.550 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.623 -7.806 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.703 -8.687 -2.060 1.00 0.00 H new ATOM 271 N SER A 19 5.163 -9.820 -0.797 1.00 0.00 N ATOM 272 CA SER A 19 4.884 -11.170 -0.232 1.00 0.00 C ATOM 273 C SER A 19 3.376 -11.352 -0.039 1.00 0.00 C ATOM 274 O SER A 19 2.926 -11.872 0.962 1.00 0.00 O ATOM 275 CB SER A 19 5.610 -11.201 1.112 1.00 0.00 C ATOM 276 OG SER A 19 5.759 -12.550 1.534 1.00 0.00 O ATOM 0 H SER A 19 5.177 -9.058 -0.119 1.00 0.00 H new ATOM 0 HA SER A 19 5.221 -11.973 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.587 -10.726 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.048 -10.635 1.855 1.00 0.00 H new ATOM 0 HG SER A 19 4.880 -12.982 1.567 1.00 0.00 H new ATOM 282 N MET A 20 2.595 -10.925 -0.993 1.00 0.00 N ATOM 283 CA MET A 20 1.117 -11.070 -0.866 1.00 0.00 C ATOM 284 C MET A 20 0.496 -11.518 -2.187 1.00 0.00 C ATOM 285 O MET A 20 -0.153 -12.541 -2.274 1.00 0.00 O ATOM 286 CB MET A 20 0.616 -9.680 -0.494 1.00 0.00 C ATOM 287 CG MET A 20 -0.518 -9.788 0.528 1.00 0.00 C ATOM 288 SD MET A 20 0.063 -10.670 1.999 1.00 0.00 S ATOM 289 CE MET A 20 1.244 -9.419 2.562 1.00 0.00 C ATOM 0 H MET A 20 2.916 -10.482 -1.854 1.00 0.00 H new ATOM 0 HA MET A 20 0.848 -11.822 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.433 -9.088 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.265 -9.160 -1.386 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.867 -8.793 0.804 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.366 -10.313 0.089 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.235 -9.374 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.244 -9.682 2.218 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.965 -8.447 2.156 1.00 0.00 H new ATOM 299 N GLY A 21 0.667 -10.733 -3.200 1.00 0.00 N ATOM 300 CA GLY A 21 0.074 -11.049 -4.518 1.00 0.00 C ATOM 301 C GLY A 21 -0.936 -9.956 -4.798 1.00 0.00 C ATOM 302 O GLY A 21 -2.064 -10.191 -5.181 1.00 0.00 O ATOM 0 H GLY A 21 1.204 -9.866 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.840 -11.079 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.405 -12.028 -4.505 1.00 0.00 H new ATOM 306 N PHE A 22 -0.527 -8.759 -4.531 1.00 0.00 N ATOM 307 CA PHE A 22 -1.416 -7.591 -4.680 1.00 0.00 C ATOM 308 C PHE A 22 -1.551 -7.111 -6.116 1.00 0.00 C ATOM 309 O PHE A 22 -0.636 -7.157 -6.913 1.00 0.00 O ATOM 310 CB PHE A 22 -0.753 -6.531 -3.813 1.00 0.00 C ATOM 311 CG PHE A 22 -1.241 -6.669 -2.391 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.953 -7.810 -1.993 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.992 -5.649 -1.473 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.418 -7.919 -0.685 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.461 -5.757 -0.165 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.174 -6.894 0.226 1.00 0.00 C ATOM 0 H PHE A 22 0.414 -8.536 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.438 -7.829 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.331 -6.641 -3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.985 -5.536 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.141 -8.604 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.435 -4.775 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.967 -8.797 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.274 -4.964 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.537 -6.978 1.240 1.00 0.00 H new ATOM 326 N SER A 23 -2.720 -6.636 -6.417 1.00 0.00 N ATOM 327 CA SER A 23 -3.026 -6.110 -7.766 1.00 0.00 C ATOM 328 C SER A 23 -2.518 -4.676 -7.904 1.00 0.00 C ATOM 329 O SER A 23 -1.522 -4.297 -7.321 1.00 0.00 O ATOM 330 CB SER A 23 -4.551 -6.125 -7.843 1.00 0.00 C ATOM 331 OG SER A 23 -4.959 -6.743 -9.057 1.00 0.00 O ATOM 0 H SER A 23 -3.500 -6.590 -5.762 1.00 0.00 H new ATOM 0 HA SER A 23 -2.556 -6.697 -8.555 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.963 -6.666 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.938 -5.107 -7.793 1.00 0.00 H new ATOM 0 HG SER A 23 -5.938 -6.754 -9.106 1.00 0.00 H new ATOM 337 N ASP A 24 -3.209 -3.874 -8.666 1.00 0.00 N ATOM 338 CA ASP A 24 -2.788 -2.460 -8.841 1.00 0.00 C ATOM 339 C ASP A 24 -3.951 -1.639 -9.399 1.00 0.00 C ATOM 340 O ASP A 24 -3.758 -0.717 -10.163 1.00 0.00 O ATOM 341 CB ASP A 24 -1.640 -2.515 -9.842 1.00 0.00 C ATOM 342 CG ASP A 24 -0.478 -1.656 -9.340 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.743 -0.601 -8.788 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.657 -2.069 -9.515 1.00 0.00 O ATOM 0 H ASP A 24 -4.051 -4.141 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.486 -1.992 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.311 -3.545 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.976 -2.157 -10.815 1.00 0.00 H new ATOM 349 N GLU A 25 -5.159 -1.966 -9.024 1.00 0.00 N ATOM 350 CA GLU A 25 -6.326 -1.194 -9.537 1.00 0.00 C ATOM 351 C GLU A 25 -6.015 0.302 -9.464 1.00 0.00 C ATOM 352 O GLU A 25 -5.476 0.782 -8.488 1.00 0.00 O ATOM 353 CB GLU A 25 -7.483 -1.551 -8.602 1.00 0.00 C ATOM 354 CG GLU A 25 -8.129 -2.859 -9.063 1.00 0.00 C ATOM 355 CD GLU A 25 -9.644 -2.777 -8.869 1.00 0.00 C ATOM 356 OE1 GLU A 25 -10.145 -1.673 -8.726 1.00 0.00 O ATOM 357 OE2 GLU A 25 -10.279 -3.819 -8.866 1.00 0.00 O ATOM 0 H GLU A 25 -5.387 -2.730 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.564 -1.428 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.119 -1.654 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.222 -0.750 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.896 -3.042 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.724 -3.697 -8.495 1.00 0.00 H new ATOM 364 N GLY A 26 -6.332 1.042 -10.490 1.00 0.00 N ATOM 365 CA GLY A 26 -6.028 2.498 -10.461 1.00 0.00 C ATOM 366 C GLY A 26 -4.586 2.679 -9.987 1.00 0.00 C ATOM 367 O GLY A 26 -4.224 3.693 -9.425 1.00 0.00 O ATOM 0 H GLY A 26 -6.784 0.705 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.159 2.933 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.715 3.016 -9.792 1.00 0.00 H new ATOM 371 N GLY A 27 -3.763 1.688 -10.208 1.00 0.00 N ATOM 372 CA GLY A 27 -2.346 1.775 -9.775 1.00 0.00 C ATOM 373 C GLY A 27 -2.285 2.175 -8.302 1.00 0.00 C ATOM 374 O GLY A 27 -1.685 3.171 -7.948 1.00 0.00 O ATOM 0 H GLY A 27 -4.018 0.817 -10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.850 0.816 -9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.813 2.506 -10.383 1.00 0.00 H new ATOM 378 N TRP A 28 -2.909 1.420 -7.436 1.00 0.00 N ATOM 379 CA TRP A 28 -2.885 1.780 -6.002 1.00 0.00 C ATOM 380 C TRP A 28 -1.663 1.189 -5.301 1.00 0.00 C ATOM 381 O TRP A 28 -1.246 1.681 -4.273 1.00 0.00 O ATOM 382 CB TRP A 28 -4.182 1.214 -5.431 1.00 0.00 C ATOM 383 CG TRP A 28 -4.185 -0.274 -5.470 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.990 -1.015 -6.247 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.401 -1.206 -4.699 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.724 -2.355 -6.024 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.755 -2.520 -5.076 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.422 -1.043 -3.731 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.155 -3.628 -4.506 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.821 -2.145 -3.150 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.182 -3.440 -3.533 1.00 0.00 C ATOM 0 H TRP A 28 -3.430 0.574 -7.666 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.814 2.858 -5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.308 1.553 -4.403 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.030 1.597 -5.999 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.727 -0.628 -6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.192 -3.122 -6.507 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.127 -0.049 -3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.439 -4.624 -4.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.065 -2.003 -2.392 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.705 -4.293 -3.073 1.00 0.00 H new ATOM 402 N LEU A 29 -1.069 0.151 -5.823 1.00 0.00 N ATOM 403 CA LEU A 29 0.125 -0.403 -5.130 1.00 0.00 C ATOM 404 C LEU A 29 1.069 0.748 -4.792 1.00 0.00 C ATOM 405 O LEU A 29 1.767 0.730 -3.799 1.00 0.00 O ATOM 406 CB LEU A 29 0.768 -1.382 -6.116 1.00 0.00 C ATOM 407 CG LEU A 29 0.683 -2.809 -5.554 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.633 -3.728 -6.320 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.084 -2.816 -4.079 1.00 0.00 C ATOM 0 H LEU A 29 -1.351 -0.327 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.122 -0.913 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.261 -1.329 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.809 -1.109 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.343 -3.162 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.567 -4.738 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.356 -3.740 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.655 -3.362 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.021 -3.832 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.106 -2.452 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.411 -2.169 -3.516 1.00 0.00 H new ATOM 421 N THR A 30 1.065 1.768 -5.607 1.00 0.00 N ATOM 422 CA THR A 30 1.926 2.950 -5.337 1.00 0.00 C ATOM 423 C THR A 30 1.076 4.076 -4.737 1.00 0.00 C ATOM 424 O THR A 30 1.579 4.963 -4.075 1.00 0.00 O ATOM 425 CB THR A 30 2.480 3.356 -6.703 1.00 0.00 C ATOM 426 OG1 THR A 30 3.370 2.351 -7.169 1.00 0.00 O ATOM 427 CG2 THR A 30 3.228 4.684 -6.580 1.00 0.00 C ATOM 0 H THR A 30 0.498 1.831 -6.453 1.00 0.00 H new ATOM 0 HA THR A 30 2.726 2.737 -4.628 1.00 0.00 H new ATOM 0 HB THR A 30 1.657 3.470 -7.409 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.725 2.609 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.622 4.971 -7.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.545 5.455 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.051 4.574 -5.874 1.00 0.00 H new ATOM 435 N ARG A 31 -0.213 4.049 -4.973 1.00 0.00 N ATOM 436 CA ARG A 31 -1.102 5.117 -4.424 1.00 0.00 C ATOM 437 C ARG A 31 -1.825 4.633 -3.164 1.00 0.00 C ATOM 438 O ARG A 31 -1.825 5.316 -2.163 1.00 0.00 O ATOM 439 CB ARG A 31 -2.106 5.414 -5.538 1.00 0.00 C ATOM 440 CG ARG A 31 -2.726 6.794 -5.308 1.00 0.00 C ATOM 441 CD ARG A 31 -2.775 7.561 -6.632 1.00 0.00 C ATOM 442 NE ARG A 31 -3.841 6.888 -7.427 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.046 7.388 -7.458 1.00 0.00 C ATOM 444 NH1 ARG A 31 -5.234 8.615 -7.862 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.064 6.660 -7.087 1.00 0.00 N ATOM 0 H ARG A 31 -0.687 3.332 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.537 6.003 -4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.610 5.383 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.885 4.651 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.731 6.689 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.140 7.350 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.008 8.613 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.815 7.522 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.629 6.037 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.439 9.183 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.176 9.005 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.917 5.701 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.006 7.050 -7.111 1.00 0.00 H new ATOM 459 N LEU A 32 -2.446 3.468 -3.210 1.00 0.00 N ATOM 460 CA LEU A 32 -3.177 2.942 -2.006 1.00 0.00 C ATOM 461 C LEU A 32 -2.480 3.421 -0.734 1.00 0.00 C ATOM 462 O LEU A 32 -3.001 4.208 0.030 1.00 0.00 O ATOM 463 CB LEU A 32 -3.063 1.426 -2.074 1.00 0.00 C ATOM 464 CG LEU A 32 -3.785 0.809 -0.878 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.276 0.672 -1.194 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.197 -0.573 -0.593 1.00 0.00 C ATOM 0 H LEU A 32 -2.476 2.862 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.213 3.281 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.497 1.059 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.014 1.129 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.658 1.450 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.790 0.232 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.696 1.656 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.406 0.031 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.709 -1.018 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.327 -1.211 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.135 -0.477 -0.369 1.00 0.00 H new ATOM 478 N LEU A 33 -1.271 2.962 -0.541 1.00 0.00 N ATOM 479 CA LEU A 33 -0.471 3.386 0.636 1.00 0.00 C ATOM 480 C LEU A 33 -0.584 4.897 0.783 1.00 0.00 C ATOM 481 O LEU A 33 -0.949 5.416 1.820 1.00 0.00 O ATOM 482 CB LEU A 33 0.953 2.988 0.249 1.00 0.00 C ATOM 483 CG LEU A 33 1.349 1.707 0.977 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.416 0.561 -0.033 1.00 0.00 C ATOM 485 CD2 LEU A 33 2.721 1.896 1.626 1.00 0.00 C ATOM 0 H LEU A 33 -0.801 2.302 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.788 2.942 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.018 2.839 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.646 3.790 0.503 1.00 0.00 H new ATOM 0 HG LEU A 33 0.613 1.476 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.699 -0.359 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.440 0.431 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.157 0.793 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.006 0.982 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.460 2.121 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.676 2.720 2.338 1.00 0.00 H new ATOM 497 N GLN A 34 -0.275 5.602 -0.264 1.00 0.00 N ATOM 498 CA GLN A 34 -0.355 7.072 -0.239 1.00 0.00 C ATOM 499 C GLN A 34 -1.799 7.528 0.000 1.00 0.00 C ATOM 500 O GLN A 34 -2.043 8.532 0.640 1.00 0.00 O ATOM 501 CB GLN A 34 0.124 7.474 -1.628 1.00 0.00 C ATOM 502 CG GLN A 34 1.650 7.538 -1.641 1.00 0.00 C ATOM 503 CD GLN A 34 2.111 8.559 -2.683 1.00 0.00 C ATOM 504 OE1 GLN A 34 2.734 9.547 -2.350 1.00 0.00 O ATOM 505 NE2 GLN A 34 1.829 8.360 -3.941 1.00 0.00 N ATOM 0 H GLN A 34 0.035 5.207 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 34 0.236 7.523 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.227 6.755 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.294 8.443 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.021 7.817 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.063 6.556 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.306 7.530 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.132 9.034 -4.644 1.00 0.00 H new ATOM 514 N THR A 35 -2.760 6.803 -0.513 1.00 0.00 N ATOM 515 CA THR A 35 -4.179 7.199 -0.318 1.00 0.00 C ATOM 516 C THR A 35 -4.589 7.020 1.146 1.00 0.00 C ATOM 517 O THR A 35 -5.341 7.805 1.689 1.00 0.00 O ATOM 518 CB THR A 35 -4.989 6.268 -1.217 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.128 5.316 -1.824 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.693 7.087 -2.301 1.00 0.00 C ATOM 0 H THR A 35 -2.619 5.953 -1.059 1.00 0.00 H new ATOM 0 HA THR A 35 -4.344 8.247 -0.567 1.00 0.00 H new ATOM 0 HB THR A 35 -5.733 5.746 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.428 5.141 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.271 6.421 -2.942 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.361 7.811 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.950 7.613 -2.900 1.00 0.00 H new ATOM 528 N LYS A 36 -4.104 5.993 1.787 1.00 0.00 N ATOM 529 CA LYS A 36 -4.472 5.768 3.214 1.00 0.00 C ATOM 530 C LYS A 36 -3.221 5.811 4.096 1.00 0.00 C ATOM 531 O LYS A 36 -3.122 5.115 5.088 1.00 0.00 O ATOM 532 CB LYS A 36 -5.109 4.379 3.242 1.00 0.00 C ATOM 533 CG LYS A 36 -6.390 4.386 2.407 1.00 0.00 C ATOM 534 CD LYS A 36 -6.843 2.947 2.153 1.00 0.00 C ATOM 535 CE LYS A 36 -7.812 2.918 0.969 1.00 0.00 C ATOM 536 NZ LYS A 36 -8.843 1.910 1.341 1.00 0.00 N ATOM 0 H LYS A 36 -3.470 5.301 1.386 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.150 6.532 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.411 3.640 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.334 4.091 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.173 4.938 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.216 4.896 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.980 2.314 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.327 2.545 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.260 3.897 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.301 2.639 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.545 1.833 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.388 0.986 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.317 2.206 2.218 1.00 0.00 H new ATOM 550 N ASN A 37 -2.270 6.632 3.749 1.00 0.00 N ATOM 551 CA ASN A 37 -1.031 6.731 4.568 1.00 0.00 C ATOM 552 C ASN A 37 -0.471 5.339 4.879 1.00 0.00 C ATOM 553 O ASN A 37 -0.523 4.874 6.001 1.00 0.00 O ATOM 554 CB ASN A 37 -1.475 7.435 5.847 1.00 0.00 C ATOM 555 CG ASN A 37 -0.281 7.587 6.791 1.00 0.00 C ATOM 556 OD1 ASN A 37 -0.182 6.889 7.781 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.637 8.475 6.524 1.00 0.00 N ATOM 0 H ASN A 37 -2.298 7.240 2.931 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.236 7.270 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.890 8.414 5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.265 6.863 6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.438 8.583 7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.554 9.061 5.693 1.00 0.00 H new ATOM 564 N TYR A 38 0.079 4.677 3.898 1.00 0.00 N ATOM 565 CA TYR A 38 0.658 3.322 4.137 1.00 0.00 C ATOM 566 C TYR A 38 -0.284 2.475 4.989 1.00 0.00 C ATOM 567 O TYR A 38 0.098 1.922 6.002 1.00 0.00 O ATOM 568 CB TYR A 38 1.964 3.597 4.871 1.00 0.00 C ATOM 569 CG TYR A 38 2.815 4.531 4.040 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.519 4.727 2.686 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.904 5.193 4.618 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.300 5.580 1.913 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.688 6.053 3.840 1.00 0.00 C ATOM 574 CZ TYR A 38 4.389 6.248 2.489 1.00 0.00 C ATOM 575 OH TYR A 38 5.165 7.099 1.729 1.00 0.00 O ATOM 0 H TYR A 38 0.153 5.016 2.939 1.00 0.00 H new ATOM 0 HA TYR A 38 0.813 2.763 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.761 4.041 5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.497 2.664 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.680 4.214 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.139 5.041 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.067 5.727 0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.527 6.567 4.285 1.00 0.00 H new ATOM 0 HH TYR A 38 5.876 7.478 2.286 1.00 0.00 H new ATOM 585 N ASP A 39 -1.510 2.366 4.576 1.00 0.00 N ATOM 586 CA ASP A 39 -2.495 1.547 5.344 1.00 0.00 C ATOM 587 C ASP A 39 -2.535 0.121 4.799 1.00 0.00 C ATOM 588 O ASP A 39 -3.510 -0.580 4.966 1.00 0.00 O ATOM 589 CB ASP A 39 -3.838 2.237 5.117 1.00 0.00 C ATOM 590 CG ASP A 39 -4.502 2.520 6.465 1.00 0.00 C ATOM 591 OD1 ASP A 39 -4.054 1.962 7.452 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.449 3.289 6.487 1.00 0.00 O ATOM 0 H ASP A 39 -1.880 2.809 3.735 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.240 1.478 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.692 3.168 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.484 1.606 4.507 1.00 0.00 H new ATOM 597 N ILE A 40 -1.493 -0.323 4.143 1.00 0.00 N ATOM 598 CA ILE A 40 -1.521 -1.710 3.597 1.00 0.00 C ATOM 599 C ILE A 40 -2.051 -2.672 4.653 1.00 0.00 C ATOM 600 O ILE A 40 -2.575 -3.710 4.336 1.00 0.00 O ATOM 601 CB ILE A 40 -0.089 -2.075 3.210 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.900 -1.484 4.214 1.00 0.00 C ATOM 603 CG2 ILE A 40 0.218 -1.536 1.814 1.00 0.00 C ATOM 604 CD1 ILE A 40 2.228 -2.232 4.089 1.00 0.00 C ATOM 0 H ILE A 40 -0.639 0.205 3.965 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.177 -1.775 2.729 1.00 0.00 H new ATOM 0 HB ILE A 40 0.010 -3.160 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.045 -0.421 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.509 -1.574 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.240 -1.797 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.474 -1.974 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.107 -0.452 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.945 -1.821 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.071 -3.290 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.615 -2.119 3.076 1.00 0.00 H new ATOM 616 N GLY A 41 -1.945 -2.340 5.907 1.00 0.00 N ATOM 617 CA GLY A 41 -2.489 -3.260 6.940 1.00 0.00 C ATOM 618 C GLY A 41 -4.008 -3.217 6.830 1.00 0.00 C ATOM 619 O GLY A 41 -4.649 -4.193 6.495 1.00 0.00 O ATOM 0 H GLY A 41 -1.512 -1.485 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.121 -4.274 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.167 -2.954 7.935 1.00 0.00 H new ATOM 623 N ALA A 42 -4.583 -2.076 7.073 1.00 0.00 N ATOM 624 CA ALA A 42 -6.051 -1.937 6.943 1.00 0.00 C ATOM 625 C ALA A 42 -6.427 -2.152 5.484 1.00 0.00 C ATOM 626 O ALA A 42 -7.492 -2.642 5.165 1.00 0.00 O ATOM 627 CB ALA A 42 -6.339 -0.499 7.376 1.00 0.00 C ATOM 0 H ALA A 42 -4.092 -1.228 7.358 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.616 -2.653 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.410 -0.307 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.007 -0.355 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.806 0.191 6.722 1.00 0.00 H new ATOM 633 N ALA A 43 -5.539 -1.809 4.595 1.00 0.00 N ATOM 634 CA ALA A 43 -5.814 -2.013 3.155 1.00 0.00 C ATOM 635 C ALA A 43 -5.680 -3.498 2.840 1.00 0.00 C ATOM 636 O ALA A 43 -6.477 -4.054 2.115 1.00 0.00 O ATOM 637 CB ALA A 43 -4.747 -1.203 2.420 1.00 0.00 C ATOM 0 H ALA A 43 -4.632 -1.395 4.809 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.815 -1.697 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.888 -1.307 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.832 -0.152 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.758 -1.571 2.693 1.00 0.00 H new ATOM 643 N LEU A 44 -4.688 -4.149 3.406 1.00 0.00 N ATOM 644 CA LEU A 44 -4.514 -5.608 3.161 1.00 0.00 C ATOM 645 C LEU A 44 -5.882 -6.263 3.133 1.00 0.00 C ATOM 646 O LEU A 44 -6.176 -7.074 2.297 1.00 0.00 O ATOM 647 CB LEU A 44 -3.697 -6.120 4.348 1.00 0.00 C ATOM 648 CG LEU A 44 -2.302 -6.602 3.902 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.419 -7.965 3.219 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.657 -5.601 2.929 1.00 0.00 C ATOM 0 H LEU A 44 -3.995 -3.728 4.025 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.017 -5.826 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.591 -5.327 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.229 -6.939 4.832 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.672 -6.683 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.431 -8.301 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.843 -8.687 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.067 -7.880 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.674 -5.966 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.288 -5.494 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.551 -4.633 3.419 1.00 0.00 H new ATOM 662 N ASP A 45 -6.740 -5.895 4.029 1.00 0.00 N ATOM 663 CA ASP A 45 -8.089 -6.501 4.016 1.00 0.00 C ATOM 664 C ASP A 45 -8.725 -6.299 2.642 1.00 0.00 C ATOM 665 O ASP A 45 -9.258 -7.217 2.052 1.00 0.00 O ATOM 666 CB ASP A 45 -8.848 -5.790 5.161 1.00 0.00 C ATOM 667 CG ASP A 45 -10.183 -5.220 4.665 1.00 0.00 C ATOM 668 OD1 ASP A 45 -11.054 -6.006 4.333 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.308 -4.007 4.625 1.00 0.00 O ATOM 0 H ASP A 45 -6.570 -5.208 4.763 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.094 -7.579 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.028 -6.493 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.233 -4.986 5.565 1.00 0.00 H new ATOM 674 N THR A 46 -8.645 -5.122 2.122 1.00 0.00 N ATOM 675 CA THR A 46 -9.212 -4.875 0.777 1.00 0.00 C ATOM 676 C THR A 46 -8.203 -5.327 -0.270 1.00 0.00 C ATOM 677 O THR A 46 -8.556 -5.844 -1.312 1.00 0.00 O ATOM 678 CB THR A 46 -9.477 -3.356 0.707 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.701 -3.129 0.024 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.341 -2.627 -0.035 1.00 0.00 C ATOM 0 H THR A 46 -8.211 -4.314 2.568 1.00 0.00 H new ATOM 0 HA THR A 46 -10.135 -5.425 0.592 1.00 0.00 H new ATOM 0 HB THR A 46 -9.529 -2.967 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.876 -2.166 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.555 -1.559 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.400 -2.792 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.263 -3.014 -1.051 1.00 0.00 H new ATOM 688 N ILE A 47 -6.947 -5.128 0.000 1.00 0.00 N ATOM 689 CA ILE A 47 -5.918 -5.536 -0.971 1.00 0.00 C ATOM 690 C ILE A 47 -5.714 -7.060 -0.959 1.00 0.00 C ATOM 691 O ILE A 47 -5.167 -7.617 -1.888 1.00 0.00 O ATOM 692 CB ILE A 47 -4.678 -4.787 -0.553 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.027 -3.314 -0.378 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.650 -4.911 -1.661 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.890 -2.835 -1.549 1.00 0.00 C ATOM 0 H ILE A 47 -6.594 -4.699 0.855 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.197 -5.300 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.288 -5.193 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.561 -3.168 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.115 -2.720 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.744 -4.375 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.414 -5.963 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.052 -4.484 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.134 -1.781 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.341 -2.964 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.810 -3.418 -1.585 1.00 0.00 H new ATOM 707 N GLN A 48 -6.167 -7.764 0.054 1.00 0.00 N ATOM 708 CA GLN A 48 -6.004 -9.234 0.008 1.00 0.00 C ATOM 709 C GLN A 48 -7.280 -9.842 -0.571 1.00 0.00 C ATOM 710 O GLN A 48 -7.337 -11.013 -0.892 1.00 0.00 O ATOM 711 CB GLN A 48 -5.758 -9.722 1.431 1.00 0.00 C ATOM 712 CG GLN A 48 -4.554 -10.670 1.449 1.00 0.00 C ATOM 713 CD GLN A 48 -4.653 -11.659 0.283 1.00 0.00 C ATOM 714 OE1 GLN A 48 -5.510 -12.519 0.273 1.00 0.00 O ATOM 715 NE2 GLN A 48 -3.804 -11.572 -0.706 1.00 0.00 N ATOM 0 H GLN A 48 -6.628 -7.389 0.883 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.163 -9.529 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.575 -8.874 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.643 -10.235 1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.629 -10.099 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.520 -11.211 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.084 -10.850 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.861 -12.226 -1.486 1.00 0.00 H new ATOM 724 N TYR A 49 -8.302 -9.034 -0.728 1.00 0.00 N ATOM 725 CA TYR A 49 -9.576 -9.534 -1.310 1.00 0.00 C ATOM 726 C TYR A 49 -9.897 -10.934 -0.780 1.00 0.00 C ATOM 727 O TYR A 49 -9.358 -11.371 0.217 1.00 0.00 O ATOM 728 CB TYR A 49 -9.305 -9.568 -2.811 1.00 0.00 C ATOM 729 CG TYR A 49 -8.751 -8.233 -3.259 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.375 -7.977 -3.159 1.00 0.00 C ATOM 731 CD2 TYR A 49 -9.608 -7.254 -3.773 1.00 0.00 C ATOM 732 CE1 TYR A 49 -6.859 -6.740 -3.573 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.092 -6.019 -4.187 1.00 0.00 C ATOM 734 CZ TYR A 49 -7.719 -5.763 -4.086 1.00 0.00 C ATOM 735 OH TYR A 49 -7.213 -4.545 -4.496 1.00 0.00 O ATOM 0 H TYR A 49 -8.303 -8.046 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.432 -8.910 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.597 -10.363 -3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.225 -9.791 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.713 -8.733 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.667 -7.450 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.800 -6.542 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.754 -5.264 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.944 -3.982 -4.827 1.00 0.00 H new ATOM 745 N SER A 50 -10.774 -11.641 -1.440 1.00 0.00 N ATOM 746 CA SER A 50 -11.128 -13.011 -0.973 1.00 0.00 C ATOM 747 C SER A 50 -10.007 -13.993 -1.328 1.00 0.00 C ATOM 748 O SER A 50 -9.550 -14.754 -0.497 1.00 0.00 O ATOM 749 CB SER A 50 -12.411 -13.368 -1.722 1.00 0.00 C ATOM 750 OG SER A 50 -13.299 -12.258 -1.687 1.00 0.00 O ATOM 0 H SER A 50 -11.260 -11.329 -2.281 1.00 0.00 H new ATOM 0 HA SER A 50 -11.263 -13.058 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.182 -13.633 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.881 -14.239 -1.266 1.00 0.00 H new ATOM 0 HG SER A 50 -14.123 -12.483 -2.168 1.00 0.00 H new ATOM 756 N LYS A 51 -9.560 -13.980 -2.554 1.00 0.00 N ATOM 757 CA LYS A 51 -8.468 -14.911 -2.958 1.00 0.00 C ATOM 758 C LYS A 51 -7.231 -14.680 -2.088 1.00 0.00 C ATOM 759 O LYS A 51 -6.826 -13.559 -1.852 1.00 0.00 O ATOM 760 CB LYS A 51 -8.172 -14.561 -4.418 1.00 0.00 C ATOM 761 CG LYS A 51 -8.745 -15.647 -5.330 1.00 0.00 C ATOM 762 CD LYS A 51 -10.034 -15.142 -5.980 1.00 0.00 C ATOM 763 CE LYS A 51 -10.434 -16.079 -7.123 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.721 -16.688 -6.689 1.00 0.00 N ATOM 0 H LYS A 51 -9.903 -13.366 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.749 -15.957 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.609 -13.594 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.096 -14.473 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.018 -15.912 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.946 -16.551 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.832 -15.094 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.890 -14.130 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.552 -15.532 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.674 -16.842 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.059 -17.344 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.577 -17.207 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.427 -15.939 -6.542 1.00 0.00 H new ATOM 778 N HIS A 52 -6.626 -15.731 -1.608 1.00 0.00 N ATOM 779 CA HIS A 52 -5.417 -15.570 -0.751 1.00 0.00 C ATOM 780 C HIS A 52 -4.147 -15.692 -1.597 1.00 0.00 C ATOM 781 O HIS A 52 -4.229 -16.256 -2.675 1.00 0.00 O ATOM 782 CB HIS A 52 -5.497 -16.710 0.266 1.00 0.00 C ATOM 783 CG HIS A 52 -5.509 -16.140 1.656 1.00 0.00 C ATOM 784 ND1 HIS A 52 -4.423 -16.249 2.510 1.00 0.00 N ATOM 785 CD2 HIS A 52 -6.468 -15.450 2.357 1.00 0.00 C ATOM 786 CE1 HIS A 52 -4.751 -15.640 3.664 1.00 0.00 C ATOM 787 NE2 HIS A 52 -5.986 -15.136 3.625 1.00 0.00 N ATOM 788 OXT HIS A 52 -3.114 -15.217 -1.152 1.00 0.00 O ATOM 0 H HIS A 52 -6.916 -16.695 -1.772 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.382 -14.594 -0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.397 -17.301 0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.647 -17.381 0.144 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.447 -15.191 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.094 -15.568 4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.472 -14.630 4.365 1.00 0.00 H new TER 796 HIS A 52