USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 8 LYS NZ :NH3+ -138:sc= -1.02! (180deg=-3.61!) USER MOD Single : A 9 LYS NZ :NH3+ -110:sc= -0.0298 (180deg=-0.119) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 14 THR OG1 : rot -30:sc= -3.44! USER MOD Single : A 15 ASN : amide:sc= -6.41! C(o=-6.4!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 20 SER OG : rot -0:sc= 1.18 USER MOD Single : A 21 MET CE :methyl 144:sc= -1.64! (180deg=-2.29!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -55:sc= 0.257 USER MOD Single : A 28 THR OG1 : rot -33:sc= -0.892 USER MOD Single : A 29 THR OG1 : rot 177:sc= 0.0862 USER MOD Single : A 34 GLN : amide:sc= -2.35 K(o=-2.4,f=-3.3!) USER MOD Single : A 36 SER OG : rot -140:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.33! C(o=-4.3!,f=-10!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.982 USER MOD Single : A 52 TYR OH : rot 166:sc= -0.864 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.39) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.955 K(o=-0.96,f=-0.41) USER MOD Single : A 75 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-1.8) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 11.199 10.994 -4.675 1.00 0.00 N ATOM 24 CA GLU A 7 9.910 10.495 -4.206 1.00 0.00 C ATOM 25 C GLU A 7 9.944 10.242 -2.701 1.00 0.00 C ATOM 26 O GLU A 7 10.941 10.531 -2.039 1.00 0.00 O ATOM 27 CB GLU A 7 9.535 9.207 -4.947 1.00 0.00 C ATOM 28 CG GLU A 7 10.732 8.348 -5.329 1.00 0.00 C ATOM 29 CD GLU A 7 11.377 8.791 -6.627 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.146 9.946 -7.043 1.00 0.00 O ATOM 31 OE2 GLU A 7 12.112 7.981 -7.231 1.00 0.00 O ATOM 0 HA GLU A 7 9.155 11.254 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.864 8.620 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.982 9.466 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.471 8.385 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.414 7.309 -5.421 1.00 0.00 H new ATOM 38 N LYS A 8 8.852 9.705 -2.163 1.00 0.00 N ATOM 39 CA LYS A 8 8.769 9.422 -0.740 1.00 0.00 C ATOM 40 C LYS A 8 9.055 7.950 -0.462 1.00 0.00 C ATOM 41 O LYS A 8 8.780 7.084 -1.293 1.00 0.00 O ATOM 42 CB LYS A 8 7.387 9.807 -0.201 1.00 0.00 C ATOM 43 CG LYS A 8 6.264 8.885 -0.652 1.00 0.00 C ATOM 44 CD LYS A 8 5.166 9.650 -1.372 1.00 0.00 C ATOM 45 CE LYS A 8 3.810 8.989 -1.187 1.00 0.00 C ATOM 46 NZ LYS A 8 3.540 7.961 -2.230 1.00 0.00 N ATOM 0 H LYS A 8 8.016 9.459 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 8 9.524 10.019 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.423 9.812 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.156 10.824 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.666 8.117 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.844 8.373 0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.127 10.672 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.400 9.710 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.765 8.525 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.030 9.749 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.554 8.042 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.179 8.109 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.698 7.013 -1.832 1.00 0.00 H new ATOM 60 N LYS A 9 9.605 7.676 0.713 1.00 0.00 N ATOM 61 CA LYS A 9 9.927 6.313 1.111 1.00 0.00 C ATOM 62 C LYS A 9 8.983 5.847 2.209 1.00 0.00 C ATOM 63 O LYS A 9 8.683 6.595 3.140 1.00 0.00 O ATOM 64 CB LYS A 9 11.379 6.221 1.587 1.00 0.00 C ATOM 65 CG LYS A 9 11.775 4.835 2.075 1.00 0.00 C ATOM 66 CD LYS A 9 11.889 4.785 3.591 1.00 0.00 C ATOM 67 CE LYS A 9 13.309 4.469 4.035 1.00 0.00 C ATOM 68 NZ LYS A 9 13.445 3.062 4.506 1.00 0.00 N ATOM 0 H LYS A 9 9.838 8.383 1.410 1.00 0.00 H new ATOM 0 HA LYS A 9 9.805 5.663 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.039 6.511 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.534 6.939 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.036 4.107 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.728 4.550 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.580 5.742 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.208 4.030 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.995 4.642 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.599 5.149 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.593 3.053 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.579 2.534 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.258 2.615 4.035 1.00 0.00 H new ATOM 82 N ILE A 10 8.503 4.617 2.089 1.00 0.00 N ATOM 83 CA ILE A 10 7.577 4.068 3.069 1.00 0.00 C ATOM 84 C ILE A 10 7.913 2.617 3.393 1.00 0.00 C ATOM 85 O ILE A 10 8.654 1.961 2.660 1.00 0.00 O ATOM 86 CB ILE A 10 6.115 4.165 2.578 1.00 0.00 C ATOM 87 CG1 ILE A 10 6.020 5.090 1.355 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.222 4.665 3.705 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.611 5.529 1.014 1.00 0.00 C ATOM 0 H ILE A 10 8.738 3.983 1.326 1.00 0.00 H new ATOM 0 HA ILE A 10 7.681 4.664 3.975 1.00 0.00 H new ATOM 0 HB ILE A 10 5.775 3.174 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.630 5.975 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.447 4.578 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.193 4.731 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.274 3.972 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.559 5.650 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.634 6.179 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.999 4.653 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.185 6.072 1.858 1.00 0.00 H new ATOM 101 N ARG A 11 7.371 2.122 4.502 1.00 0.00 N ATOM 102 CA ARG A 11 7.624 0.750 4.930 1.00 0.00 C ATOM 103 C ARG A 11 6.469 -0.165 4.544 1.00 0.00 C ATOM 104 O ARG A 11 5.342 0.289 4.346 1.00 0.00 O ATOM 105 CB ARG A 11 7.844 0.699 6.442 1.00 0.00 C ATOM 106 CG ARG A 11 8.230 -0.680 6.954 1.00 0.00 C ATOM 107 CD ARG A 11 8.408 -0.683 8.464 1.00 0.00 C ATOM 108 NE ARG A 11 9.493 0.199 8.888 1.00 0.00 N ATOM 109 CZ ARG A 11 10.084 0.126 10.079 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.697 -0.784 10.965 1.00 0.00 N ATOM 111 NH2 ARG A 11 11.063 0.965 10.385 1.00 0.00 N ATOM 0 H ARG A 11 6.755 2.650 5.120 1.00 0.00 H new ATOM 0 HA ARG A 11 8.524 0.400 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.626 1.409 6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.932 1.022 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.461 -1.401 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.156 -1.001 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.479 -0.369 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.612 -1.699 8.803 1.00 0.00 H new ATOM 0 HE ARG A 11 9.816 0.912 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.943 -1.432 10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.153 -0.835 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.364 1.666 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.516 0.909 11.297 1.00 0.00 H new ATOM 125 N ILE A 12 6.756 -1.458 4.441 1.00 0.00 N ATOM 126 CA ILE A 12 5.743 -2.442 4.085 1.00 0.00 C ATOM 127 C ILE A 12 5.887 -3.702 4.929 1.00 0.00 C ATOM 128 O ILE A 12 6.996 -4.095 5.289 1.00 0.00 O ATOM 129 CB ILE A 12 5.829 -2.843 2.599 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.701 -1.617 1.691 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.752 -3.865 2.272 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.396 -1.786 0.355 1.00 0.00 C ATOM 0 H ILE A 12 7.685 -1.849 4.600 1.00 0.00 H new ATOM 0 HA ILE A 12 4.778 -1.972 4.274 1.00 0.00 H new ATOM 0 HB ILE A 12 6.806 -3.291 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.645 -1.409 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.118 -0.749 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.821 -4.142 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.892 -4.751 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.770 -3.435 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.267 -0.882 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.459 -1.964 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.963 -2.634 -0.176 1.00 0.00 H new ATOM 144 N THR A 13 4.761 -4.335 5.233 1.00 0.00 N ATOM 145 CA THR A 13 4.773 -5.557 6.027 1.00 0.00 C ATOM 146 C THR A 13 3.592 -6.458 5.682 1.00 0.00 C ATOM 147 O THR A 13 2.437 -6.066 5.840 1.00 0.00 O ATOM 148 CB THR A 13 4.753 -5.224 7.513 1.00 0.00 C ATOM 149 OG1 THR A 13 5.420 -3.999 7.763 1.00 0.00 O ATOM 150 CG2 THR A 13 5.410 -6.288 8.356 1.00 0.00 C ATOM 0 H THR A 13 3.833 -4.025 4.944 1.00 0.00 H new ATOM 0 HA THR A 13 5.691 -6.095 5.791 1.00 0.00 H new ATOM 0 HB THR A 13 3.700 -5.156 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.395 -3.803 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.367 -5.998 9.406 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.888 -7.235 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.451 -6.401 8.053 1.00 0.00 H new ATOM 158 N THR A 14 3.886 -7.669 5.214 1.00 0.00 N ATOM 159 CA THR A 14 2.836 -8.616 4.853 1.00 0.00 C ATOM 160 C THR A 14 2.471 -9.513 6.025 1.00 0.00 C ATOM 161 O THR A 14 3.340 -9.939 6.799 1.00 0.00 O ATOM 162 CB THR A 14 3.246 -9.473 3.655 1.00 0.00 C ATOM 163 OG1 THR A 14 3.861 -10.682 4.072 1.00 0.00 O ATOM 164 CG2 THR A 14 4.197 -8.768 2.718 1.00 0.00 C ATOM 0 H THR A 14 4.836 -8.015 5.077 1.00 0.00 H new ATOM 0 HA THR A 14 1.960 -8.028 4.578 1.00 0.00 H new ATOM 0 HB THR A 14 2.318 -9.678 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.322 -10.537 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.449 -9.430 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.724 -7.866 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.106 -8.499 3.257 1.00 0.00 H new ATOM 172 N ASN A 15 1.178 -9.800 6.127 1.00 0.00 N ATOM 173 CA ASN A 15 0.637 -10.648 7.183 1.00 0.00 C ATOM 174 C ASN A 15 1.416 -11.952 7.310 1.00 0.00 C ATOM 175 O ASN A 15 1.476 -12.544 8.388 1.00 0.00 O ATOM 176 CB ASN A 15 -0.836 -10.954 6.904 1.00 0.00 C ATOM 177 CG ASN A 15 -1.063 -11.469 5.497 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.151 -11.469 4.668 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.282 -11.912 5.218 1.00 0.00 N ATOM 0 H ASN A 15 0.473 -9.450 5.478 1.00 0.00 H new ATOM 0 HA ASN A 15 0.729 -10.106 8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.193 -11.694 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.427 -10.051 7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.494 -12.271 4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.008 -11.894 5.935 1.00 0.00 H new ATOM 186 N ASP A 16 2.010 -12.397 6.209 1.00 0.00 N ATOM 187 CA ASP A 16 2.781 -13.632 6.218 1.00 0.00 C ATOM 188 C ASP A 16 3.922 -13.547 7.227 1.00 0.00 C ATOM 189 O ASP A 16 4.434 -14.567 7.689 1.00 0.00 O ATOM 190 CB ASP A 16 3.329 -13.933 4.823 1.00 0.00 C ATOM 191 CG ASP A 16 2.543 -15.024 4.122 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.302 -14.902 4.040 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.167 -15.999 3.654 1.00 0.00 O ATOM 0 H ASP A 16 1.973 -11.925 5.306 1.00 0.00 H new ATOM 0 HA ASP A 16 2.118 -14.445 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.303 -13.025 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.374 -14.234 4.902 1.00 0.00 H new ATOM 198 N GLY A 17 4.312 -12.322 7.568 1.00 0.00 N ATOM 199 CA GLY A 17 5.383 -12.125 8.523 1.00 0.00 C ATOM 200 C GLY A 17 6.633 -11.563 7.884 1.00 0.00 C ATOM 201 O GLY A 17 7.743 -11.818 8.351 1.00 0.00 O ATOM 0 H GLY A 17 3.904 -11.463 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.045 -11.449 9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.619 -13.076 9.001 1.00 0.00 H new ATOM 205 N ARG A 18 6.461 -10.793 6.812 1.00 0.00 N ATOM 206 CA ARG A 18 7.602 -10.202 6.121 1.00 0.00 C ATOM 207 C ARG A 18 7.394 -8.706 5.904 1.00 0.00 C ATOM 208 O ARG A 18 6.265 -8.219 5.931 1.00 0.00 O ATOM 209 CB ARG A 18 7.841 -10.917 4.787 1.00 0.00 C ATOM 210 CG ARG A 18 6.962 -10.427 3.651 1.00 0.00 C ATOM 211 CD ARG A 18 7.085 -11.322 2.433 1.00 0.00 C ATOM 212 NE ARG A 18 6.836 -12.725 2.754 1.00 0.00 N ATOM 213 CZ ARG A 18 5.644 -13.310 2.663 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.569 -12.602 2.330 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.525 -14.604 2.922 1.00 0.00 N ATOM 0 H ARG A 18 5.553 -10.566 6.407 1.00 0.00 H new ATOM 0 HA ARG A 18 8.486 -10.328 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.886 -10.792 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.674 -11.985 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.923 -10.397 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.242 -9.408 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.379 -10.994 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.083 -11.220 2.008 1.00 0.00 H new ATOM 0 HE ARG A 18 7.624 -13.291 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.654 -11.603 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.659 -13.058 2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.345 -15.148 3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.613 -15.056 2.853 1.00 0.00 H new ATOM 229 N GLN A 19 8.489 -7.977 5.696 1.00 0.00 N ATOM 230 CA GLN A 19 8.411 -6.534 5.485 1.00 0.00 C ATOM 231 C GLN A 19 9.523 -6.037 4.567 1.00 0.00 C ATOM 232 O GLN A 19 10.554 -6.691 4.405 1.00 0.00 O ATOM 233 CB GLN A 19 8.481 -5.791 6.823 1.00 0.00 C ATOM 234 CG GLN A 19 9.338 -6.486 7.871 1.00 0.00 C ATOM 235 CD GLN A 19 10.285 -5.535 8.576 1.00 0.00 C ATOM 236 OE1 GLN A 19 10.206 -5.348 9.790 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.188 -4.926 7.816 1.00 0.00 N ATOM 0 H GLN A 19 9.434 -8.359 5.669 1.00 0.00 H new ATOM 0 HA GLN A 19 7.454 -6.329 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.876 -4.790 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.471 -5.672 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.690 -6.960 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.914 -7.280 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.218 -5.110 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.851 -4.274 8.235 1.00 0.00 H new ATOM 246 N SER A 20 9.300 -4.868 3.975 1.00 0.00 N ATOM 247 CA SER A 20 10.273 -4.256 3.078 1.00 0.00 C ATOM 248 C SER A 20 9.945 -2.780 2.863 1.00 0.00 C ATOM 249 O SER A 20 8.825 -2.341 3.121 1.00 0.00 O ATOM 250 CB SER A 20 10.299 -4.988 1.734 1.00 0.00 C ATOM 251 OG SER A 20 10.925 -6.253 1.855 1.00 0.00 O ATOM 0 H SER A 20 8.448 -4.323 4.102 1.00 0.00 H new ATOM 0 HA SER A 20 11.258 -4.334 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.281 -5.116 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.830 -4.385 0.998 1.00 0.00 H new ATOM 0 HG SER A 20 11.212 -6.389 2.782 1.00 0.00 H new ATOM 257 N MET A 21 10.928 -2.018 2.393 1.00 0.00 N ATOM 258 CA MET A 21 10.736 -0.591 2.149 1.00 0.00 C ATOM 259 C MET A 21 10.653 -0.296 0.659 1.00 0.00 C ATOM 260 O MET A 21 11.143 -1.063 -0.168 1.00 0.00 O ATOM 261 CB MET A 21 11.866 0.221 2.797 1.00 0.00 C ATOM 262 CG MET A 21 13.179 0.201 2.024 1.00 0.00 C ATOM 263 SD MET A 21 14.163 -1.272 2.356 1.00 0.00 S ATOM 264 CE MET A 21 13.862 -2.217 0.864 1.00 0.00 C ATOM 0 H MET A 21 11.863 -2.363 2.174 1.00 0.00 H new ATOM 0 HA MET A 21 9.790 -0.295 2.603 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.538 1.255 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.044 -0.164 3.801 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.968 0.258 0.956 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.760 1.086 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.767 -2.757 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.055 -2.928 1.040 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.580 -1.542 0.056 1.00 0.00 H new ATOM 274 N VAL A 22 10.017 0.820 0.329 1.00 0.00 N ATOM 275 CA VAL A 22 9.854 1.218 -1.060 1.00 0.00 C ATOM 276 C VAL A 22 10.050 2.719 -1.235 1.00 0.00 C ATOM 277 O VAL A 22 10.163 3.462 -0.261 1.00 0.00 O ATOM 278 CB VAL A 22 8.461 0.833 -1.582 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.390 -0.657 -1.875 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.384 1.243 -0.588 1.00 0.00 C ATOM 0 H VAL A 22 9.606 1.464 1.005 1.00 0.00 H new ATOM 0 HA VAL A 22 10.616 0.690 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 22 8.284 1.369 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.395 -0.908 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.133 -0.915 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.591 -1.217 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.405 0.962 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.556 0.739 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.419 2.322 -0.438 1.00 0.00 H new ATOM 290 N THR A 23 10.084 3.155 -2.490 1.00 0.00 N ATOM 291 CA THR A 23 10.259 4.566 -2.809 1.00 0.00 C ATOM 292 C THR A 23 9.015 5.120 -3.496 1.00 0.00 C ATOM 293 O THR A 23 9.107 5.783 -4.528 1.00 0.00 O ATOM 294 CB THR A 23 11.479 4.755 -3.710 1.00 0.00 C ATOM 295 OG1 THR A 23 11.797 6.129 -3.845 1.00 0.00 O ATOM 296 CG2 THR A 23 11.280 4.189 -5.099 1.00 0.00 C ATOM 0 H THR A 23 9.992 2.548 -3.305 1.00 0.00 H new ATOM 0 HA THR A 23 10.415 5.112 -1.878 1.00 0.00 H new ATOM 0 HB THR A 23 12.289 4.213 -3.223 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.581 6.228 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.180 4.354 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.081 3.119 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.435 4.686 -5.577 1.00 0.00 H new ATOM 304 N LEU A 24 7.855 4.830 -2.916 1.00 0.00 N ATOM 305 CA LEU A 24 6.575 5.284 -3.463 1.00 0.00 C ATOM 306 C LEU A 24 6.671 6.707 -4.007 1.00 0.00 C ATOM 307 O LEU A 24 7.173 7.608 -3.337 1.00 0.00 O ATOM 308 CB LEU A 24 5.488 5.204 -2.387 1.00 0.00 C ATOM 309 CG LEU A 24 4.219 4.456 -2.802 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.564 3.089 -3.379 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.274 4.316 -1.618 1.00 0.00 C ATOM 0 H LEU A 24 7.772 4.279 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 24 6.313 4.627 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.906 4.718 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.214 6.217 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 24 3.717 5.035 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.648 2.574 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.201 3.214 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.090 2.500 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.377 3.782 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.769 3.760 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.999 5.306 -1.253 1.00 0.00 H new ATOM 323 N LYS A 25 6.191 6.899 -5.231 1.00 0.00 N ATOM 324 CA LYS A 25 6.225 8.208 -5.871 1.00 0.00 C ATOM 325 C LYS A 25 5.269 9.177 -5.182 1.00 0.00 C ATOM 326 O LYS A 25 4.291 8.764 -4.560 1.00 0.00 O ATOM 327 CB LYS A 25 5.869 8.079 -7.353 1.00 0.00 C ATOM 328 CG LYS A 25 6.996 8.497 -8.286 1.00 0.00 C ATOM 329 CD LYS A 25 6.473 9.292 -9.473 1.00 0.00 C ATOM 330 CE LYS A 25 5.750 10.551 -9.024 1.00 0.00 C ATOM 331 NZ LYS A 25 5.746 11.597 -10.084 1.00 0.00 N ATOM 0 H LYS A 25 5.773 6.163 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 25 7.236 8.606 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.597 7.045 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.990 8.689 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.721 9.097 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.521 7.611 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.303 9.561 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.795 8.671 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.723 10.303 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.229 10.945 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.243 12.439 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.725 11.852 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.266 11.231 -10.931 1.00 0.00 H new ATOM 345 N SER A 26 5.561 10.469 -5.297 1.00 0.00 N ATOM 346 CA SER A 26 4.729 11.500 -4.684 1.00 0.00 C ATOM 347 C SER A 26 3.285 11.401 -5.167 1.00 0.00 C ATOM 348 O SER A 26 2.347 11.512 -4.378 1.00 0.00 O ATOM 349 CB SER A 26 5.291 12.888 -4.996 1.00 0.00 C ATOM 350 OG SER A 26 5.228 13.731 -3.859 1.00 0.00 O ATOM 0 H SER A 26 6.367 10.827 -5.809 1.00 0.00 H new ATOM 0 HA SER A 26 4.739 11.344 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.325 12.799 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.729 13.335 -5.816 1.00 0.00 H new ATOM 0 HG SER A 26 5.595 14.612 -4.084 1.00 0.00 H new ATOM 356 N SER A 27 3.114 11.195 -6.469 1.00 0.00 N ATOM 357 CA SER A 27 1.784 11.084 -7.057 1.00 0.00 C ATOM 358 C SER A 27 1.462 9.635 -7.412 1.00 0.00 C ATOM 359 O SER A 27 0.948 9.350 -8.494 1.00 0.00 O ATOM 360 CB SER A 27 1.682 11.964 -8.304 1.00 0.00 C ATOM 361 OG SER A 27 0.339 12.070 -8.744 1.00 0.00 O ATOM 0 H SER A 27 3.880 11.102 -7.137 1.00 0.00 H new ATOM 0 HA SER A 27 1.058 11.425 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.076 12.957 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.297 11.545 -9.100 1.00 0.00 H new ATOM 0 HG SER A 27 -0.031 11.173 -8.883 1.00 0.00 H new ATOM 367 N THR A 28 1.768 8.724 -6.494 1.00 0.00 N ATOM 368 CA THR A 28 1.510 7.306 -6.711 1.00 0.00 C ATOM 369 C THR A 28 0.149 6.911 -6.139 1.00 0.00 C ATOM 370 O THR A 28 -0.066 6.961 -4.928 1.00 0.00 O ATOM 371 CB THR A 28 2.632 6.465 -6.085 1.00 0.00 C ATOM 372 OG1 THR A 28 3.631 6.178 -7.048 1.00 0.00 O ATOM 373 CG2 THR A 28 2.166 5.143 -5.504 1.00 0.00 C ATOM 0 H THR A 28 2.195 8.943 -5.594 1.00 0.00 H new ATOM 0 HA THR A 28 1.490 7.114 -7.784 1.00 0.00 H new ATOM 0 HB THR A 28 3.018 7.075 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.217 6.085 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.018 4.610 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.430 5.329 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.714 4.539 -6.291 1.00 0.00 H new ATOM 381 N THR A 29 -0.764 6.513 -7.021 1.00 0.00 N ATOM 382 CA THR A 29 -2.099 6.103 -6.604 1.00 0.00 C ATOM 383 C THR A 29 -2.083 4.662 -6.106 1.00 0.00 C ATOM 384 O THR A 29 -1.056 3.986 -6.171 1.00 0.00 O ATOM 385 CB THR A 29 -3.086 6.250 -7.765 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.342 5.681 -7.434 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.606 5.602 -9.047 1.00 0.00 C ATOM 0 H THR A 29 -0.603 6.466 -8.027 1.00 0.00 H new ATOM 0 HA THR A 29 -2.420 6.749 -5.787 1.00 0.00 H new ATOM 0 HB THR A 29 -3.174 7.323 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.971 5.824 -8.172 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.353 5.744 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.666 6.060 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.453 4.536 -8.881 1.00 0.00 H new ATOM 395 N PHE A 30 -3.223 4.195 -5.605 1.00 0.00 N ATOM 396 CA PHE A 30 -3.332 2.831 -5.094 1.00 0.00 C ATOM 397 C PHE A 30 -2.742 1.825 -6.079 1.00 0.00 C ATOM 398 O PHE A 30 -2.014 0.913 -5.687 1.00 0.00 O ATOM 399 CB PHE A 30 -4.794 2.482 -4.809 1.00 0.00 C ATOM 400 CG PHE A 30 -4.970 1.144 -4.148 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.611 0.960 -2.822 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.494 0.072 -4.852 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.772 -0.269 -2.211 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.656 -1.159 -4.247 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.294 -1.330 -2.924 1.00 0.00 C ATOM 0 H PHE A 30 -4.083 4.739 -5.542 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.764 2.777 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.226 3.253 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.352 2.493 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.201 1.786 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.779 0.200 -5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.490 -0.400 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.065 -1.987 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.419 -2.292 -2.449 1.00 0.00 H new ATOM 415 N PHE A 31 -3.058 2.000 -7.358 1.00 0.00 N ATOM 416 CA PHE A 31 -2.554 1.109 -8.396 1.00 0.00 C ATOM 417 C PHE A 31 -1.030 1.131 -8.431 1.00 0.00 C ATOM 418 O PHE A 31 -0.383 0.083 -8.434 1.00 0.00 O ATOM 419 CB PHE A 31 -3.113 1.514 -9.760 1.00 0.00 C ATOM 420 CG PHE A 31 -4.608 1.401 -9.855 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.262 0.276 -9.377 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.358 2.417 -10.423 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.637 0.169 -9.464 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.733 2.315 -10.513 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.374 1.189 -10.032 1.00 0.00 C ATOM 0 H PHE A 31 -3.660 2.749 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.882 0.096 -8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.821 2.542 -9.972 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.660 0.888 -10.529 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.691 -0.525 -8.932 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.862 3.299 -10.800 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.135 -0.712 -9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.306 3.114 -10.959 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.449 1.107 -10.100 1.00 0.00 H new ATOM 435 N GLU A 32 -0.463 2.332 -8.451 1.00 0.00 N ATOM 436 CA GLU A 32 0.986 2.493 -8.480 1.00 0.00 C ATOM 437 C GLU A 32 1.615 1.892 -7.229 1.00 0.00 C ATOM 438 O GLU A 32 2.728 1.368 -7.271 1.00 0.00 O ATOM 439 CB GLU A 32 1.351 3.975 -8.592 1.00 0.00 C ATOM 440 CG GLU A 32 1.221 4.528 -10.002 1.00 0.00 C ATOM 441 CD GLU A 32 1.782 5.931 -10.132 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.013 6.093 -9.997 1.00 0.00 O ATOM 443 OE2 GLU A 32 0.990 6.868 -10.368 1.00 0.00 O ATOM 0 H GLU A 32 -0.985 3.208 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 32 1.375 1.967 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.710 4.550 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.376 4.115 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.740 3.867 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.170 4.533 -10.291 1.00 0.00 H new ATOM 450 N LEU A 33 0.890 1.968 -6.116 1.00 0.00 N ATOM 451 CA LEU A 33 1.371 1.426 -4.851 1.00 0.00 C ATOM 452 C LEU A 33 1.342 -0.100 -4.877 1.00 0.00 C ATOM 453 O LEU A 33 2.283 -0.757 -4.432 1.00 0.00 O ATOM 454 CB LEU A 33 0.520 1.954 -3.691 1.00 0.00 C ATOM 455 CG LEU A 33 0.665 1.199 -2.365 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.131 1.040 -1.993 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.093 1.918 -1.260 1.00 0.00 C ATOM 0 H LEU A 33 -0.033 2.400 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 33 2.402 1.749 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.777 3.000 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.528 1.927 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 33 0.236 0.204 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.210 0.501 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.646 0.481 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.589 2.024 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.020 1.369 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.307 2.925 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.150 1.976 -1.522 1.00 0.00 H new ATOM 469 N GLN A 34 0.258 -0.657 -5.408 1.00 0.00 N ATOM 470 CA GLN A 34 0.111 -2.104 -5.498 1.00 0.00 C ATOM 471 C GLN A 34 1.222 -2.707 -6.351 1.00 0.00 C ATOM 472 O GLN A 34 1.629 -3.850 -6.142 1.00 0.00 O ATOM 473 CB GLN A 34 -1.254 -2.465 -6.088 1.00 0.00 C ATOM 474 CG GLN A 34 -2.423 -2.089 -5.192 1.00 0.00 C ATOM 475 CD GLN A 34 -3.025 -3.286 -4.484 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.237 -3.497 -4.516 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.178 -4.079 -3.838 1.00 0.00 N ATOM 0 H GLN A 34 -0.530 -0.128 -5.782 1.00 0.00 H new ATOM 0 HA GLN A 34 0.182 -2.516 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.369 -1.965 -7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.285 -3.537 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.089 -1.364 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.192 -1.601 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.180 -3.867 -3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.525 -4.900 -3.343 1.00 0.00 H new ATOM 486 N GLU A 35 1.711 -1.928 -7.310 1.00 0.00 N ATOM 487 CA GLU A 35 2.778 -2.380 -8.196 1.00 0.00 C ATOM 488 C GLU A 35 4.130 -2.319 -7.492 1.00 0.00 C ATOM 489 O GLU A 35 5.049 -3.067 -7.828 1.00 0.00 O ATOM 490 CB GLU A 35 2.810 -1.527 -9.465 1.00 0.00 C ATOM 491 CG GLU A 35 3.894 -1.937 -10.448 1.00 0.00 C ATOM 492 CD GLU A 35 3.406 -1.951 -11.883 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.845 -2.982 -12.310 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.585 -0.930 -12.581 1.00 0.00 O ATOM 0 H GLU A 35 1.385 -0.979 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 35 2.577 -3.416 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.841 -1.590 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.959 -0.484 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.736 -1.250 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.262 -2.928 -10.184 1.00 0.00 H new ATOM 501 N SER A 36 4.247 -1.424 -6.515 1.00 0.00 N ATOM 502 CA SER A 36 5.488 -1.269 -5.765 1.00 0.00 C ATOM 503 C SER A 36 5.715 -2.462 -4.846 1.00 0.00 C ATOM 504 O SER A 36 6.790 -3.063 -4.846 1.00 0.00 O ATOM 505 CB SER A 36 5.455 0.022 -4.945 1.00 0.00 C ATOM 506 OG SER A 36 6.010 1.104 -5.675 1.00 0.00 O ATOM 0 H SER A 36 3.498 -0.796 -6.225 1.00 0.00 H new ATOM 0 HA SER A 36 6.312 -1.217 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.427 0.255 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.010 -0.118 -4.018 1.00 0.00 H new ATOM 0 HG SER A 36 6.550 1.660 -5.076 1.00 0.00 H new ATOM 512 N ILE A 37 4.694 -2.805 -4.067 1.00 0.00 N ATOM 513 CA ILE A 37 4.782 -3.932 -3.147 1.00 0.00 C ATOM 514 C ILE A 37 5.075 -5.223 -3.900 1.00 0.00 C ATOM 515 O ILE A 37 5.831 -6.073 -3.428 1.00 0.00 O ATOM 516 CB ILE A 37 3.481 -4.105 -2.342 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.077 -2.782 -1.688 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.648 -5.193 -1.292 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.608 -2.453 -1.852 1.00 0.00 C ATOM 0 H ILE A 37 3.797 -2.319 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 37 5.598 -3.718 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 37 2.687 -4.406 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.316 -2.823 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.672 -1.976 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.720 -5.303 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.891 -6.136 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.453 -4.920 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.391 -1.502 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.368 -2.380 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.006 -3.240 -1.397 1.00 0.00 H new ATOM 531 N ALA A 38 4.476 -5.360 -5.078 1.00 0.00 N ATOM 532 CA ALA A 38 4.678 -6.543 -5.903 1.00 0.00 C ATOM 533 C ALA A 38 6.154 -6.721 -6.252 1.00 0.00 C ATOM 534 O ALA A 38 6.582 -7.810 -6.635 1.00 0.00 O ATOM 535 CB ALA A 38 3.840 -6.451 -7.169 1.00 0.00 C ATOM 0 H ALA A 38 3.847 -4.666 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 38 4.359 -7.415 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.000 -7.341 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.786 -6.378 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.133 -5.567 -7.736 1.00 0.00 H new ATOM 541 N ARG A 39 6.929 -5.647 -6.112 1.00 0.00 N ATOM 542 CA ARG A 39 8.356 -5.692 -6.409 1.00 0.00 C ATOM 543 C ARG A 39 9.153 -6.048 -5.159 1.00 0.00 C ATOM 544 O ARG A 39 10.018 -6.924 -5.188 1.00 0.00 O ATOM 545 CB ARG A 39 8.834 -4.345 -6.960 1.00 0.00 C ATOM 546 CG ARG A 39 7.804 -3.634 -7.824 1.00 0.00 C ATOM 547 CD ARG A 39 8.468 -2.755 -8.871 1.00 0.00 C ATOM 548 NE ARG A 39 7.634 -2.597 -10.060 1.00 0.00 N ATOM 549 CZ ARG A 39 8.034 -1.980 -11.170 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.255 -1.464 -11.246 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.213 -1.881 -12.206 1.00 0.00 N ATOM 0 H ARG A 39 6.592 -4.738 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 39 8.519 -6.461 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.104 -3.697 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.739 -4.504 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.169 -4.371 -8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.156 -3.025 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.678 -1.775 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.426 -3.190 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 39 6.690 -2.982 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.891 -1.539 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.557 -0.992 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.275 -2.277 -12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.520 -1.408 -13.056 1.00 0.00 H new ATOM 565 N GLU A 40 8.852 -5.358 -4.065 1.00 0.00 N ATOM 566 CA GLU A 40 9.536 -5.593 -2.799 1.00 0.00 C ATOM 567 C GLU A 40 9.189 -6.966 -2.232 1.00 0.00 C ATOM 568 O GLU A 40 9.980 -7.563 -1.500 1.00 0.00 O ATOM 569 CB GLU A 40 9.166 -4.502 -1.791 1.00 0.00 C ATOM 570 CG GLU A 40 10.254 -3.459 -1.597 1.00 0.00 C ATOM 571 CD GLU A 40 10.710 -2.841 -2.905 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.872 -2.705 -3.821 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.905 -2.493 -3.013 1.00 0.00 O ATOM 0 H GLU A 40 8.138 -4.630 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 40 10.610 -5.563 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.254 -4.006 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.944 -4.967 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.885 -2.673 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.108 -3.919 -1.099 1.00 0.00 H new ATOM 580 N PHE A 41 8.002 -7.461 -2.566 1.00 0.00 N ATOM 581 CA PHE A 41 7.555 -8.761 -2.081 1.00 0.00 C ATOM 582 C PHE A 41 7.226 -9.697 -3.239 1.00 0.00 C ATOM 583 O PHE A 41 7.411 -9.350 -4.405 1.00 0.00 O ATOM 584 CB PHE A 41 6.335 -8.587 -1.176 1.00 0.00 C ATOM 585 CG PHE A 41 6.563 -7.612 -0.058 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.684 -6.256 -0.315 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.663 -8.051 1.252 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.899 -5.358 0.713 1.00 0.00 C ATOM 589 CE2 PHE A 41 6.878 -7.158 2.283 1.00 0.00 C ATOM 590 CZ PHE A 41 6.996 -5.811 2.015 1.00 0.00 C ATOM 0 H PHE A 41 7.333 -6.982 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 41 8.366 -9.210 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.490 -8.250 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.061 -9.555 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.609 -5.897 -1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.572 -9.105 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.991 -4.303 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.954 -7.515 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.164 -5.111 2.821 1.00 0.00 H new ATOM 600 N ASN A 42 6.743 -10.892 -2.909 1.00 0.00 N ATOM 601 CA ASN A 42 6.397 -11.883 -3.921 1.00 0.00 C ATOM 602 C ASN A 42 4.884 -12.063 -4.028 1.00 0.00 C ATOM 603 O ASN A 42 4.383 -13.187 -4.057 1.00 0.00 O ATOM 604 CB ASN A 42 7.061 -13.223 -3.597 1.00 0.00 C ATOM 605 CG ASN A 42 8.515 -13.266 -4.027 1.00 0.00 C ATOM 606 OD1 ASN A 42 8.908 -14.102 -4.841 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.321 -12.366 -3.478 1.00 0.00 N ATOM 0 H ASN A 42 6.583 -11.196 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 42 6.764 -11.522 -4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.996 -13.408 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.514 -14.026 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.310 -12.348 -3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.951 -11.692 -2.808 1.00 0.00 H new ATOM 614 N ILE A 43 4.162 -10.949 -4.095 1.00 0.00 N ATOM 615 CA ILE A 43 2.711 -10.988 -4.208 1.00 0.00 C ATOM 616 C ILE A 43 2.226 -10.031 -5.294 1.00 0.00 C ATOM 617 O ILE A 43 2.688 -8.893 -5.383 1.00 0.00 O ATOM 618 CB ILE A 43 2.027 -10.630 -2.873 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.566 -11.513 -1.747 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.516 -10.779 -2.990 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.541 -10.800 -0.839 1.00 0.00 C ATOM 0 H ILE A 43 4.559 -10.010 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 43 2.440 -12.009 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 43 2.252 -9.590 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.730 -11.881 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.056 -12.384 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.050 -10.522 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.144 -10.112 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.271 -11.809 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.883 -11.485 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.395 -10.455 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.049 -9.945 -0.376 1.00 0.00 H new ATOM 633 N PRO A 44 1.286 -10.483 -6.141 1.00 0.00 N ATOM 634 CA PRO A 44 0.742 -9.665 -7.227 1.00 0.00 C ATOM 635 C PRO A 44 -0.145 -8.533 -6.714 1.00 0.00 C ATOM 636 O PRO A 44 -0.556 -8.533 -5.553 1.00 0.00 O ATOM 637 CB PRO A 44 -0.078 -10.660 -8.049 1.00 0.00 C ATOM 638 CG PRO A 44 -0.448 -11.737 -7.087 1.00 0.00 C ATOM 639 CD PRO A 44 0.686 -11.827 -6.102 1.00 0.00 C ATOM 0 HA PRO A 44 1.529 -9.171 -7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.964 -10.187 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.502 -11.057 -8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.385 -11.503 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.592 -12.687 -7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.330 -12.078 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.405 -12.595 -6.387 1.00 0.00 H new ATOM 647 N PRO A 45 -0.452 -7.549 -7.576 1.00 0.00 N ATOM 648 CA PRO A 45 -1.291 -6.404 -7.206 1.00 0.00 C ATOM 649 C PRO A 45 -2.727 -6.806 -6.882 1.00 0.00 C ATOM 650 O PRO A 45 -3.442 -6.079 -6.192 1.00 0.00 O ATOM 651 CB PRO A 45 -1.256 -5.512 -8.451 1.00 0.00 C ATOM 652 CG PRO A 45 -0.904 -6.430 -9.570 1.00 0.00 C ATOM 653 CD PRO A 45 -0.001 -7.472 -8.977 1.00 0.00 C ATOM 0 HA PRO A 45 -0.924 -5.915 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.220 -5.033 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.519 -4.716 -8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.797 -6.885 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.404 -5.891 -10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.103 -8.430 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.048 -7.183 -9.047 1.00 0.00 H new ATOM 661 N TYR A 46 -3.149 -7.963 -7.383 1.00 0.00 N ATOM 662 CA TYR A 46 -4.504 -8.446 -7.140 1.00 0.00 C ATOM 663 C TYR A 46 -4.560 -9.378 -5.928 1.00 0.00 C ATOM 664 O TYR A 46 -5.560 -10.060 -5.708 1.00 0.00 O ATOM 665 CB TYR A 46 -5.045 -9.164 -8.379 1.00 0.00 C ATOM 666 CG TYR A 46 -4.327 -10.457 -8.699 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.183 -10.462 -9.485 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.798 -11.672 -8.216 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.525 -11.641 -9.780 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.145 -12.855 -8.507 1.00 0.00 C ATOM 671 CZ TYR A 46 -3.010 -12.834 -9.289 1.00 0.00 C ATOM 672 OH TYR A 46 -2.358 -14.010 -9.581 1.00 0.00 O ATOM 0 H TYR A 46 -2.575 -8.581 -7.957 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.129 -7.579 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.104 -9.375 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.969 -8.496 -9.237 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.801 -9.529 -9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.688 -11.692 -7.604 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.635 -11.628 -10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.522 -13.791 -8.123 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.828 -14.758 -9.158 1.00 0.00 H new ATOM 682 N LEU A 47 -3.484 -9.402 -5.144 1.00 0.00 N ATOM 683 CA LEU A 47 -3.423 -10.250 -3.957 1.00 0.00 C ATOM 684 C LEU A 47 -2.801 -9.512 -2.771 1.00 0.00 C ATOM 685 O LEU A 47 -2.569 -10.106 -1.720 1.00 0.00 O ATOM 686 CB LEU A 47 -2.614 -11.515 -4.250 1.00 0.00 C ATOM 687 CG LEU A 47 -3.263 -12.488 -5.234 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.349 -13.679 -5.485 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.616 -12.950 -4.711 1.00 0.00 C ATOM 0 H LEU A 47 -2.645 -8.846 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.446 -10.521 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.640 -11.222 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.435 -12.038 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.420 -11.971 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.826 -14.362 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.404 -13.331 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.161 -14.198 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.064 -13.642 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.484 -13.451 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.270 -12.088 -4.582 1.00 0.00 H new ATOM 701 N GLN A 48 -2.525 -8.221 -2.942 1.00 0.00 N ATOM 702 CA GLN A 48 -1.923 -7.431 -1.876 1.00 0.00 C ATOM 703 C GLN A 48 -2.915 -6.430 -1.293 1.00 0.00 C ATOM 704 O GLN A 48 -3.301 -5.464 -1.953 1.00 0.00 O ATOM 705 CB GLN A 48 -0.689 -6.694 -2.399 1.00 0.00 C ATOM 706 CG GLN A 48 0.454 -7.621 -2.778 1.00 0.00 C ATOM 707 CD GLN A 48 1.594 -6.897 -3.470 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.755 -7.044 -3.092 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.266 -6.112 -4.489 1.00 0.00 N ATOM 0 H GLN A 48 -2.708 -7.705 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.628 -8.116 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.971 -6.102 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.343 -5.995 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.832 -8.110 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.077 -8.406 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.289 -6.020 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.991 -5.601 -4.993 1.00 0.00 H new ATOM 718 N CYS A 49 -3.308 -6.658 -0.045 1.00 0.00 N ATOM 719 CA CYS A 49 -4.236 -5.769 0.642 1.00 0.00 C ATOM 720 C CYS A 49 -3.474 -4.902 1.637 1.00 0.00 C ATOM 721 O CYS A 49 -3.016 -5.388 2.672 1.00 0.00 O ATOM 722 CB CYS A 49 -5.323 -6.576 1.357 1.00 0.00 C ATOM 723 SG CYS A 49 -6.478 -5.574 2.323 1.00 0.00 S ATOM 0 H CYS A 49 -2.997 -7.453 0.513 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.720 -5.125 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.885 -7.144 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.846 -7.300 2.018 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.358 -6.348 2.886 1.00 0.00 H new ATOM 729 N ILE A 50 -3.321 -3.625 1.304 1.00 0.00 N ATOM 730 CA ILE A 50 -2.587 -2.689 2.150 1.00 0.00 C ATOM 731 C ILE A 50 -3.428 -2.188 3.319 1.00 0.00 C ATOM 732 O ILE A 50 -4.655 -2.119 3.239 1.00 0.00 O ATOM 733 CB ILE A 50 -2.092 -1.477 1.338 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.357 -1.940 0.077 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.188 -0.599 2.191 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.718 -1.147 -1.159 1.00 0.00 C ATOM 0 H ILE A 50 -3.697 -3.212 0.450 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.734 -3.241 2.546 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.958 -0.888 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.283 -1.866 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.581 -2.992 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.847 0.253 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.742 -0.242 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.327 -1.178 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.160 -1.530 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.787 -1.241 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.468 -0.097 -1.004 1.00 0.00 H new ATOM 748 N ARG A 51 -2.745 -1.831 4.405 1.00 0.00 N ATOM 749 CA ARG A 51 -3.401 -1.322 5.601 1.00 0.00 C ATOM 750 C ARG A 51 -2.556 -0.225 6.244 1.00 0.00 C ATOM 751 O ARG A 51 -1.342 -0.370 6.386 1.00 0.00 O ATOM 752 CB ARG A 51 -3.635 -2.455 6.601 1.00 0.00 C ATOM 753 CG ARG A 51 -4.643 -3.486 6.126 1.00 0.00 C ATOM 754 CD ARG A 51 -5.590 -3.889 7.242 1.00 0.00 C ATOM 755 NE ARG A 51 -6.407 -5.045 6.880 1.00 0.00 N ATOM 756 CZ ARG A 51 -5.989 -6.306 6.963 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.761 -6.579 7.387 1.00 0.00 N ATOM 758 NH2 ARG A 51 -6.800 -7.297 6.621 1.00 0.00 N ATOM 0 H ARG A 51 -1.729 -1.887 4.478 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.364 -0.901 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.686 -2.953 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.979 -2.031 7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.214 -3.081 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.118 -4.367 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.015 -4.119 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.240 -3.049 7.486 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.355 -4.875 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.132 -5.821 7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.446 -7.547 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.745 -7.093 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.480 -8.263 6.685 1.00 0.00 H new ATOM 772 N TYR A 52 -3.201 0.872 6.625 1.00 0.00 N ATOM 773 CA TYR A 52 -2.497 1.992 7.245 1.00 0.00 C ATOM 774 C TYR A 52 -3.294 2.568 8.412 1.00 0.00 C ATOM 775 O TYR A 52 -4.480 2.281 8.573 1.00 0.00 O ATOM 776 CB TYR A 52 -2.231 3.085 6.210 1.00 0.00 C ATOM 777 CG TYR A 52 -3.489 3.686 5.625 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.370 2.911 4.881 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.795 5.027 5.817 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.520 3.456 4.344 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.945 5.580 5.284 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.804 4.790 4.548 1.00 0.00 C ATOM 783 OH TYR A 52 -6.949 5.336 4.014 1.00 0.00 O ATOM 0 H TYR A 52 -4.206 1.011 6.517 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.548 1.619 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.642 3.877 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.628 2.670 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.152 1.866 4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.124 5.648 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.194 2.840 3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.169 6.624 5.443 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.118 6.209 4.426 1.00 0.00 H new ATOM 793 N GLY A 53 -2.629 3.389 9.220 1.00 0.00 N ATOM 794 CA GLY A 53 -3.283 4.004 10.360 1.00 0.00 C ATOM 795 C GLY A 53 -3.638 3.003 11.443 1.00 0.00 C ATOM 796 O GLY A 53 -3.711 1.802 11.188 1.00 0.00 O ATOM 0 H GLY A 53 -1.647 3.639 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.630 4.769 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.190 4.507 10.025 1.00 0.00 H new ATOM 800 N PHE A 54 -3.863 3.504 12.653 1.00 0.00 N ATOM 801 CA PHE A 54 -4.217 2.651 13.782 1.00 0.00 C ATOM 802 C PHE A 54 -5.619 2.992 14.292 1.00 0.00 C ATOM 803 O PHE A 54 -5.866 4.117 14.725 1.00 0.00 O ATOM 804 CB PHE A 54 -3.199 2.820 14.912 1.00 0.00 C ATOM 805 CG PHE A 54 -3.160 1.659 15.864 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.974 0.368 15.396 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.310 1.859 17.227 1.00 0.00 C ATOM 808 CE1 PHE A 54 -2.936 -0.702 16.270 1.00 0.00 C ATOM 809 CE2 PHE A 54 -3.275 0.793 18.106 1.00 0.00 C ATOM 810 CZ PHE A 54 -3.087 -0.490 17.626 1.00 0.00 C ATOM 0 H PHE A 54 -3.806 4.497 12.877 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.208 1.614 13.446 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.208 2.958 14.480 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.433 3.728 15.468 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.857 0.196 14.336 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.456 2.859 17.607 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.788 -1.703 15.893 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.394 0.962 19.166 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.058 -1.325 18.311 1.00 0.00 H new ATOM 820 N PRO A 55 -6.566 2.031 14.250 1.00 0.00 N ATOM 821 CA PRO A 55 -6.329 0.671 13.745 1.00 0.00 C ATOM 822 C PRO A 55 -6.018 0.651 12.248 1.00 0.00 C ATOM 823 O PRO A 55 -6.209 1.648 11.553 1.00 0.00 O ATOM 824 CB PRO A 55 -7.651 -0.062 14.022 1.00 0.00 C ATOM 825 CG PRO A 55 -8.386 0.799 14.992 1.00 0.00 C ATOM 826 CD PRO A 55 -7.952 2.206 14.703 1.00 0.00 C ATOM 0 HA PRO A 55 -5.465 0.212 14.226 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.224 -0.198 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.471 -1.054 14.436 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.464 0.690 14.872 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.150 0.520 16.019 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.572 2.672 13.937 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.011 2.838 15.589 1.00 0.00 H new ATOM 834 N PRO A 56 -5.533 -0.493 11.735 1.00 0.00 N ATOM 835 CA PRO A 56 -5.195 -0.644 10.319 1.00 0.00 C ATOM 836 C PRO A 56 -6.429 -0.650 9.429 1.00 0.00 C ATOM 837 O PRO A 56 -7.351 -1.442 9.628 1.00 0.00 O ATOM 838 CB PRO A 56 -4.486 -1.998 10.261 1.00 0.00 C ATOM 839 CG PRO A 56 -5.016 -2.751 11.429 1.00 0.00 C ATOM 840 CD PRO A 56 -5.279 -1.727 12.497 1.00 0.00 C ATOM 0 HA PRO A 56 -4.586 0.184 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.698 -2.517 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.404 -1.882 10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.929 -3.285 11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.298 -3.496 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.135 -2.001 13.114 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.426 -1.617 13.166 1.00 0.00 H new ATOM 848 N LYS A 57 -6.436 0.240 8.448 1.00 0.00 N ATOM 849 CA LYS A 57 -7.552 0.347 7.516 1.00 0.00 C ATOM 850 C LYS A 57 -7.349 -0.580 6.325 1.00 0.00 C ATOM 851 O LYS A 57 -6.314 -1.233 6.205 1.00 0.00 O ATOM 852 CB LYS A 57 -7.701 1.789 7.030 1.00 0.00 C ATOM 853 CG LYS A 57 -8.171 2.751 8.109 1.00 0.00 C ATOM 854 CD LYS A 57 -7.688 4.168 7.841 1.00 0.00 C ATOM 855 CE LYS A 57 -8.603 4.897 6.870 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.087 6.190 7.429 1.00 0.00 N ATOM 0 H LYS A 57 -5.679 0.902 8.275 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.461 0.051 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.743 2.133 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.408 1.813 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.260 2.740 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.804 2.418 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.639 4.720 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.677 4.138 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.070 5.081 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.456 4.263 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.708 6.657 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.617 6.012 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.274 6.805 7.635 1.00 0.00 H new ATOM 870 N GLU A 58 -8.342 -0.630 5.446 1.00 0.00 N ATOM 871 CA GLU A 58 -8.268 -1.475 4.263 1.00 0.00 C ATOM 872 C GLU A 58 -8.259 -0.630 2.994 1.00 0.00 C ATOM 873 O GLU A 58 -9.250 -0.580 2.268 1.00 0.00 O ATOM 874 CB GLU A 58 -9.443 -2.454 4.233 1.00 0.00 C ATOM 875 CG GLU A 58 -9.179 -3.690 3.390 1.00 0.00 C ATOM 876 CD GLU A 58 -10.282 -4.724 3.512 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.442 -4.329 3.756 1.00 0.00 O ATOM 878 OE2 GLU A 58 -9.986 -5.928 3.363 1.00 0.00 O ATOM 0 H GLU A 58 -9.207 -0.096 5.531 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.338 -2.041 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.676 -2.762 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.324 -1.941 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.074 -3.397 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.232 -4.137 3.693 1.00 0.00 H new ATOM 885 N LEU A 59 -7.130 0.034 2.741 1.00 0.00 N ATOM 886 CA LEU A 59 -6.966 0.887 1.563 1.00 0.00 C ATOM 887 C LEU A 59 -7.549 0.229 0.315 1.00 0.00 C ATOM 888 O LEU A 59 -6.845 -0.449 -0.432 1.00 0.00 O ATOM 889 CB LEU A 59 -5.483 1.201 1.345 1.00 0.00 C ATOM 890 CG LEU A 59 -5.188 2.405 0.447 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.023 3.608 0.864 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.706 2.746 0.489 1.00 0.00 C ATOM 0 H LEU A 59 -6.308 -0.004 3.343 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.510 1.815 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.020 1.373 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.003 0.322 0.914 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.457 2.143 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.797 4.452 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.082 3.361 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.789 3.873 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.512 3.604 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.417 2.987 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.126 1.892 0.140 1.00 0.00 H new ATOM 904 N MET A 60 -8.843 0.434 0.107 1.00 0.00 N ATOM 905 CA MET A 60 -9.542 -0.135 -1.039 1.00 0.00 C ATOM 906 C MET A 60 -9.116 0.548 -2.336 1.00 0.00 C ATOM 907 O MET A 60 -8.641 1.683 -2.322 1.00 0.00 O ATOM 908 CB MET A 60 -11.053 -0.002 -0.850 1.00 0.00 C ATOM 909 CG MET A 60 -11.519 1.437 -0.697 1.00 0.00 C ATOM 910 SD MET A 60 -13.169 1.563 0.017 1.00 0.00 S ATOM 911 CE MET A 60 -12.790 2.249 1.627 1.00 0.00 C ATOM 0 H MET A 60 -9.434 0.994 0.721 1.00 0.00 H new ATOM 0 HA MET A 60 -9.279 -1.191 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.559 -0.451 -1.705 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.352 -0.569 0.032 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.813 1.978 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.512 1.922 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.713 2.386 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.132 1.568 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.294 3.212 1.505 1.00 0.00 H new ATOM 921 N PRO A 61 -9.285 -0.138 -3.479 1.00 0.00 N ATOM 922 CA PRO A 61 -8.917 0.409 -4.788 1.00 0.00 C ATOM 923 C PRO A 61 -9.811 1.574 -5.198 1.00 0.00 C ATOM 924 O PRO A 61 -11.021 1.550 -4.970 1.00 0.00 O ATOM 925 CB PRO A 61 -9.105 -0.775 -5.740 1.00 0.00 C ATOM 926 CG PRO A 61 -10.086 -1.665 -5.059 1.00 0.00 C ATOM 927 CD PRO A 61 -9.846 -1.498 -3.584 1.00 0.00 C ATOM 0 HA PRO A 61 -7.904 0.812 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.478 -0.446 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.162 -1.291 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.108 -1.391 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.946 -2.703 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.769 -1.597 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.154 -2.248 -3.202 1.00 0.00 H new ATOM 935 N PRO A 62 -9.224 2.617 -5.811 1.00 0.00 N ATOM 936 CA PRO A 62 -9.974 3.797 -6.251 1.00 0.00 C ATOM 937 C PRO A 62 -10.942 3.482 -7.386 1.00 0.00 C ATOM 938 O PRO A 62 -11.148 2.321 -7.737 1.00 0.00 O ATOM 939 CB PRO A 62 -8.883 4.758 -6.731 1.00 0.00 C ATOM 940 CG PRO A 62 -7.727 3.885 -7.074 1.00 0.00 C ATOM 941 CD PRO A 62 -7.787 2.728 -6.120 1.00 0.00 C ATOM 0 HA PRO A 62 -10.595 4.202 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.215 5.332 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.619 5.476 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.789 3.543 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.786 4.426 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.401 1.814 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.196 2.915 -5.223 1.00 0.00 H new ATOM 949 N GLN A 63 -11.534 4.527 -7.955 1.00 0.00 N ATOM 950 CA GLN A 63 -12.482 4.369 -9.051 1.00 0.00 C ATOM 951 C GLN A 63 -12.443 5.580 -9.979 1.00 0.00 C ATOM 952 O GLN A 63 -11.515 6.388 -9.921 1.00 0.00 O ATOM 953 CB GLN A 63 -13.897 4.173 -8.503 1.00 0.00 C ATOM 954 CG GLN A 63 -14.709 3.138 -9.267 1.00 0.00 C ATOM 955 CD GLN A 63 -16.033 3.686 -9.765 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.452 3.402 -10.887 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.699 4.473 -8.930 1.00 0.00 N ATOM 0 H GLN A 63 -11.373 5.494 -7.674 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.198 3.486 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.834 3.873 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.423 5.127 -8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.127 2.779 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.895 2.279 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.314 4.682 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.596 4.869 -9.209 1.00 0.00 H new ATOM 966 N ALA A 64 -13.454 5.702 -10.833 1.00 0.00 N ATOM 967 CA ALA A 64 -13.534 6.817 -11.772 1.00 0.00 C ATOM 968 C ALA A 64 -13.427 8.154 -11.047 1.00 0.00 C ATOM 969 O ALA A 64 -14.375 8.600 -10.400 1.00 0.00 O ATOM 970 CB ALA A 64 -14.830 6.745 -12.565 1.00 0.00 C ATOM 0 H ALA A 64 -14.230 5.043 -10.895 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.694 6.741 -12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.877 7.582 -13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.865 5.808 -13.121 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.678 6.793 -11.882 1.00 0.00 H new ATOM 976 N GLY A 65 -12.263 8.789 -11.158 1.00 0.00 N ATOM 977 CA GLY A 65 -12.051 10.069 -10.505 1.00 0.00 C ATOM 978 C GLY A 65 -11.114 9.968 -9.315 1.00 0.00 C ATOM 979 O GLY A 65 -10.605 10.979 -8.831 1.00 0.00 O ATOM 0 H GLY A 65 -11.464 8.440 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.642 10.777 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.010 10.468 -10.175 1.00 0.00 H new ATOM 983 N MET A 66 -10.885 8.746 -8.843 1.00 0.00 N ATOM 984 CA MET A 66 -10.002 8.516 -7.704 1.00 0.00 C ATOM 985 C MET A 66 -8.783 7.689 -8.110 1.00 0.00 C ATOM 986 O MET A 66 -7.773 7.670 -7.408 1.00 0.00 O ATOM 987 CB MET A 66 -10.763 7.809 -6.579 1.00 0.00 C ATOM 988 CG MET A 66 -11.284 8.755 -5.509 1.00 0.00 C ATOM 989 SD MET A 66 -12.584 8.014 -4.503 1.00 0.00 S ATOM 990 CE MET A 66 -13.120 9.431 -3.546 1.00 0.00 C ATOM 0 H MET A 66 -11.299 7.899 -9.232 1.00 0.00 H new ATOM 0 HA MET A 66 -9.653 9.485 -7.347 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.602 7.261 -7.008 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.107 7.074 -6.114 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.459 9.058 -4.864 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.667 9.659 -5.983 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.924 9.133 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.283 9.814 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.480 10.209 -4.219 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.883 7.007 -9.247 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.788 6.184 -9.742 1.00 0.00 C ATOM 1002 C GLU A 67 -6.553 7.034 -10.024 1.00 0.00 C ATOM 1003 O GLU A 67 -5.427 6.536 -10.003 1.00 0.00 O ATOM 1004 CB GLU A 67 -8.214 5.443 -11.013 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.979 6.311 -12.000 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.040 5.701 -13.388 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -9.097 4.457 -13.487 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.032 6.467 -14.374 1.00 0.00 O ATOM 0 H GLU A 67 -9.712 7.009 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.536 5.455 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.327 5.044 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.834 4.591 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.993 6.467 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.506 7.291 -12.058 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.771 8.319 -10.287 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.677 9.239 -10.573 1.00 0.00 C ATOM 1017 C LYS A 68 -5.280 10.025 -9.327 1.00 0.00 C ATOM 1018 O LYS A 68 -4.661 11.085 -9.423 1.00 0.00 O ATOM 1019 CB LYS A 68 -6.072 10.200 -11.696 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.875 9.540 -12.807 1.00 0.00 C ATOM 1021 CD LYS A 68 -5.997 8.656 -13.678 1.00 0.00 C ATOM 1022 CE LYS A 68 -5.760 7.299 -13.032 1.00 0.00 C ATOM 1023 NZ LYS A 68 -5.430 6.254 -14.040 1.00 0.00 N ATOM 0 H LYS A 68 -7.697 8.746 -10.308 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.817 8.651 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.655 11.018 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.170 10.638 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.677 8.943 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.346 10.307 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.468 8.520 -14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.041 9.149 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.946 7.377 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.650 7.001 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.276 5.345 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.217 6.161 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.566 6.526 -14.552 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.638 9.501 -8.158 1.00 0.00 N ATOM 1038 CA GLU A 69 -5.313 10.157 -6.897 1.00 0.00 C ATOM 1039 C GLU A 69 -4.209 9.398 -6.160 1.00 0.00 C ATOM 1040 O GLU A 69 -4.196 8.168 -6.146 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.561 10.258 -6.018 1.00 0.00 C ATOM 1042 CG GLU A 69 -7.198 11.639 -6.025 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.051 12.357 -4.698 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.977 11.672 -3.656 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.009 13.605 -4.700 1.00 0.00 O ATOM 0 H GLU A 69 -6.152 8.626 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.952 11.162 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.295 9.527 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.297 9.994 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.743 12.241 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.257 11.545 -6.268 1.00 0.00 H new ATOM 1052 N PRO A 70 -3.262 10.125 -5.538 1.00 0.00 N ATOM 1053 CA PRO A 70 -2.151 9.508 -4.805 1.00 0.00 C ATOM 1054 C PRO A 70 -2.606 8.815 -3.524 1.00 0.00 C ATOM 1055 O PRO A 70 -3.694 9.080 -3.014 1.00 0.00 O ATOM 1056 CB PRO A 70 -1.239 10.693 -4.475 1.00 0.00 C ATOM 1057 CG PRO A 70 -2.141 11.878 -4.471 1.00 0.00 C ATOM 1058 CD PRO A 70 -3.196 11.599 -5.506 1.00 0.00 C ATOM 0 HA PRO A 70 -1.666 8.727 -5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.754 10.562 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.447 10.801 -5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.588 12.025 -3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.591 12.788 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.155 12.038 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.924 12.010 -6.478 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.764 7.921 -3.016 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.072 7.180 -1.797 1.00 0.00 C ATOM 1068 C VAL A 71 -2.062 8.094 -0.571 1.00 0.00 C ATOM 1069 O VAL A 71 -1.515 9.197 -0.612 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.081 6.020 -1.573 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.446 4.829 -2.446 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.349 6.467 -1.840 1.00 0.00 C ATOM 0 H VAL A 71 -0.861 7.691 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.073 6.769 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.148 5.713 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.735 4.021 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.451 4.489 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.414 5.123 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.028 5.631 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.437 6.808 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.607 7.283 -1.165 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.677 7.644 0.538 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.749 8.421 1.784 1.00 0.00 C ATOM 1084 C PRO A 72 -1.461 8.363 2.602 1.00 0.00 C ATOM 1085 O PRO A 72 -1.402 8.881 3.718 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.873 7.720 2.544 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.758 6.299 2.119 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.363 6.341 0.668 1.00 0.00 C ATOM 0 HA PRO A 72 -2.911 9.482 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.753 7.826 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.848 8.136 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.012 5.771 2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.703 5.772 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.705 5.512 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.232 6.277 0.013 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.441 7.716 2.055 1.00 0.00 N ATOM 1097 CA LEU A 73 0.834 7.574 2.748 1.00 0.00 C ATOM 1098 C LEU A 73 1.871 8.552 2.207 1.00 0.00 C ATOM 1099 O LEU A 73 1.815 8.954 1.045 1.00 0.00 O ATOM 1100 CB LEU A 73 1.335 6.134 2.614 1.00 0.00 C ATOM 1101 CG LEU A 73 0.229 5.086 2.460 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.800 3.763 1.983 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.523 4.908 3.770 1.00 0.00 C ATOM 0 H LEU A 73 -0.471 7.281 1.133 1.00 0.00 H new ATOM 0 HA LEU A 73 0.681 7.806 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.998 6.073 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.931 5.887 3.492 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.474 5.440 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.005 3.035 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.286 3.904 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.529 3.399 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.305 4.160 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.169 4.580 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.973 5.857 4.063 1.00 0.00 H new ATOM 1115 N GLN A 74 2.813 8.937 3.063 1.00 0.00 N ATOM 1116 CA GLN A 74 3.862 9.875 2.677 1.00 0.00 C ATOM 1117 C GLN A 74 5.230 9.402 3.155 1.00 0.00 C ATOM 1118 O GLN A 74 5.355 8.347 3.777 1.00 0.00 O ATOM 1119 CB GLN A 74 3.564 11.263 3.246 1.00 0.00 C ATOM 1120 CG GLN A 74 2.386 11.956 2.581 1.00 0.00 C ATOM 1121 CD GLN A 74 2.528 12.027 1.072 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.535 12.507 0.553 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.515 11.547 0.360 1.00 0.00 N ATOM 0 H GLN A 74 2.871 8.614 4.029 1.00 0.00 H new ATOM 0 HA GLN A 74 3.881 9.927 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.366 11.173 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.450 11.888 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.468 11.425 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.290 12.965 2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.699 11.158 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.553 11.567 -0.659 1.00 0.00 H new ATOM 1132 N HIS A 75 6.255 10.195 2.856 1.00 0.00 N ATOM 1133 CA HIS A 75 7.622 9.869 3.246 1.00 0.00 C ATOM 1134 C HIS A 75 7.736 9.683 4.756 1.00 0.00 C ATOM 1135 O HIS A 75 7.663 10.648 5.517 1.00 0.00 O ATOM 1136 CB HIS A 75 8.578 10.970 2.785 1.00 0.00 C ATOM 1137 CG HIS A 75 9.998 10.514 2.659 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.567 9.579 3.498 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.969 10.870 1.783 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.825 9.380 3.144 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.092 10.150 2.107 1.00 0.00 N ATOM 0 H HIS A 75 6.163 11.072 2.343 1.00 0.00 H new ATOM 0 HA HIS A 75 7.894 8.929 2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.241 11.353 1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.532 11.799 3.491 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.877 11.586 0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.516 8.702 3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.989 10.202 1.624 1.00 0.00 H new ATOM 1150 N GLY A 76 7.922 8.439 5.180 1.00 0.00 N ATOM 1151 CA GLY A 76 8.051 8.151 6.597 1.00 0.00 C ATOM 1152 C GLY A 76 6.846 7.424 7.166 1.00 0.00 C ATOM 1153 O GLY A 76 6.728 7.271 8.381 1.00 0.00 O ATOM 0 H GLY A 76 7.986 7.625 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.943 7.547 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.195 9.085 7.140 1.00 0.00 H new ATOM 1157 N ASP A 77 5.950 6.974 6.293 1.00 0.00 N ATOM 1158 CA ASP A 77 4.756 6.261 6.734 1.00 0.00 C ATOM 1159 C ASP A 77 5.020 4.762 6.826 1.00 0.00 C ATOM 1160 O ASP A 77 6.139 4.301 6.598 1.00 0.00 O ATOM 1161 CB ASP A 77 3.592 6.529 5.779 1.00 0.00 C ATOM 1162 CG ASP A 77 2.325 6.932 6.510 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.732 6.066 7.188 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.928 8.110 6.404 1.00 0.00 O ATOM 0 H ASP A 77 6.027 7.089 5.282 1.00 0.00 H new ATOM 0 HA ASP A 77 4.492 6.626 7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.872 7.318 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.398 5.635 5.187 1.00 0.00 H new ATOM 1169 N ARG A 78 3.980 4.007 7.157 1.00 0.00 N ATOM 1170 CA ARG A 78 4.087 2.558 7.276 1.00 0.00 C ATOM 1171 C ARG A 78 2.786 1.895 6.852 1.00 0.00 C ATOM 1172 O ARG A 78 1.703 2.441 7.062 1.00 0.00 O ATOM 1173 CB ARG A 78 4.436 2.163 8.711 1.00 0.00 C ATOM 1174 CG ARG A 78 3.618 2.898 9.761 1.00 0.00 C ATOM 1175 CD ARG A 78 4.376 4.089 10.325 1.00 0.00 C ATOM 1176 NE ARG A 78 3.942 4.423 11.679 1.00 0.00 N ATOM 1177 CZ ARG A 78 2.831 5.102 11.956 1.00 0.00 C ATOM 1178 NH1 ARG A 78 2.041 5.523 10.975 1.00 0.00 N ATOM 1179 NH2 ARG A 78 2.510 5.363 13.215 1.00 0.00 N ATOM 0 H ARG A 78 3.049 4.376 7.349 1.00 0.00 H new ATOM 0 HA ARG A 78 4.885 2.217 6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.285 1.090 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.494 2.357 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.680 3.237 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.361 2.213 10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.444 3.870 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.231 4.952 9.675 1.00 0.00 H new ATOM 0 HE ARG A 78 4.525 4.118 12.459 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.284 5.326 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.191 6.043 11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.114 5.044 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.659 5.883 13.427 1.00 0.00 H new ATOM 1193 N ILE A 79 2.896 0.722 6.242 1.00 0.00 N ATOM 1194 CA ILE A 79 1.721 0.004 5.779 1.00 0.00 C ATOM 1195 C ILE A 79 1.861 -1.499 5.975 1.00 0.00 C ATOM 1196 O ILE A 79 2.963 -2.016 6.157 1.00 0.00 O ATOM 1197 CB ILE A 79 1.443 0.288 4.292 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.752 0.456 3.516 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.573 1.523 4.149 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.550 0.695 2.036 1.00 0.00 C ATOM 0 H ILE A 79 3.782 0.252 6.058 1.00 0.00 H new ATOM 0 HA ILE A 79 0.886 0.362 6.381 1.00 0.00 H new ATOM 0 HB ILE A 79 0.910 -0.564 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.311 1.292 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.363 -0.437 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.383 1.714 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.374 1.363 4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.084 2.381 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.519 0.805 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.019 -0.151 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.966 1.604 1.891 1.00 0.00 H new ATOM 1212 N THR A 80 0.730 -2.193 5.927 1.00 0.00 N ATOM 1213 CA THR A 80 0.709 -3.639 6.089 1.00 0.00 C ATOM 1214 C THR A 80 -0.058 -4.294 4.948 1.00 0.00 C ATOM 1215 O THR A 80 -1.183 -3.902 4.636 1.00 0.00 O ATOM 1216 CB THR A 80 0.072 -4.015 7.426 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.762 -3.403 8.501 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.054 -5.507 7.680 1.00 0.00 C ATOM 0 H THR A 80 -0.188 -1.774 5.776 1.00 0.00 H new ATOM 0 HA THR A 80 1.738 -3.999 6.073 1.00 0.00 H new ATOM 0 HB THR A 80 -0.957 -3.660 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.338 -3.655 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.411 -5.706 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.515 -6.003 6.894 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.075 -5.888 7.684 1.00 0.00 H new ATOM 1226 N ILE A 81 0.557 -5.292 4.327 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.067 -5.999 3.219 1.00 0.00 C ATOM 1228 C ILE A 81 -0.637 -7.339 3.668 1.00 0.00 C ATOM 1229 O ILE A 81 -0.170 -7.929 4.641 1.00 0.00 O ATOM 1230 CB ILE A 81 0.934 -6.242 2.073 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.684 -4.952 1.738 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.213 -6.779 0.846 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.773 -3.795 1.387 1.00 0.00 C ATOM 0 H ILE A 81 1.488 -5.629 4.573 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.877 -5.365 2.860 1.00 0.00 H new ATOM 0 HB ILE A 81 1.661 -6.986 2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.304 -4.670 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.358 -5.140 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.933 -6.946 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.277 -7.720 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.534 -6.056 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.374 -2.914 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.171 -4.057 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.117 -3.580 2.230 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.645 -7.816 2.950 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.271 -9.091 3.270 1.00 0.00 C ATOM 1247 C GLU A 82 -2.487 -9.912 2.001 1.00 0.00 C ATOM 1248 O GLU A 82 -3.235 -9.510 1.109 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.603 -8.863 3.999 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.599 -10.006 3.853 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.854 -9.795 4.678 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.519 -8.754 4.493 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.173 -10.671 5.509 1.00 0.00 O ATOM 0 H GLU A 82 -2.046 -7.339 2.143 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.607 -9.649 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.402 -8.705 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.059 -7.948 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.872 -10.113 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.123 -10.939 4.155 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.827 -11.064 1.927 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.950 -11.937 0.768 1.00 0.00 C ATOM 1262 C ILE A 83 -3.375 -12.464 0.631 1.00 0.00 C ATOM 1263 O ILE A 83 -3.816 -13.307 1.412 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.971 -13.125 0.847 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.476 -12.622 0.872 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.189 -14.073 -0.327 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.145 -12.755 2.223 1.00 0.00 C ATOM 0 H ILE A 83 -1.203 -11.413 2.655 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.702 -11.339 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.162 -13.672 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.056 -13.175 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.492 -11.575 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.490 -14.906 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.210 -14.453 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.023 -13.538 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.166 -12.379 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.589 -12.178 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.162 -13.804 2.519 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.089 -11.959 -0.369 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.463 -12.376 -0.612 1.00 0.00 C ATOM 1281 C LEU A 84 -5.509 -13.777 -1.213 1.00 0.00 C ATOM 1282 O LEU A 84 -4.473 -14.362 -1.529 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.165 -11.384 -1.542 1.00 0.00 C ATOM 1284 CG LEU A 84 -6.108 -9.923 -1.090 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.939 -9.046 -2.014 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.588 -9.790 0.348 1.00 0.00 C ATOM 0 H LEU A 84 -3.738 -11.260 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.984 -12.394 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.718 -11.460 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.210 -11.678 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.072 -9.588 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.887 -8.011 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.550 -9.117 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.976 -9.381 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.540 -8.744 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.617 -10.143 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.951 -10.387 1.001 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.716 -14.309 -1.367 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.898 -15.640 -1.928 1.00 0.00 C ATOM 1300 C LYS A 85 -7.201 -15.561 -3.419 1.00 0.00 C ATOM 1301 O LYS A 85 -8.342 -15.338 -3.823 1.00 0.00 O ATOM 1302 CB LYS A 85 -8.028 -16.374 -1.201 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.537 -17.434 -0.230 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.808 -18.557 -0.951 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.474 -18.873 -0.292 1.00 0.00 C ATOM 1306 NZ LYS A 85 -5.210 -20.337 -0.245 1.00 0.00 N ATOM 0 H LYS A 85 -7.583 -13.837 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.970 -16.196 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.632 -15.647 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.680 -16.842 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.871 -16.977 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.383 -17.844 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.432 -19.451 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.643 -18.276 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.672 -18.377 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.465 -18.470 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.292 -20.510 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.961 -20.808 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.193 -20.718 -1.213 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.167 -15.748 -4.229 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.332 -15.697 -5.669 1.00 0.00 C ATOM 1322 C GLY A 86 -6.793 -17.022 -6.247 1.00 0.00 C ATOM 1323 O GLY A 86 -6.349 -17.371 -7.361 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.596 -17.711 -5.584 1.00 0.00 O ATOM 0 H GLY A 86 -5.215 -15.934 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.056 -14.922 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.386 -15.412 -6.130 1.00 0.00 H new