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 Set 1.1: A 8 LYS NZ :NH3+ -155:sc= -0.0567 (180deg=-1.14) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.0459 K(o=-0.1,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 14 THR OG1 : rot -31:sc= -3.24! USER MOD Single : A 15 ASN : amide:sc= -2.84 K(o=-2.8,f=-0.44) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -19:sc= 0.385 USER MOD Single : A 21 MET CE :methyl 144:sc= -1.52! (180deg=-2.12!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.17 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 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -123:sc= -1.38 USER MOD Single : A 29 THR OG1 : rot 162:sc= 0.0927 USER MOD Single : A 34 GLN : amide:sc= 0.831 K(o=0.83,f=-0.17) USER MOD Single : A 36 SER OG : rot -130:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0983 X(o=-0.098,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.83! C(o=-5.8!,f=-12!) USER MOD Single : A 49 CYS SG : rot 180:sc= -2 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.05 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= -0.282 X(o=-0.28,f=-0.028) USER MOD Single : A 66 MET CE :methyl 176:sc= -0.81 (180deg=-0.836) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.02 X(o=-2,f=-2.4) 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 11.109 11.004 -4.802 1.00 0.00 N ATOM 24 CA GLU A 7 9.904 10.320 -4.349 1.00 0.00 C ATOM 25 C GLU A 7 9.943 10.096 -2.840 1.00 0.00 C ATOM 26 O GLU A 7 10.925 10.435 -2.179 1.00 0.00 O ATOM 27 CB GLU A 7 9.752 8.980 -5.074 1.00 0.00 C ATOM 28 CG GLU A 7 11.055 8.210 -5.212 1.00 0.00 C ATOM 29 CD GLU A 7 11.760 8.486 -6.526 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.063 8.625 -7.555 1.00 0.00 O ATOM 31 OE2 GLU A 7 13.006 8.561 -6.528 1.00 0.00 O ATOM 0 HA GLU A 7 9.046 10.950 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.032 8.365 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.339 9.159 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.717 8.473 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.852 7.142 -5.130 1.00 0.00 H new ATOM 38 N LYS A 8 8.872 9.523 -2.300 1.00 0.00 N ATOM 39 CA LYS A 8 8.789 9.256 -0.872 1.00 0.00 C ATOM 40 C LYS A 8 9.080 7.789 -0.575 1.00 0.00 C ATOM 41 O LYS A 8 8.892 6.922 -1.429 1.00 0.00 O ATOM 42 CB LYS A 8 7.408 9.636 -0.332 1.00 0.00 C ATOM 43 CG LYS A 8 6.275 8.767 -0.859 1.00 0.00 C ATOM 44 CD LYS A 8 5.215 9.598 -1.565 1.00 0.00 C ATOM 45 CE LYS A 8 3.879 8.874 -1.611 1.00 0.00 C ATOM 46 NZ LYS A 8 2.838 9.673 -2.316 1.00 0.00 N ATOM 0 H LYS A 8 8.050 9.235 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 8 9.542 9.866 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.425 9.572 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.203 10.676 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.676 8.025 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.820 8.221 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.096 10.551 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.543 9.823 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.003 7.915 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.547 8.661 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.896 9.388 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.984 10.684 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.907 9.506 -3.340 1.00 0.00 H new ATOM 60 N LYS A 9 9.534 7.522 0.643 1.00 0.00 N ATOM 61 CA LYS A 9 9.847 6.163 1.063 1.00 0.00 C ATOM 62 C LYS A 9 8.912 5.724 2.182 1.00 0.00 C ATOM 63 O LYS A 9 8.681 6.466 3.138 1.00 0.00 O ATOM 64 CB LYS A 9 11.303 6.066 1.526 1.00 0.00 C ATOM 65 CG LYS A 9 11.675 4.702 2.088 1.00 0.00 C ATOM 66 CD LYS A 9 11.767 4.730 3.605 1.00 0.00 C ATOM 67 CE LYS A 9 13.196 4.953 4.073 1.00 0.00 C ATOM 68 NZ LYS A 9 13.313 4.882 5.556 1.00 0.00 N ATOM 0 H LYS A 9 9.694 8.231 1.359 1.00 0.00 H new ATOM 0 HA LYS A 9 9.708 5.500 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.958 6.294 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.485 6.825 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.932 3.966 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.630 4.384 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.128 5.522 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.393 3.790 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.847 4.204 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.543 5.927 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.303 5.039 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.712 5.613 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.006 3.944 5.884 1.00 0.00 H new ATOM 82 N ILE A 10 8.371 4.520 2.055 1.00 0.00 N ATOM 83 CA ILE A 10 7.453 3.991 3.056 1.00 0.00 C ATOM 84 C ILE A 10 7.808 2.549 3.411 1.00 0.00 C ATOM 85 O ILE A 10 8.552 1.889 2.687 1.00 0.00 O ATOM 86 CB ILE A 10 5.983 4.058 2.580 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.844 4.959 1.347 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.092 4.566 3.703 1.00 0.00 C ATOM 89 CD1 ILE A 10 6.073 6.427 1.639 1.00 0.00 C ATOM 0 H ILE A 10 8.551 3.892 1.271 1.00 0.00 H new ATOM 0 HA ILE A 10 7.556 4.617 3.942 1.00 0.00 H new ATOM 0 HB ILE A 10 5.669 3.052 2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.555 4.633 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.847 4.832 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.059 4.609 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.161 3.891 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.416 5.563 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.958 7.003 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.346 6.769 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.080 6.567 2.032 1.00 0.00 H new ATOM 101 N ARG A 11 7.281 2.070 4.534 1.00 0.00 N ATOM 102 CA ARG A 11 7.557 0.708 4.982 1.00 0.00 C ATOM 103 C ARG A 11 6.402 -0.226 4.645 1.00 0.00 C ATOM 104 O ARG A 11 5.255 0.204 4.533 1.00 0.00 O ATOM 105 CB ARG A 11 7.818 0.687 6.490 1.00 0.00 C ATOM 106 CG ARG A 11 8.190 -0.688 7.022 1.00 0.00 C ATOM 107 CD ARG A 11 8.285 -0.693 8.539 1.00 0.00 C ATOM 108 NE ARG A 11 9.496 -0.026 9.014 1.00 0.00 N ATOM 109 CZ ARG A 11 9.700 0.325 10.282 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.777 0.079 11.203 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.831 0.922 10.630 1.00 0.00 N ATOM 0 H ARG A 11 6.664 2.601 5.148 1.00 0.00 H new ATOM 0 HA ARG A 11 8.447 0.358 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.621 1.387 6.722 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.927 1.040 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.446 -1.417 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.144 -0.998 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.410 -0.197 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.272 -1.722 8.900 1.00 0.00 H new ATOM 0 HE ARG A 11 10.227 0.183 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.905 -0.381 10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.939 0.350 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.545 1.112 9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.988 1.191 11.601 1.00 0.00 H new ATOM 125 N ILE A 12 6.713 -1.509 4.488 1.00 0.00 N ATOM 126 CA ILE A 12 5.701 -2.508 4.167 1.00 0.00 C ATOM 127 C ILE A 12 5.872 -3.756 5.024 1.00 0.00 C ATOM 128 O ILE A 12 6.989 -4.118 5.394 1.00 0.00 O ATOM 129 CB ILE A 12 5.761 -2.929 2.687 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.678 -1.710 1.765 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.640 -3.910 2.384 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.346 -1.926 0.422 1.00 0.00 C ATOM 0 H ILE A 12 7.659 -1.881 4.578 1.00 0.00 H new ATOM 0 HA ILE A 12 4.736 -2.043 4.371 1.00 0.00 H new ATOM 0 HB ILE A 12 6.718 -3.418 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.630 -1.455 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.141 -0.857 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.688 -4.204 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.749 -4.793 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.679 -3.437 2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.250 -1.023 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.402 -2.151 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.867 -2.759 -0.093 1.00 0.00 H new ATOM 144 N THR A 13 4.760 -4.417 5.327 1.00 0.00 N ATOM 145 CA THR A 13 4.797 -5.631 6.131 1.00 0.00 C ATOM 146 C THR A 13 3.640 -6.563 5.790 1.00 0.00 C ATOM 147 O THR A 13 2.477 -6.214 5.979 1.00 0.00 O ATOM 148 CB THR A 13 4.767 -5.290 7.615 1.00 0.00 C ATOM 149 OG1 THR A 13 5.337 -4.015 7.851 1.00 0.00 O ATOM 150 CG2 THR A 13 5.516 -6.294 8.453 1.00 0.00 C ATOM 0 H THR A 13 3.827 -4.134 5.029 1.00 0.00 H new ATOM 0 HA THR A 13 5.729 -6.148 5.901 1.00 0.00 H new ATOM 0 HB THR A 13 3.716 -5.302 7.903 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.306 -3.815 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.463 -6.004 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.068 -7.280 8.326 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.559 -6.326 8.137 1.00 0.00 H new ATOM 158 N THR A 14 3.962 -7.754 5.293 1.00 0.00 N ATOM 159 CA THR A 14 2.936 -8.726 4.932 1.00 0.00 C ATOM 160 C THR A 14 2.529 -9.575 6.127 1.00 0.00 C ATOM 161 O THR A 14 3.365 -9.955 6.957 1.00 0.00 O ATOM 162 CB THR A 14 3.402 -9.631 3.792 1.00 0.00 C ATOM 163 OG1 THR A 14 4.006 -10.815 4.285 1.00 0.00 O ATOM 164 CG2 THR A 14 4.385 -8.958 2.865 1.00 0.00 C ATOM 0 H THR A 14 4.919 -8.067 5.132 1.00 0.00 H new ATOM 0 HA THR A 14 2.068 -8.159 4.596 1.00 0.00 H new ATOM 0 HB THR A 14 2.498 -9.868 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.443 -10.627 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.677 -9.653 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.921 -8.078 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.268 -8.656 3.428 1.00 0.00 H new ATOM 172 N ASN A 15 1.234 -9.868 6.186 1.00 0.00 N ATOM 173 CA ASN A 15 0.654 -10.671 7.256 1.00 0.00 C ATOM 174 C ASN A 15 1.429 -11.969 7.469 1.00 0.00 C ATOM 175 O ASN A 15 1.434 -12.523 8.568 1.00 0.00 O ATOM 176 CB ASN A 15 -0.825 -10.960 6.944 1.00 0.00 C ATOM 177 CG ASN A 15 -1.050 -12.284 6.238 1.00 0.00 C ATOM 178 OD1 ASN A 15 -1.558 -13.237 6.829 1.00 0.00 O ATOM 179 ND2 ASN A 15 -0.672 -12.346 4.972 1.00 0.00 N ATOM 0 H ASN A 15 0.556 -9.554 5.492 1.00 0.00 H new ATOM 0 HA ASN A 15 0.719 -10.103 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.392 -10.953 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.221 -10.155 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.797 -13.210 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.255 -11.530 4.524 1.00 0.00 H new ATOM 186 N ASP A 16 2.084 -12.448 6.417 1.00 0.00 N ATOM 187 CA ASP A 16 2.861 -13.678 6.512 1.00 0.00 C ATOM 188 C ASP A 16 3.953 -13.540 7.569 1.00 0.00 C ATOM 189 O ASP A 16 4.439 -14.535 8.107 1.00 0.00 O ATOM 190 CB ASP A 16 3.475 -14.029 5.157 1.00 0.00 C ATOM 191 CG ASP A 16 2.740 -15.165 4.471 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.492 -15.177 4.515 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.413 -16.043 3.890 1.00 0.00 O ATOM 0 H ASP A 16 2.093 -12.008 5.497 1.00 0.00 H new ATOM 0 HA ASP A 16 2.191 -14.485 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.460 -13.149 4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.520 -14.306 5.295 1.00 0.00 H new ATOM 198 N GLY A 17 4.328 -12.299 7.865 1.00 0.00 N ATOM 199 CA GLY A 17 5.352 -12.051 8.860 1.00 0.00 C ATOM 200 C GLY A 17 6.624 -11.489 8.261 1.00 0.00 C ATOM 201 O GLY A 17 7.713 -11.713 8.788 1.00 0.00 O ATOM 0 H GLY A 17 3.940 -11.461 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.968 -11.355 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.580 -12.981 9.380 1.00 0.00 H new ATOM 205 N ARG A 18 6.494 -10.760 7.155 1.00 0.00 N ATOM 206 CA ARG A 18 7.661 -10.175 6.500 1.00 0.00 C ATOM 207 C ARG A 18 7.447 -8.690 6.217 1.00 0.00 C ATOM 208 O ARG A 18 6.312 -8.229 6.124 1.00 0.00 O ATOM 209 CB ARG A 18 7.977 -10.934 5.208 1.00 0.00 C ATOM 210 CG ARG A 18 7.148 -10.498 4.014 1.00 0.00 C ATOM 211 CD ARG A 18 7.338 -11.438 2.839 1.00 0.00 C ATOM 212 NE ARG A 18 7.090 -12.830 3.203 1.00 0.00 N ATOM 213 CZ ARG A 18 5.909 -13.432 3.088 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.843 -12.752 2.681 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.790 -14.716 3.398 1.00 0.00 N ATOM 0 H ARG A 18 5.604 -10.562 6.698 1.00 0.00 H new ATOM 0 HA ARG A 18 8.513 -10.264 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.033 -10.802 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.819 -11.999 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.094 -10.468 4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.430 -9.486 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.665 -11.149 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.354 -11.339 2.457 1.00 0.00 H new ATOM 0 HE ARG A 18 7.871 -13.375 3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.926 -11.761 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.941 -13.221 2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.603 -15.239 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.886 -15.180 3.311 1.00 0.00 H new ATOM 229 N GLN A 19 8.543 -7.945 6.086 1.00 0.00 N ATOM 230 CA GLN A 19 8.460 -6.510 5.820 1.00 0.00 C ATOM 231 C GLN A 19 9.510 -6.063 4.808 1.00 0.00 C ATOM 232 O GLN A 19 10.523 -6.732 4.603 1.00 0.00 O ATOM 233 CB GLN A 19 8.620 -5.705 7.116 1.00 0.00 C ATOM 234 CG GLN A 19 9.435 -6.412 8.189 1.00 0.00 C ATOM 235 CD GLN A 19 10.394 -5.478 8.900 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.531 -5.287 8.465 1.00 0.00 O ATOM 237 NE2 GLN A 19 9.942 -4.890 10.002 1.00 0.00 N ATOM 0 H GLN A 19 9.493 -8.308 6.159 1.00 0.00 H new ATOM 0 HA GLN A 19 7.473 -6.320 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.095 -4.752 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.631 -5.479 7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.759 -6.858 8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.997 -7.228 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.993 -5.076 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.544 -4.252 10.523 1.00 0.00 H new ATOM 246 N SER A 20 9.253 -4.917 4.183 1.00 0.00 N ATOM 247 CA SER A 20 10.160 -4.351 3.193 1.00 0.00 C ATOM 248 C SER A 20 9.832 -2.881 2.951 1.00 0.00 C ATOM 249 O SER A 20 8.697 -2.449 3.153 1.00 0.00 O ATOM 250 CB SER A 20 10.068 -5.129 1.881 1.00 0.00 C ATOM 251 OG SER A 20 10.305 -6.511 2.086 1.00 0.00 O ATOM 0 H SER A 20 8.415 -4.359 4.348 1.00 0.00 H new ATOM 0 HA SER A 20 11.178 -4.426 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.081 -4.988 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.794 -4.735 1.170 1.00 0.00 H new ATOM 0 HG SER A 20 10.770 -6.640 2.939 1.00 0.00 H new ATOM 257 N MET A 21 10.828 -2.117 2.518 1.00 0.00 N ATOM 258 CA MET A 21 10.638 -0.696 2.251 1.00 0.00 C ATOM 259 C MET A 21 10.597 -0.423 0.756 1.00 0.00 C ATOM 260 O MET A 21 11.066 -1.228 -0.047 1.00 0.00 O ATOM 261 CB MET A 21 11.745 0.131 2.920 1.00 0.00 C ATOM 262 CG MET A 21 13.076 0.117 2.178 1.00 0.00 C ATOM 263 SD MET A 21 14.062 -1.350 2.533 1.00 0.00 S ATOM 264 CE MET A 21 13.790 -2.307 1.043 1.00 0.00 C ATOM 0 H MET A 21 11.774 -2.457 2.344 1.00 0.00 H new ATOM 0 HA MET A 21 9.679 -0.398 2.675 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.405 1.163 3.013 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.902 -0.245 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.889 0.172 1.106 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.646 1.006 2.448 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.703 -2.844 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.984 -3.021 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.518 -1.639 0.226 1.00 0.00 H new ATOM 274 N VAL A 22 10.024 0.715 0.393 1.00 0.00 N ATOM 275 CA VAL A 22 9.908 1.092 -1.004 1.00 0.00 C ATOM 276 C VAL A 22 10.117 2.587 -1.196 1.00 0.00 C ATOM 277 O VAL A 22 10.206 3.344 -0.229 1.00 0.00 O ATOM 278 CB VAL A 22 8.533 0.702 -1.565 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.449 -0.799 -1.789 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.429 1.173 -0.633 1.00 0.00 C ATOM 0 H VAL A 22 9.633 1.392 1.048 1.00 0.00 H new ATOM 0 HA VAL A 22 10.687 0.554 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 22 8.401 1.193 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.466 -1.053 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.218 -1.105 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.602 -1.317 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.460 0.889 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.557 0.711 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.477 2.257 -0.531 1.00 0.00 H new ATOM 290 N THR A 23 10.192 3.005 -2.454 1.00 0.00 N ATOM 291 CA THR A 23 10.387 4.410 -2.786 1.00 0.00 C ATOM 292 C THR A 23 9.160 4.974 -3.496 1.00 0.00 C ATOM 293 O THR A 23 9.284 5.684 -4.494 1.00 0.00 O ATOM 294 CB THR A 23 11.624 4.576 -3.672 1.00 0.00 C ATOM 295 OG1 THR A 23 12.047 5.928 -3.695 1.00 0.00 O ATOM 296 CG2 THR A 23 11.394 4.143 -5.107 1.00 0.00 C ATOM 0 H THR A 23 10.120 2.388 -3.263 1.00 0.00 H new ATOM 0 HA THR A 23 10.535 4.963 -1.858 1.00 0.00 H new ATOM 0 HB THR A 23 12.384 3.932 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.839 6.013 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.309 4.286 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.113 3.090 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.594 4.741 -5.544 1.00 0.00 H new ATOM 304 N LEU A 24 7.975 4.648 -2.979 1.00 0.00 N ATOM 305 CA LEU A 24 6.723 5.118 -3.570 1.00 0.00 C ATOM 306 C LEU A 24 6.859 6.549 -4.084 1.00 0.00 C ATOM 307 O LEU A 24 7.438 7.406 -3.418 1.00 0.00 O ATOM 308 CB LEU A 24 5.585 5.029 -2.550 1.00 0.00 C ATOM 309 CG LEU A 24 4.323 4.322 -3.051 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.627 2.876 -3.411 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.222 4.391 -2.004 1.00 0.00 C ATOM 0 H LEU A 24 7.856 4.061 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 24 6.490 4.474 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.950 4.506 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.318 6.038 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 24 3.977 4.833 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.718 2.390 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.383 2.848 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.999 2.352 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.333 3.883 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.560 3.905 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.984 5.434 -1.795 1.00 0.00 H new ATOM 323 N LYS A 25 6.327 6.796 -5.273 1.00 0.00 N ATOM 324 CA LYS A 25 6.391 8.119 -5.876 1.00 0.00 C ATOM 325 C LYS A 25 5.409 9.039 -5.194 1.00 0.00 C ATOM 326 O LYS A 25 4.688 8.625 -4.286 1.00 0.00 O ATOM 327 CB LYS A 25 6.081 8.070 -7.375 1.00 0.00 C ATOM 328 CG LYS A 25 7.306 7.842 -8.247 1.00 0.00 C ATOM 329 CD LYS A 25 7.381 6.407 -8.739 1.00 0.00 C ATOM 330 CE LYS A 25 7.044 5.434 -7.626 1.00 0.00 C ATOM 331 NZ LYS A 25 7.439 4.038 -7.960 1.00 0.00 N ATOM 0 H LYS A 25 5.846 6.097 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 25 7.407 8.494 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.360 7.274 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.606 9.006 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.277 8.519 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.206 8.081 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.691 6.267 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.382 6.200 -9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.548 5.743 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.973 5.469 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.190 3.408 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.939 3.732 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.465 3.997 -8.124 1.00 0.00 H new ATOM 345 N SER A 26 5.370 10.282 -5.633 1.00 0.00 N ATOM 346 CA SER A 26 4.456 11.230 -5.044 1.00 0.00 C ATOM 347 C SER A 26 3.094 11.172 -5.732 1.00 0.00 C ATOM 348 O SER A 26 2.101 11.673 -5.208 1.00 0.00 O ATOM 349 CB SER A 26 5.026 12.648 -5.102 1.00 0.00 C ATOM 350 OG SER A 26 6.385 12.668 -4.701 1.00 0.00 O ATOM 0 H SER A 26 5.953 10.651 -6.384 1.00 0.00 H new ATOM 0 HA SER A 26 4.322 10.959 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.937 13.038 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.443 13.304 -4.456 1.00 0.00 H new ATOM 0 HG SER A 26 6.727 13.585 -4.748 1.00 0.00 H new ATOM 356 N SER A 27 3.055 10.544 -6.904 1.00 0.00 N ATOM 357 CA SER A 27 1.817 10.405 -7.659 1.00 0.00 C ATOM 358 C SER A 27 1.457 8.932 -7.818 1.00 0.00 C ATOM 359 O SER A 27 0.849 8.535 -8.812 1.00 0.00 O ATOM 360 CB SER A 27 1.955 11.061 -9.035 1.00 0.00 C ATOM 361 OG SER A 27 0.753 11.710 -9.413 1.00 0.00 O ATOM 0 H SER A 27 3.870 10.123 -7.351 1.00 0.00 H new ATOM 0 HA SER A 27 1.020 10.906 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.772 11.783 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.213 10.306 -9.777 1.00 0.00 H new ATOM 0 HG SER A 27 0.867 12.122 -10.295 1.00 0.00 H new ATOM 367 N THR A 28 1.842 8.125 -6.832 1.00 0.00 N ATOM 368 CA THR A 28 1.564 6.695 -6.864 1.00 0.00 C ATOM 369 C THR A 28 0.160 6.408 -6.342 1.00 0.00 C ATOM 370 O THR A 28 -0.080 6.416 -5.135 1.00 0.00 O ATOM 371 CB THR A 28 2.606 5.930 -6.037 1.00 0.00 C ATOM 372 OG1 THR A 28 3.814 5.793 -6.766 1.00 0.00 O ATOM 373 CG2 THR A 28 2.157 4.540 -5.622 1.00 0.00 C ATOM 0 H THR A 28 2.347 8.438 -6.003 1.00 0.00 H new ATOM 0 HA THR A 28 1.622 6.357 -7.899 1.00 0.00 H new ATOM 0 HB THR A 28 2.748 6.524 -5.134 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.043 4.843 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.945 4.061 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.254 4.615 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.949 3.944 -6.511 1.00 0.00 H new ATOM 381 N THR A 29 -0.762 6.145 -7.261 1.00 0.00 N ATOM 382 CA THR A 29 -2.139 5.843 -6.896 1.00 0.00 C ATOM 383 C THR A 29 -2.240 4.423 -6.355 1.00 0.00 C ATOM 384 O THR A 29 -1.301 3.639 -6.479 1.00 0.00 O ATOM 385 CB THR A 29 -3.059 6.010 -8.109 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.348 5.491 -7.840 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.545 5.319 -9.349 1.00 0.00 C ATOM 0 H THR A 29 -0.580 6.135 -8.265 1.00 0.00 H new ATOM 0 HA THR A 29 -2.454 6.539 -6.119 1.00 0.00 H new ATOM 0 HB THR A 29 -3.094 7.084 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.987 5.850 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.244 5.477 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.571 5.729 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.448 4.251 -9.156 1.00 0.00 H new ATOM 395 N PHE A 30 -3.381 4.095 -5.752 1.00 0.00 N ATOM 396 CA PHE A 30 -3.595 2.763 -5.193 1.00 0.00 C ATOM 397 C PHE A 30 -3.116 1.682 -6.157 1.00 0.00 C ATOM 398 O PHE A 30 -2.526 0.684 -5.743 1.00 0.00 O ATOM 399 CB PHE A 30 -5.075 2.555 -4.864 1.00 0.00 C ATOM 400 CG PHE A 30 -5.381 1.188 -4.318 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.964 0.828 -3.047 1.00 0.00 C ATOM 402 CD2 PHE A 30 -6.084 0.265 -5.077 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.244 -0.428 -2.542 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.366 -0.991 -4.576 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.946 -1.339 -3.308 1.00 0.00 C ATOM 0 H PHE A 30 -4.169 4.732 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.013 2.685 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.387 3.306 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.666 2.718 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.414 1.536 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.415 0.531 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.914 -0.697 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.915 -1.701 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.166 -2.321 -2.916 1.00 0.00 H new ATOM 415 N PHE A 31 -3.366 1.894 -7.443 1.00 0.00 N ATOM 416 CA PHE A 31 -2.949 0.945 -8.464 1.00 0.00 C ATOM 417 C PHE A 31 -1.431 0.907 -8.559 1.00 0.00 C ATOM 418 O PHE A 31 -0.831 -0.153 -8.737 1.00 0.00 O ATOM 419 CB PHE A 31 -3.540 1.328 -9.820 1.00 0.00 C ATOM 420 CG PHE A 31 -5.025 1.553 -9.788 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.886 0.540 -9.400 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.558 2.781 -10.148 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.253 0.746 -9.371 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.925 2.993 -10.120 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.772 1.975 -9.731 1.00 0.00 C ATOM 0 H PHE A 31 -3.855 2.714 -7.802 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.314 -0.043 -8.185 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.051 2.235 -10.177 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.316 0.541 -10.540 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.485 -0.422 -9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.899 3.581 -10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.914 -0.052 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.329 3.954 -10.402 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.839 2.139 -9.708 1.00 0.00 H new ATOM 435 N GLU A 32 -0.819 2.078 -8.435 1.00 0.00 N ATOM 436 CA GLU A 32 0.633 2.192 -8.502 1.00 0.00 C ATOM 437 C GLU A 32 1.277 1.589 -7.259 1.00 0.00 C ATOM 438 O GLU A 32 2.381 1.046 -7.321 1.00 0.00 O ATOM 439 CB GLU A 32 1.046 3.657 -8.649 1.00 0.00 C ATOM 440 CG GLU A 32 0.954 4.173 -10.076 1.00 0.00 C ATOM 441 CD GLU A 32 2.232 3.951 -10.860 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.256 4.579 -10.517 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.210 3.149 -11.817 1.00 0.00 O ATOM 0 H GLU A 32 -1.305 2.962 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 32 0.979 1.639 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.413 4.271 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.070 3.775 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.129 3.676 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.723 5.238 -10.059 1.00 0.00 H new ATOM 450 N LEU A 33 0.577 1.679 -6.133 1.00 0.00 N ATOM 451 CA LEU A 33 1.079 1.134 -4.876 1.00 0.00 C ATOM 452 C LEU A 33 1.017 -0.389 -4.893 1.00 0.00 C ATOM 453 O LEU A 33 1.906 -1.063 -4.371 1.00 0.00 O ATOM 454 CB LEU A 33 0.270 1.680 -3.695 1.00 0.00 C ATOM 455 CG LEU A 33 0.562 1.021 -2.345 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.055 1.034 -2.055 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.205 1.721 -1.233 1.00 0.00 C ATOM 0 H LEU A 33 -0.338 2.124 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 33 2.119 1.441 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.461 2.750 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.791 1.563 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 33 0.231 -0.017 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.243 0.561 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.582 0.487 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.412 2.064 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.015 1.239 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.095 2.768 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.275 1.658 -1.433 1.00 0.00 H new ATOM 469 N GLN A 34 -0.037 -0.924 -5.499 1.00 0.00 N ATOM 470 CA GLN A 34 -0.216 -2.369 -5.588 1.00 0.00 C ATOM 471 C GLN A 34 0.894 -3.001 -6.422 1.00 0.00 C ATOM 472 O GLN A 34 1.248 -4.164 -6.225 1.00 0.00 O ATOM 473 CB GLN A 34 -1.580 -2.699 -6.197 1.00 0.00 C ATOM 474 CG GLN A 34 -2.749 -2.382 -5.281 1.00 0.00 C ATOM 475 CD GLN A 34 -3.309 -3.618 -4.602 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.511 -3.872 -4.645 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.434 -4.392 -3.970 1.00 0.00 N ATOM 0 H GLN A 34 -0.780 -0.379 -5.936 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.169 -2.780 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.697 -2.143 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.607 -3.758 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.428 -1.669 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.538 -1.900 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.445 -4.142 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.751 -5.237 -3.494 1.00 0.00 H new ATOM 486 N GLU A 35 1.439 -2.227 -7.355 1.00 0.00 N ATOM 487 CA GLU A 35 2.509 -2.709 -8.220 1.00 0.00 C ATOM 488 C GLU A 35 3.869 -2.583 -7.537 1.00 0.00 C ATOM 489 O GLU A 35 4.821 -3.267 -7.908 1.00 0.00 O ATOM 490 CB GLU A 35 2.514 -1.931 -9.538 1.00 0.00 C ATOM 491 CG GLU A 35 3.585 -2.395 -10.511 1.00 0.00 C ATOM 492 CD GLU A 35 3.044 -2.625 -11.909 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.312 -1.749 -12.414 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.353 -3.682 -12.498 1.00 0.00 O ATOM 0 H GLU A 35 1.157 -1.263 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 35 2.326 -3.764 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.537 -2.028 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.661 -0.872 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.381 -1.651 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.031 -3.319 -10.142 1.00 0.00 H new ATOM 501 N SER A 36 3.955 -1.703 -6.543 1.00 0.00 N ATOM 502 CA SER A 36 5.200 -1.489 -5.814 1.00 0.00 C ATOM 503 C SER A 36 5.480 -2.640 -4.852 1.00 0.00 C ATOM 504 O SER A 36 6.586 -3.182 -4.824 1.00 0.00 O ATOM 505 CB SER A 36 5.146 -0.165 -5.047 1.00 0.00 C ATOM 506 OG SER A 36 6.206 0.692 -5.432 1.00 0.00 O ATOM 0 H SER A 36 3.176 -1.127 -6.224 1.00 0.00 H new ATOM 0 HA SER A 36 6.011 -1.447 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.191 0.327 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.202 -0.359 -3.976 1.00 0.00 H new ATOM 0 HG SER A 36 6.664 1.026 -4.632 1.00 0.00 H new ATOM 512 N ILE A 37 4.477 -3.011 -4.064 1.00 0.00 N ATOM 513 CA ILE A 37 4.625 -4.100 -3.108 1.00 0.00 C ATOM 514 C ILE A 37 4.986 -5.398 -3.821 1.00 0.00 C ATOM 515 O ILE A 37 5.798 -6.183 -3.332 1.00 0.00 O ATOM 516 CB ILE A 37 3.336 -4.314 -2.290 1.00 0.00 C ATOM 517 CG1 ILE A 37 2.889 -2.999 -1.646 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.550 -5.386 -1.229 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.418 -2.702 -1.843 1.00 0.00 C ATOM 0 H ILE A 37 3.555 -2.574 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 37 5.429 -3.821 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 37 2.549 -4.652 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.105 -3.034 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.476 -2.181 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.630 -5.524 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.824 -6.325 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.349 -5.077 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.170 -1.756 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.200 -2.635 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.823 -3.501 -1.401 1.00 0.00 H new ATOM 531 N ALA A 38 4.381 -5.611 -4.983 1.00 0.00 N ATOM 532 CA ALA A 38 4.644 -6.808 -5.770 1.00 0.00 C ATOM 533 C ALA A 38 6.124 -6.915 -6.134 1.00 0.00 C ATOM 534 O ALA A 38 6.605 -7.989 -6.495 1.00 0.00 O ATOM 535 CB ALA A 38 3.788 -6.808 -7.027 1.00 0.00 C ATOM 0 H ALA A 38 3.706 -4.971 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 38 4.384 -7.676 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.993 -7.708 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.734 -6.788 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.022 -5.928 -7.627 1.00 0.00 H new ATOM 541 N ARG A 39 6.843 -5.797 -6.037 1.00 0.00 N ATOM 542 CA ARG A 39 8.267 -5.774 -6.358 1.00 0.00 C ATOM 543 C ARG A 39 9.107 -6.050 -5.117 1.00 0.00 C ATOM 544 O ARG A 39 10.123 -6.743 -5.183 1.00 0.00 O ATOM 545 CB ARG A 39 8.663 -4.423 -6.963 1.00 0.00 C ATOM 546 CG ARG A 39 7.535 -3.724 -7.705 1.00 0.00 C ATOM 547 CD ARG A 39 8.033 -2.508 -8.471 1.00 0.00 C ATOM 548 NE ARG A 39 7.749 -2.608 -9.901 1.00 0.00 N ATOM 549 CZ ARG A 39 8.586 -3.136 -10.792 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.759 -3.625 -10.409 1.00 0.00 N ATOM 551 NH2 ARG A 39 8.245 -3.179 -12.074 1.00 0.00 N ATOM 0 H ARG A 39 6.463 -4.899 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 39 8.457 -6.558 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.020 -3.770 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.497 -4.574 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.067 -4.423 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.768 -3.417 -6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.564 -1.610 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.107 -2.400 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 39 6.855 -2.251 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.026 -3.598 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.394 -4.027 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.344 -2.808 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.884 -3.583 -12.759 1.00 0.00 H new ATOM 565 N GLU A 40 8.680 -5.497 -3.986 1.00 0.00 N ATOM 566 CA GLU A 40 9.393 -5.676 -2.728 1.00 0.00 C ATOM 567 C GLU A 40 9.113 -7.048 -2.122 1.00 0.00 C ATOM 568 O GLU A 40 9.923 -7.577 -1.361 1.00 0.00 O ATOM 569 CB GLU A 40 9.005 -4.574 -1.740 1.00 0.00 C ATOM 570 CG GLU A 40 10.133 -3.599 -1.440 1.00 0.00 C ATOM 571 CD GLU A 40 10.808 -3.080 -2.695 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.133 -2.999 -3.743 1.00 0.00 O ATOM 573 OE2 GLU A 40 12.011 -2.753 -2.631 1.00 0.00 O ATOM 0 H GLU A 40 7.842 -4.920 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 40 10.461 -5.611 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.155 -4.021 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.676 -5.033 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.738 -2.758 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.875 -4.091 -0.810 1.00 0.00 H new ATOM 580 N PHE A 41 7.961 -7.619 -2.458 1.00 0.00 N ATOM 581 CA PHE A 41 7.580 -8.927 -1.939 1.00 0.00 C ATOM 582 C PHE A 41 7.289 -9.904 -3.074 1.00 0.00 C ATOM 583 O PHE A 41 7.471 -9.579 -4.247 1.00 0.00 O ATOM 584 CB PHE A 41 6.358 -8.796 -1.028 1.00 0.00 C ATOM 585 CG PHE A 41 6.550 -7.801 0.081 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.432 -6.442 -0.160 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.851 -8.225 1.365 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.611 -5.526 0.858 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.030 -7.313 2.388 1.00 0.00 C ATOM 590 CZ PHE A 41 6.910 -5.963 2.134 1.00 0.00 C ATOM 0 H PHE A 41 7.277 -7.197 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 41 8.416 -9.320 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.496 -8.501 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.128 -9.770 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.197 -6.095 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.947 -9.281 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.517 -4.469 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.263 -7.657 3.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.050 -5.248 2.932 1.00 0.00 H new ATOM 600 N ASN A 42 6.843 -11.103 -2.716 1.00 0.00 N ATOM 601 CA ASN A 42 6.536 -12.130 -3.706 1.00 0.00 C ATOM 602 C ASN A 42 5.030 -12.341 -3.837 1.00 0.00 C ATOM 603 O ASN A 42 4.559 -13.476 -3.919 1.00 0.00 O ATOM 604 CB ASN A 42 7.217 -13.447 -3.328 1.00 0.00 C ATOM 605 CG ASN A 42 8.725 -13.314 -3.243 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.336 -13.670 -2.235 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.335 -12.798 -4.305 1.00 0.00 N ATOM 0 H ASN A 42 6.686 -11.388 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 42 6.916 -11.791 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.831 -13.790 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.963 -14.209 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.349 -12.684 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.790 -12.516 -5.120 1.00 0.00 H new ATOM 614 N ILE A 43 4.279 -11.245 -3.864 1.00 0.00 N ATOM 615 CA ILE A 43 2.831 -11.319 -3.996 1.00 0.00 C ATOM 616 C ILE A 43 2.336 -10.393 -5.103 1.00 0.00 C ATOM 617 O ILE A 43 2.766 -9.243 -5.204 1.00 0.00 O ATOM 618 CB ILE A 43 2.120 -10.954 -2.678 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.707 -11.760 -1.520 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.623 -11.201 -2.797 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.663 -10.968 -0.660 1.00 0.00 C ATOM 0 H ILE A 43 4.650 -10.297 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 43 2.590 -12.351 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 43 2.278 -9.894 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.893 -12.132 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.226 -12.631 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.135 -10.939 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.216 -10.588 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.444 -12.254 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.041 -11.602 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.496 -10.618 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.142 -10.112 -0.231 1.00 0.00 H new ATOM 633 N PRO A 44 1.424 -10.887 -5.956 1.00 0.00 N ATOM 634 CA PRO A 44 0.871 -10.104 -7.066 1.00 0.00 C ATOM 635 C PRO A 44 -0.066 -8.997 -6.589 1.00 0.00 C ATOM 636 O PRO A 44 -0.432 -8.943 -5.415 1.00 0.00 O ATOM 637 CB PRO A 44 0.102 -11.144 -7.883 1.00 0.00 C ATOM 638 CG PRO A 44 -0.260 -12.205 -6.901 1.00 0.00 C ATOM 639 CD PRO A 44 0.864 -12.248 -5.904 1.00 0.00 C ATOM 0 HA PRO A 44 1.649 -9.590 -7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.786 -10.709 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.714 -11.545 -8.691 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.207 -11.977 -6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.380 -13.169 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.505 -12.496 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.608 -12.998 -6.171 1.00 0.00 H new ATOM 647 N PRO A 45 -0.466 -8.093 -7.500 1.00 0.00 N ATOM 648 CA PRO A 45 -1.362 -6.978 -7.169 1.00 0.00 C ATOM 649 C PRO A 45 -2.777 -7.437 -6.828 1.00 0.00 C ATOM 650 O PRO A 45 -3.538 -6.703 -6.197 1.00 0.00 O ATOM 651 CB PRO A 45 -1.367 -6.134 -8.445 1.00 0.00 C ATOM 652 CG PRO A 45 -1.017 -7.087 -9.534 1.00 0.00 C ATOM 653 CD PRO A 45 -0.074 -8.084 -8.921 1.00 0.00 C ATOM 0 HA PRO A 45 -1.023 -6.440 -6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.343 -5.680 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.644 -5.321 -8.384 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.908 -7.580 -9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.548 -6.569 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.181 -9.070 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.966 -7.785 -9.049 1.00 0.00 H new ATOM 661 N TYR A 46 -3.131 -8.647 -7.251 1.00 0.00 N ATOM 662 CA TYR A 46 -4.463 -9.183 -6.984 1.00 0.00 C ATOM 663 C TYR A 46 -4.477 -10.057 -5.728 1.00 0.00 C ATOM 664 O TYR A 46 -5.472 -10.721 -5.438 1.00 0.00 O ATOM 665 CB TYR A 46 -4.970 -9.983 -8.188 1.00 0.00 C ATOM 666 CG TYR A 46 -4.212 -11.267 -8.437 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.020 -11.266 -9.151 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.691 -12.481 -7.961 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.326 -12.439 -9.383 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.002 -13.658 -8.187 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.821 -13.631 -8.899 1.00 0.00 C ATOM 672 OH TYR A 46 -2.134 -14.800 -9.127 1.00 0.00 O ATOM 0 H TYR A 46 -2.519 -9.272 -7.777 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.129 -8.337 -6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.023 -10.219 -8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.908 -9.358 -9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.629 -10.334 -9.531 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.617 -12.506 -7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.401 -12.422 -9.940 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.386 -14.593 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.617 -15.548 -8.719 1.00 0.00 H new ATOM 682 N LEU A 47 -3.374 -10.050 -4.982 1.00 0.00 N ATOM 683 CA LEU A 47 -3.275 -10.839 -3.757 1.00 0.00 C ATOM 684 C LEU A 47 -2.629 -10.038 -2.628 1.00 0.00 C ATOM 685 O LEU A 47 -2.337 -10.581 -1.563 1.00 0.00 O ATOM 686 CB LEU A 47 -2.465 -12.112 -4.008 1.00 0.00 C ATOM 687 CG LEU A 47 -3.102 -13.108 -4.977 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.145 -14.254 -5.267 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.412 -13.635 -4.414 1.00 0.00 C ATOM 0 H LEU A 47 -2.539 -9.508 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.288 -11.105 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.485 -11.830 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.300 -12.613 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.314 -12.592 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.614 -14.954 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.231 -13.861 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.903 -14.770 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.852 -14.343 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.225 -14.136 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.101 -12.805 -4.257 1.00 0.00 H new ATOM 701 N GLN A 48 -2.405 -8.746 -2.860 1.00 0.00 N ATOM 702 CA GLN A 48 -1.791 -7.892 -1.852 1.00 0.00 C ATOM 703 C GLN A 48 -2.800 -6.907 -1.276 1.00 0.00 C ATOM 704 O GLN A 48 -3.249 -5.988 -1.963 1.00 0.00 O ATOM 705 CB GLN A 48 -0.606 -7.132 -2.449 1.00 0.00 C ATOM 706 CG GLN A 48 0.601 -8.011 -2.728 1.00 0.00 C ATOM 707 CD GLN A 48 1.717 -7.267 -3.435 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.876 -7.330 -3.025 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.374 -6.560 -4.506 1.00 0.00 N ATOM 0 H GLN A 48 -2.639 -8.272 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.436 -8.532 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.921 -6.656 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.314 -6.335 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.977 -8.413 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.293 -8.861 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.401 -6.536 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.084 -6.041 -5.024 1.00 0.00 H new ATOM 718 N CYS A 49 -3.142 -7.096 -0.008 1.00 0.00 N ATOM 719 CA CYS A 49 -4.085 -6.216 0.669 1.00 0.00 C ATOM 720 C CYS A 49 -3.338 -5.302 1.633 1.00 0.00 C ATOM 721 O CYS A 49 -2.899 -5.735 2.698 1.00 0.00 O ATOM 722 CB CYS A 49 -5.140 -7.038 1.414 1.00 0.00 C ATOM 723 SG CYS A 49 -6.248 -6.061 2.460 1.00 0.00 S ATOM 0 H CYS A 49 -2.780 -7.852 0.573 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.594 -5.602 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.737 -7.586 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.635 -7.779 2.034 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.102 -6.849 3.043 1.00 0.00 H new ATOM 729 N ILE A 50 -3.182 -4.041 1.239 1.00 0.00 N ATOM 730 CA ILE A 50 -2.471 -3.061 2.053 1.00 0.00 C ATOM 731 C ILE A 50 -3.354 -2.495 3.161 1.00 0.00 C ATOM 732 O ILE A 50 -4.574 -2.412 3.019 1.00 0.00 O ATOM 733 CB ILE A 50 -1.946 -1.893 1.195 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.211 -2.419 -0.041 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.032 -1.000 2.019 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.522 -1.645 -1.304 1.00 0.00 C ATOM 0 H ILE A 50 -3.540 -3.673 0.358 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.631 -3.590 2.503 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.798 -1.302 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.137 -2.383 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.474 -3.466 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.669 -0.180 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.585 -0.597 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.185 -1.582 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.967 -2.073 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.591 -1.702 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.233 -0.602 -1.172 1.00 0.00 H new ATOM 748 N ARG A 51 -2.719 -2.100 4.260 1.00 0.00 N ATOM 749 CA ARG A 51 -3.427 -1.529 5.400 1.00 0.00 C ATOM 750 C ARG A 51 -2.591 -0.432 6.053 1.00 0.00 C ATOM 751 O ARG A 51 -1.361 -0.500 6.061 1.00 0.00 O ATOM 752 CB ARG A 51 -3.753 -2.616 6.423 1.00 0.00 C ATOM 753 CG ARG A 51 -4.480 -3.811 5.829 1.00 0.00 C ATOM 754 CD ARG A 51 -5.538 -4.348 6.777 1.00 0.00 C ATOM 755 NE ARG A 51 -5.568 -5.808 6.796 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.701 -6.558 7.473 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.737 -5.989 8.186 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.798 -7.881 7.438 1.00 0.00 N ATOM 0 H ARG A 51 -1.709 -2.166 4.385 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.359 -1.092 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.827 -2.958 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.365 -2.186 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.947 -3.523 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.762 -4.598 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.345 -3.977 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.516 -3.969 6.480 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.295 -6.281 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.658 -4.973 8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.075 -6.568 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.537 -8.324 6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.133 -8.455 7.957 1.00 0.00 H new ATOM 772 N TYR A 52 -3.261 0.580 6.593 1.00 0.00 N ATOM 773 CA TYR A 52 -2.570 1.690 7.241 1.00 0.00 C ATOM 774 C TYR A 52 -3.458 2.365 8.282 1.00 0.00 C ATOM 775 O TYR A 52 -4.670 2.149 8.316 1.00 0.00 O ATOM 776 CB TYR A 52 -2.126 2.718 6.199 1.00 0.00 C ATOM 777 CG TYR A 52 -3.275 3.384 5.477 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.149 2.644 4.691 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.485 4.753 5.581 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.201 3.249 4.030 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.534 5.366 4.922 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.388 4.610 4.148 1.00 0.00 C ATOM 783 OH TYR A 52 -6.434 5.215 3.491 1.00 0.00 O ATOM 0 H TYR A 52 -4.278 0.655 6.595 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.694 1.285 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.524 3.483 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.484 2.227 5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.004 1.578 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.818 5.348 6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.873 2.659 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.684 6.432 5.013 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.426 6.177 3.679 1.00 0.00 H new ATOM 793 N GLY A 53 -2.843 3.190 9.123 1.00 0.00 N ATOM 794 CA GLY A 53 -3.584 3.897 10.152 1.00 0.00 C ATOM 795 C GLY A 53 -4.148 2.971 11.213 1.00 0.00 C ATOM 796 O GLY A 53 -4.179 1.754 11.034 1.00 0.00 O ATOM 0 H GLY A 53 -1.841 3.382 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.930 4.629 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.400 4.451 9.689 1.00 0.00 H new ATOM 800 N PHE A 54 -4.597 3.554 12.319 1.00 0.00 N ATOM 801 CA PHE A 54 -5.168 2.785 13.418 1.00 0.00 C ATOM 802 C PHE A 54 -6.599 3.244 13.709 1.00 0.00 C ATOM 803 O PHE A 54 -6.824 4.413 14.021 1.00 0.00 O ATOM 804 CB PHE A 54 -4.305 2.937 14.673 1.00 0.00 C ATOM 805 CG PHE A 54 -3.474 1.723 14.979 1.00 0.00 C ATOM 806 CD1 PHE A 54 -4.076 0.497 15.210 1.00 0.00 C ATOM 807 CD2 PHE A 54 -2.092 1.810 15.036 1.00 0.00 C ATOM 808 CE1 PHE A 54 -3.314 -0.622 15.492 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.326 0.695 15.316 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.937 -0.522 15.545 1.00 0.00 C ATOM 0 H PHE A 54 -4.576 4.561 12.478 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.191 1.735 13.128 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.646 3.797 14.550 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.951 3.150 15.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.152 0.414 15.169 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.609 2.760 14.860 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.795 -1.573 15.671 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.250 0.775 15.356 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.339 -1.394 15.765 1.00 0.00 H new ATOM 820 N PRO A 55 -7.596 2.338 13.609 1.00 0.00 N ATOM 821 CA PRO A 55 -7.390 0.929 13.240 1.00 0.00 C ATOM 822 C PRO A 55 -6.878 0.769 11.809 1.00 0.00 C ATOM 823 O PRO A 55 -7.004 1.678 10.989 1.00 0.00 O ATOM 824 CB PRO A 55 -8.784 0.303 13.378 1.00 0.00 C ATOM 825 CG PRO A 55 -9.578 1.277 14.180 1.00 0.00 C ATOM 826 CD PRO A 55 -9.014 2.629 13.857 1.00 0.00 C ATOM 0 HA PRO A 55 -6.635 0.458 13.870 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.238 0.136 12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.732 -0.666 13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.636 1.224 13.924 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.497 1.064 15.246 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.495 3.070 12.984 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.145 3.330 14.682 1.00 0.00 H new ATOM 834 N PRO A 56 -6.290 -0.398 11.495 1.00 0.00 N ATOM 835 CA PRO A 56 -5.755 -0.680 10.160 1.00 0.00 C ATOM 836 C PRO A 56 -6.853 -0.834 9.118 1.00 0.00 C ATOM 837 O PRO A 56 -7.739 -1.678 9.249 1.00 0.00 O ATOM 838 CB PRO A 56 -5.004 -1.999 10.345 1.00 0.00 C ATOM 839 CG PRO A 56 -5.663 -2.650 11.510 1.00 0.00 C ATOM 840 CD PRO A 56 -6.100 -1.532 12.416 1.00 0.00 C ATOM 0 HA PRO A 56 -5.128 0.133 9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.072 -2.622 9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.944 -1.828 10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.515 -3.250 11.191 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.975 -3.322 12.023 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.021 -1.779 12.943 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.348 -1.312 13.174 1.00 0.00 H new ATOM 848 N LYS A 57 -6.784 -0.011 8.079 1.00 0.00 N ATOM 849 CA LYS A 57 -7.769 -0.050 7.005 1.00 0.00 C ATOM 850 C LYS A 57 -7.347 -1.035 5.922 1.00 0.00 C ATOM 851 O LYS A 57 -6.266 -1.620 5.989 1.00 0.00 O ATOM 852 CB LYS A 57 -7.949 1.344 6.399 1.00 0.00 C ATOM 853 CG LYS A 57 -8.154 2.439 7.434 1.00 0.00 C ATOM 854 CD LYS A 57 -7.468 3.731 7.022 1.00 0.00 C ATOM 855 CE LYS A 57 -8.396 4.626 6.214 1.00 0.00 C ATOM 856 NZ LYS A 57 -8.695 5.901 6.924 1.00 0.00 N ATOM 0 H LYS A 57 -6.055 0.692 7.957 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.719 -0.381 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.073 1.585 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.805 1.329 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.221 2.619 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.763 2.109 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.131 4.264 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.580 3.500 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.939 4.846 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.327 4.096 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.330 6.483 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.154 5.692 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.810 6.419 7.094 1.00 0.00 H new ATOM 870 N GLU A 58 -8.205 -1.217 4.926 1.00 0.00 N ATOM 871 CA GLU A 58 -7.921 -2.133 3.828 1.00 0.00 C ATOM 872 C GLU A 58 -7.454 -1.380 2.581 1.00 0.00 C ATOM 873 O GLU A 58 -7.066 -1.995 1.588 1.00 0.00 O ATOM 874 CB GLU A 58 -9.164 -2.963 3.500 1.00 0.00 C ATOM 875 CG GLU A 58 -8.944 -3.976 2.388 1.00 0.00 C ATOM 876 CD GLU A 58 -9.362 -5.380 2.784 1.00 0.00 C ATOM 877 OE1 GLU A 58 -9.288 -5.703 3.987 1.00 0.00 O ATOM 878 OE2 GLU A 58 -9.764 -6.153 1.890 1.00 0.00 O ATOM 0 H GLU A 58 -9.105 -0.742 4.856 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.116 -2.796 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.488 -3.488 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.974 -2.292 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.506 -3.669 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.890 -3.980 2.109 1.00 0.00 H new ATOM 885 N LEU A 59 -7.494 -0.049 2.636 1.00 0.00 N ATOM 886 CA LEU A 59 -7.076 0.778 1.510 1.00 0.00 C ATOM 887 C LEU A 59 -7.726 0.301 0.214 1.00 0.00 C ATOM 888 O LEU A 59 -7.183 -0.554 -0.488 1.00 0.00 O ATOM 889 CB LEU A 59 -5.552 0.760 1.375 1.00 0.00 C ATOM 890 CG LEU A 59 -4.965 1.777 0.390 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.670 3.120 0.514 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.472 1.935 0.623 1.00 0.00 C ATOM 0 H LEU A 59 -7.812 0.478 3.450 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.401 1.801 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.115 0.938 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.244 -0.239 1.066 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.122 1.405 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.236 3.825 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.731 2.995 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.548 3.503 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.068 2.660 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.298 2.284 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.978 0.974 0.479 1.00 0.00 H new ATOM 904 N MET A 60 -8.895 0.853 -0.089 1.00 0.00 N ATOM 905 CA MET A 60 -9.629 0.482 -1.289 1.00 0.00 C ATOM 906 C MET A 60 -9.232 1.354 -2.474 1.00 0.00 C ATOM 907 O MET A 60 -8.772 2.483 -2.304 1.00 0.00 O ATOM 908 CB MET A 60 -11.132 0.597 -1.037 1.00 0.00 C ATOM 909 CG MET A 60 -11.581 -0.109 0.228 1.00 0.00 C ATOM 910 SD MET A 60 -13.367 -0.038 0.471 1.00 0.00 S ATOM 911 CE MET A 60 -13.680 -1.664 1.155 1.00 0.00 C ATOM 0 H MET A 60 -9.355 1.561 0.483 1.00 0.00 H new ATOM 0 HA MET A 60 -9.379 -0.551 -1.532 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.404 1.651 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.670 0.180 -1.889 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.265 -1.152 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.084 0.342 1.087 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.745 -1.774 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.367 -2.426 0.441 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.118 -1.783 2.082 1.00 0.00 H new ATOM 921 N PRO A 61 -9.407 0.831 -3.698 1.00 0.00 N ATOM 922 CA PRO A 61 -9.067 1.556 -4.926 1.00 0.00 C ATOM 923 C PRO A 61 -9.885 2.835 -5.085 1.00 0.00 C ATOM 924 O PRO A 61 -11.073 2.866 -4.765 1.00 0.00 O ATOM 925 CB PRO A 61 -9.402 0.561 -6.044 1.00 0.00 C ATOM 926 CG PRO A 61 -10.336 -0.422 -5.424 1.00 0.00 C ATOM 927 CD PRO A 61 -9.948 -0.507 -3.978 1.00 0.00 C ATOM 0 HA PRO A 61 -8.026 1.878 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.866 1.064 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.503 0.070 -6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.371 -0.098 -5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.255 -1.396 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.804 -0.736 -3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.206 -1.286 -3.805 1.00 0.00 H new ATOM 935 N PRO A 62 -9.255 3.912 -5.583 1.00 0.00 N ATOM 936 CA PRO A 62 -9.929 5.199 -5.783 1.00 0.00 C ATOM 937 C PRO A 62 -11.052 5.113 -6.810 1.00 0.00 C ATOM 938 O PRO A 62 -11.407 4.028 -7.269 1.00 0.00 O ATOM 939 CB PRO A 62 -8.813 6.117 -6.293 1.00 0.00 C ATOM 940 CG PRO A 62 -7.776 5.199 -6.838 1.00 0.00 C ATOM 941 CD PRO A 62 -7.840 3.962 -5.991 1.00 0.00 C ATOM 0 HA PRO A 62 -10.404 5.551 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.182 6.796 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.411 6.733 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.971 4.967 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.787 5.654 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.550 3.073 -6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.174 4.027 -5.131 1.00 0.00 H new ATOM 949 N GLN A 63 -11.605 6.269 -7.166 1.00 0.00 N ATOM 950 CA GLN A 63 -12.688 6.329 -8.140 1.00 0.00 C ATOM 951 C GLN A 63 -12.416 7.409 -9.184 1.00 0.00 C ATOM 952 O GLN A 63 -11.296 7.909 -9.295 1.00 0.00 O ATOM 953 CB GLN A 63 -14.019 6.601 -7.436 1.00 0.00 C ATOM 954 CG GLN A 63 -15.167 5.750 -7.955 1.00 0.00 C ATOM 955 CD GLN A 63 -16.526 6.335 -7.622 1.00 0.00 C ATOM 956 OE1 GLN A 63 -17.375 5.667 -7.034 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.737 7.591 -7.998 1.00 0.00 N ATOM 0 H GLN A 63 -11.321 7.175 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.746 5.366 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.899 6.421 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.275 7.654 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.076 5.645 -9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.093 4.749 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.004 8.108 -8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.632 8.039 -7.801 1.00 0.00 H new ATOM 966 N ALA A 64 -13.445 7.762 -9.948 1.00 0.00 N ATOM 967 CA ALA A 64 -13.313 8.781 -10.983 1.00 0.00 C ATOM 968 C ALA A 64 -12.860 10.112 -10.390 1.00 0.00 C ATOM 969 O ALA A 64 -13.678 10.903 -9.921 1.00 0.00 O ATOM 970 CB ALA A 64 -14.631 8.953 -11.724 1.00 0.00 C ATOM 0 H ALA A 64 -14.378 7.358 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.551 8.450 -11.689 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.519 9.716 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.913 8.008 -12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.406 9.258 -11.021 1.00 0.00 H new ATOM 976 N GLY A 65 -11.554 10.352 -10.417 1.00 0.00 N ATOM 977 CA GLY A 65 -11.016 11.589 -9.880 1.00 0.00 C ATOM 978 C GLY A 65 -9.856 11.356 -8.932 1.00 0.00 C ATOM 979 O GLY A 65 -8.991 12.219 -8.776 1.00 0.00 O ATOM 0 H GLY A 65 -10.858 9.713 -10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.687 12.225 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.806 12.128 -9.357 1.00 0.00 H new ATOM 983 N MET A 66 -9.837 10.189 -8.295 1.00 0.00 N ATOM 984 CA MET A 66 -8.774 9.848 -7.355 1.00 0.00 C ATOM 985 C MET A 66 -7.809 8.827 -7.955 1.00 0.00 C ATOM 986 O MET A 66 -6.701 8.641 -7.453 1.00 0.00 O ATOM 987 CB MET A 66 -9.370 9.303 -6.056 1.00 0.00 C ATOM 988 CG MET A 66 -9.783 10.386 -5.074 1.00 0.00 C ATOM 989 SD MET A 66 -8.448 10.859 -3.958 1.00 0.00 S ATOM 990 CE MET A 66 -8.991 12.490 -3.453 1.00 0.00 C ATOM 0 H MET A 66 -10.545 9.464 -8.412 1.00 0.00 H new ATOM 0 HA MET A 66 -8.214 10.758 -7.139 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.239 8.690 -6.294 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.640 8.650 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.117 11.264 -5.627 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.633 10.035 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.304 12.887 -2.705 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.007 13.152 -4.319 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.993 12.425 -3.028 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.232 8.167 -9.031 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.398 7.167 -9.691 1.00 0.00 C ATOM 1002 C GLU A 67 -6.046 7.755 -10.085 1.00 0.00 C ATOM 1003 O GLU A 67 -5.037 7.050 -10.120 1.00 0.00 O ATOM 1004 CB GLU A 67 -8.108 6.615 -10.930 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.528 7.691 -11.919 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.541 7.191 -12.929 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -10.743 7.139 -12.591 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.133 6.850 -14.060 1.00 0.00 O ATOM 0 H GLU A 67 -9.145 8.307 -9.463 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.227 6.354 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.447 5.909 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.990 6.058 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.950 8.535 -11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.647 8.059 -12.445 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.034 9.051 -10.377 1.00 0.00 N ATOM 1016 CA LYS A 68 -4.806 9.738 -10.764 1.00 0.00 C ATOM 1017 C LYS A 68 -4.073 10.287 -9.542 1.00 0.00 C ATOM 1018 O LYS A 68 -2.903 10.663 -9.627 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.120 10.875 -11.737 1.00 0.00 C ATOM 1020 CG LYS A 68 -5.867 10.423 -12.982 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.000 11.376 -13.332 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.235 11.111 -12.485 1.00 0.00 C ATOM 1023 NZ LYS A 68 -9.456 10.949 -13.322 1.00 0.00 N ATOM 0 H LYS A 68 -6.861 9.648 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.157 9.014 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.714 11.630 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.188 11.353 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.173 10.358 -13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.269 9.422 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.670 12.404 -13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.252 11.271 -14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.081 10.211 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.380 11.935 -11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.276 10.770 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.618 11.817 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.328 10.147 -13.971 1.00 0.00 H new ATOM 1037 N GLU A 69 -4.764 10.334 -8.406 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.175 10.839 -7.172 1.00 0.00 C ATOM 1039 C GLU A 69 -3.348 9.758 -6.482 1.00 0.00 C ATOM 1040 O GLU A 69 -3.625 8.567 -6.626 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.269 11.341 -6.228 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.901 12.650 -6.672 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.088 13.625 -5.526 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.420 13.174 -4.410 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.905 14.841 -5.746 1.00 0.00 O ATOM 0 H GLU A 69 -5.733 10.028 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.516 11.669 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.046 10.581 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.846 11.471 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.276 13.110 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.868 12.445 -7.131 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.315 10.162 -5.724 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.445 9.222 -5.015 1.00 0.00 C ATOM 1054 C PRO A 70 -2.093 8.649 -3.761 1.00 0.00 C ATOM 1055 O PRO A 70 -3.128 9.133 -3.302 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.238 10.082 -4.643 1.00 0.00 C ATOM 1057 CG PRO A 70 -0.790 11.460 -4.506 1.00 0.00 C ATOM 1058 CD PRO A 70 -1.913 11.564 -5.503 1.00 0.00 C ATOM 0 HA PRO A 70 -1.204 8.352 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.219 9.743 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.533 10.038 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.152 11.635 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.023 12.208 -4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.739 12.161 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.584 12.037 -6.428 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.471 7.611 -3.213 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.972 6.957 -2.010 1.00 0.00 C ATOM 1068 C VAL A 71 -2.022 7.926 -0.830 1.00 0.00 C ATOM 1069 O VAL A 71 -1.405 8.992 -0.866 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.096 5.744 -1.636 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.388 4.570 -2.561 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.378 6.114 -1.682 1.00 0.00 C ATOM 0 H VAL A 71 -0.614 7.203 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.984 6.616 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.339 5.444 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.761 3.723 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.438 4.289 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.175 4.856 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.980 5.245 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.640 6.441 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.573 6.921 -0.976 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.763 7.570 0.237 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.897 8.413 1.436 1.00 0.00 C ATOM 1084 C PRO A 72 -1.645 8.414 2.311 1.00 0.00 C ATOM 1085 O PRO A 72 -1.624 9.030 3.377 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.051 7.751 2.188 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.960 6.318 1.803 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.537 6.317 0.362 1.00 0.00 C ATOM 0 HA PRO A 72 -3.059 9.459 1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.951 7.881 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.011 8.180 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.237 5.790 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.919 5.815 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.931 5.444 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.395 6.305 -0.310 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.612 7.707 1.868 1.00 0.00 N ATOM 1097 CA LEU A 73 0.632 7.612 2.622 1.00 0.00 C ATOM 1098 C LEU A 73 1.696 8.541 2.048 1.00 0.00 C ATOM 1099 O LEU A 73 1.615 8.954 0.890 1.00 0.00 O ATOM 1100 CB LEU A 73 1.122 6.164 2.616 1.00 0.00 C ATOM 1101 CG LEU A 73 0.009 5.117 2.520 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.576 3.759 2.151 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.764 5.041 3.827 1.00 0.00 C ATOM 0 H LEU A 73 -0.612 7.190 0.989 1.00 0.00 H new ATOM 0 HA LEU A 73 0.443 7.924 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.804 6.028 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.695 5.984 3.525 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.679 5.421 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.233 3.032 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.080 3.825 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.290 3.444 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.551 4.292 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.087 4.764 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.209 6.012 4.043 1.00 0.00 H new ATOM 1115 N GLN A 74 2.688 8.876 2.868 1.00 0.00 N ATOM 1116 CA GLN A 74 3.763 9.767 2.444 1.00 0.00 C ATOM 1117 C GLN A 74 5.113 9.301 2.976 1.00 0.00 C ATOM 1118 O GLN A 74 5.209 8.286 3.665 1.00 0.00 O ATOM 1119 CB GLN A 74 3.485 11.193 2.918 1.00 0.00 C ATOM 1120 CG GLN A 74 2.342 11.870 2.180 1.00 0.00 C ATOM 1121 CD GLN A 74 2.714 12.257 0.761 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.869 12.566 0.472 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.732 12.243 -0.133 1.00 0.00 N ATOM 0 H GLN A 74 2.770 8.544 3.829 1.00 0.00 H new ATOM 0 HA GLN A 74 3.801 9.748 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.257 11.174 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.389 11.790 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.482 11.201 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.037 12.762 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.788 11.980 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.922 12.495 -1.103 1.00 0.00 H new ATOM 1132 N HIS A 75 6.157 10.055 2.645 1.00 0.00 N ATOM 1133 CA HIS A 75 7.512 9.733 3.081 1.00 0.00 C ATOM 1134 C HIS A 75 7.580 9.563 4.594 1.00 0.00 C ATOM 1135 O HIS A 75 7.461 10.531 5.345 1.00 0.00 O ATOM 1136 CB HIS A 75 8.482 10.828 2.637 1.00 0.00 C ATOM 1137 CG HIS A 75 9.907 10.374 2.571 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.416 9.372 3.371 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.935 10.790 1.793 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.694 9.193 3.089 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.033 10.039 2.136 1.00 0.00 N ATOM 0 H HIS A 75 6.090 10.897 2.074 1.00 0.00 H new ATOM 0 HA HIS A 75 7.797 8.788 2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.180 11.194 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.409 11.669 3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.898 11.567 1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.350 8.475 3.559 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.961 10.122 1.721 1.00 0.00 H new ATOM 1150 N GLY A 76 7.777 8.326 5.032 1.00 0.00 N ATOM 1151 CA GLY A 76 7.864 8.049 6.453 1.00 0.00 C ATOM 1152 C GLY A 76 6.640 7.334 6.990 1.00 0.00 C ATOM 1153 O GLY A 76 6.494 7.173 8.202 1.00 0.00 O ATOM 0 H GLY A 76 7.878 7.510 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.748 7.441 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.998 8.986 6.993 1.00 0.00 H new ATOM 1157 N ASP A 77 5.756 6.898 6.096 1.00 0.00 N ATOM 1158 CA ASP A 77 4.547 6.197 6.507 1.00 0.00 C ATOM 1159 C ASP A 77 4.821 4.707 6.680 1.00 0.00 C ATOM 1160 O ASP A 77 5.956 4.253 6.537 1.00 0.00 O ATOM 1161 CB ASP A 77 3.428 6.410 5.485 1.00 0.00 C ATOM 1162 CG ASP A 77 2.340 7.330 6.004 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.883 7.123 7.148 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.944 8.257 5.267 1.00 0.00 O ATOM 0 H ASP A 77 5.855 7.018 5.088 1.00 0.00 H new ATOM 0 HA ASP A 77 4.228 6.606 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.849 6.829 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.991 5.447 5.222 1.00 0.00 H new ATOM 1169 N ARG A 78 3.773 3.953 6.985 1.00 0.00 N ATOM 1170 CA ARG A 78 3.897 2.513 7.175 1.00 0.00 C ATOM 1171 C ARG A 78 2.631 1.804 6.722 1.00 0.00 C ATOM 1172 O ARG A 78 1.529 2.338 6.849 1.00 0.00 O ATOM 1173 CB ARG A 78 4.187 2.187 8.641 1.00 0.00 C ATOM 1174 CG ARG A 78 3.193 2.806 9.610 1.00 0.00 C ATOM 1175 CD ARG A 78 3.464 4.288 9.820 1.00 0.00 C ATOM 1176 NE ARG A 78 3.682 4.611 11.228 1.00 0.00 N ATOM 1177 CZ ARG A 78 3.581 5.840 11.732 1.00 0.00 C ATOM 1178 NH1 ARG A 78 3.267 6.863 10.946 1.00 0.00 N ATOM 1179 NH2 ARG A 78 3.795 6.045 13.024 1.00 0.00 N ATOM 0 H ARG A 78 2.827 4.314 7.106 1.00 0.00 H new ATOM 0 HA ARG A 78 4.731 2.160 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.183 1.105 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.190 2.535 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.181 2.671 9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.245 2.287 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.339 4.582 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.622 4.868 9.441 1.00 0.00 H new ATOM 0 HE ARG A 78 3.926 3.851 11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.102 6.710 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.191 7.802 11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.037 5.262 13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.718 6.986 13.411 1.00 0.00 H new ATOM 1193 N ILE A 79 2.796 0.605 6.181 1.00 0.00 N ATOM 1194 CA ILE A 79 1.661 -0.163 5.697 1.00 0.00 C ATOM 1195 C ILE A 79 1.838 -1.651 5.952 1.00 0.00 C ATOM 1196 O ILE A 79 2.948 -2.129 6.186 1.00 0.00 O ATOM 1197 CB ILE A 79 1.438 0.056 4.190 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.771 0.231 3.460 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.543 1.259 3.965 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.621 0.409 1.964 1.00 0.00 C ATOM 0 H ILE A 79 3.700 0.146 6.067 1.00 0.00 H new ATOM 0 HA ILE A 79 0.792 0.193 6.250 1.00 0.00 H new ATOM 0 HB ILE A 79 0.947 -0.827 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.290 1.097 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.399 -0.639 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.392 1.405 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.420 1.092 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.013 2.146 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.605 0.527 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.130 -0.467 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.020 1.295 1.762 1.00 0.00 H new ATOM 1212 N THR A 80 0.729 -2.380 5.889 1.00 0.00 N ATOM 1213 CA THR A 80 0.746 -3.818 6.096 1.00 0.00 C ATOM 1214 C THR A 80 0.003 -4.524 4.971 1.00 0.00 C ATOM 1215 O THR A 80 -1.127 -4.166 4.637 1.00 0.00 O ATOM 1216 CB THR A 80 0.115 -4.175 7.440 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.810 -3.549 8.504 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.098 -5.665 7.714 1.00 0.00 C ATOM 0 H THR A 80 -0.195 -1.994 5.695 1.00 0.00 H new ATOM 0 HA THR A 80 1.784 -4.150 6.098 1.00 0.00 H new ATOM 0 HB THR A 80 -0.914 -3.820 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.389 -3.789 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.363 -5.851 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.475 -6.171 6.937 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.119 -6.046 7.719 1.00 0.00 H new ATOM 1226 N ILE A 81 0.645 -5.525 4.389 1.00 0.00 N ATOM 1227 CA ILE A 81 0.051 -6.281 3.298 1.00 0.00 C ATOM 1228 C ILE A 81 -0.510 -7.608 3.789 1.00 0.00 C ATOM 1229 O ILE A 81 -0.059 -8.152 4.796 1.00 0.00 O ATOM 1230 CB ILE A 81 1.079 -6.561 2.185 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.852 -5.286 1.843 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.387 -7.118 0.951 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.962 -4.129 1.448 1.00 0.00 C ATOM 0 H ILE A 81 1.580 -5.833 4.655 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.758 -5.670 2.897 1.00 0.00 H new ATOM 0 HB ILE A 81 1.788 -7.307 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.454 -4.994 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.543 -5.497 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.127 -7.310 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.120 -8.048 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.343 -6.395 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.577 -3.259 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.379 -4.402 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.288 -3.891 2.271 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.491 -8.127 3.067 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.105 -9.399 3.422 1.00 0.00 C ATOM 1247 C GLU A 82 -2.300 -10.259 2.178 1.00 0.00 C ATOM 1248 O GLU A 82 -3.039 -9.892 1.265 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.443 -9.174 4.136 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.378 -10.375 4.092 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.607 -10.189 4.960 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.576 -9.557 4.489 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -5.602 -10.675 6.110 1.00 0.00 O ATOM 0 H GLU A 82 -1.879 -7.688 2.232 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.438 -9.924 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.249 -8.916 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.945 -8.319 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.688 -10.552 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.838 -11.264 4.419 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.629 -11.404 2.153 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.726 -12.319 1.025 1.00 0.00 C ATOM 1262 C ILE A 83 -3.132 -12.900 0.915 1.00 0.00 C ATOM 1263 O ILE A 83 -3.545 -13.716 1.738 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.706 -13.470 1.136 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.722 -12.915 1.147 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.890 -14.453 -0.013 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.419 -13.048 2.484 1.00 0.00 C ATOM 0 H ILE A 83 -1.012 -11.720 2.901 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.502 -11.742 0.128 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.877 -14.000 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.309 -13.433 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.695 -11.862 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.163 -15.260 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.898 -14.867 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.741 -13.936 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.425 -12.633 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.856 -12.506 3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.479 -14.101 2.760 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.856 -12.470 -0.108 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.216 -12.940 -0.335 1.00 0.00 C ATOM 1281 C LEU A 84 -5.216 -14.348 -0.922 1.00 0.00 C ATOM 1282 O LEU A 84 -4.165 -14.886 -1.269 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.954 -11.978 -1.268 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.834 -10.499 -0.891 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.757 -9.653 -1.752 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.145 -10.296 0.585 1.00 0.00 C ATOM 0 H LEU A 84 -3.524 -11.794 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.732 -12.973 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.573 -12.112 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.010 -12.249 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.807 -10.181 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.658 -8.605 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.488 -9.773 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.788 -9.973 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.054 -9.239 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.161 -10.632 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.443 -10.872 1.187 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.401 -14.941 -1.027 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.537 -16.285 -1.570 1.00 0.00 C ATOM 1300 C LYS A 85 -6.873 -16.238 -3.055 1.00 0.00 C ATOM 1301 O LYS A 85 -8.031 -16.069 -3.436 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.617 -17.059 -0.809 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.103 -18.328 -0.146 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.445 -19.258 -1.155 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.105 -19.769 -0.650 1.00 0.00 C ATOM 1306 NZ LYS A 85 -5.228 -21.102 0.002 1.00 0.00 N ATOM 0 H LYS A 85 -7.281 -14.510 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.583 -16.799 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.049 -16.410 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.420 -17.319 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.386 -18.068 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.929 -18.845 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.104 -20.102 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.303 -18.731 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.405 -19.836 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.689 -19.055 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.293 -21.415 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.876 -21.034 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.601 -21.790 -0.683 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.850 -16.389 -3.885 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.048 -16.362 -5.322 1.00 0.00 C ATOM 1322 C GLY A 86 -6.803 -17.577 -5.826 1.00 0.00 C ATOM 1323 O GLY A 86 -6.204 -18.379 -6.574 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.992 -17.725 -5.474 1.00 0.00 O ATOM 0 H GLY A 86 -4.884 -16.530 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.596 -15.459 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.079 -16.308 -5.818 1.00 0.00 H new