USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 45 MET CE :methyl -145:sc= 0 (180deg=-0.83) USER MOD Set 1.2: A 80 MET CE :methyl -108:sc= -0.0327 (180deg=-0.609) USER MOD Set 2.1: A 69 SER OG : rot -89:sc= 1.28 USER MOD Set 2.2: A 71 THR OG1 : rot -60:sc= 0.526 USER MOD Set 3.1: A 38 THR OG1 : rot -148:sc= -8.39! USER MOD Set 3.2: A 58 GLN : amide:sc= -0.159 X(o=-8.5,f=-8.5) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 16 GLN : amide:sc= -0.4 K(o=-0.4,f=-0.94) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.237 X(o=0.24,f=-0.0066) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 35 CYS SG : rot -14:sc= -0.578 USER MOD Single : A 37 SER OG : rot 150:sc= -0.104 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -123:sc= -0.63 (180deg=-3.3!) USER MOD Single : A 50 GLN : amide:sc= -0.691 K(o=-0.69,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= -0.0751 K(o=-0.075,f=-0.75) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.398 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 156:sc= -1.06 (180deg=-2.87!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.537 8.889 0.608 1.00 0.00 N ATOM 66 CA TYR A 5 -5.127 8.000 -0.484 1.00 0.00 C ATOM 67 C TYR A 5 -6.349 7.549 -1.285 1.00 0.00 C ATOM 68 O TYR A 5 -6.309 7.469 -2.514 1.00 0.00 O ATOM 69 CB TYR A 5 -4.404 6.763 0.067 1.00 0.00 C ATOM 70 CG TYR A 5 -3.081 7.174 0.673 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.013 7.547 2.023 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.922 7.184 -0.113 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.790 7.929 2.583 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.698 7.567 0.449 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.632 7.939 1.797 1.00 0.00 C ATOM 76 OH TYR A 5 0.574 8.315 2.350 1.00 0.00 O ATOM 0 HA TYR A 5 -4.447 8.553 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.023 6.273 0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.240 6.040 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.906 7.539 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.972 6.896 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.739 8.217 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.195 7.575 -0.158 1.00 0.00 H new ATOM 0 HH TYR A 5 1.276 8.265 1.668 1.00 0.00 H new ATOM 86 N LYS A 6 -7.439 7.270 -0.565 1.00 0.00 N ATOM 87 CA LYS A 6 -8.687 6.839 -1.203 1.00 0.00 C ATOM 88 C LYS A 6 -9.452 8.042 -1.766 1.00 0.00 C ATOM 89 O LYS A 6 -10.222 7.909 -2.718 1.00 0.00 O ATOM 90 CB LYS A 6 -9.579 6.107 -0.194 1.00 0.00 C ATOM 91 CG LYS A 6 -9.111 4.657 -0.049 1.00 0.00 C ATOM 92 CD LYS A 6 -7.774 4.618 0.698 1.00 0.00 C ATOM 93 CE LYS A 6 -7.512 3.203 1.217 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.070 2.328 0.092 1.00 0.00 N ATOM 0 H LYS A 6 -7.484 7.334 0.452 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.429 6.164 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.540 6.610 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.617 6.133 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.858 4.076 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.003 4.200 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.967 4.927 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.791 5.323 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.748 3.226 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.417 2.799 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.893 1.367 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.813 2.296 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.196 2.710 -0.322 1.00 0.00 H new ATOM 108 N ALA A 7 -9.228 9.220 -1.169 1.00 0.00 N ATOM 109 CA ALA A 7 -9.897 10.442 -1.619 1.00 0.00 C ATOM 110 C ALA A 7 -9.398 10.869 -3.005 1.00 0.00 C ATOM 111 O ALA A 7 -10.112 11.542 -3.743 1.00 0.00 O ATOM 112 CB ALA A 7 -9.645 11.583 -0.631 1.00 0.00 C ATOM 0 H ALA A 7 -8.594 9.350 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.964 10.229 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.149 12.484 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.032 11.307 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.574 11.771 -0.558 1.00 0.00 H new ATOM 118 N ALA A 8 -8.167 10.475 -3.350 1.00 0.00 N ATOM 119 CA ALA A 8 -7.594 10.834 -4.651 1.00 0.00 C ATOM 120 C ALA A 8 -8.045 9.861 -5.740 1.00 0.00 C ATOM 121 O ALA A 8 -8.392 10.275 -6.846 1.00 0.00 O ATOM 122 CB ALA A 8 -6.067 10.827 -4.582 1.00 0.00 C ATOM 0 H ALA A 8 -7.556 9.915 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.948 11.835 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.658 11.096 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.733 11.549 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.720 9.832 -4.304 1.00 0.00 H new ATOM 128 N VAL A 9 -8.034 8.565 -5.418 1.00 0.00 N ATOM 129 CA VAL A 9 -8.445 7.535 -6.383 1.00 0.00 C ATOM 130 C VAL A 9 -9.938 7.658 -6.727 1.00 0.00 C ATOM 131 O VAL A 9 -10.373 7.220 -7.794 1.00 0.00 O ATOM 132 CB VAL A 9 -8.149 6.128 -5.836 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.063 5.816 -4.646 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.378 5.090 -6.939 1.00 0.00 C ATOM 0 H VAL A 9 -7.749 8.204 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.868 7.690 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.111 6.091 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.842 4.817 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.894 6.547 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.104 5.861 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.168 4.094 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.414 5.138 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.715 5.299 -7.779 1.00 0.00 H new ATOM 144 N GLU A 10 -10.716 8.259 -5.821 1.00 0.00 N ATOM 145 CA GLU A 10 -12.149 8.431 -6.054 1.00 0.00 C ATOM 146 C GLU A 10 -12.430 9.647 -6.948 1.00 0.00 C ATOM 147 O GLU A 10 -13.502 9.742 -7.548 1.00 0.00 O ATOM 148 CB GLU A 10 -12.891 8.592 -4.723 1.00 0.00 C ATOM 149 CG GLU A 10 -12.473 9.897 -4.037 1.00 0.00 C ATOM 150 CD GLU A 10 -13.554 10.332 -3.054 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.496 9.904 -1.912 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.423 11.088 -3.455 1.00 0.00 O ATOM 0 H GLU A 10 -10.381 8.629 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.508 7.537 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.967 8.593 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.673 7.745 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.527 9.757 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.312 10.675 -4.783 1.00 0.00 H new ATOM 159 N GLN A 11 -11.464 10.573 -7.037 1.00 0.00 N ATOM 160 CA GLN A 11 -11.646 11.768 -7.870 1.00 0.00 C ATOM 161 C GLN A 11 -10.421 12.018 -8.760 1.00 0.00 C ATOM 162 O GLN A 11 -10.091 13.165 -9.076 1.00 0.00 O ATOM 163 CB GLN A 11 -11.911 13.003 -6.995 1.00 0.00 C ATOM 164 CG GLN A 11 -10.700 13.286 -6.096 1.00 0.00 C ATOM 165 CD GLN A 11 -11.162 13.943 -4.795 1.00 0.00 C ATOM 166 OE1 GLN A 11 -12.238 13.635 -4.279 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.400 14.835 -4.221 1.00 0.00 N ATOM 0 H GLN A 11 -10.568 10.520 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.510 11.592 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.114 13.868 -7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.798 12.840 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.173 12.357 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.996 13.938 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.509 15.093 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.696 15.274 -3.349 1.00 0.00 H new ATOM 176 N LEU A 12 -9.760 10.933 -9.172 1.00 0.00 N ATOM 177 CA LEU A 12 -8.577 11.049 -10.038 1.00 0.00 C ATOM 178 C LEU A 12 -8.986 11.463 -11.457 1.00 0.00 C ATOM 179 O LEU A 12 -10.173 11.575 -11.769 1.00 0.00 O ATOM 180 CB LEU A 12 -7.788 9.728 -10.104 1.00 0.00 C ATOM 181 CG LEU A 12 -8.604 8.437 -9.972 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.764 8.440 -10.971 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.696 7.236 -10.250 1.00 0.00 C ATOM 0 H LEU A 12 -10.016 9.977 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.935 11.815 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.252 9.698 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.037 9.739 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.008 8.371 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.336 7.518 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.413 9.293 -10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.371 8.511 -11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.272 6.315 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.292 7.311 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.877 7.225 -9.531 1.00 0.00 H new ATOM 195 N THR A 13 -7.984 11.690 -12.312 1.00 0.00 N ATOM 196 CA THR A 13 -8.246 12.096 -13.696 1.00 0.00 C ATOM 197 C THR A 13 -8.430 10.879 -14.595 1.00 0.00 C ATOM 198 O THR A 13 -8.078 9.755 -14.231 1.00 0.00 O ATOM 199 CB THR A 13 -7.090 12.939 -14.257 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.901 12.686 -13.520 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.441 14.424 -14.172 1.00 0.00 C ATOM 0 H THR A 13 -6.996 11.601 -12.074 1.00 0.00 H new ATOM 0 HA THR A 13 -9.160 12.690 -13.684 1.00 0.00 H new ATOM 0 HB THR A 13 -6.928 12.667 -15.300 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.169 13.226 -13.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.617 15.016 -14.571 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.343 14.619 -14.753 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.614 14.698 -13.131 1.00 0.00 H new ATOM 209 N ASP A 14 -8.966 11.130 -15.791 1.00 0.00 N ATOM 210 CA ASP A 14 -9.177 10.065 -16.770 1.00 0.00 C ATOM 211 C ASP A 14 -7.830 9.547 -17.276 1.00 0.00 C ATOM 212 O ASP A 14 -7.683 8.365 -17.591 1.00 0.00 O ATOM 213 CB ASP A 14 -9.994 10.578 -17.959 1.00 0.00 C ATOM 214 CG ASP A 14 -11.457 10.725 -17.549 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.191 9.759 -17.687 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.823 11.801 -17.103 1.00 0.00 O ATOM 0 H ASP A 14 -9.260 12.056 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.724 9.258 -16.283 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.602 11.538 -18.296 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.908 9.887 -18.797 1.00 0.00 H new ATOM 221 N GLU A 15 -6.841 10.450 -17.330 1.00 0.00 N ATOM 222 CA GLU A 15 -5.497 10.083 -17.779 1.00 0.00 C ATOM 223 C GLU A 15 -4.804 9.212 -16.729 1.00 0.00 C ATOM 224 O GLU A 15 -3.978 8.363 -17.063 1.00 0.00 O ATOM 225 CB GLU A 15 -4.647 11.333 -18.023 1.00 0.00 C ATOM 226 CG GLU A 15 -5.101 12.023 -19.314 1.00 0.00 C ATOM 227 CD GLU A 15 -5.041 13.537 -19.130 1.00 0.00 C ATOM 228 OE1 GLU A 15 -6.000 14.090 -18.613 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.040 14.121 -19.509 1.00 0.00 O ATOM 0 H GLU A 15 -6.948 11.431 -17.070 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.597 9.526 -18.711 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.741 12.018 -17.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.594 11.060 -18.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.462 11.721 -20.144 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.116 11.716 -19.565 1.00 0.00 H new ATOM 236 N GLN A 16 -5.160 9.428 -15.456 1.00 0.00 N ATOM 237 CA GLN A 16 -4.582 8.656 -14.354 1.00 0.00 C ATOM 238 C GLN A 16 -5.121 7.225 -14.378 1.00 0.00 C ATOM 239 O GLN A 16 -4.369 6.263 -14.206 1.00 0.00 O ATOM 240 CB GLN A 16 -4.925 9.311 -13.007 1.00 0.00 C ATOM 241 CG GLN A 16 -4.386 8.458 -11.853 1.00 0.00 C ATOM 242 CD GLN A 16 -3.716 9.356 -10.816 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.536 9.188 -10.513 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.405 10.311 -10.249 1.00 0.00 N ATOM 0 H GLN A 16 -5.843 10.128 -15.167 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.499 8.636 -14.475 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.496 10.312 -12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.005 9.423 -12.913 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.199 7.898 -11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.671 7.728 -12.232 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.384 10.451 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.964 10.916 -9.556 1.00 0.00 H new ATOM 253 N LYS A 17 -6.433 7.099 -14.608 1.00 0.00 N ATOM 254 CA LYS A 17 -7.073 5.782 -14.671 1.00 0.00 C ATOM 255 C LYS A 17 -6.492 4.970 -15.826 1.00 0.00 C ATOM 256 O LYS A 17 -6.191 3.786 -15.680 1.00 0.00 O ATOM 257 CB LYS A 17 -8.587 5.919 -14.878 1.00 0.00 C ATOM 258 CG LYS A 17 -9.211 6.664 -13.695 1.00 0.00 C ATOM 259 CD LYS A 17 -10.327 7.584 -14.199 1.00 0.00 C ATOM 260 CE LYS A 17 -11.688 7.032 -13.764 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.631 8.163 -13.522 1.00 0.00 N ATOM 0 H LYS A 17 -7.066 7.885 -14.752 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.884 5.274 -13.725 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.789 6.457 -15.804 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.040 4.932 -14.977 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.611 5.952 -12.974 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.450 7.248 -13.178 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.189 8.590 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.285 7.661 -15.286 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.087 6.371 -14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.578 6.436 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.555 7.788 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.252 8.777 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.745 8.713 -14.397 1.00 0.00 H new ATOM 275 N ASN A 18 -6.331 5.629 -16.978 1.00 0.00 N ATOM 276 CA ASN A 18 -5.778 4.968 -18.164 1.00 0.00 C ATOM 277 C ASN A 18 -4.265 4.767 -18.033 1.00 0.00 C ATOM 278 O ASN A 18 -3.707 3.836 -18.614 1.00 0.00 O ATOM 279 CB ASN A 18 -6.062 5.792 -19.425 1.00 0.00 C ATOM 280 CG ASN A 18 -7.483 5.515 -19.908 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.779 4.420 -20.388 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.390 6.449 -19.809 1.00 0.00 N ATOM 0 H ASN A 18 -6.573 6.610 -17.114 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.261 3.994 -18.246 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.940 6.854 -19.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.346 5.539 -20.206 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.342 6.271 -20.129 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.146 7.356 -19.412 1.00 0.00 H new ATOM 289 N GLU A 19 -3.610 5.647 -17.263 1.00 0.00 N ATOM 290 CA GLU A 19 -2.160 5.554 -17.059 1.00 0.00 C ATOM 291 C GLU A 19 -1.772 4.154 -16.585 1.00 0.00 C ATOM 292 O GLU A 19 -0.863 3.528 -17.134 1.00 0.00 O ATOM 293 CB GLU A 19 -1.695 6.577 -16.014 1.00 0.00 C ATOM 294 CG GLU A 19 -0.165 6.638 -15.994 1.00 0.00 C ATOM 295 CD GLU A 19 0.317 7.745 -16.926 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.468 7.476 -18.106 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.527 8.848 -16.444 1.00 0.00 O ATOM 0 H GLU A 19 -4.057 6.424 -16.776 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.677 5.762 -18.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.104 7.560 -16.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.070 6.300 -15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.188 6.824 -14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.251 5.680 -16.306 1.00 0.00 H new ATOM 304 N PHE A 20 -2.472 3.676 -15.555 1.00 0.00 N ATOM 305 CA PHE A 20 -2.196 2.352 -15.002 1.00 0.00 C ATOM 306 C PHE A 20 -3.011 1.271 -15.710 1.00 0.00 C ATOM 307 O PHE A 20 -2.486 0.208 -16.026 1.00 0.00 O ATOM 308 CB PHE A 20 -2.530 2.312 -13.512 1.00 0.00 C ATOM 309 CG PHE A 20 -1.369 2.855 -12.715 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.342 2.000 -12.306 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.323 4.214 -12.383 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.733 2.498 -11.563 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.248 4.714 -11.641 1.00 0.00 C ATOM 314 CZ PHE A 20 0.780 3.855 -11.230 1.00 0.00 C ATOM 0 H PHE A 20 -3.227 4.181 -15.091 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.134 2.157 -15.153 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.426 2.901 -13.315 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.747 1.289 -13.206 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.379 0.952 -12.564 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.116 4.875 -12.699 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.525 1.836 -11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.210 5.762 -11.385 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.609 4.241 -10.656 1.00 0.00 H new ATOM 324 N LYS A 21 -4.303 1.541 -15.937 1.00 0.00 N ATOM 325 CA LYS A 21 -5.176 0.557 -16.589 1.00 0.00 C ATOM 326 C LYS A 21 -4.599 0.081 -17.922 1.00 0.00 C ATOM 327 O LYS A 21 -4.715 -1.095 -18.260 1.00 0.00 O ATOM 328 CB LYS A 21 -6.580 1.123 -16.825 1.00 0.00 C ATOM 329 CG LYS A 21 -7.518 -0.020 -17.242 1.00 0.00 C ATOM 330 CD LYS A 21 -8.101 0.231 -18.641 1.00 0.00 C ATOM 331 CE LYS A 21 -6.988 0.548 -19.646 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.585 0.804 -20.989 1.00 0.00 N ATOM 0 H LYS A 21 -4.761 2.417 -15.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.241 -0.293 -15.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.950 1.602 -15.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.552 1.888 -17.601 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.973 -0.964 -17.235 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.327 -0.114 -16.518 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.656 -0.647 -18.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.808 1.059 -18.602 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.423 1.420 -19.316 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.286 -0.284 -19.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.829 1.019 -21.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.105 -0.040 -21.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.238 1.611 -20.931 1.00 0.00 H new ATOM 346 N ALA A 22 -3.979 0.993 -18.678 1.00 0.00 N ATOM 347 CA ALA A 22 -3.390 0.625 -19.971 1.00 0.00 C ATOM 348 C ALA A 22 -2.419 -0.540 -19.791 1.00 0.00 C ATOM 349 O ALA A 22 -2.514 -1.560 -20.476 1.00 0.00 O ATOM 350 CB ALA A 22 -2.638 1.808 -20.580 1.00 0.00 C ATOM 0 H ALA A 22 -3.872 1.975 -18.424 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.200 0.333 -20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.210 1.513 -21.538 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.328 2.638 -20.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.840 2.118 -19.906 1.00 0.00 H new ATOM 356 N ALA A 23 -1.502 -0.379 -18.835 1.00 0.00 N ATOM 357 CA ALA A 23 -0.526 -1.421 -18.530 1.00 0.00 C ATOM 358 C ALA A 23 -1.226 -2.596 -17.847 1.00 0.00 C ATOM 359 O ALA A 23 -0.876 -3.755 -18.059 1.00 0.00 O ATOM 360 CB ALA A 23 0.559 -0.881 -17.597 1.00 0.00 C ATOM 0 H ALA A 23 -1.417 0.460 -18.262 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.067 -1.749 -19.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.278 -1.671 -17.380 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.070 -0.047 -18.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.103 -0.540 -16.668 1.00 0.00 H new ATOM 366 N PHE A 24 -2.229 -2.273 -17.029 1.00 0.00 N ATOM 367 CA PHE A 24 -2.992 -3.294 -16.313 1.00 0.00 C ATOM 368 C PHE A 24 -3.673 -4.247 -17.297 1.00 0.00 C ATOM 369 O PHE A 24 -3.604 -5.463 -17.139 1.00 0.00 O ATOM 370 CB PHE A 24 -4.064 -2.636 -15.432 1.00 0.00 C ATOM 371 CG PHE A 24 -4.521 -3.607 -14.368 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.441 -4.614 -14.684 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.027 -3.498 -13.064 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.863 -5.509 -13.695 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.448 -4.392 -12.078 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.366 -5.398 -12.392 1.00 0.00 C ATOM 0 H PHE A 24 -2.530 -1.316 -16.847 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.298 -3.857 -15.688 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.663 -1.736 -14.967 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.912 -2.328 -16.044 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.824 -4.700 -15.690 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.318 -2.721 -12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.573 -6.286 -13.938 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.064 -4.306 -11.072 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.692 -6.089 -11.629 1.00 0.00 H new ATOM 386 N ASP A 25 -4.340 -3.676 -18.306 1.00 0.00 N ATOM 387 CA ASP A 25 -5.051 -4.479 -19.307 1.00 0.00 C ATOM 388 C ASP A 25 -4.114 -5.433 -20.060 1.00 0.00 C ATOM 389 O ASP A 25 -4.499 -6.561 -20.378 1.00 0.00 O ATOM 390 CB ASP A 25 -5.746 -3.566 -20.324 1.00 0.00 C ATOM 391 CG ASP A 25 -6.934 -4.297 -20.945 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.725 -5.010 -21.914 1.00 0.00 O ATOM 393 OD2 ASP A 25 -8.034 -4.134 -20.443 1.00 0.00 O ATOM 0 H ASP A 25 -4.402 -2.668 -18.451 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.786 -5.076 -18.767 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.084 -2.652 -19.835 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.042 -3.270 -21.102 1.00 0.00 H new ATOM 398 N ILE A 26 -2.896 -4.971 -20.357 1.00 0.00 N ATOM 399 CA ILE A 26 -1.935 -5.804 -21.096 1.00 0.00 C ATOM 400 C ILE A 26 -1.250 -6.831 -20.186 1.00 0.00 C ATOM 401 O ILE A 26 -1.032 -7.973 -20.594 1.00 0.00 O ATOM 402 CB ILE A 26 -0.869 -4.941 -21.795 1.00 0.00 C ATOM 403 CG1 ILE A 26 -0.170 -4.031 -20.776 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.540 -4.081 -22.869 1.00 0.00 C ATOM 405 CD1 ILE A 26 0.959 -3.250 -21.454 1.00 0.00 C ATOM 0 H ILE A 26 -2.554 -4.044 -20.104 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.507 -6.342 -21.852 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.126 -5.594 -22.253 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.891 -3.339 -20.341 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.232 -4.629 -19.958 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.788 -3.468 -23.366 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.025 -4.726 -23.601 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.285 -3.435 -22.405 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.448 -2.608 -20.722 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.687 -3.948 -21.868 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.547 -2.638 -22.256 1.00 0.00 H new ATOM 417 N PHE A 27 -0.910 -6.425 -18.957 1.00 0.00 N ATOM 418 CA PHE A 27 -0.248 -7.342 -18.019 1.00 0.00 C ATOM 419 C PHE A 27 -1.205 -8.448 -17.557 1.00 0.00 C ATOM 420 O PHE A 27 -0.791 -9.595 -17.380 1.00 0.00 O ATOM 421 CB PHE A 27 0.293 -6.586 -16.798 1.00 0.00 C ATOM 422 CG PHE A 27 1.494 -5.756 -17.205 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.542 -6.339 -17.933 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.553 -4.401 -16.863 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.642 -5.564 -18.318 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.654 -3.628 -17.248 1.00 0.00 C ATOM 427 CZ PHE A 27 3.698 -4.209 -17.976 1.00 0.00 C ATOM 0 H PHE A 27 -1.078 -5.487 -18.593 1.00 0.00 H new ATOM 0 HA PHE A 27 0.587 -7.800 -18.549 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.483 -5.942 -16.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.574 -7.291 -16.016 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.500 -7.386 -18.196 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.748 -3.951 -16.301 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.448 -6.013 -18.880 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.698 -2.582 -16.983 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.547 -3.611 -18.274 1.00 0.00 H new ATOM 437 N ILE A 28 -2.487 -8.102 -17.377 1.00 0.00 N ATOM 438 CA ILE A 28 -3.483 -9.100 -16.948 1.00 0.00 C ATOM 439 C ILE A 28 -4.179 -9.752 -18.154 1.00 0.00 C ATOM 440 O ILE A 28 -5.119 -10.530 -17.984 1.00 0.00 O ATOM 441 CB ILE A 28 -4.553 -8.472 -16.036 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.466 -7.542 -16.851 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.885 -7.675 -14.915 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.734 -8.295 -17.263 1.00 0.00 C ATOM 0 H ILE A 28 -2.856 -7.161 -17.517 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.939 -9.862 -16.391 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.152 -9.272 -15.602 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.728 -6.665 -16.260 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.940 -7.184 -17.736 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.650 -7.235 -14.276 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.255 -8.338 -14.323 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.273 -6.883 -15.347 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.379 -7.633 -17.841 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.463 -9.158 -17.871 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.264 -8.631 -16.371 1.00 0.00 H new ATOM 456 N GLN A 29 -3.713 -9.429 -19.370 1.00 0.00 N ATOM 457 CA GLN A 29 -4.298 -9.986 -20.596 1.00 0.00 C ATOM 458 C GLN A 29 -4.457 -11.508 -20.493 1.00 0.00 C ATOM 459 O GLN A 29 -5.484 -12.066 -20.884 1.00 0.00 O ATOM 460 CB GLN A 29 -3.402 -9.651 -21.794 1.00 0.00 C ATOM 461 CG GLN A 29 -4.024 -10.197 -23.080 1.00 0.00 C ATOM 462 CD GLN A 29 -5.127 -9.253 -23.557 1.00 0.00 C ATOM 463 OE1 GLN A 29 -6.305 -9.609 -23.540 1.00 0.00 O ATOM 464 NE2 GLN A 29 -4.812 -8.058 -23.984 1.00 0.00 N ATOM 0 H GLN A 29 -2.936 -8.788 -19.529 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.285 -9.543 -20.732 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.274 -8.571 -21.872 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.411 -10.080 -21.649 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.260 -10.299 -23.851 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.434 -11.192 -22.904 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.836 -7.762 -23.998 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.542 -7.421 -24.303 1.00 0.00 H new ATOM 473 N ASP A 30 -3.426 -12.166 -19.962 1.00 0.00 N ATOM 474 CA ASP A 30 -3.443 -13.627 -19.805 1.00 0.00 C ATOM 475 C ASP A 30 -3.731 -14.033 -18.348 1.00 0.00 C ATOM 476 O ASP A 30 -3.328 -15.110 -17.902 1.00 0.00 O ATOM 477 CB ASP A 30 -2.097 -14.226 -20.245 1.00 0.00 C ATOM 478 CG ASP A 30 -0.951 -13.588 -19.457 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.478 -12.543 -19.876 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.563 -14.154 -18.449 1.00 0.00 O ATOM 0 H ASP A 30 -2.571 -11.716 -19.634 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.242 -14.016 -20.436 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.101 -15.304 -20.086 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.949 -14.062 -21.312 1.00 0.00 H new ATOM 485 N ALA A 31 -4.436 -13.163 -17.615 1.00 0.00 N ATOM 486 CA ALA A 31 -4.775 -13.442 -16.218 1.00 0.00 C ATOM 487 C ALA A 31 -6.208 -13.954 -16.103 1.00 0.00 C ATOM 488 O ALA A 31 -7.076 -13.609 -16.907 1.00 0.00 O ATOM 489 CB ALA A 31 -4.629 -12.181 -15.364 1.00 0.00 C ATOM 0 H ALA A 31 -4.779 -12.268 -17.964 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.086 -14.206 -15.857 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.886 -12.410 -14.330 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.600 -11.826 -15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.298 -11.407 -15.741 1.00 0.00 H new ATOM 495 N GLU A 32 -6.440 -14.779 -15.080 1.00 0.00 N ATOM 496 CA GLU A 32 -7.771 -15.342 -14.841 1.00 0.00 C ATOM 497 C GLU A 32 -8.289 -14.901 -13.469 1.00 0.00 C ATOM 498 O GLU A 32 -8.823 -15.703 -12.698 1.00 0.00 O ATOM 499 CB GLU A 32 -7.721 -16.874 -14.902 1.00 0.00 C ATOM 500 CG GLU A 32 -7.357 -17.321 -16.323 1.00 0.00 C ATOM 501 CD GLU A 32 -6.610 -18.650 -16.267 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.406 -18.623 -16.067 1.00 0.00 O ATOM 503 OE2 GLU A 32 -7.252 -19.676 -16.427 1.00 0.00 O ATOM 0 H GLU A 32 -5.730 -15.071 -14.408 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.445 -14.977 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.986 -17.252 -14.191 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.686 -17.291 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.260 -17.425 -16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.738 -16.565 -16.805 1.00 0.00 H new ATOM 510 N ASP A 33 -8.118 -13.608 -13.173 1.00 0.00 N ATOM 511 CA ASP A 33 -8.564 -13.057 -11.890 1.00 0.00 C ATOM 512 C ASP A 33 -8.818 -11.551 -11.992 1.00 0.00 C ATOM 513 O ASP A 33 -9.851 -11.055 -11.537 1.00 0.00 O ATOM 514 CB ASP A 33 -7.512 -13.313 -10.805 1.00 0.00 C ATOM 515 CG ASP A 33 -8.168 -13.248 -9.429 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.705 -14.256 -9.002 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.124 -12.190 -8.822 1.00 0.00 O ATOM 0 H ASP A 33 -7.679 -12.931 -13.797 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.496 -13.556 -11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.052 -14.290 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.716 -12.572 -10.875 1.00 0.00 H new ATOM 522 N GLY A 34 -7.863 -10.835 -12.586 1.00 0.00 N ATOM 523 CA GLY A 34 -7.980 -9.384 -12.739 1.00 0.00 C ATOM 524 C GLY A 34 -6.905 -8.665 -11.924 1.00 0.00 C ATOM 525 O GLY A 34 -7.175 -7.648 -11.284 1.00 0.00 O ATOM 0 H GLY A 34 -7.005 -11.233 -12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.885 -9.116 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.968 -9.058 -12.414 1.00 0.00 H new ATOM 529 N CYS A 35 -5.685 -9.213 -11.960 1.00 0.00 N ATOM 530 CA CYS A 35 -4.555 -8.635 -11.229 1.00 0.00 C ATOM 531 C CYS A 35 -3.257 -8.890 -11.996 1.00 0.00 C ATOM 532 O CYS A 35 -3.094 -9.939 -12.624 1.00 0.00 O ATOM 533 CB CYS A 35 -4.424 -9.262 -9.834 1.00 0.00 C ATOM 534 SG CYS A 35 -6.033 -9.269 -9.003 1.00 0.00 S ATOM 0 H CYS A 35 -5.457 -10.055 -12.488 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.735 -7.565 -11.128 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.045 -10.280 -9.918 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.702 -8.701 -9.241 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.855 -8.491 -9.642 1.00 0.00 H new ATOM 540 N ILE A 36 -2.331 -7.930 -11.933 1.00 0.00 N ATOM 541 CA ILE A 36 -1.047 -8.087 -12.625 1.00 0.00 C ATOM 542 C ILE A 36 -0.075 -8.863 -11.738 1.00 0.00 C ATOM 543 O ILE A 36 -0.324 -9.055 -10.545 1.00 0.00 O ATOM 544 CB ILE A 36 -0.422 -6.728 -13.007 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.230 -6.071 -11.779 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.495 -5.792 -13.574 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.758 -6.177 -11.888 1.00 0.00 C ATOM 0 H ILE A 36 -2.440 -7.054 -11.422 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.237 -8.636 -13.547 1.00 0.00 H new ATOM 0 HB ILE A 36 0.341 -6.905 -13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.068 -5.025 -11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.114 -6.559 -10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.041 -4.837 -13.839 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.938 -6.242 -14.462 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.269 -5.630 -12.824 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.218 -5.711 -11.017 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.048 -7.227 -11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.094 -5.669 -12.792 1.00 0.00 H new ATOM 559 N SER A 37 1.036 -9.299 -12.324 1.00 0.00 N ATOM 560 CA SER A 37 2.036 -10.044 -11.567 1.00 0.00 C ATOM 561 C SER A 37 2.974 -9.076 -10.848 1.00 0.00 C ATOM 562 O SER A 37 3.827 -8.443 -11.472 1.00 0.00 O ATOM 563 CB SER A 37 2.853 -10.950 -12.492 1.00 0.00 C ATOM 564 OG SER A 37 3.811 -11.670 -11.724 1.00 0.00 O ATOM 0 H SER A 37 1.265 -9.152 -13.307 1.00 0.00 H new ATOM 0 HA SER A 37 1.518 -10.664 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.194 -11.644 -13.015 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.355 -10.353 -13.253 1.00 0.00 H new ATOM 0 HG SER A 37 3.987 -12.536 -12.149 1.00 0.00 H new ATOM 570 N THR A 38 2.807 -8.974 -9.525 1.00 0.00 N ATOM 571 CA THR A 38 3.653 -8.085 -8.718 1.00 0.00 C ATOM 572 C THR A 38 5.130 -8.465 -8.879 1.00 0.00 C ATOM 573 O THR A 38 6.011 -7.605 -8.838 1.00 0.00 O ATOM 574 CB THR A 38 3.261 -8.158 -7.233 1.00 0.00 C ATOM 575 OG1 THR A 38 4.096 -7.291 -6.481 1.00 0.00 O ATOM 576 CG2 THR A 38 3.410 -9.586 -6.706 1.00 0.00 C ATOM 0 H THR A 38 2.104 -9.488 -8.995 1.00 0.00 H new ATOM 0 HA THR A 38 3.503 -7.065 -9.071 1.00 0.00 H new ATOM 0 HB THR A 38 2.219 -7.853 -7.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.232 -7.664 -5.585 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.128 -9.617 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.762 -10.253 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.446 -9.907 -6.813 1.00 0.00 H new ATOM 584 N LYS A 39 5.382 -9.763 -9.082 1.00 0.00 N ATOM 585 CA LYS A 39 6.751 -10.253 -9.273 1.00 0.00 C ATOM 586 C LYS A 39 7.293 -9.786 -10.624 1.00 0.00 C ATOM 587 O LYS A 39 8.502 -9.618 -10.797 1.00 0.00 O ATOM 588 CB LYS A 39 6.799 -11.790 -9.225 1.00 0.00 C ATOM 589 CG LYS A 39 5.991 -12.320 -8.032 1.00 0.00 C ATOM 590 CD LYS A 39 6.353 -11.538 -6.765 1.00 0.00 C ATOM 591 CE LYS A 39 5.465 -11.998 -5.604 1.00 0.00 C ATOM 592 NZ LYS A 39 5.839 -13.385 -5.199 1.00 0.00 N ATOM 0 H LYS A 39 4.664 -10.486 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 39 7.363 -9.851 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.400 -12.201 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.834 -12.124 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.924 -12.227 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.196 -13.381 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.403 -11.694 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.221 -10.469 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.577 -11.320 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.417 -11.966 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.357 -13.629 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.553 -14.053 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.868 -13.441 -5.061 1.00 0.00 H new ATOM 606 N GLU A 40 6.378 -9.572 -11.577 1.00 0.00 N ATOM 607 CA GLU A 40 6.760 -9.117 -12.915 1.00 0.00 C ATOM 608 C GLU A 40 6.439 -7.627 -13.097 1.00 0.00 C ATOM 609 O GLU A 40 6.251 -7.156 -14.223 1.00 0.00 O ATOM 610 CB GLU A 40 6.021 -9.928 -13.989 1.00 0.00 C ATOM 611 CG GLU A 40 6.299 -11.425 -13.800 1.00 0.00 C ATOM 612 CD GLU A 40 7.774 -11.717 -14.064 1.00 0.00 C ATOM 613 OE1 GLU A 40 8.124 -11.900 -15.219 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.532 -11.754 -13.109 1.00 0.00 O ATOM 0 H GLU A 40 5.375 -9.706 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 40 7.834 -9.266 -13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.949 -9.738 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.344 -9.612 -14.981 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.035 -11.728 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.677 -12.008 -14.479 1.00 0.00 H new ATOM 621 N LEU A 41 6.389 -6.881 -11.982 1.00 0.00 N ATOM 622 CA LEU A 41 6.099 -5.446 -12.045 1.00 0.00 C ATOM 623 C LEU A 41 7.267 -4.659 -12.661 1.00 0.00 C ATOM 624 O LEU A 41 7.130 -3.469 -12.943 1.00 0.00 O ATOM 625 CB LEU A 41 5.799 -4.886 -10.651 1.00 0.00 C ATOM 626 CG LEU A 41 4.703 -3.812 -10.608 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.839 -4.005 -9.360 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.344 -2.421 -10.573 1.00 0.00 C ATOM 0 H LEU A 41 6.543 -7.244 -11.041 1.00 0.00 H new ATOM 0 HA LEU A 41 5.222 -5.329 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.506 -5.710 -10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.716 -4.465 -10.239 1.00 0.00 H new ATOM 0 HG LEU A 41 4.080 -3.902 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.062 -3.241 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.376 -4.992 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.462 -3.920 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.563 -1.661 -10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.972 -2.332 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.954 -2.279 -11.465 1.00 0.00 H new ATOM 640 N GLY A 42 8.412 -5.328 -12.882 1.00 0.00 N ATOM 641 CA GLY A 42 9.574 -4.664 -13.484 1.00 0.00 C ATOM 642 C GLY A 42 9.211 -4.080 -14.852 1.00 0.00 C ATOM 643 O GLY A 42 9.645 -2.982 -15.205 1.00 0.00 O ATOM 0 H GLY A 42 8.554 -6.312 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.928 -3.870 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.392 -5.377 -13.592 1.00 0.00 H new ATOM 647 N LYS A 43 8.391 -4.825 -15.606 1.00 0.00 N ATOM 648 CA LYS A 43 7.945 -4.382 -16.927 1.00 0.00 C ATOM 649 C LYS A 43 6.979 -3.194 -16.806 1.00 0.00 C ATOM 650 O LYS A 43 6.784 -2.436 -17.758 1.00 0.00 O ATOM 651 CB LYS A 43 7.235 -5.532 -17.646 1.00 0.00 C ATOM 652 CG LYS A 43 7.268 -5.295 -19.155 1.00 0.00 C ATOM 653 CD LYS A 43 8.625 -5.724 -19.722 1.00 0.00 C ATOM 654 CE LYS A 43 8.642 -7.243 -19.927 1.00 0.00 C ATOM 655 NZ LYS A 43 8.147 -7.571 -21.296 1.00 0.00 N ATOM 0 H LYS A 43 8.026 -5.734 -15.322 1.00 0.00 H new ATOM 0 HA LYS A 43 8.821 -4.070 -17.496 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.720 -6.478 -17.406 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.203 -5.607 -17.302 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.469 -5.857 -19.638 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.091 -4.241 -19.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.811 -5.217 -20.669 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.424 -5.430 -19.041 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.654 -7.626 -19.794 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.016 -7.728 -19.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.160 -8.602 -21.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.175 -7.219 -21.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.761 -7.121 -22.004 1.00 0.00 H new ATOM 669 N VAL A 44 6.382 -3.046 -15.619 1.00 0.00 N ATOM 670 CA VAL A 44 5.442 -1.956 -15.359 1.00 0.00 C ATOM 671 C VAL A 44 6.203 -0.697 -14.956 1.00 0.00 C ATOM 672 O VAL A 44 5.980 0.379 -15.507 1.00 0.00 O ATOM 673 CB VAL A 44 4.482 -2.320 -14.219 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.299 -1.352 -14.228 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.968 -3.756 -14.388 1.00 0.00 C ATOM 0 H VAL A 44 6.534 -3.668 -14.825 1.00 0.00 H new ATOM 0 HA VAL A 44 4.874 -1.783 -16.273 1.00 0.00 H new ATOM 0 HB VAL A 44 5.015 -2.248 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.614 -1.607 -13.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.661 -0.333 -14.089 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.777 -1.424 -15.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.288 -3.998 -13.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.440 -3.844 -15.337 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.810 -4.448 -14.376 1.00 0.00 H new ATOM 685 N MET A 45 7.100 -0.852 -13.977 1.00 0.00 N ATOM 686 CA MET A 45 7.900 0.269 -13.483 1.00 0.00 C ATOM 687 C MET A 45 8.630 0.965 -14.631 1.00 0.00 C ATOM 688 O MET A 45 8.653 2.195 -14.703 1.00 0.00 O ATOM 689 CB MET A 45 8.930 -0.217 -12.455 1.00 0.00 C ATOM 690 CG MET A 45 8.683 0.472 -11.109 1.00 0.00 C ATOM 691 SD MET A 45 8.266 -0.770 -9.860 1.00 0.00 S ATOM 692 CE MET A 45 8.083 0.364 -8.461 1.00 0.00 C ATOM 0 H MET A 45 7.289 -1.741 -13.513 1.00 0.00 H new ATOM 0 HA MET A 45 7.220 0.978 -13.010 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.859 -1.299 -12.339 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.939 0.001 -12.806 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.571 1.026 -10.804 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.873 1.195 -11.202 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.434 -0.122 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.672 1.263 -8.642 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.033 0.634 -8.347 1.00 0.00 H new ATOM 702 N ARG A 46 9.218 0.169 -15.532 1.00 0.00 N ATOM 703 CA ARG A 46 9.943 0.733 -16.681 1.00 0.00 C ATOM 704 C ARG A 46 9.005 1.576 -17.556 1.00 0.00 C ATOM 705 O ARG A 46 9.417 2.587 -18.126 1.00 0.00 O ATOM 706 CB ARG A 46 10.582 -0.374 -17.534 1.00 0.00 C ATOM 707 CG ARG A 46 9.504 -1.319 -18.074 1.00 0.00 C ATOM 708 CD ARG A 46 10.153 -2.394 -18.949 1.00 0.00 C ATOM 709 NE ARG A 46 10.533 -1.844 -20.252 1.00 0.00 N ATOM 710 CZ ARG A 46 9.641 -1.677 -21.240 1.00 0.00 C ATOM 711 NH1 ARG A 46 8.380 -2.007 -21.072 1.00 0.00 N ATOM 712 NH2 ARG A 46 10.032 -1.180 -22.385 1.00 0.00 N ATOM 0 H ARG A 46 9.208 -0.850 -15.492 1.00 0.00 H new ATOM 0 HA ARG A 46 10.734 1.370 -16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.135 0.069 -18.362 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.300 -0.935 -16.936 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.967 -1.784 -17.247 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.772 -0.757 -18.654 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.034 -2.795 -18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.460 -3.224 -19.088 1.00 0.00 H new ATOM 0 HE ARG A 46 11.505 -1.580 -20.413 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.069 -2.396 -20.182 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.713 -1.875 -21.832 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.009 -0.922 -22.522 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.360 -1.050 -23.141 1.00 0.00 H new ATOM 726 N MET A 47 7.739 1.153 -17.643 1.00 0.00 N ATOM 727 CA MET A 47 6.742 1.878 -18.437 1.00 0.00 C ATOM 728 C MET A 47 6.237 3.116 -17.684 1.00 0.00 C ATOM 729 O MET A 47 5.814 4.096 -18.300 1.00 0.00 O ATOM 730 CB MET A 47 5.547 0.974 -18.753 1.00 0.00 C ATOM 731 CG MET A 47 5.900 0.038 -19.912 1.00 0.00 C ATOM 732 SD MET A 47 5.689 0.914 -21.484 1.00 0.00 S ATOM 733 CE MET A 47 7.443 1.188 -21.837 1.00 0.00 C ATOM 0 H MET A 47 7.383 0.319 -17.177 1.00 0.00 H new ATOM 0 HA MET A 47 7.224 2.190 -19.364 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.276 0.392 -17.872 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.679 1.580 -19.014 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.928 -0.309 -19.812 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.262 -0.845 -19.887 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.627 2.255 -21.961 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.044 0.810 -21.010 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.716 0.664 -22.753 1.00 0.00 H new ATOM 743 N LEU A 48 6.293 3.061 -16.348 1.00 0.00 N ATOM 744 CA LEU A 48 5.848 4.181 -15.515 1.00 0.00 C ATOM 745 C LEU A 48 6.873 5.316 -15.556 1.00 0.00 C ATOM 746 O LEU A 48 6.527 6.487 -15.391 1.00 0.00 O ATOM 747 CB LEU A 48 5.664 3.725 -14.062 1.00 0.00 C ATOM 748 CG LEU A 48 4.245 3.280 -13.677 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.652 2.403 -14.784 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.302 2.481 -12.371 1.00 0.00 C ATOM 0 H LEU A 48 6.640 2.257 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 48 4.896 4.538 -15.907 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.348 2.898 -13.871 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.959 4.542 -13.404 1.00 0.00 H new ATOM 0 HG LEU A 48 3.617 4.161 -13.545 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.646 2.092 -14.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.610 2.970 -15.714 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.278 1.522 -14.925 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.297 2.163 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.935 1.604 -12.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.715 3.106 -11.580 1.00 0.00 H new ATOM 762 N GLY A 49 8.137 4.949 -15.783 1.00 0.00 N ATOM 763 CA GLY A 49 9.219 5.932 -15.854 1.00 0.00 C ATOM 764 C GLY A 49 10.201 5.769 -14.693 1.00 0.00 C ATOM 765 O GLY A 49 10.743 6.754 -14.188 1.00 0.00 O ATOM 0 H GLY A 49 8.435 3.983 -15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.750 5.822 -16.799 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.800 6.938 -15.839 1.00 0.00 H new ATOM 769 N GLN A 50 10.428 4.518 -14.275 1.00 0.00 N ATOM 770 CA GLN A 50 11.354 4.247 -13.169 1.00 0.00 C ATOM 771 C GLN A 50 11.861 2.804 -13.224 1.00 0.00 C ATOM 772 O GLN A 50 11.126 1.887 -13.589 1.00 0.00 O ATOM 773 CB GLN A 50 10.674 4.493 -11.815 1.00 0.00 C ATOM 774 CG GLN A 50 9.361 3.703 -11.730 1.00 0.00 C ATOM 775 CD GLN A 50 8.240 4.621 -11.249 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.791 4.515 -10.108 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.753 5.523 -12.060 1.00 0.00 N ATOM 0 H GLN A 50 9.991 3.689 -14.678 1.00 0.00 H new ATOM 0 HA GLN A 50 12.199 4.927 -13.274 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.340 4.194 -11.006 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.476 5.557 -11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.111 3.288 -12.706 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.475 2.862 -11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.124 5.612 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.002 6.138 -11.747 1.00 0.00 H new ATOM 786 N ASN A 51 13.130 2.615 -12.852 1.00 0.00 N ATOM 787 CA ASN A 51 13.729 1.280 -12.859 1.00 0.00 C ATOM 788 C ASN A 51 14.427 1.000 -11.522 1.00 0.00 C ATOM 789 O ASN A 51 15.638 1.186 -11.386 1.00 0.00 O ATOM 790 CB ASN A 51 14.738 1.152 -14.007 1.00 0.00 C ATOM 791 CG ASN A 51 14.960 -0.324 -14.339 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.005 -1.097 -14.437 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.174 -0.765 -14.524 1.00 0.00 N ATOM 0 H ASN A 51 13.755 3.360 -12.546 1.00 0.00 H new ATOM 0 HA ASN A 51 12.933 0.549 -13.004 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.371 1.681 -14.887 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.683 1.617 -13.726 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.331 -1.747 -14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.966 -0.127 -14.443 1.00 0.00 H new ATOM 800 N PRO A 52 13.657 0.550 -10.522 1.00 0.00 N ATOM 801 CA PRO A 52 14.193 0.240 -9.180 1.00 0.00 C ATOM 802 C PRO A 52 14.815 -1.161 -9.100 1.00 0.00 C ATOM 803 O PRO A 52 15.170 -1.756 -10.120 1.00 0.00 O ATOM 804 CB PRO A 52 12.940 0.334 -8.313 1.00 0.00 C ATOM 805 CG PRO A 52 11.746 0.082 -9.223 1.00 0.00 C ATOM 806 CD PRO A 52 12.204 0.327 -10.664 1.00 0.00 C ATOM 0 HA PRO A 52 15.002 0.907 -8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.973 -0.400 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.868 1.316 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.383 -0.939 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.921 0.746 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.988 -0.527 -11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.705 1.190 -11.104 1.00 0.00 H new ATOM 814 N THR A 53 14.936 -1.677 -7.874 1.00 0.00 N ATOM 815 CA THR A 53 15.507 -3.007 -7.650 1.00 0.00 C ATOM 816 C THR A 53 14.377 -4.010 -7.383 1.00 0.00 C ATOM 817 O THR A 53 13.213 -3.618 -7.278 1.00 0.00 O ATOM 818 CB THR A 53 16.474 -2.976 -6.447 1.00 0.00 C ATOM 819 OG1 THR A 53 15.741 -3.124 -5.237 1.00 0.00 O ATOM 820 CG2 THR A 53 17.234 -1.648 -6.416 1.00 0.00 C ATOM 0 H THR A 53 14.647 -1.195 -7.023 1.00 0.00 H new ATOM 0 HA THR A 53 16.062 -3.311 -8.538 1.00 0.00 H new ATOM 0 HB THR A 53 17.185 -3.796 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.206 -2.654 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.913 -1.637 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.806 -1.535 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.525 -0.825 -6.326 1.00 0.00 H new ATOM 828 N PRO A 54 14.694 -5.308 -7.254 1.00 0.00 N ATOM 829 CA PRO A 54 13.667 -6.329 -6.982 1.00 0.00 C ATOM 830 C PRO A 54 13.175 -6.276 -5.535 1.00 0.00 C ATOM 831 O PRO A 54 12.018 -6.593 -5.251 1.00 0.00 O ATOM 832 CB PRO A 54 14.398 -7.631 -7.289 1.00 0.00 C ATOM 833 CG PRO A 54 15.885 -7.345 -7.157 1.00 0.00 C ATOM 834 CD PRO A 54 16.075 -5.838 -7.355 1.00 0.00 C ATOM 0 HA PRO A 54 12.762 -6.195 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.093 -8.417 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.160 -7.980 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.251 -7.654 -6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.452 -7.905 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.727 -5.411 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.524 -5.612 -8.322 1.00 0.00 H new ATOM 842 N GLU A 55 14.057 -5.837 -4.627 1.00 0.00 N ATOM 843 CA GLU A 55 13.685 -5.710 -3.218 1.00 0.00 C ATOM 844 C GLU A 55 12.931 -4.393 -2.988 1.00 0.00 C ATOM 845 O GLU A 55 12.095 -4.296 -2.087 1.00 0.00 O ATOM 846 CB GLU A 55 14.918 -5.765 -2.303 1.00 0.00 C ATOM 847 CG GLU A 55 15.892 -4.632 -2.645 1.00 0.00 C ATOM 848 CD GLU A 55 16.895 -4.459 -1.509 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.922 -5.117 -1.545 1.00 0.00 O ATOM 850 OE2 GLU A 55 16.622 -3.670 -0.619 1.00 0.00 O ATOM 0 H GLU A 55 15.017 -5.568 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 55 13.038 -6.551 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.609 -5.684 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.417 -6.728 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.415 -4.857 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.344 -3.703 -2.804 1.00 0.00 H new ATOM 857 N GLU A 56 13.234 -3.382 -3.818 1.00 0.00 N ATOM 858 CA GLU A 56 12.581 -2.078 -3.699 1.00 0.00 C ATOM 859 C GLU A 56 11.153 -2.140 -4.233 1.00 0.00 C ATOM 860 O GLU A 56 10.215 -1.701 -3.564 1.00 0.00 O ATOM 861 CB GLU A 56 13.357 -1.010 -4.476 1.00 0.00 C ATOM 862 CG GLU A 56 14.456 -0.424 -3.583 1.00 0.00 C ATOM 863 CD GLU A 56 13.899 0.762 -2.799 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.304 0.531 -1.756 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.073 1.882 -3.252 1.00 0.00 O ATOM 0 H GLU A 56 13.920 -3.445 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 56 12.562 -1.814 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.797 -1.446 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.681 -0.220 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.826 -1.186 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.302 -0.106 -4.192 1.00 0.00 H new ATOM 872 N LEU A 57 10.993 -2.691 -5.443 1.00 0.00 N ATOM 873 CA LEU A 57 9.666 -2.806 -6.050 1.00 0.00 C ATOM 874 C LEU A 57 8.745 -3.653 -5.171 1.00 0.00 C ATOM 875 O LEU A 57 7.567 -3.334 -5.008 1.00 0.00 O ATOM 876 CB LEU A 57 9.753 -3.423 -7.455 1.00 0.00 C ATOM 877 CG LEU A 57 10.105 -4.917 -7.518 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.823 -5.758 -7.497 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.871 -5.201 -8.814 1.00 0.00 C ATOM 0 H LEU A 57 11.755 -3.059 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 57 9.252 -1.801 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.795 -3.275 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.499 -2.871 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 57 10.720 -5.177 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.081 -6.816 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.272 -5.558 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.204 -5.499 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.123 -6.260 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.250 -4.936 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.786 -4.609 -8.833 1.00 0.00 H new ATOM 891 N GLN A 58 9.297 -4.727 -4.595 1.00 0.00 N ATOM 892 CA GLN A 58 8.514 -5.605 -3.723 1.00 0.00 C ATOM 893 C GLN A 58 8.056 -4.852 -2.475 1.00 0.00 C ATOM 894 O GLN A 58 6.957 -5.079 -1.973 1.00 0.00 O ATOM 895 CB GLN A 58 9.331 -6.830 -3.299 1.00 0.00 C ATOM 896 CG GLN A 58 8.937 -8.035 -4.159 1.00 0.00 C ATOM 897 CD GLN A 58 7.558 -8.543 -3.736 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.402 -9.108 -2.654 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.539 -8.373 -4.536 1.00 0.00 N ATOM 0 H GLN A 58 10.271 -5.006 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 58 7.643 -5.937 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.396 -6.625 -3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.156 -7.050 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.924 -7.753 -5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.676 -8.829 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.667 -7.905 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.615 -8.708 -4.263 1.00 0.00 H new ATOM 908 N GLU A 59 8.910 -3.945 -1.985 1.00 0.00 N ATOM 909 CA GLU A 59 8.578 -3.152 -0.798 1.00 0.00 C ATOM 910 C GLU A 59 7.425 -2.187 -1.092 1.00 0.00 C ATOM 911 O GLU A 59 6.605 -1.906 -0.217 1.00 0.00 O ATOM 912 CB GLU A 59 9.792 -2.343 -0.326 1.00 0.00 C ATOM 913 CG GLU A 59 10.541 -3.121 0.761 1.00 0.00 C ATOM 914 CD GLU A 59 9.838 -2.933 2.104 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.132 -1.955 2.773 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.018 -3.770 2.445 1.00 0.00 O ATOM 0 H GLU A 59 9.825 -3.744 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 59 8.278 -3.848 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.457 -2.143 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.469 -1.377 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.578 -4.180 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.572 -2.772 0.827 1.00 0.00 H new ATOM 923 N MET A 60 7.367 -1.687 -2.335 1.00 0.00 N ATOM 924 CA MET A 60 6.303 -0.758 -2.731 1.00 0.00 C ATOM 925 C MET A 60 4.979 -1.500 -2.866 1.00 0.00 C ATOM 926 O MET A 60 3.939 -1.034 -2.393 1.00 0.00 O ATOM 927 CB MET A 60 6.628 -0.084 -4.071 1.00 0.00 C ATOM 928 CG MET A 60 7.995 0.597 -3.994 1.00 0.00 C ATOM 929 SD MET A 60 8.050 1.980 -5.161 1.00 0.00 S ATOM 930 CE MET A 60 9.852 2.133 -5.252 1.00 0.00 C ATOM 0 H MET A 60 8.035 -1.907 -3.073 1.00 0.00 H new ATOM 0 HA MET A 60 6.227 0.005 -1.956 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.626 -0.825 -4.870 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.860 0.650 -4.314 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.178 0.955 -2.981 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.783 -0.119 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.114 2.944 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.249 2.348 -4.260 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.278 1.200 -5.619 1.00 0.00 H new ATOM 940 N ILE A 61 5.035 -2.662 -3.516 1.00 0.00 N ATOM 941 CA ILE A 61 3.838 -3.481 -3.715 1.00 0.00 C ATOM 942 C ILE A 61 3.358 -4.052 -2.383 1.00 0.00 C ATOM 943 O ILE A 61 2.176 -3.990 -2.067 1.00 0.00 O ATOM 944 CB ILE A 61 4.110 -4.637 -4.684 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.615 -4.080 -6.023 1.00 0.00 C ATOM 946 CG2 ILE A 61 2.813 -5.419 -4.912 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.775 -4.935 -6.537 1.00 0.00 C ATOM 0 H ILE A 61 5.889 -3.056 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 61 3.068 -2.838 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 61 4.867 -5.297 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.805 -4.073 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.940 -3.047 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.001 -6.243 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.455 -5.815 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.058 -4.756 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.129 -4.535 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.588 -4.919 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.436 -5.961 -6.679 1.00 0.00 H new ATOM 959 N ASP A 62 4.292 -4.607 -1.609 1.00 0.00 N ATOM 960 CA ASP A 62 3.960 -5.187 -0.304 1.00 0.00 C ATOM 961 C ASP A 62 3.197 -4.181 0.568 1.00 0.00 C ATOM 962 O ASP A 62 2.293 -4.559 1.317 1.00 0.00 O ATOM 963 CB ASP A 62 5.238 -5.615 0.429 1.00 0.00 C ATOM 964 CG ASP A 62 4.873 -6.413 1.678 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.545 -7.579 1.537 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.930 -5.845 2.757 1.00 0.00 O ATOM 0 H ASP A 62 5.279 -4.668 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 62 3.327 -6.057 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.862 -6.219 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.822 -4.737 0.705 1.00 0.00 H new ATOM 971 N GLU A 63 3.572 -2.901 0.460 1.00 0.00 N ATOM 972 CA GLU A 63 2.919 -1.847 1.243 1.00 0.00 C ATOM 973 C GLU A 63 1.486 -1.607 0.760 1.00 0.00 C ATOM 974 O GLU A 63 0.548 -1.589 1.559 1.00 0.00 O ATOM 975 CB GLU A 63 3.705 -0.535 1.138 1.00 0.00 C ATOM 976 CG GLU A 63 4.951 -0.606 2.027 1.00 0.00 C ATOM 977 CD GLU A 63 4.586 -0.221 3.459 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.532 0.965 3.739 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.368 -1.120 4.255 1.00 0.00 O ATOM 0 H GLU A 63 4.316 -2.573 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 63 2.894 -2.179 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.995 -0.356 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.077 0.302 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.367 -1.613 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.720 0.065 1.645 1.00 0.00 H new ATOM 986 N VAL A 64 1.326 -1.416 -0.556 1.00 0.00 N ATOM 987 CA VAL A 64 -0.002 -1.167 -1.135 1.00 0.00 C ATOM 988 C VAL A 64 -0.882 -2.426 -1.080 1.00 0.00 C ATOM 989 O VAL A 64 -2.098 -2.332 -0.902 1.00 0.00 O ATOM 990 CB VAL A 64 0.120 -0.679 -2.590 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.793 -1.745 -3.458 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.273 -0.380 -3.148 1.00 0.00 C ATOM 0 H VAL A 64 2.089 -1.429 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.477 -0.389 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 64 0.728 0.226 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.871 -1.383 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.790 -1.954 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.198 -2.658 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.186 -0.035 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.879 -1.286 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.748 0.394 -2.545 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.258 -3.599 -1.232 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.996 -4.862 -1.194 1.00 0.00 C ATOM 1004 C ASP A 65 -1.436 -5.169 0.237 1.00 0.00 C ATOM 1005 O ASP A 65 -0.616 -5.500 1.097 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.130 -6.020 -1.712 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.933 -6.881 -2.687 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.989 -7.357 -2.304 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.472 -7.055 -3.803 1.00 0.00 O ATOM 0 H ASP A 65 0.746 -3.698 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.871 -4.759 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.758 -5.627 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.215 -6.629 -0.876 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.742 -5.052 0.477 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.299 -5.317 1.808 1.00 0.00 C ATOM 1016 C GLU A 66 -3.329 -6.819 2.081 1.00 0.00 C ATOM 1017 O GLU A 66 -3.023 -7.271 3.186 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.726 -4.766 1.920 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.757 -3.307 1.458 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.198 -2.804 1.449 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.649 -2.338 2.484 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.829 -2.893 0.408 1.00 0.00 O ATOM 0 H GLU A 66 -3.430 -4.778 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.662 -4.821 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.405 -5.364 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.073 -4.838 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.150 -2.692 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.325 -3.221 0.461 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.708 -7.582 1.054 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.788 -9.041 1.171 1.00 0.00 C ATOM 1031 C ASP A 67 -2.422 -9.693 0.929 1.00 0.00 C ATOM 1032 O ASP A 67 -2.069 -10.671 1.592 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.812 -9.618 0.177 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.618 -9.003 -1.212 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.119 -7.911 -1.434 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.975 -9.631 -2.031 1.00 0.00 O ATOM 0 H ASP A 67 -3.963 -7.217 0.136 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.111 -9.266 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.702 -10.701 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.823 -9.419 0.531 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.664 -9.151 -0.030 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.345 -9.698 -0.356 1.00 0.00 C ATOM 1043 C GLY A 68 -0.493 -11.035 -1.075 1.00 0.00 C ATOM 1044 O GLY A 68 0.123 -12.033 -0.695 1.00 0.00 O ATOM 0 H GLY A 68 -1.938 -8.343 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.202 -8.997 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.238 -9.829 0.556 1.00 0.00 H new ATOM 1048 N SER A 69 -1.336 -11.040 -2.110 1.00 0.00 N ATOM 1049 CA SER A 69 -1.598 -12.259 -2.886 1.00 0.00 C ATOM 1050 C SER A 69 -0.584 -12.465 -4.024 1.00 0.00 C ATOM 1051 O SER A 69 -0.787 -13.321 -4.887 1.00 0.00 O ATOM 1052 CB SER A 69 -3.004 -12.199 -3.492 1.00 0.00 C ATOM 1053 OG SER A 69 -3.125 -11.025 -4.294 1.00 0.00 O ATOM 0 H SER A 69 -1.848 -10.218 -2.431 1.00 0.00 H new ATOM 0 HA SER A 69 -1.507 -13.097 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.189 -13.087 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.753 -12.191 -2.700 1.00 0.00 H new ATOM 0 HG SER A 69 -3.437 -10.280 -3.739 1.00 0.00 H new ATOM 1059 N GLY A 70 0.502 -11.680 -4.034 1.00 0.00 N ATOM 1060 CA GLY A 70 1.507 -11.808 -5.092 1.00 0.00 C ATOM 1061 C GLY A 70 0.957 -11.295 -6.427 1.00 0.00 C ATOM 1062 O GLY A 70 1.387 -11.732 -7.497 1.00 0.00 O ATOM 0 H GLY A 70 0.703 -10.964 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.401 -11.246 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.805 -12.852 -5.193 1.00 0.00 H new ATOM 1066 N THR A 71 0.000 -10.361 -6.345 1.00 0.00 N ATOM 1067 CA THR A 71 -0.624 -9.778 -7.538 1.00 0.00 C ATOM 1068 C THR A 71 -1.128 -8.369 -7.222 1.00 0.00 C ATOM 1069 O THR A 71 -1.688 -8.126 -6.150 1.00 0.00 O ATOM 1070 CB THR A 71 -1.815 -10.632 -8.018 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.910 -10.489 -7.117 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.412 -12.108 -8.095 1.00 0.00 C ATOM 0 H THR A 71 -0.358 -9.993 -5.464 1.00 0.00 H new ATOM 0 HA THR A 71 0.128 -9.745 -8.326 1.00 0.00 H new ATOM 0 HB THR A 71 -2.111 -10.289 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.638 -10.782 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.262 -12.700 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.586 -12.223 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.102 -12.452 -7.109 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.931 -7.444 -8.163 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.379 -6.067 -7.958 1.00 0.00 C ATOM 1082 C VAL A 72 -2.750 -5.845 -8.586 1.00 0.00 C ATOM 1083 O VAL A 72 -2.935 -6.020 -9.792 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.397 -5.059 -8.566 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.744 -3.650 -8.075 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.034 -5.402 -8.144 1.00 0.00 C ATOM 0 H VAL A 72 -0.473 -7.618 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.433 -5.910 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.471 -5.101 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.046 -2.932 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.759 -3.398 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.673 -3.616 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.725 -4.681 -8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.111 -5.367 -7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.286 -6.403 -8.493 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.698 -5.428 -7.752 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.054 -5.141 -8.217 1.00 0.00 C ATOM 1098 C ASP A 73 -5.087 -3.725 -8.785 1.00 0.00 C ATOM 1099 O ASP A 73 -4.173 -2.940 -8.540 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.055 -5.237 -7.055 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.091 -6.664 -6.506 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.146 -7.049 -5.835 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.068 -7.347 -6.758 1.00 0.00 O ATOM 0 H ASP A 73 -3.554 -5.281 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.331 -5.868 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.773 -4.542 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.048 -4.945 -7.396 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.137 -3.392 -9.539 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.237 -2.048 -10.112 1.00 0.00 C ATOM 1110 C PHE A 74 -6.246 -0.992 -9.002 1.00 0.00 C ATOM 1111 O PHE A 74 -5.696 0.098 -9.169 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.495 -1.900 -10.970 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.388 -0.653 -11.811 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.220 -0.400 -12.539 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.456 0.246 -11.865 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.121 0.754 -13.320 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.357 1.402 -12.645 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.190 1.656 -13.373 1.00 0.00 C ATOM 0 H PHE A 74 -6.912 -4.016 -9.763 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.365 -1.897 -10.749 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.616 -2.774 -11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.378 -1.847 -10.333 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.396 -1.096 -12.497 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.358 0.048 -11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.220 0.950 -13.883 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.181 2.099 -12.685 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.114 2.549 -13.976 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.851 -1.338 -7.858 1.00 0.00 N ATOM 1129 CA ASP A 75 -6.892 -0.420 -6.718 1.00 0.00 C ATOM 1130 C ASP A 75 -5.479 -0.238 -6.159 1.00 0.00 C ATOM 1131 O ASP A 75 -5.053 0.881 -5.873 1.00 0.00 O ATOM 1132 CB ASP A 75 -7.806 -0.961 -5.611 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.140 0.161 -4.630 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.082 0.891 -4.893 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -7.447 0.275 -3.632 1.00 0.00 O ATOM 0 H ASP A 75 -7.312 -2.234 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.287 0.536 -7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.721 -1.363 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.314 -1.781 -5.088 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.755 -1.357 -6.032 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.376 -1.327 -5.533 1.00 0.00 C ATOM 1142 C GLU A 76 -2.453 -0.673 -6.570 1.00 0.00 C ATOM 1143 O GLU A 76 -1.418 -0.099 -6.228 1.00 0.00 O ATOM 1144 CB GLU A 76 -2.878 -2.752 -5.246 1.00 0.00 C ATOM 1145 CG GLU A 76 -3.834 -3.451 -4.264 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.518 -4.952 -4.159 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.676 -5.433 -4.900 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.136 -5.603 -3.333 1.00 0.00 O ATOM 0 H GLU A 76 -5.099 -2.288 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.360 -0.747 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.817 -3.320 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.872 -2.718 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.752 -2.989 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.864 -3.315 -4.595 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.854 -0.770 -7.843 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.087 -0.197 -8.949 1.00 0.00 C ATOM 1157 C PHE A 77 -2.129 1.331 -8.894 1.00 0.00 C ATOM 1158 O PHE A 77 -1.091 1.995 -8.913 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.694 -0.666 -10.281 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.637 -0.898 -11.339 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.295 -1.141 -11.000 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.024 -0.881 -12.681 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.648 -1.362 -12.010 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.081 -1.105 -13.685 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.253 -1.344 -13.352 1.00 0.00 C ATOM 0 H PHE A 77 -3.710 -1.243 -8.131 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.052 -0.527 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.253 -1.588 -10.119 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.405 0.079 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.008 -1.157 -9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.055 -0.694 -12.942 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.681 -1.546 -11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.384 -1.093 -14.722 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.981 -1.515 -14.131 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.349 1.875 -8.831 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.543 3.327 -8.778 1.00 0.00 C ATOM 1177 C LEU A 78 -3.067 3.898 -7.438 1.00 0.00 C ATOM 1178 O LEU A 78 -2.599 5.037 -7.373 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.023 3.678 -8.978 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.473 3.849 -10.437 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.873 2.740 -11.306 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.001 3.777 -10.505 1.00 0.00 C ATOM 0 H LEU A 78 -4.213 1.334 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.952 3.768 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.629 2.897 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.235 4.602 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.130 4.815 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.198 2.870 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.785 2.790 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.208 1.770 -10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.325 3.898 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.337 2.810 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.430 4.572 -9.895 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.182 3.094 -6.374 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.751 3.525 -5.041 1.00 0.00 C ATOM 1196 C VAL A 79 -1.244 3.796 -5.047 1.00 0.00 C ATOM 1197 O VAL A 79 -0.792 4.844 -4.594 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.089 2.451 -3.991 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.107 2.529 -2.819 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.512 2.674 -3.472 1.00 0.00 C ATOM 0 H VAL A 79 -3.566 2.150 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.280 4.442 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.014 1.468 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.357 1.764 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.093 2.365 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.171 3.513 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.751 1.914 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.583 3.662 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.217 2.606 -4.301 1.00 0.00 H new ATOM 1210 N MET A 80 -0.479 2.828 -5.564 1.00 0.00 N ATOM 1211 CA MET A 80 0.983 2.950 -5.640 1.00 0.00 C ATOM 1212 C MET A 80 1.412 4.342 -6.135 1.00 0.00 C ATOM 1213 O MET A 80 2.449 4.861 -5.716 1.00 0.00 O ATOM 1214 CB MET A 80 1.553 1.889 -6.587 1.00 0.00 C ATOM 1215 CG MET A 80 2.692 1.142 -5.892 1.00 0.00 C ATOM 1216 SD MET A 80 2.935 -0.469 -6.683 1.00 0.00 S ATOM 1217 CE MET A 80 3.904 0.111 -8.097 1.00 0.00 C ATOM 0 H MET A 80 -0.846 1.952 -5.936 1.00 0.00 H new ATOM 0 HA MET A 80 1.373 2.803 -4.633 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.770 1.189 -6.879 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.917 2.360 -7.500 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.610 1.727 -5.946 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.461 1.008 -4.835 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.297 0.057 -9.001 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.212 1.143 -7.928 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.787 -0.517 -8.215 1.00 0.00 H new ATOM 1227 N MET A 81 0.603 4.943 -7.022 1.00 0.00 N ATOM 1228 CA MET A 81 0.916 6.275 -7.552 1.00 0.00 C ATOM 1229 C MET A 81 0.814 7.329 -6.446 1.00 0.00 C ATOM 1230 O MET A 81 1.785 8.032 -6.159 1.00 0.00 O ATOM 1231 CB MET A 81 -0.040 6.641 -8.695 1.00 0.00 C ATOM 1232 CG MET A 81 0.269 8.053 -9.214 1.00 0.00 C ATOM 1233 SD MET A 81 2.042 8.214 -9.557 1.00 0.00 S ATOM 1234 CE MET A 81 2.111 7.080 -10.965 1.00 0.00 C ATOM 0 H MET A 81 -0.259 4.534 -7.381 1.00 0.00 H new ATOM 0 HA MET A 81 1.936 6.253 -7.935 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.057 5.919 -9.505 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.071 6.592 -8.346 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.304 8.250 -10.120 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.036 8.795 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.967 7.330 -11.592 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.213 6.057 -10.603 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.195 7.169 -11.549 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.368 7.427 -5.826 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.580 8.399 -4.745 1.00 0.00 C ATOM 1246 C VAL A 82 0.349 8.107 -3.561 1.00 0.00 C ATOM 1247 O VAL A 82 0.748 9.018 -2.837 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.035 8.382 -4.253 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.964 8.833 -5.382 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.425 6.969 -3.811 1.00 0.00 C ATOM 0 H VAL A 82 -1.182 6.854 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.355 9.385 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.129 9.061 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.996 8.820 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.698 9.844 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.861 8.156 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.458 6.968 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.324 6.284 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.770 6.647 -3.001 1.00 0.00 H new ATOM 1260 N ARG A 83 0.693 6.824 -3.384 1.00 0.00 N ATOM 1261 CA ARG A 83 1.586 6.409 -2.297 1.00 0.00 C ATOM 1262 C ARG A 83 2.910 7.169 -2.377 1.00 0.00 C ATOM 1263 O ARG A 83 3.478 7.557 -1.353 1.00 0.00 O ATOM 1264 CB ARG A 83 1.871 4.906 -2.379 1.00 0.00 C ATOM 1265 CG ARG A 83 0.686 4.124 -1.802 1.00 0.00 C ATOM 1266 CD ARG A 83 1.106 3.434 -0.501 1.00 0.00 C ATOM 1267 NE ARG A 83 1.495 4.420 0.514 1.00 0.00 N ATOM 1268 CZ ARG A 83 2.202 4.077 1.600 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.552 2.828 1.806 1.00 0.00 N ATOM 1270 NH2 ARG A 83 2.542 4.997 2.466 1.00 0.00 N ATOM 0 H ARG A 83 0.368 6.060 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 83 1.091 6.633 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.042 4.614 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.780 4.668 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.150 4.798 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.342 3.383 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.283 2.825 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.939 2.759 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 83 1.220 5.394 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.286 2.107 1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.090 2.579 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.269 5.968 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.080 4.743 3.295 1.00 0.00 H new