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 16 GLN :FLIP amide:sc= -0.36 F(o=-2.9,f=-1.8) USER MOD Set 1.2: A 81 MET CE :methyl 138:sc= -1.47 (180deg=-3.07!) USER MOD Set 2.1: A 69 SER OG : rot 99:sc= 0.283 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.243 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= -0.0293 K(o=-0.029,f=-0.95) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 0:sc= 0.118 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.236 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -161:sc= -0.199 (180deg=-0.923) USER MOD Single : A 47 MET CE :methyl 135:sc= -0.123 (180deg=-0.867) USER MOD Single : A 50 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.42) USER MOD Single : A 51 ASN : amide:sc= -0.728 K(o=-0.73,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.495 USER MOD Single : A 58 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.069) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 149:sc= -0.128 (180deg=-0.918) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.070 7.981 0.317 1.00 0.00 N ATOM 66 CA TYR A 5 -4.857 7.247 -0.936 1.00 0.00 C ATOM 67 C TYR A 5 -6.194 7.038 -1.649 1.00 0.00 C ATOM 68 O TYR A 5 -6.278 7.117 -2.876 1.00 0.00 O ATOM 69 CB TYR A 5 -4.217 5.874 -0.674 1.00 0.00 C ATOM 70 CG TYR A 5 -2.977 6.033 0.178 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.799 6.548 -0.380 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.008 5.665 1.528 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.657 6.695 0.412 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.865 5.812 2.320 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.689 6.327 1.763 1.00 0.00 C ATOM 76 OH TYR A 5 0.437 6.470 2.545 1.00 0.00 O ATOM 0 HA TYR A 5 -4.185 7.838 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.931 5.221 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.959 5.398 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.774 6.831 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.915 5.267 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.251 7.093 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.890 5.528 3.362 1.00 0.00 H new ATOM 0 HH TYR A 5 0.242 6.169 3.457 1.00 0.00 H new ATOM 86 N LYS A 6 -7.240 6.778 -0.853 1.00 0.00 N ATOM 87 CA LYS A 6 -8.584 6.563 -1.396 1.00 0.00 C ATOM 88 C LYS A 6 -9.223 7.889 -1.820 1.00 0.00 C ATOM 89 O LYS A 6 -10.045 7.926 -2.737 1.00 0.00 O ATOM 90 CB LYS A 6 -9.483 5.890 -0.354 1.00 0.00 C ATOM 91 CG LYS A 6 -9.387 4.369 -0.502 1.00 0.00 C ATOM 92 CD LYS A 6 -9.841 3.695 0.795 1.00 0.00 C ATOM 93 CE LYS A 6 -8.619 3.359 1.655 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.107 2.004 1.292 1.00 0.00 N ATOM 0 H LYS A 6 -7.180 6.712 0.163 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.486 5.917 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.180 6.188 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.515 6.214 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.008 4.035 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.362 4.080 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.514 4.355 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.400 2.787 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.839 4.106 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.887 3.387 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.277 1.778 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.851 1.296 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.836 1.993 0.288 1.00 0.00 H new ATOM 108 N ALA A 7 -8.837 8.978 -1.144 1.00 0.00 N ATOM 109 CA ALA A 7 -9.375 10.303 -1.462 1.00 0.00 C ATOM 110 C ALA A 7 -8.974 10.738 -2.877 1.00 0.00 C ATOM 111 O ALA A 7 -9.691 11.500 -3.524 1.00 0.00 O ATOM 112 CB ALA A 7 -8.864 11.341 -0.460 1.00 0.00 C ATOM 0 H ALA A 7 -8.161 8.967 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.462 10.238 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.273 12.320 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.179 11.062 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.776 11.381 -0.501 1.00 0.00 H new ATOM 118 N ALA A 8 -7.821 10.248 -3.348 1.00 0.00 N ATOM 119 CA ALA A 8 -7.338 10.596 -4.687 1.00 0.00 C ATOM 120 C ALA A 8 -7.987 9.715 -5.755 1.00 0.00 C ATOM 121 O ALA A 8 -8.392 10.208 -6.808 1.00 0.00 O ATOM 122 CB ALA A 8 -5.820 10.433 -4.765 1.00 0.00 C ATOM 0 H ALA A 8 -7.212 9.616 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.608 11.636 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.477 10.695 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.346 11.089 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.554 9.398 -4.550 1.00 0.00 H new ATOM 128 N VAL A 9 -8.080 8.409 -5.479 1.00 0.00 N ATOM 129 CA VAL A 9 -8.683 7.472 -6.436 1.00 0.00 C ATOM 130 C VAL A 9 -10.181 7.765 -6.631 1.00 0.00 C ATOM 131 O VAL A 9 -10.756 7.426 -7.668 1.00 0.00 O ATOM 132 CB VAL A 9 -8.490 6.015 -5.978 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.347 5.725 -4.742 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.891 5.065 -7.111 1.00 0.00 C ATOM 0 H VAL A 9 -7.751 7.981 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.175 7.609 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.441 5.863 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.199 4.691 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.055 6.393 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.398 5.885 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.754 4.033 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.937 5.228 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.267 5.256 -7.984 1.00 0.00 H new ATOM 144 N GLU A 10 -10.805 8.403 -5.634 1.00 0.00 N ATOM 145 CA GLU A 10 -12.224 8.739 -5.725 1.00 0.00 C ATOM 146 C GLU A 10 -12.446 10.025 -6.536 1.00 0.00 C ATOM 147 O GLU A 10 -13.557 10.284 -7.002 1.00 0.00 O ATOM 148 CB GLU A 10 -12.827 8.906 -4.323 1.00 0.00 C ATOM 149 CG GLU A 10 -12.236 10.142 -3.634 1.00 0.00 C ATOM 150 CD GLU A 10 -13.339 10.903 -2.906 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.579 10.596 -1.750 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.924 11.785 -3.514 1.00 0.00 O ATOM 0 H GLU A 10 -10.354 8.693 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.722 7.917 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.910 9.004 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.626 8.017 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.462 9.841 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.761 10.789 -4.372 1.00 0.00 H new ATOM 159 N GLN A 11 -11.384 10.831 -6.702 1.00 0.00 N ATOM 160 CA GLN A 11 -11.499 12.082 -7.460 1.00 0.00 C ATOM 161 C GLN A 11 -10.369 12.219 -8.494 1.00 0.00 C ATOM 162 O GLN A 11 -9.955 13.330 -8.837 1.00 0.00 O ATOM 163 CB GLN A 11 -11.477 13.288 -6.507 1.00 0.00 C ATOM 164 CG GLN A 11 -10.088 13.439 -5.870 1.00 0.00 C ATOM 165 CD GLN A 11 -10.175 14.332 -4.631 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.165 15.037 -4.426 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.182 14.348 -3.781 1.00 0.00 N ATOM 0 H GLN A 11 -10.454 10.642 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.449 12.058 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.735 14.196 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.229 13.159 -5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.696 12.460 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.393 13.870 -6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.360 13.767 -3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.229 14.942 -2.953 1.00 0.00 H new ATOM 176 N LEU A 12 -9.882 11.078 -8.997 1.00 0.00 N ATOM 177 CA LEU A 12 -8.805 11.088 -9.998 1.00 0.00 C ATOM 178 C LEU A 12 -9.359 11.407 -11.390 1.00 0.00 C ATOM 179 O LEU A 12 -10.571 11.531 -11.578 1.00 0.00 O ATOM 180 CB LEU A 12 -8.071 9.737 -10.051 1.00 0.00 C ATOM 181 CG LEU A 12 -8.928 8.486 -9.815 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.140 8.491 -10.750 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.085 7.235 -10.082 1.00 0.00 C ATOM 0 H LEU A 12 -10.210 10.149 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.099 11.862 -9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.594 9.645 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.275 9.751 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.277 8.484 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.740 7.598 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.744 9.378 -10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.800 8.500 -11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.692 6.345 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.734 7.246 -11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.229 7.222 -9.407 1.00 0.00 H new ATOM 195 N THR A 13 -8.453 11.536 -12.365 1.00 0.00 N ATOM 196 CA THR A 13 -8.857 11.838 -13.739 1.00 0.00 C ATOM 197 C THR A 13 -8.971 10.557 -14.558 1.00 0.00 C ATOM 198 O THR A 13 -8.487 9.495 -14.157 1.00 0.00 O ATOM 199 CB THR A 13 -7.839 12.763 -14.428 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.586 12.691 -13.761 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.352 14.202 -14.409 1.00 0.00 C ATOM 0 H THR A 13 -7.447 11.437 -12.230 1.00 0.00 H new ATOM 0 HA THR A 13 -9.825 12.337 -13.687 1.00 0.00 H new ATOM 0 HB THR A 13 -7.710 12.441 -15.461 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.944 13.282 -14.207 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.627 14.853 -14.898 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.304 14.256 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.492 14.525 -13.377 1.00 0.00 H new ATOM 209 N ASP A 14 -9.599 10.680 -15.728 1.00 0.00 N ATOM 210 CA ASP A 14 -9.757 9.537 -16.628 1.00 0.00 C ATOM 211 C ASP A 14 -8.399 9.144 -17.208 1.00 0.00 C ATOM 212 O ASP A 14 -8.133 7.967 -17.453 1.00 0.00 O ATOM 213 CB ASP A 14 -10.710 9.878 -17.776 1.00 0.00 C ATOM 214 CG ASP A 14 -12.151 9.644 -17.331 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.561 8.494 -17.292 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.826 10.618 -17.037 1.00 0.00 O ATOM 0 H ASP A 14 -10.003 11.551 -16.072 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.173 8.707 -16.056 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.576 10.917 -18.077 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.483 9.262 -18.646 1.00 0.00 H new ATOM 221 N GLU A 15 -7.535 10.149 -17.405 1.00 0.00 N ATOM 222 CA GLU A 15 -6.193 9.905 -17.939 1.00 0.00 C ATOM 223 C GLU A 15 -5.351 9.125 -16.926 1.00 0.00 C ATOM 224 O GLU A 15 -4.497 8.326 -17.305 1.00 0.00 O ATOM 225 CB GLU A 15 -5.489 11.228 -18.262 1.00 0.00 C ATOM 226 CG GLU A 15 -6.032 11.790 -19.580 1.00 0.00 C ATOM 227 CD GLU A 15 -6.320 13.281 -19.421 1.00 0.00 C ATOM 228 OE1 GLU A 15 -7.314 13.609 -18.792 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.543 14.071 -19.932 1.00 0.00 O ATOM 0 H GLU A 15 -7.740 11.128 -17.204 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.297 9.322 -18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.650 11.944 -17.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.413 11.070 -18.338 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.308 11.632 -20.380 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.942 11.262 -19.865 1.00 0.00 H new ATOM 236 N GLN A 16 -5.617 9.359 -15.633 1.00 0.00 N ATOM 237 CA GLN A 16 -4.893 8.662 -14.567 1.00 0.00 C ATOM 238 C GLN A 16 -5.290 7.189 -14.547 1.00 0.00 C ATOM 239 O GLN A 16 -4.436 6.303 -14.474 1.00 0.00 O ATOM 240 CB GLN A 16 -5.214 9.281 -13.203 1.00 0.00 C ATOM 241 CG GLN A 16 -3.979 10.004 -12.665 1.00 0.00 C ATOM 242 CD GLN A 16 -4.406 11.056 -11.645 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.148 10.704 -10.629 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -4.058 12.230 -11.773 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.322 10.019 -15.305 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.825 8.757 -14.762 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.045 9.980 -13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.527 8.505 -12.505 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.299 9.289 -12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.436 10.476 -13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.479 12.507 -12.566 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.349 12.926 -11.086 1.00 0.00 H new ATOM 253 N LYS A 17 -6.602 6.942 -14.625 1.00 0.00 N ATOM 254 CA LYS A 17 -7.121 5.575 -14.630 1.00 0.00 C ATOM 255 C LYS A 17 -6.636 4.837 -15.877 1.00 0.00 C ATOM 256 O LYS A 17 -6.185 3.697 -15.799 1.00 0.00 O ATOM 257 CB LYS A 17 -8.653 5.573 -14.623 1.00 0.00 C ATOM 258 CG LYS A 17 -9.169 6.212 -13.330 1.00 0.00 C ATOM 259 CD LYS A 17 -10.584 6.752 -13.557 1.00 0.00 C ATOM 260 CE LYS A 17 -11.611 5.661 -13.236 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.619 5.586 -14.333 1.00 0.00 N ATOM 0 H LYS A 17 -7.317 7.667 -14.685 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.757 5.075 -13.733 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.030 6.122 -15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.024 4.552 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.173 5.477 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.505 7.019 -13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.756 7.624 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.697 7.079 -14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.111 4.699 -13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.105 5.879 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.316 4.845 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.104 6.502 -14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.141 5.359 -15.228 1.00 0.00 H new ATOM 275 N ASN A 18 -6.731 5.510 -17.029 1.00 0.00 N ATOM 276 CA ASN A 18 -6.297 4.914 -18.298 1.00 0.00 C ATOM 277 C ASN A 18 -4.788 4.663 -18.298 1.00 0.00 C ATOM 278 O ASN A 18 -4.314 3.693 -18.894 1.00 0.00 O ATOM 279 CB ASN A 18 -6.649 5.832 -19.476 1.00 0.00 C ATOM 280 CG ASN A 18 -8.151 5.770 -19.761 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.958 5.546 -18.856 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.581 5.962 -20.978 1.00 0.00 N ATOM 0 H ASN A 18 -7.100 6.457 -17.110 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.819 3.963 -18.408 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.356 6.857 -19.248 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.090 5.530 -20.362 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.581 5.926 -21.177 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.917 6.148 -21.730 1.00 0.00 H new ATOM 289 N GLU A 19 -4.041 5.543 -17.621 1.00 0.00 N ATOM 290 CA GLU A 19 -2.584 5.409 -17.542 1.00 0.00 C ATOM 291 C GLU A 19 -2.200 4.031 -16.998 1.00 0.00 C ATOM 292 O GLU A 19 -1.358 3.338 -17.572 1.00 0.00 O ATOM 293 CB GLU A 19 -1.995 6.489 -16.625 1.00 0.00 C ATOM 294 CG GLU A 19 -0.469 6.483 -16.732 1.00 0.00 C ATOM 295 CD GLU A 19 -0.025 7.476 -17.804 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.061 7.077 -18.954 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.222 8.620 -17.458 1.00 0.00 O ATOM 0 H GLU A 19 -4.419 6.349 -17.124 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.182 5.527 -18.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.385 7.468 -16.904 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.297 6.308 -15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.026 6.747 -15.772 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.116 5.482 -16.981 1.00 0.00 H new ATOM 304 N PHE A 20 -2.829 3.646 -15.885 1.00 0.00 N ATOM 305 CA PHE A 20 -2.550 2.350 -15.266 1.00 0.00 C ATOM 306 C PHE A 20 -3.364 1.235 -15.924 1.00 0.00 C ATOM 307 O PHE A 20 -2.840 0.162 -16.198 1.00 0.00 O ATOM 308 CB PHE A 20 -2.895 2.384 -13.776 1.00 0.00 C ATOM 309 CG PHE A 20 -1.770 3.020 -12.995 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.722 2.230 -12.506 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.780 4.399 -12.750 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.314 2.814 -11.773 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.744 4.986 -12.016 1.00 0.00 C ATOM 314 CZ PHE A 20 0.304 4.194 -11.526 1.00 0.00 C ATOM 0 H PHE A 20 -3.528 4.207 -15.399 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.487 2.149 -15.401 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.817 2.944 -13.621 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.073 1.372 -13.413 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.715 1.167 -12.696 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.587 5.009 -13.128 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.122 2.203 -11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.751 6.049 -11.827 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.103 4.647 -10.958 1.00 0.00 H new ATOM 324 N LYS A 21 -4.657 1.496 -16.159 1.00 0.00 N ATOM 325 CA LYS A 21 -5.544 0.493 -16.767 1.00 0.00 C ATOM 326 C LYS A 21 -4.971 -0.046 -18.083 1.00 0.00 C ATOM 327 O LYS A 21 -5.152 -1.221 -18.406 1.00 0.00 O ATOM 328 CB LYS A 21 -6.935 1.086 -17.016 1.00 0.00 C ATOM 329 CG LYS A 21 -7.941 -0.035 -17.300 1.00 0.00 C ATOM 330 CD LYS A 21 -8.204 -0.834 -16.019 1.00 0.00 C ATOM 331 CE LYS A 21 -9.240 -1.927 -16.300 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.552 -3.160 -16.784 1.00 0.00 N ATOM 0 H LYS A 21 -5.109 2.384 -15.940 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.624 -0.337 -16.065 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.255 1.661 -16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.899 1.776 -17.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.874 0.387 -17.674 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.555 -0.694 -18.078 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.277 -1.281 -15.660 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.564 -0.171 -15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.806 -2.146 -15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.955 -1.581 -17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.258 -3.900 -16.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.031 -2.946 -17.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.887 -3.494 -16.058 1.00 0.00 H new ATOM 346 N ALA A 22 -4.267 0.814 -18.830 1.00 0.00 N ATOM 347 CA ALA A 22 -3.660 0.396 -20.098 1.00 0.00 C ATOM 348 C ALA A 22 -2.655 -0.726 -19.844 1.00 0.00 C ATOM 349 O ALA A 22 -2.749 -1.809 -20.425 1.00 0.00 O ATOM 350 CB ALA A 22 -2.937 1.569 -20.764 1.00 0.00 C ATOM 0 H ALA A 22 -4.106 1.790 -18.582 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.453 0.045 -20.758 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.494 1.237 -21.703 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.649 2.370 -20.962 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.152 1.936 -20.102 1.00 0.00 H new ATOM 356 N ALA A 23 -1.707 -0.455 -18.941 1.00 0.00 N ATOM 357 CA ALA A 23 -0.694 -1.441 -18.571 1.00 0.00 C ATOM 358 C ALA A 23 -1.364 -2.620 -17.872 1.00 0.00 C ATOM 359 O ALA A 23 -0.999 -3.774 -18.075 1.00 0.00 O ATOM 360 CB ALA A 23 0.339 -0.824 -17.622 1.00 0.00 C ATOM 0 H ALA A 23 -1.622 0.438 -18.455 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.190 -1.776 -19.478 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.085 -1.574 -17.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.828 0.017 -18.114 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.160 -0.475 -16.718 1.00 0.00 H new ATOM 366 N PHE A 24 -2.366 -2.305 -17.050 1.00 0.00 N ATOM 367 CA PHE A 24 -3.110 -3.327 -16.321 1.00 0.00 C ATOM 368 C PHE A 24 -3.668 -4.375 -17.283 1.00 0.00 C ATOM 369 O PHE A 24 -3.545 -5.572 -17.044 1.00 0.00 O ATOM 370 CB PHE A 24 -4.273 -2.690 -15.551 1.00 0.00 C ATOM 371 CG PHE A 24 -4.733 -3.621 -14.456 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.587 -4.690 -14.755 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.306 -3.414 -13.142 1.00 0.00 C ATOM 374 CE1 PHE A 24 -6.011 -5.549 -13.737 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.729 -4.272 -12.126 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.582 -5.339 -12.422 1.00 0.00 C ATOM 0 H PHE A 24 -2.679 -1.350 -16.874 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.425 -3.807 -15.622 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.959 -1.738 -15.123 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.098 -2.478 -16.231 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.917 -4.850 -15.771 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.648 -2.589 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.669 -6.374 -13.965 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.397 -4.112 -11.111 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.910 -6.002 -11.635 1.00 0.00 H new ATOM 386 N ASP A 25 -4.286 -3.901 -18.369 1.00 0.00 N ATOM 387 CA ASP A 25 -4.881 -4.799 -19.367 1.00 0.00 C ATOM 388 C ASP A 25 -3.841 -5.744 -19.982 1.00 0.00 C ATOM 389 O ASP A 25 -4.101 -6.938 -20.141 1.00 0.00 O ATOM 390 CB ASP A 25 -5.539 -3.990 -20.491 1.00 0.00 C ATOM 391 CG ASP A 25 -6.499 -4.884 -21.273 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.648 -4.981 -20.874 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.069 -5.460 -22.260 1.00 0.00 O ATOM 0 H ASP A 25 -4.388 -2.908 -18.580 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.629 -5.397 -18.847 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.077 -3.139 -20.073 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.776 -3.588 -21.158 1.00 0.00 H new ATOM 398 N ILE A 26 -2.676 -5.200 -20.343 1.00 0.00 N ATOM 399 CA ILE A 26 -1.620 -6.016 -20.961 1.00 0.00 C ATOM 400 C ILE A 26 -0.950 -6.939 -19.936 1.00 0.00 C ATOM 401 O ILE A 26 -0.628 -8.087 -20.249 1.00 0.00 O ATOM 402 CB ILE A 26 -0.554 -5.133 -21.640 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.011 -4.117 -20.636 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.191 -4.388 -22.816 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.146 -3.315 -21.279 1.00 0.00 C ATOM 0 H ILE A 26 -2.439 -4.215 -20.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.101 -6.632 -21.721 1.00 0.00 H new ATOM 0 HB ILE A 26 0.259 -5.765 -21.998 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.779 -3.443 -20.306 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.378 -4.635 -19.750 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.441 -3.762 -23.299 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.581 -5.109 -23.535 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.006 -3.762 -22.452 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.539 -2.598 -20.558 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.942 -3.993 -21.587 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.766 -2.782 -22.151 1.00 0.00 H new ATOM 417 N PHE A 27 -0.740 -6.435 -18.715 1.00 0.00 N ATOM 418 CA PHE A 27 -0.103 -7.237 -17.665 1.00 0.00 C ATOM 419 C PHE A 27 -1.028 -8.362 -17.180 1.00 0.00 C ATOM 420 O PHE A 27 -0.557 -9.443 -16.822 1.00 0.00 O ATOM 421 CB PHE A 27 0.311 -6.355 -16.477 1.00 0.00 C ATOM 422 CG PHE A 27 1.542 -5.557 -16.857 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.720 -6.218 -17.231 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.500 -4.158 -16.853 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.850 -5.480 -17.601 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.632 -3.421 -17.221 1.00 0.00 C ATOM 427 CZ PHE A 27 3.806 -4.082 -17.597 1.00 0.00 C ATOM 0 H PHE A 27 -0.997 -5.489 -18.432 1.00 0.00 H new ATOM 0 HA PHE A 27 0.789 -7.688 -18.099 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.503 -5.683 -16.206 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.519 -6.974 -15.604 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.756 -7.297 -17.234 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.593 -3.646 -16.566 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.757 -5.990 -17.890 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.599 -2.342 -17.215 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.678 -3.513 -17.884 1.00 0.00 H new ATOM 437 N ILE A 28 -2.348 -8.114 -17.185 1.00 0.00 N ATOM 438 CA ILE A 28 -3.310 -9.143 -16.756 1.00 0.00 C ATOM 439 C ILE A 28 -3.909 -9.889 -17.959 1.00 0.00 C ATOM 440 O ILE A 28 -4.834 -10.689 -17.801 1.00 0.00 O ATOM 441 CB ILE A 28 -4.459 -8.539 -15.925 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.349 -7.654 -16.810 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.889 -7.704 -14.778 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.545 -8.463 -17.317 1.00 0.00 C ATOM 0 H ILE A 28 -2.767 -7.230 -17.474 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.752 -9.844 -16.136 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.059 -9.353 -15.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.697 -6.790 -16.243 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.774 -7.272 -17.653 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.707 -7.280 -14.195 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.276 -8.337 -14.137 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.277 -6.898 -15.184 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.173 -7.830 -17.944 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.189 -9.312 -17.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.126 -8.824 -16.468 1.00 0.00 H new ATOM 456 N GLN A 29 -3.374 -9.626 -19.161 1.00 0.00 N ATOM 457 CA GLN A 29 -3.865 -10.280 -20.379 1.00 0.00 C ATOM 458 C GLN A 29 -3.864 -11.807 -20.225 1.00 0.00 C ATOM 459 O GLN A 29 -4.779 -12.489 -20.690 1.00 0.00 O ATOM 460 CB GLN A 29 -2.984 -9.893 -21.575 1.00 0.00 C ATOM 461 CG GLN A 29 -3.428 -10.660 -22.823 1.00 0.00 C ATOM 462 CD GLN A 29 -2.770 -10.053 -24.058 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.823 -10.619 -24.604 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.218 -8.923 -24.537 1.00 0.00 N ATOM 0 H GLN A 29 -2.608 -8.970 -19.313 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.888 -9.946 -20.549 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.051 -8.820 -21.755 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.940 -10.114 -21.355 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.155 -11.711 -22.732 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.513 -10.620 -22.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.003 -8.453 -24.086 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.783 -8.511 -25.362 1.00 0.00 H new ATOM 473 N ASP A 30 -2.824 -12.330 -19.567 1.00 0.00 N ATOM 474 CA ASP A 30 -2.703 -13.778 -19.355 1.00 0.00 C ATOM 475 C ASP A 30 -3.349 -14.221 -18.030 1.00 0.00 C ATOM 476 O ASP A 30 -3.354 -15.412 -17.705 1.00 0.00 O ATOM 477 CB ASP A 30 -1.224 -14.189 -19.350 1.00 0.00 C ATOM 478 CG ASP A 30 -1.080 -15.606 -19.901 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.069 -15.751 -21.113 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.981 -16.524 -19.103 1.00 0.00 O ATOM 0 H ASP A 30 -2.060 -11.779 -19.175 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.228 -14.268 -20.175 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.641 -13.493 -19.954 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.827 -14.141 -18.336 1.00 0.00 H new ATOM 485 N ALA A 31 -3.902 -13.264 -17.273 1.00 0.00 N ATOM 486 CA ALA A 31 -4.548 -13.581 -16.001 1.00 0.00 C ATOM 487 C ALA A 31 -6.065 -13.651 -16.170 1.00 0.00 C ATOM 488 O ALA A 31 -6.642 -12.979 -17.029 1.00 0.00 O ATOM 489 CB ALA A 31 -4.216 -12.523 -14.946 1.00 0.00 C ATOM 0 H ALA A 31 -3.913 -12.274 -17.520 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.173 -14.550 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.707 -12.779 -14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.137 -12.487 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.567 -11.548 -15.285 1.00 0.00 H new ATOM 495 N GLU A 32 -6.702 -14.468 -15.331 1.00 0.00 N ATOM 496 CA GLU A 32 -8.160 -14.628 -15.375 1.00 0.00 C ATOM 497 C GLU A 32 -8.780 -14.314 -14.006 1.00 0.00 C ATOM 498 O GLU A 32 -9.719 -14.981 -13.562 1.00 0.00 O ATOM 499 CB GLU A 32 -8.535 -16.059 -15.798 1.00 0.00 C ATOM 500 CG GLU A 32 -7.958 -17.076 -14.802 1.00 0.00 C ATOM 501 CD GLU A 32 -7.521 -18.333 -15.548 1.00 0.00 C ATOM 502 OE1 GLU A 32 -6.423 -18.331 -16.083 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.289 -19.282 -15.573 1.00 0.00 O ATOM 0 H GLU A 32 -6.237 -15.027 -14.616 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.554 -13.927 -16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.619 -16.160 -15.844 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.153 -16.262 -16.798 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.110 -16.641 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.706 -17.329 -14.051 1.00 0.00 H new ATOM 510 N ASP A 33 -8.239 -13.288 -13.342 1.00 0.00 N ATOM 511 CA ASP A 33 -8.736 -12.884 -12.023 1.00 0.00 C ATOM 512 C ASP A 33 -9.022 -11.382 -11.980 1.00 0.00 C ATOM 513 O ASP A 33 -10.063 -10.953 -11.479 1.00 0.00 O ATOM 514 CB ASP A 33 -7.707 -13.229 -10.939 1.00 0.00 C ATOM 515 CG ASP A 33 -8.409 -13.365 -9.590 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.875 -14.453 -9.294 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.467 -12.380 -8.873 1.00 0.00 O ATOM 0 H ASP A 33 -7.463 -12.726 -13.692 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.663 -13.427 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.197 -14.159 -11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.945 -12.452 -10.887 1.00 0.00 H new ATOM 522 N GLY A 34 -8.082 -10.591 -12.503 1.00 0.00 N ATOM 523 CA GLY A 34 -8.226 -9.134 -12.520 1.00 0.00 C ATOM 524 C GLY A 34 -7.124 -8.467 -11.695 1.00 0.00 C ATOM 525 O GLY A 34 -7.369 -7.485 -10.994 1.00 0.00 O ATOM 0 H GLY A 34 -7.216 -10.934 -12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.186 -8.773 -13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.202 -8.856 -12.122 1.00 0.00 H new ATOM 529 N CYS A 35 -5.908 -9.019 -11.792 1.00 0.00 N ATOM 530 CA CYS A 35 -4.754 -8.486 -11.061 1.00 0.00 C ATOM 531 C CYS A 35 -3.470 -8.768 -11.837 1.00 0.00 C ATOM 532 O CYS A 35 -3.313 -9.841 -12.428 1.00 0.00 O ATOM 533 CB CYS A 35 -4.632 -9.139 -9.680 1.00 0.00 C ATOM 534 SG CYS A 35 -6.081 -8.743 -8.672 1.00 0.00 S ATOM 0 H CYS A 35 -5.699 -9.834 -12.369 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.901 -7.412 -10.945 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.539 -10.220 -9.788 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.727 -8.789 -9.183 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.895 -7.996 -9.357 1.00 0.00 H new ATOM 540 N ILE A 36 -2.544 -7.806 -11.820 1.00 0.00 N ATOM 541 CA ILE A 36 -1.268 -7.985 -12.521 1.00 0.00 C ATOM 542 C ILE A 36 -0.303 -8.782 -11.641 1.00 0.00 C ATOM 543 O ILE A 36 -0.614 -9.098 -10.491 1.00 0.00 O ATOM 544 CB ILE A 36 -0.629 -6.634 -12.905 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.039 -5.946 -11.666 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.680 -5.717 -13.541 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.489 -6.042 -11.712 1.00 0.00 C ATOM 0 H ILE A 36 -2.648 -6.912 -11.339 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.469 -8.531 -13.443 1.00 0.00 H new ATOM 0 HB ILE A 36 0.170 -6.825 -13.621 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.348 -4.901 -11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.417 -6.418 -10.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.219 -4.766 -13.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.082 -6.190 -14.437 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.488 -5.542 -12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.911 -5.554 -10.833 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.788 -7.090 -11.723 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.858 -5.550 -12.612 1.00 0.00 H new ATOM 559 N SER A 37 0.867 -9.109 -12.188 1.00 0.00 N ATOM 560 CA SER A 37 1.858 -9.875 -11.435 1.00 0.00 C ATOM 561 C SER A 37 2.824 -8.941 -10.705 1.00 0.00 C ATOM 562 O SER A 37 3.653 -8.278 -11.331 1.00 0.00 O ATOM 563 CB SER A 37 2.652 -10.792 -12.370 1.00 0.00 C ATOM 564 OG SER A 37 3.612 -11.523 -11.615 1.00 0.00 O ATOM 0 H SER A 37 1.149 -8.860 -13.136 1.00 0.00 H new ATOM 0 HA SER A 37 1.325 -10.481 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.978 -11.478 -12.883 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.151 -10.202 -13.138 1.00 0.00 H new ATOM 0 HG SER A 37 4.119 -12.111 -12.213 1.00 0.00 H new ATOM 570 N THR A 38 2.716 -8.911 -9.370 1.00 0.00 N ATOM 571 CA THR A 38 3.602 -8.071 -8.550 1.00 0.00 C ATOM 572 C THR A 38 5.065 -8.409 -8.849 1.00 0.00 C ATOM 573 O THR A 38 5.930 -7.532 -8.861 1.00 0.00 O ATOM 574 CB THR A 38 3.344 -8.288 -7.052 1.00 0.00 C ATOM 575 OG1 THR A 38 3.547 -9.657 -6.727 1.00 0.00 O ATOM 576 CG2 THR A 38 1.910 -7.888 -6.709 1.00 0.00 C ATOM 0 H THR A 38 2.033 -9.451 -8.839 1.00 0.00 H new ATOM 0 HA THR A 38 3.396 -7.030 -8.798 1.00 0.00 H new ATOM 0 HB THR A 38 4.035 -7.672 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.005 -9.724 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.733 -8.044 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.758 -6.836 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.214 -8.498 -7.286 1.00 0.00 H new ATOM 584 N LYS A 39 5.316 -9.698 -9.109 1.00 0.00 N ATOM 585 CA LYS A 39 6.666 -10.168 -9.435 1.00 0.00 C ATOM 586 C LYS A 39 7.131 -9.547 -10.753 1.00 0.00 C ATOM 587 O LYS A 39 8.314 -9.254 -10.932 1.00 0.00 O ATOM 588 CB LYS A 39 6.693 -11.696 -9.575 1.00 0.00 C ATOM 589 CG LYS A 39 6.107 -12.343 -8.316 1.00 0.00 C ATOM 590 CD LYS A 39 5.460 -13.683 -8.679 1.00 0.00 C ATOM 591 CE LYS A 39 4.691 -14.226 -7.470 1.00 0.00 C ATOM 592 NZ LYS A 39 5.592 -15.083 -6.645 1.00 0.00 N ATOM 0 H LYS A 39 4.606 -10.430 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 39 7.331 -9.869 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.121 -12.000 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.716 -12.038 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.892 -12.496 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.367 -11.681 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.785 -13.555 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.225 -14.396 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.308 -13.401 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.829 -14.804 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.067 -15.450 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.937 -15.878 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.401 -14.519 -6.314 1.00 0.00 H new ATOM 606 N GLU A 40 6.174 -9.338 -11.666 1.00 0.00 N ATOM 607 CA GLU A 40 6.474 -8.735 -12.966 1.00 0.00 C ATOM 608 C GLU A 40 6.159 -7.231 -12.957 1.00 0.00 C ATOM 609 O GLU A 40 6.002 -6.615 -14.013 1.00 0.00 O ATOM 610 CB GLU A 40 5.654 -9.410 -14.073 1.00 0.00 C ATOM 611 CG GLU A 40 5.981 -10.907 -14.128 1.00 0.00 C ATOM 612 CD GLU A 40 7.366 -11.109 -14.737 1.00 0.00 C ATOM 613 OE1 GLU A 40 7.456 -11.160 -15.954 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.317 -11.213 -13.979 1.00 0.00 O ATOM 0 H GLU A 40 5.192 -9.577 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 40 7.537 -8.878 -13.160 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.589 -9.268 -13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.874 -8.946 -15.034 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.948 -11.333 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.232 -11.431 -14.722 1.00 0.00 H new ATOM 621 N LEU A 41 6.079 -6.643 -11.751 1.00 0.00 N ATOM 622 CA LEU A 41 5.797 -5.212 -11.623 1.00 0.00 C ATOM 623 C LEU A 41 6.981 -4.377 -12.122 1.00 0.00 C ATOM 624 O LEU A 41 6.825 -3.194 -12.420 1.00 0.00 O ATOM 625 CB LEU A 41 5.492 -4.845 -10.164 1.00 0.00 C ATOM 626 CG LEU A 41 5.227 -3.355 -9.896 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.035 -2.875 -10.733 1.00 0.00 C ATOM 628 CD2 LEU A 41 4.918 -3.150 -8.412 1.00 0.00 C ATOM 0 H LEU A 41 6.204 -7.133 -10.865 1.00 0.00 H new ATOM 0 HA LEU A 41 4.923 -4.992 -12.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.621 -5.415 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.331 -5.164 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 41 6.112 -2.782 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.855 -1.818 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.254 -3.015 -11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.148 -3.450 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.730 -2.093 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.036 -3.730 -8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.768 -3.481 -7.814 1.00 0.00 H new ATOM 640 N GLY A 42 8.163 -5.003 -12.226 1.00 0.00 N ATOM 641 CA GLY A 42 9.354 -4.305 -12.710 1.00 0.00 C ATOM 642 C GLY A 42 9.116 -3.747 -14.115 1.00 0.00 C ATOM 643 O GLY A 42 9.542 -2.637 -14.432 1.00 0.00 O ATOM 0 H GLY A 42 8.315 -5.982 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.609 -3.493 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.203 -4.989 -12.723 1.00 0.00 H new ATOM 647 N LYS A 43 8.408 -4.526 -14.947 1.00 0.00 N ATOM 648 CA LYS A 43 8.093 -4.096 -16.315 1.00 0.00 C ATOM 649 C LYS A 43 7.120 -2.912 -16.295 1.00 0.00 C ATOM 650 O LYS A 43 7.072 -2.119 -17.237 1.00 0.00 O ATOM 651 CB LYS A 43 7.458 -5.243 -17.113 1.00 0.00 C ATOM 652 CG LYS A 43 8.454 -6.400 -17.251 1.00 0.00 C ATOM 653 CD LYS A 43 9.518 -6.047 -18.295 1.00 0.00 C ATOM 654 CE LYS A 43 9.967 -7.317 -19.024 1.00 0.00 C ATOM 655 NZ LYS A 43 9.131 -7.518 -20.244 1.00 0.00 N ATOM 0 H LYS A 43 8.047 -5.447 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 43 9.027 -3.796 -16.791 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.554 -5.589 -16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.160 -4.889 -18.100 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.927 -6.601 -16.290 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.930 -7.310 -17.545 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.116 -5.329 -19.010 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.372 -5.572 -17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.018 -7.237 -19.301 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.876 -8.179 -18.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.438 -8.381 -20.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.133 -7.613 -19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.239 -6.700 -20.878 1.00 0.00 H new ATOM 669 N VAL A 44 6.353 -2.803 -15.204 1.00 0.00 N ATOM 670 CA VAL A 44 5.385 -1.716 -15.052 1.00 0.00 C ATOM 671 C VAL A 44 6.075 -0.483 -14.478 1.00 0.00 C ATOM 672 O VAL A 44 5.918 0.623 -14.991 1.00 0.00 O ATOM 673 CB VAL A 44 4.240 -2.106 -14.110 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.028 -1.220 -14.402 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.854 -3.580 -14.308 1.00 0.00 C ATOM 0 H VAL A 44 6.385 -3.452 -14.418 1.00 0.00 H new ATOM 0 HA VAL A 44 4.976 -1.506 -16.040 1.00 0.00 H new ATOM 0 HB VAL A 44 4.567 -1.967 -13.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.210 -1.492 -13.735 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.294 -0.175 -14.242 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.715 -1.361 -15.437 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.040 -3.837 -13.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.532 -3.737 -15.338 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.716 -4.213 -14.097 1.00 0.00 H new ATOM 685 N MET A 45 6.840 -0.692 -13.399 1.00 0.00 N ATOM 686 CA MET A 45 7.562 0.405 -12.747 1.00 0.00 C ATOM 687 C MET A 45 8.426 1.153 -13.760 1.00 0.00 C ATOM 688 O MET A 45 8.455 2.383 -13.769 1.00 0.00 O ATOM 689 CB MET A 45 8.455 -0.127 -11.620 1.00 0.00 C ATOM 690 CG MET A 45 7.636 -0.257 -10.334 1.00 0.00 C ATOM 691 SD MET A 45 8.720 -0.780 -8.979 1.00 0.00 S ATOM 692 CE MET A 45 8.483 0.670 -7.922 1.00 0.00 C ATOM 0 H MET A 45 6.974 -1.604 -12.962 1.00 0.00 H new ATOM 0 HA MET A 45 6.823 1.087 -12.327 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.870 -1.096 -11.898 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.297 0.547 -11.460 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.166 0.696 -10.091 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.834 -0.982 -10.473 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.296 0.730 -7.199 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.476 1.571 -8.536 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.533 0.584 -7.394 1.00 0.00 H new ATOM 702 N ARG A 46 9.111 0.396 -14.624 1.00 0.00 N ATOM 703 CA ARG A 46 9.959 1.005 -15.656 1.00 0.00 C ATOM 704 C ARG A 46 9.092 1.762 -16.666 1.00 0.00 C ATOM 705 O ARG A 46 9.495 2.800 -17.194 1.00 0.00 O ATOM 706 CB ARG A 46 10.784 -0.056 -16.392 1.00 0.00 C ATOM 707 CG ARG A 46 11.583 -0.888 -15.382 1.00 0.00 C ATOM 708 CD ARG A 46 13.048 -0.448 -15.390 1.00 0.00 C ATOM 709 NE ARG A 46 13.889 -1.448 -14.730 1.00 0.00 N ATOM 710 CZ ARG A 46 14.367 -2.518 -15.385 1.00 0.00 C ATOM 711 NH1 ARG A 46 14.085 -2.713 -16.652 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.123 -3.377 -14.751 1.00 0.00 N ATOM 0 H ARG A 46 9.097 -0.624 -14.631 1.00 0.00 H new ATOM 0 HA ARG A 46 10.642 1.697 -15.163 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.126 -0.704 -16.971 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.462 0.423 -17.099 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.163 -0.766 -14.384 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.511 -1.947 -15.631 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.384 -0.302 -16.417 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.148 0.512 -14.883 1.00 0.00 H new ATOM 0 HE ARG A 46 14.119 -1.328 -13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.496 -2.047 -17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.455 -3.530 -17.137 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.345 -3.231 -13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.490 -4.193 -15.241 1.00 0.00 H new ATOM 726 N MET A 47 7.882 1.238 -16.904 1.00 0.00 N ATOM 727 CA MET A 47 6.937 1.871 -17.827 1.00 0.00 C ATOM 728 C MET A 47 6.442 3.198 -17.241 1.00 0.00 C ATOM 729 O MET A 47 6.207 4.164 -17.970 1.00 0.00 O ATOM 730 CB MET A 47 5.738 0.949 -18.076 1.00 0.00 C ATOM 731 CG MET A 47 4.983 1.391 -19.333 1.00 0.00 C ATOM 732 SD MET A 47 6.048 1.193 -20.785 1.00 0.00 S ATOM 733 CE MET A 47 6.005 -0.615 -20.859 1.00 0.00 C ATOM 0 H MET A 47 7.538 0.381 -16.471 1.00 0.00 H new ATOM 0 HA MET A 47 7.448 2.058 -18.771 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.079 -0.080 -18.191 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.069 0.969 -17.215 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.076 0.798 -19.452 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.673 2.432 -19.236 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.846 -0.933 -21.889 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.951 -1.017 -20.497 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.192 -0.985 -20.235 1.00 0.00 H new ATOM 743 N LEU A 48 6.303 3.230 -15.909 1.00 0.00 N ATOM 744 CA LEU A 48 5.855 4.437 -15.209 1.00 0.00 C ATOM 745 C LEU A 48 6.968 5.488 -15.204 1.00 0.00 C ATOM 746 O LEU A 48 6.703 6.692 -15.237 1.00 0.00 O ATOM 747 CB LEU A 48 5.483 4.099 -13.758 1.00 0.00 C ATOM 748 CG LEU A 48 4.006 3.760 -13.508 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.507 2.768 -14.563 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.859 3.134 -12.116 1.00 0.00 C ATOM 0 H LEU A 48 6.494 2.436 -15.298 1.00 0.00 H new ATOM 0 HA LEU A 48 4.982 4.832 -15.729 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.090 3.253 -13.435 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.754 4.945 -13.127 1.00 0.00 H new ATOM 0 HG LEU A 48 3.415 4.674 -13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.459 2.535 -14.376 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.609 3.209 -15.554 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.097 1.853 -14.510 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.812 2.892 -11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.457 2.224 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.204 3.840 -11.361 1.00 0.00 H new ATOM 762 N GLY A 49 8.217 5.009 -15.168 1.00 0.00 N ATOM 763 CA GLY A 49 9.383 5.895 -15.163 1.00 0.00 C ATOM 764 C GLY A 49 10.275 5.645 -13.943 1.00 0.00 C ATOM 765 O GLY A 49 10.920 6.567 -13.441 1.00 0.00 O ATOM 0 H GLY A 49 8.444 4.015 -15.142 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.961 5.742 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.052 6.933 -15.166 1.00 0.00 H new ATOM 769 N GLN A 50 10.311 4.390 -13.473 1.00 0.00 N ATOM 770 CA GLN A 50 11.129 4.033 -12.311 1.00 0.00 C ATOM 771 C GLN A 50 11.965 2.789 -12.608 1.00 0.00 C ATOM 772 O GLN A 50 11.464 1.802 -13.146 1.00 0.00 O ATOM 773 CB GLN A 50 10.249 3.748 -11.085 1.00 0.00 C ATOM 774 CG GLN A 50 9.239 4.884 -10.875 1.00 0.00 C ATOM 775 CD GLN A 50 9.965 6.165 -10.468 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.850 6.145 -9.610 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.637 7.295 -11.036 1.00 0.00 N ATOM 0 H GLN A 50 9.788 3.613 -13.877 1.00 0.00 H new ATOM 0 HA GLN A 50 11.783 4.879 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.721 2.804 -11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.874 3.640 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.674 5.053 -11.792 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.520 4.604 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.905 7.315 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.113 8.157 -10.769 1.00 0.00 H new ATOM 786 N ASN A 51 13.247 2.848 -12.241 1.00 0.00 N ATOM 787 CA ASN A 51 14.156 1.721 -12.464 1.00 0.00 C ATOM 788 C ASN A 51 14.810 1.295 -11.139 1.00 0.00 C ATOM 789 O ASN A 51 16.005 1.512 -10.926 1.00 0.00 O ATOM 790 CB ASN A 51 15.245 2.115 -13.474 1.00 0.00 C ATOM 791 CG ASN A 51 15.848 0.862 -14.111 1.00 0.00 C ATOM 792 OD1 ASN A 51 16.299 -0.046 -13.412 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.887 0.760 -15.414 1.00 0.00 N ATOM 0 H ASN A 51 13.677 3.657 -11.792 1.00 0.00 H new ATOM 0 HA ASN A 51 13.582 0.884 -12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.821 2.757 -14.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.025 2.690 -12.974 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.290 -0.070 -15.849 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.514 1.510 -15.996 1.00 0.00 H new ATOM 800 N PRO A 52 14.027 0.688 -10.233 1.00 0.00 N ATOM 801 CA PRO A 52 14.538 0.235 -8.924 1.00 0.00 C ATOM 802 C PRO A 52 15.185 -1.154 -8.991 1.00 0.00 C ATOM 803 O PRO A 52 15.549 -1.635 -10.067 1.00 0.00 O ATOM 804 CB PRO A 52 13.263 0.196 -8.085 1.00 0.00 C ATOM 805 CG PRO A 52 12.100 0.014 -9.050 1.00 0.00 C ATOM 806 CD PRO A 52 12.590 0.416 -10.447 1.00 0.00 C ATOM 0 HA PRO A 52 15.323 0.881 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.299 -0.623 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.149 1.117 -7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.758 -1.021 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.253 0.630 -8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.435 -0.381 -11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.065 1.295 -10.821 1.00 0.00 H new ATOM 814 N THR A 53 15.310 -1.788 -7.824 1.00 0.00 N ATOM 815 CA THR A 53 15.897 -3.128 -7.730 1.00 0.00 C ATOM 816 C THR A 53 14.775 -4.153 -7.505 1.00 0.00 C ATOM 817 O THR A 53 13.615 -3.770 -7.338 1.00 0.00 O ATOM 818 CB THR A 53 16.906 -3.182 -6.563 1.00 0.00 C ATOM 819 OG1 THR A 53 16.217 -3.396 -5.336 1.00 0.00 O ATOM 820 CG2 THR A 53 17.684 -1.864 -6.479 1.00 0.00 C ATOM 0 H THR A 53 15.013 -1.396 -6.930 1.00 0.00 H new ATOM 0 HA THR A 53 16.424 -3.362 -8.655 1.00 0.00 H new ATOM 0 HB THR A 53 17.601 -4.003 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.863 -3.431 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.393 -1.912 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.224 -1.700 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.989 -1.041 -6.313 1.00 0.00 H new ATOM 828 N PRO A 54 15.089 -5.459 -7.480 1.00 0.00 N ATOM 829 CA PRO A 54 14.060 -6.494 -7.252 1.00 0.00 C ATOM 830 C PRO A 54 13.614 -6.545 -5.788 1.00 0.00 C ATOM 831 O PRO A 54 12.498 -6.970 -5.482 1.00 0.00 O ATOM 832 CB PRO A 54 14.771 -7.773 -7.678 1.00 0.00 C ATOM 833 CG PRO A 54 16.265 -7.506 -7.573 1.00 0.00 C ATOM 834 CD PRO A 54 16.460 -5.987 -7.663 1.00 0.00 C ATOM 0 HA PRO A 54 13.138 -6.312 -7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.482 -8.607 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.498 -8.045 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.660 -7.890 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.804 -8.012 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.139 -5.622 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.881 -5.691 -8.624 1.00 0.00 H new ATOM 842 N GLU A 55 14.491 -6.072 -4.895 1.00 0.00 N ATOM 843 CA GLU A 55 14.179 -6.030 -3.468 1.00 0.00 C ATOM 844 C GLU A 55 13.304 -4.811 -3.174 1.00 0.00 C ATOM 845 O GLU A 55 12.340 -4.894 -2.410 1.00 0.00 O ATOM 846 CB GLU A 55 15.461 -5.939 -2.633 1.00 0.00 C ATOM 847 CG GLU A 55 16.270 -7.233 -2.782 1.00 0.00 C ATOM 848 CD GLU A 55 15.937 -8.185 -1.636 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.526 -8.035 -0.576 1.00 0.00 O ATOM 850 OE2 GLU A 55 15.097 -9.048 -1.835 1.00 0.00 O ATOM 0 H GLU A 55 15.416 -5.716 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 55 13.651 -6.946 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.058 -5.087 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.212 -5.773 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.044 -7.706 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.337 -7.008 -2.782 1.00 0.00 H new ATOM 857 N GLU A 56 13.646 -3.677 -3.806 1.00 0.00 N ATOM 858 CA GLU A 56 12.884 -2.440 -3.623 1.00 0.00 C ATOM 859 C GLU A 56 11.514 -2.552 -4.294 1.00 0.00 C ATOM 860 O GLU A 56 10.513 -2.074 -3.761 1.00 0.00 O ATOM 861 CB GLU A 56 13.639 -1.244 -4.216 1.00 0.00 C ATOM 862 CG GLU A 56 13.361 0.008 -3.378 1.00 0.00 C ATOM 863 CD GLU A 56 14.487 0.209 -2.366 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.395 -0.355 -1.289 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.423 0.924 -2.686 1.00 0.00 O ATOM 0 H GLU A 56 14.439 -3.595 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 56 12.752 -2.284 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.709 -1.450 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.327 -1.080 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.281 0.881 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.407 -0.093 -2.860 1.00 0.00 H new ATOM 872 N LEU A 57 11.480 -3.206 -5.464 1.00 0.00 N ATOM 873 CA LEU A 57 10.233 -3.401 -6.195 1.00 0.00 C ATOM 874 C LEU A 57 9.235 -4.161 -5.315 1.00 0.00 C ATOM 875 O LEU A 57 8.068 -3.778 -5.206 1.00 0.00 O ATOM 876 CB LEU A 57 10.523 -4.185 -7.488 1.00 0.00 C ATOM 877 CG LEU A 57 9.342 -4.905 -8.147 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.043 -6.202 -7.393 1.00 0.00 C ATOM 879 CD2 LEU A 57 8.106 -4.001 -8.144 1.00 0.00 C ATOM 0 H LEU A 57 12.302 -3.605 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 57 9.799 -2.436 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.946 -3.493 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.292 -4.926 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 57 9.601 -5.142 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.203 -6.711 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.920 -6.849 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.793 -5.971 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.273 -4.523 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.842 -3.748 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.322 -3.088 -8.698 1.00 0.00 H new ATOM 891 N GLN A 58 9.720 -5.231 -4.676 1.00 0.00 N ATOM 892 CA GLN A 58 8.876 -6.037 -3.788 1.00 0.00 C ATOM 893 C GLN A 58 8.467 -5.229 -2.555 1.00 0.00 C ATOM 894 O GLN A 58 7.355 -5.380 -2.050 1.00 0.00 O ATOM 895 CB GLN A 58 9.611 -7.305 -3.338 1.00 0.00 C ATOM 896 CG GLN A 58 9.127 -8.500 -4.165 1.00 0.00 C ATOM 897 CD GLN A 58 7.731 -8.913 -3.703 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.578 -9.543 -2.655 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.691 -8.591 -4.425 1.00 0.00 N ATOM 0 H GLN A 58 10.683 -5.557 -4.756 1.00 0.00 H new ATOM 0 HA GLN A 58 7.984 -6.321 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.687 -7.177 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.430 -7.486 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.108 -8.239 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.819 -9.335 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.814 -8.070 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.756 -8.861 -4.121 1.00 0.00 H new ATOM 908 N GLU A 59 9.374 -4.358 -2.085 1.00 0.00 N ATOM 909 CA GLU A 59 9.090 -3.516 -0.918 1.00 0.00 C ATOM 910 C GLU A 59 7.829 -2.679 -1.153 1.00 0.00 C ATOM 911 O GLU A 59 7.030 -2.475 -0.239 1.00 0.00 O ATOM 912 CB GLU A 59 10.269 -2.580 -0.623 1.00 0.00 C ATOM 913 CG GLU A 59 11.211 -3.244 0.387 1.00 0.00 C ATOM 914 CD GLU A 59 12.576 -2.563 0.342 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.727 -1.536 0.985 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.453 -3.079 -0.333 1.00 0.00 O ATOM 0 H GLU A 59 10.299 -4.221 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 59 8.933 -4.174 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.807 -2.355 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.904 -1.632 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.792 -3.174 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.315 -4.305 0.159 1.00 0.00 H new ATOM 923 N MET A 60 7.654 -2.218 -2.395 1.00 0.00 N ATOM 924 CA MET A 60 6.476 -1.421 -2.748 1.00 0.00 C ATOM 925 C MET A 60 5.233 -2.307 -2.801 1.00 0.00 C ATOM 926 O MET A 60 4.132 -1.868 -2.478 1.00 0.00 O ATOM 927 CB MET A 60 6.654 -0.741 -4.113 1.00 0.00 C ATOM 928 CG MET A 60 8.016 -0.043 -4.186 1.00 0.00 C ATOM 929 SD MET A 60 7.982 1.477 -3.204 1.00 0.00 S ATOM 930 CE MET A 60 9.769 1.765 -3.181 1.00 0.00 C ATOM 0 H MET A 60 8.304 -2.380 -3.164 1.00 0.00 H new ATOM 0 HA MET A 60 6.357 -0.656 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.574 -1.481 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.857 -0.015 -4.272 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.796 -0.708 -3.815 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.261 0.189 -5.223 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.984 2.672 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.268 0.918 -2.711 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.132 1.879 -4.202 1.00 0.00 H new ATOM 940 N ILE A 61 5.423 -3.561 -3.220 1.00 0.00 N ATOM 941 CA ILE A 61 4.308 -4.509 -3.321 1.00 0.00 C ATOM 942 C ILE A 61 3.681 -4.769 -1.947 1.00 0.00 C ATOM 943 O ILE A 61 2.495 -4.526 -1.751 1.00 0.00 O ATOM 944 CB ILE A 61 4.776 -5.843 -3.931 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.153 -5.635 -5.407 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.655 -6.886 -3.834 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.945 -5.111 -6.192 1.00 0.00 C ATOM 0 H ILE A 61 6.329 -3.942 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 61 3.558 -4.062 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 61 5.646 -6.198 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.980 -4.929 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.496 -6.575 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.995 -7.827 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.393 -7.043 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.780 -6.531 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.224 -4.967 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.130 -5.832 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.621 -4.160 -5.769 1.00 0.00 H new ATOM 959 N ASP A 62 4.482 -5.274 -1.005 1.00 0.00 N ATOM 960 CA ASP A 62 3.967 -5.570 0.341 1.00 0.00 C ATOM 961 C ASP A 62 3.385 -4.321 1.019 1.00 0.00 C ATOM 962 O ASP A 62 2.463 -4.426 1.830 1.00 0.00 O ATOM 963 CB ASP A 62 5.063 -6.175 1.234 1.00 0.00 C ATOM 964 CG ASP A 62 6.180 -5.163 1.481 1.00 0.00 C ATOM 965 OD1 ASP A 62 6.043 -4.363 2.393 1.00 0.00 O ATOM 966 OD2 ASP A 62 7.161 -5.214 0.764 1.00 0.00 O ATOM 0 H ASP A 62 5.471 -5.484 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 62 3.166 -6.298 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.632 -6.488 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.473 -7.068 0.761 1.00 0.00 H new ATOM 971 N GLU A 63 3.928 -3.144 0.687 1.00 0.00 N ATOM 972 CA GLU A 63 3.444 -1.896 1.285 1.00 0.00 C ATOM 973 C GLU A 63 2.135 -1.447 0.629 1.00 0.00 C ATOM 974 O GLU A 63 1.139 -1.200 1.311 1.00 0.00 O ATOM 975 CB GLU A 63 4.487 -0.784 1.128 1.00 0.00 C ATOM 976 CG GLU A 63 5.558 -0.929 2.213 1.00 0.00 C ATOM 977 CD GLU A 63 6.644 0.123 2.003 1.00 0.00 C ATOM 978 OE1 GLU A 63 7.552 -0.134 1.230 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.552 1.173 2.621 1.00 0.00 O ATOM 0 H GLU A 63 4.690 -3.030 0.019 1.00 0.00 H new ATOM 0 HA GLU A 63 3.268 -2.085 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.945 -0.838 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.007 0.192 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.109 -0.811 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.993 -1.928 2.178 1.00 0.00 H new ATOM 986 N VAL A 64 2.155 -1.344 -0.702 1.00 0.00 N ATOM 987 CA VAL A 64 0.974 -0.918 -1.460 1.00 0.00 C ATOM 988 C VAL A 64 -0.107 -1.995 -1.428 1.00 0.00 C ATOM 989 O VAL A 64 -1.195 -1.777 -0.892 1.00 0.00 O ATOM 990 CB VAL A 64 1.360 -0.630 -2.918 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.140 -0.114 -3.685 1.00 0.00 C ATOM 992 CG2 VAL A 64 2.474 0.419 -2.945 1.00 0.00 C ATOM 0 H VAL A 64 2.973 -1.549 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 64 0.583 -0.011 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 64 1.712 -1.547 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.419 0.089 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.648 -0.866 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.221 0.803 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.752 0.628 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.122 1.336 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.342 0.042 -2.404 1.00 0.00 H new ATOM 1002 N ASP A 65 0.211 -3.156 -2.012 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.727 -4.282 -2.059 1.00 0.00 C ATOM 1004 C ASP A 65 -1.261 -4.594 -0.658 1.00 0.00 C ATOM 1005 O ASP A 65 -0.575 -5.205 0.166 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.037 -5.529 -2.631 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.978 -6.253 -3.587 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.007 -5.881 -4.748 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.651 -7.172 -3.149 1.00 0.00 O ATOM 0 H ASP A 65 1.110 -3.340 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.560 -4.003 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.876 -5.242 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.256 -6.197 -1.821 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.496 -4.154 -0.406 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.144 -4.369 0.895 1.00 0.00 C ATOM 1016 C GLU A 66 -3.397 -5.856 1.140 1.00 0.00 C ATOM 1017 O GLU A 66 -3.365 -6.322 2.280 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.486 -3.627 0.966 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.324 -2.205 0.418 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.436 -1.309 0.957 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.527 -1.355 0.410 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.180 -0.587 1.909 1.00 0.00 O ATOM 0 H GLU A 66 -3.068 -3.648 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.470 -3.982 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.240 -4.164 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.838 -3.591 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.352 -1.804 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.354 -2.220 -0.671 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.654 -6.592 0.056 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.921 -8.028 0.162 1.00 0.00 C ATOM 1031 C ASP A 67 -2.620 -8.815 0.319 1.00 0.00 C ATOM 1032 O ASP A 67 -2.523 -9.709 1.162 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.658 -8.540 -1.084 1.00 0.00 C ATOM 1034 CG ASP A 67 -5.854 -7.641 -1.401 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -6.701 -7.481 -0.536 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -5.907 -7.130 -2.508 1.00 0.00 O ATOM 0 H ASP A 67 -3.683 -6.223 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.545 -8.177 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.976 -8.563 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.997 -9.563 -0.920 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.629 -8.491 -0.517 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.344 -9.189 -0.480 1.00 0.00 C ATOM 1043 C GLY A 68 -0.489 -10.580 -1.093 1.00 0.00 C ATOM 1044 O GLY A 68 0.103 -11.550 -0.618 1.00 0.00 O ATOM 0 H GLY A 68 -1.692 -7.756 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.406 -8.618 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.006 -9.270 0.549 1.00 0.00 H new ATOM 1048 N SER A 69 -1.299 -10.657 -2.154 1.00 0.00 N ATOM 1049 CA SER A 69 -1.548 -11.924 -2.843 1.00 0.00 C ATOM 1050 C SER A 69 -0.591 -12.126 -4.029 1.00 0.00 C ATOM 1051 O SER A 69 -0.800 -13.016 -4.857 1.00 0.00 O ATOM 1052 CB SER A 69 -2.992 -11.956 -3.358 1.00 0.00 C ATOM 1053 OG SER A 69 -3.307 -10.707 -3.970 1.00 0.00 O ATOM 0 H SER A 69 -1.792 -9.858 -2.552 1.00 0.00 H new ATOM 0 HA SER A 69 -1.380 -12.728 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.115 -12.766 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.679 -12.153 -2.535 1.00 0.00 H new ATOM 0 HG SER A 69 -3.218 -10.788 -4.943 1.00 0.00 H new ATOM 1059 N GLY A 70 0.451 -11.290 -4.113 1.00 0.00 N ATOM 1060 CA GLY A 70 1.413 -11.386 -5.211 1.00 0.00 C ATOM 1061 C GLY A 70 0.791 -10.899 -6.522 1.00 0.00 C ATOM 1062 O GLY A 70 1.270 -11.232 -7.608 1.00 0.00 O ATOM 0 H GLY A 70 0.646 -10.548 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.297 -10.791 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.744 -12.419 -5.322 1.00 0.00 H new ATOM 1066 N THR A 71 -0.289 -10.110 -6.408 1.00 0.00 N ATOM 1067 CA THR A 71 -0.981 -9.586 -7.585 1.00 0.00 C ATOM 1068 C THR A 71 -1.551 -8.199 -7.286 1.00 0.00 C ATOM 1069 O THR A 71 -2.176 -7.984 -6.244 1.00 0.00 O ATOM 1070 CB THR A 71 -2.124 -10.524 -8.006 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.172 -10.464 -7.046 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.609 -11.963 -8.101 1.00 0.00 C ATOM 0 H THR A 71 -0.696 -9.825 -5.517 1.00 0.00 H new ATOM 0 HA THR A 71 -0.260 -9.517 -8.400 1.00 0.00 H new ATOM 0 HB THR A 71 -2.500 -10.209 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.899 -11.062 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.424 -12.622 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.810 -12.015 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.226 -12.277 -7.130 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.324 -7.261 -8.208 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.815 -5.893 -8.025 1.00 0.00 C ATOM 1082 C VAL A 72 -3.153 -5.693 -8.731 1.00 0.00 C ATOM 1083 O VAL A 72 -3.251 -5.817 -9.953 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.824 -4.860 -8.583 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.162 -3.475 -8.025 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.609 -5.223 -8.183 1.00 0.00 C ATOM 0 H VAL A 72 -0.812 -7.419 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.932 -5.746 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.901 -4.855 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.459 -2.742 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.175 -3.202 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.093 -3.494 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.298 -4.481 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.690 -5.241 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.860 -6.206 -8.581 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.172 -5.341 -7.948 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.500 -5.074 -8.499 1.00 0.00 C ATOM 1098 C ASP A 73 -5.515 -3.647 -9.043 1.00 0.00 C ATOM 1099 O ASP A 73 -4.620 -2.861 -8.739 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.577 -5.215 -7.413 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.874 -5.761 -8.016 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -8.488 -5.056 -8.801 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -8.240 -6.873 -7.674 1.00 0.00 O ATOM 0 H ASP A 73 -4.104 -5.234 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.714 -5.792 -9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.225 -5.883 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.764 -4.247 -6.949 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.522 -3.312 -9.849 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.601 -1.962 -10.413 1.00 0.00 C ATOM 1110 C PHE A 74 -6.634 -0.903 -9.305 1.00 0.00 C ATOM 1111 O PHE A 74 -6.093 0.193 -9.468 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.832 -1.807 -11.311 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.686 -0.556 -12.138 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.480 -0.299 -12.801 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.749 0.345 -12.240 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.341 0.861 -13.567 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.608 1.506 -13.005 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.405 1.764 -13.668 1.00 0.00 C ATOM 0 H PHE A 74 -7.279 -3.939 -10.122 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.707 -1.812 -11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.936 -2.677 -11.960 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.736 -1.753 -10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.659 -0.996 -12.720 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.679 0.144 -11.728 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.412 1.061 -14.081 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.429 2.204 -13.084 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.297 2.661 -14.259 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.254 -1.248 -8.168 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.324 -0.326 -7.031 1.00 0.00 C ATOM 1130 C ASP A 75 -5.931 -0.150 -6.424 1.00 0.00 C ATOM 1131 O ASP A 75 -5.511 0.965 -6.113 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.280 -0.857 -5.952 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.670 -1.067 -6.550 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.433 -0.114 -6.578 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.951 -2.180 -6.969 1.00 0.00 O ATOM 0 H ASP A 75 -7.709 -2.148 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.699 0.632 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.902 -1.796 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.334 -0.152 -5.122 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.214 -1.273 -6.280 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.853 -1.252 -5.731 1.00 0.00 C ATOM 1142 C GLU A 76 -2.877 -0.637 -6.748 1.00 0.00 C ATOM 1143 O GLU A 76 -1.854 -0.059 -6.373 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.390 -2.676 -5.382 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.389 -3.322 -4.409 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.003 -4.780 -4.146 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.916 -5.536 -5.099 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.808 -5.121 -2.992 1.00 0.00 O ATOM 0 H GLU A 76 -5.552 -2.201 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.863 -0.646 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.311 -3.276 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.397 -2.646 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.405 -2.767 -3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.396 -3.274 -4.824 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.218 -0.767 -8.040 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.392 -0.226 -9.125 1.00 0.00 C ATOM 1157 C PHE A 77 -2.379 1.303 -9.070 1.00 0.00 C ATOM 1158 O PHE A 77 -1.317 1.928 -9.062 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.965 -0.667 -10.483 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.883 -0.795 -11.537 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.523 -0.928 -11.193 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.261 -0.791 -12.884 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.438 -1.052 -12.201 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.297 -0.918 -13.884 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.050 -1.046 -13.545 1.00 0.00 C ATOM 0 H PHE A 77 -4.062 -1.244 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.376 -0.603 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.476 -1.623 -10.369 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.711 0.055 -10.814 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.224 -0.934 -10.155 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.303 -0.689 -13.150 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.482 -1.153 -11.942 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.594 -0.917 -14.922 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.795 -1.141 -14.321 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.582 1.890 -9.031 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.724 3.348 -8.974 1.00 0.00 C ATOM 1177 C LEU A 78 -3.212 3.896 -7.637 1.00 0.00 C ATOM 1178 O LEU A 78 -2.716 5.022 -7.569 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.194 3.748 -9.161 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.660 3.907 -10.620 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.042 2.815 -11.496 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.186 3.798 -10.680 1.00 0.00 C ATOM 0 H LEU A 78 -4.465 1.380 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.127 3.775 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.820 2.998 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.365 4.690 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.341 4.882 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.380 2.939 -12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.955 2.891 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.350 1.836 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.518 3.910 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.496 2.824 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.631 4.582 -10.068 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.323 3.082 -6.576 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.850 3.490 -5.249 1.00 0.00 C ATOM 1196 C VAL A 79 -1.343 3.765 -5.302 1.00 0.00 C ATOM 1197 O VAL A 79 -0.881 4.822 -4.877 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.156 2.393 -4.213 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.151 2.448 -3.059 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.568 2.598 -3.657 1.00 0.00 C ATOM 0 H VAL A 79 -3.732 2.148 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.369 4.401 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.082 1.421 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.383 1.665 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.143 2.297 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.210 3.421 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.786 1.822 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.633 3.576 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.291 2.542 -4.471 1.00 0.00 H new ATOM 1210 N MET A 80 -0.593 2.797 -5.841 1.00 0.00 N ATOM 1211 CA MET A 80 0.866 2.918 -5.978 1.00 0.00 C ATOM 1212 C MET A 80 1.275 4.303 -6.503 1.00 0.00 C ATOM 1213 O MET A 80 2.331 4.823 -6.139 1.00 0.00 O ATOM 1214 CB MET A 80 1.389 1.855 -6.952 1.00 0.00 C ATOM 1215 CG MET A 80 2.599 1.145 -6.344 1.00 0.00 C ATOM 1216 SD MET A 80 3.158 -0.165 -7.463 1.00 0.00 S ATOM 1217 CE MET A 80 3.803 0.905 -8.773 1.00 0.00 C ATOM 0 H MET A 80 -0.973 1.917 -6.191 1.00 0.00 H new ATOM 0 HA MET A 80 1.298 2.777 -4.987 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.604 1.132 -7.171 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.666 2.320 -7.898 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.404 1.859 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.336 0.722 -5.374 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.640 0.411 -9.267 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.017 1.102 -9.502 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.141 1.847 -8.340 1.00 0.00 H new ATOM 1227 N MET A 81 0.429 4.890 -7.362 1.00 0.00 N ATOM 1228 CA MET A 81 0.712 6.211 -7.932 1.00 0.00 C ATOM 1229 C MET A 81 0.723 7.282 -6.840 1.00 0.00 C ATOM 1230 O MET A 81 1.729 7.966 -6.636 1.00 0.00 O ATOM 1231 CB MET A 81 -0.342 6.576 -8.983 1.00 0.00 C ATOM 1232 CG MET A 81 0.038 7.894 -9.667 1.00 0.00 C ATOM 1233 SD MET A 81 -1.216 8.320 -10.903 1.00 0.00 S ATOM 1234 CE MET A 81 -2.645 8.351 -9.792 1.00 0.00 C ATOM 0 H MET A 81 -0.448 4.474 -7.674 1.00 0.00 H new ATOM 0 HA MET A 81 1.695 6.169 -8.401 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.420 5.781 -9.724 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.321 6.669 -8.512 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.118 8.690 -8.927 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.015 7.801 -10.142 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.277 9.205 -10.036 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.217 7.431 -9.909 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.302 8.436 -8.761 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.409 7.421 -6.142 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.526 8.414 -5.067 1.00 0.00 C ATOM 1246 C VAL A 82 0.445 8.104 -3.922 1.00 0.00 C ATOM 1247 O VAL A 82 0.909 9.009 -3.233 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.960 8.471 -4.518 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.894 9.017 -5.599 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.426 7.069 -4.106 1.00 0.00 C ATOM 0 H VAL A 82 -1.250 6.865 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.272 9.384 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.981 9.123 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.912 9.059 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.573 10.019 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.863 8.363 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.443 7.123 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.402 6.408 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.764 6.678 -3.333 1.00 0.00 H new ATOM 1260 N ARG A 83 0.755 6.814 -3.739 1.00 0.00 N ATOM 1261 CA ARG A 83 1.686 6.396 -2.686 1.00 0.00 C ATOM 1262 C ARG A 83 3.077 6.991 -2.929 1.00 0.00 C ATOM 1263 O ARG A 83 3.820 7.261 -1.984 1.00 0.00 O ATOM 1264 CB ARG A 83 1.806 4.869 -2.642 1.00 0.00 C ATOM 1265 CG ARG A 83 0.498 4.262 -2.128 1.00 0.00 C ATOM 1266 CD ARG A 83 0.805 3.162 -1.108 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.198 3.148 -0.040 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.039 2.402 1.062 1.00 0.00 C ATOM 1269 NH1 ARG A 83 1.031 1.660 1.223 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -0.963 2.415 1.989 1.00 0.00 N ATOM 0 H ARG A 83 0.379 6.050 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 83 1.293 6.758 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.031 4.484 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.632 4.578 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.117 5.036 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.075 3.851 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.825 2.193 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.795 3.322 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.037 3.720 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.755 1.646 0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.139 1.097 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.797 2.990 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.849 1.850 2.830 1.00 0.00 H new