USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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: B 11 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.09) USER MOD Set 1.2: B 19 TYR OH : rot -74:sc= -0.284 USER MOD Set 2.1: A 61 SER OG : rot 160:sc= -0.821 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 58 MET CE :methyl 167:sc= -1.32! (180deg=-0.554) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 145:sc= -0.0537 (180deg=-0.0399) USER MOD Single : A 8 THR OG1 : rot -160:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 138:sc= -3.2! (180deg=-7.06!) USER MOD Single : A 14 SER OG : rot 77:sc= 0.00344 USER MOD Single : A 20 GLN :FLIP amide:sc= -4.17 F(o=-12!,f=-4.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.553 F(o=-2.4!,f=-0.55) USER MOD Single : A 23 MET CE :methyl -138:sc= -5.98! (180deg=-10.2!) USER MOD Single : A 33 GLN : amide:sc= -0.0227 K(o=-0.023,f=-4.7!) USER MOD Single : A 35 MET CE :methyl -169:sc= -3.78! (180deg=-4.72!) USER MOD Single : A 36 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.5!) USER MOD Single : A 38 THR OG1 : rot -150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= -1.61 (180deg=-2.08!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 46 MET CE :methyl -143:sc= -0.125 (180deg=-1.53) USER MOD Single : A 52 ASN :FLIP amide:sc= -5.32! C(o=-6.5!,f=-5.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-1!) USER MOD Single : A 67 SER OG : rot 100:sc= 0.347 USER MOD Single : A 77 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.39) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : B 5 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.016) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.499 F(o=-4.4!,f=-0.5) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.627 -6.545 -5.933 1.00 0.00 N ATOM 95 CA THR A 8 -9.162 -5.510 -5.059 1.00 0.00 C ATOM 96 C THR A 8 -10.232 -4.704 -5.781 1.00 0.00 C ATOM 97 O THR A 8 -11.202 -4.258 -5.168 1.00 0.00 O ATOM 98 CB THR A 8 -8.041 -4.583 -4.580 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.561 -3.555 -3.755 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.277 -3.924 -5.708 1.00 0.00 C ATOM 0 HA THR A 8 -9.613 -5.993 -4.192 1.00 0.00 H new ATOM 0 HB THR A 8 -7.354 -5.226 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.924 -2.811 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.499 -3.282 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.820 -4.690 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.961 -3.324 -6.309 1.00 0.00 H new ATOM 108 N ALA A 9 -10.063 -4.537 -7.090 1.00 0.00 N ATOM 109 CA ALA A 9 -11.054 -3.841 -7.896 1.00 0.00 C ATOM 110 C ALA A 9 -12.389 -4.564 -7.796 1.00 0.00 C ATOM 111 O ALA A 9 -13.450 -3.940 -7.740 1.00 0.00 O ATOM 112 CB ALA A 9 -10.600 -3.747 -9.344 1.00 0.00 C ATOM 0 H ALA A 9 -9.253 -4.873 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.171 -2.826 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.356 -3.223 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.658 -3.201 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.460 -4.750 -9.747 1.00 0.00 H new ATOM 118 N SER A 10 -12.319 -5.891 -7.740 1.00 0.00 N ATOM 119 CA SER A 10 -13.507 -6.714 -7.585 1.00 0.00 C ATOM 120 C SER A 10 -14.087 -6.516 -6.192 1.00 0.00 C ATOM 121 O SER A 10 -15.305 -6.492 -6.013 1.00 0.00 O ATOM 122 CB SER A 10 -13.171 -8.187 -7.816 1.00 0.00 C ATOM 123 OG SER A 10 -14.321 -8.920 -8.202 1.00 0.00 O ATOM 0 H SER A 10 -11.447 -6.418 -7.800 1.00 0.00 H new ATOM 0 HA SER A 10 -14.247 -6.412 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.406 -8.272 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.753 -8.615 -6.905 1.00 0.00 H new ATOM 0 HG SER A 10 -14.078 -9.859 -8.345 1.00 0.00 H new ATOM 129 N MET A 11 -13.204 -6.331 -5.211 1.00 0.00 N ATOM 130 CA MET A 11 -13.637 -6.077 -3.844 1.00 0.00 C ATOM 131 C MET A 11 -14.383 -4.755 -3.773 1.00 0.00 C ATOM 132 O MET A 11 -15.358 -4.621 -3.040 1.00 0.00 O ATOM 133 CB MET A 11 -12.443 -6.038 -2.890 1.00 0.00 C ATOM 134 CG MET A 11 -11.536 -7.250 -2.999 1.00 0.00 C ATOM 135 SD MET A 11 -10.902 -7.795 -1.401 1.00 0.00 S ATOM 136 CE MET A 11 -9.598 -6.596 -1.121 1.00 0.00 C ATOM 0 H MET A 11 -12.192 -6.353 -5.339 1.00 0.00 H new ATOM 0 HA MET A 11 -14.299 -6.889 -3.542 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.859 -5.139 -3.089 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.809 -5.960 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.085 -8.068 -3.465 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.699 -7.013 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.617 -6.275 -0.080 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.632 -7.050 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.751 -5.733 -1.769 1.00 0.00 H new ATOM 146 N LEU A 12 -13.927 -3.790 -4.567 1.00 0.00 N ATOM 147 CA LEU A 12 -14.554 -2.477 -4.617 1.00 0.00 C ATOM 148 C LEU A 12 -16.049 -2.620 -4.863 1.00 0.00 C ATOM 149 O LEU A 12 -16.867 -2.024 -4.163 1.00 0.00 O ATOM 150 CB LEU A 12 -13.922 -1.641 -5.732 1.00 0.00 C ATOM 151 CG LEU A 12 -12.982 -0.523 -5.272 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.847 -1.077 -4.424 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.429 0.219 -6.478 1.00 0.00 C ATOM 0 H LEU A 12 -13.123 -3.896 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.399 -1.975 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.367 -2.308 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.721 -1.197 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.552 0.173 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.195 -0.261 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.258 -1.571 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.273 -1.796 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.761 1.013 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.877 -0.476 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.251 0.653 -7.047 1.00 0.00 H new ATOM 165 N ALA A 13 -16.392 -3.434 -5.854 1.00 0.00 N ATOM 166 CA ALA A 13 -17.785 -3.689 -6.190 1.00 0.00 C ATOM 167 C ALA A 13 -18.496 -4.433 -5.063 1.00 0.00 C ATOM 168 O ALA A 13 -19.689 -4.232 -4.832 1.00 0.00 O ATOM 169 CB ALA A 13 -17.874 -4.479 -7.486 1.00 0.00 C ATOM 0 H ALA A 13 -15.721 -3.930 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.284 -2.729 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.921 -4.664 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.411 -3.910 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.355 -5.430 -7.369 1.00 0.00 H new ATOM 175 N SER A 14 -17.761 -5.302 -4.373 1.00 0.00 N ATOM 176 CA SER A 14 -18.335 -6.093 -3.288 1.00 0.00 C ATOM 177 C SER A 14 -17.973 -5.521 -1.919 1.00 0.00 C ATOM 178 O SER A 14 -17.956 -6.245 -0.922 1.00 0.00 O ATOM 179 CB SER A 14 -17.854 -7.544 -3.384 1.00 0.00 C ATOM 180 OG SER A 14 -17.952 -8.027 -4.713 1.00 0.00 O ATOM 0 H SER A 14 -16.771 -5.476 -4.545 1.00 0.00 H new ATOM 0 HA SER A 14 -19.419 -6.057 -3.392 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.820 -7.611 -3.045 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.449 -8.172 -2.721 1.00 0.00 H new ATOM 0 HG SER A 14 -17.212 -7.669 -5.247 1.00 0.00 H new ATOM 186 N ALA A 15 -17.698 -4.222 -1.870 1.00 0.00 N ATOM 187 CA ALA A 15 -17.349 -3.566 -0.614 1.00 0.00 C ATOM 188 C ALA A 15 -18.034 -2.206 -0.490 1.00 0.00 C ATOM 189 O ALA A 15 -17.819 -1.319 -1.317 1.00 0.00 O ATOM 190 CB ALA A 15 -15.843 -3.407 -0.493 1.00 0.00 C ATOM 0 H ALA A 15 -17.710 -3.604 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.702 -4.200 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.604 -2.916 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.370 -4.389 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.473 -2.802 -1.321 1.00 0.00 H new ATOM 241 N GLU A 19 -16.360 0.327 3.729 1.00 0.00 N ATOM 242 CA GLU A 19 -15.459 -0.814 3.621 1.00 0.00 C ATOM 243 C GLU A 19 -14.188 -0.439 2.863 1.00 0.00 C ATOM 244 O GLU A 19 -13.439 -1.311 2.424 1.00 0.00 O ATOM 245 CB GLU A 19 -16.164 -1.972 2.910 1.00 0.00 C ATOM 246 CG GLU A 19 -15.635 -3.343 3.293 1.00 0.00 C ATOM 247 CD GLU A 19 -16.297 -3.896 4.540 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.014 -3.381 5.642 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.100 -4.845 4.415 1.00 0.00 O ATOM 0 HA GLU A 19 -15.180 -1.123 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.230 -1.929 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.060 -1.841 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.794 -4.034 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.559 -3.281 3.455 1.00 0.00 H new ATOM 256 N GLN A 20 -13.951 0.862 2.712 1.00 0.00 N ATOM 257 CA GLN A 20 -12.774 1.348 2.002 1.00 0.00 C ATOM 258 C GLN A 20 -11.495 0.847 2.668 1.00 0.00 C ATOM 259 O GLN A 20 -10.617 0.285 2.013 1.00 0.00 O ATOM 260 CB GLN A 20 -12.790 2.888 1.920 1.00 0.00 C ATOM 261 CG GLN A 20 -11.900 3.596 2.929 1.00 0.00 C ATOM 262 CD GLN A 20 -12.605 3.836 4.249 1.00 0.00 C ATOM 263 OE1 GLN A 20 -11.998 3.376 5.334 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -13.688 4.420 4.290 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.559 1.597 3.072 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.798 0.954 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.485 3.186 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.815 3.233 2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.004 3.000 3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.573 4.550 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.118 4.757 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.155 4.567 5.185 1.00 0.00 H new ATOM 273 N LYS A 21 -11.420 1.017 3.979 1.00 0.00 N ATOM 274 CA LYS A 21 -10.260 0.605 4.747 1.00 0.00 C ATOM 275 C LYS A 21 -9.971 -0.881 4.554 1.00 0.00 C ATOM 276 O LYS A 21 -8.854 -1.337 4.783 1.00 0.00 O ATOM 277 CB LYS A 21 -10.509 0.917 6.222 1.00 0.00 C ATOM 278 CG LYS A 21 -9.483 0.320 7.161 1.00 0.00 C ATOM 279 CD LYS A 21 -9.949 -0.999 7.761 1.00 0.00 C ATOM 280 CE LYS A 21 -11.394 -0.941 8.240 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.918 -2.289 8.598 1.00 0.00 N ATOM 0 H LYS A 21 -12.160 1.443 4.537 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.386 1.154 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.523 1.999 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.497 0.549 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.549 0.162 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.272 1.027 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.847 -1.789 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.302 -1.263 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.462 -0.284 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.018 -0.505 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.904 -2.204 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.877 -2.910 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.339 -2.695 9.361 1.00 0.00 H new ATOM 295 N GLN A 22 -10.986 -1.638 4.155 1.00 0.00 N ATOM 296 CA GLN A 22 -10.822 -3.071 3.933 1.00 0.00 C ATOM 297 C GLN A 22 -10.028 -3.350 2.662 1.00 0.00 C ATOM 298 O GLN A 22 -8.861 -3.739 2.717 1.00 0.00 O ATOM 299 CB GLN A 22 -12.184 -3.763 3.850 1.00 0.00 C ATOM 300 CG GLN A 22 -12.088 -5.237 3.488 1.00 0.00 C ATOM 301 CD GLN A 22 -13.298 -5.733 2.722 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.320 -5.476 1.419 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -14.204 -6.340 3.294 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.927 -1.287 3.979 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.267 -3.471 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.693 -3.664 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.798 -3.253 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.192 -5.402 2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.975 -5.824 4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.146 -6.516 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.012 -6.667 2.765 1.00 0.00 H new ATOM 312 N MET A 23 -10.690 -3.200 1.520 1.00 0.00 N ATOM 313 CA MET A 23 -10.077 -3.498 0.228 1.00 0.00 C ATOM 314 C MET A 23 -8.987 -2.496 -0.151 1.00 0.00 C ATOM 315 O MET A 23 -7.825 -2.654 0.222 1.00 0.00 O ATOM 316 CB MET A 23 -11.140 -3.553 -0.881 1.00 0.00 C ATOM 317 CG MET A 23 -12.497 -3.002 -0.475 1.00 0.00 C ATOM 318 SD MET A 23 -12.519 -1.201 -0.376 1.00 0.00 S ATOM 319 CE MET A 23 -13.847 -0.812 -1.513 1.00 0.00 C ATOM 0 H MET A 23 -11.654 -2.873 1.461 1.00 0.00 H new ATOM 0 HA MET A 23 -9.605 -4.475 0.329 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.777 -2.994 -1.744 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.262 -4.588 -1.200 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.247 -3.331 -1.194 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.778 -3.418 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.564 0.045 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.037 -1.670 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.750 -0.574 -0.950 1.00 0.00 H new ATOM 329 N LEU A 24 -9.369 -1.495 -0.941 1.00 0.00 N ATOM 330 CA LEU A 24 -8.429 -0.511 -1.467 1.00 0.00 C ATOM 331 C LEU A 24 -7.739 0.306 -0.384 1.00 0.00 C ATOM 332 O LEU A 24 -6.977 1.223 -0.696 1.00 0.00 O ATOM 333 CB LEU A 24 -9.154 0.449 -2.425 1.00 0.00 C ATOM 334 CG LEU A 24 -10.547 0.938 -1.996 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.506 1.578 -0.618 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.093 1.924 -3.018 1.00 0.00 C ATOM 0 H LEU A 24 -10.335 -1.344 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.658 -1.077 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.519 1.322 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.251 -0.045 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.208 0.073 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.506 1.914 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.154 0.849 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.828 2.432 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.080 2.264 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.422 2.779 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.169 1.436 -3.990 1.00 0.00 H new ATOM 348 N GLY A 25 -8.028 0.025 0.879 1.00 0.00 N ATOM 349 CA GLY A 25 -7.487 0.859 1.926 1.00 0.00 C ATOM 350 C GLY A 25 -8.069 2.238 1.777 1.00 0.00 C ATOM 351 O GLY A 25 -9.283 2.413 1.826 1.00 0.00 O ATOM 0 H GLY A 25 -8.615 -0.749 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.732 0.447 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.400 0.896 1.859 1.00 0.00 H new ATOM 355 N GLU A 26 -7.223 3.208 1.508 1.00 0.00 N ATOM 356 CA GLU A 26 -7.708 4.509 1.112 1.00 0.00 C ATOM 357 C GLU A 26 -8.172 4.409 -0.341 1.00 0.00 C ATOM 358 O GLU A 26 -9.364 4.445 -0.646 1.00 0.00 O ATOM 359 CB GLU A 26 -6.615 5.565 1.267 1.00 0.00 C ATOM 360 CG GLU A 26 -6.684 6.315 2.586 1.00 0.00 C ATOM 361 CD GLU A 26 -6.067 5.534 3.728 1.00 0.00 C ATOM 362 OE1 GLU A 26 -4.825 5.410 3.758 1.00 0.00 O ATOM 363 OE2 GLU A 26 -6.825 5.043 4.590 1.00 0.00 O ATOM 0 H GLU A 26 -6.208 3.122 1.556 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.538 4.814 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.641 5.084 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.691 6.279 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.171 7.271 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.725 6.536 2.821 1.00 0.00 H new ATOM 370 N ARG A 27 -7.188 4.238 -1.214 1.00 0.00 N ATOM 371 CA ARG A 27 -7.388 4.020 -2.642 1.00 0.00 C ATOM 372 C ARG A 27 -6.112 3.392 -3.192 1.00 0.00 C ATOM 373 O ARG A 27 -5.921 3.257 -4.399 1.00 0.00 O ATOM 374 CB ARG A 27 -7.678 5.352 -3.348 1.00 0.00 C ATOM 375 CG ARG A 27 -7.776 5.259 -4.862 1.00 0.00 C ATOM 376 CD ARG A 27 -8.702 4.139 -5.297 1.00 0.00 C ATOM 377 NE ARG A 27 -9.089 4.268 -6.699 1.00 0.00 N ATOM 378 CZ ARG A 27 -9.741 3.329 -7.377 1.00 0.00 C ATOM 379 NH1 ARG A 27 -10.085 2.195 -6.783 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.056 3.527 -8.649 1.00 0.00 N ATOM 0 H ARG A 27 -6.205 4.247 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.240 3.363 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.613 5.757 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.892 6.063 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.138 6.206 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.784 5.094 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.209 3.179 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.595 4.142 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.845 5.130 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.849 2.041 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.585 1.477 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.798 4.400 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.556 2.806 -9.169 1.00 0.00 H new ATOM 394 N LEU A 28 -5.235 3.028 -2.263 1.00 0.00 N ATOM 395 CA LEU A 28 -3.895 2.564 -2.586 1.00 0.00 C ATOM 396 C LEU A 28 -3.868 1.342 -3.495 1.00 0.00 C ATOM 397 O LEU A 28 -3.511 1.452 -4.668 1.00 0.00 O ATOM 398 CB LEU A 28 -3.139 2.271 -1.290 1.00 0.00 C ATOM 399 CG LEU A 28 -2.250 3.419 -0.800 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.552 3.750 0.653 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.783 3.072 -0.976 1.00 0.00 C ATOM 0 H LEU A 28 -5.436 3.047 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.410 3.363 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.861 2.029 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.520 1.386 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.468 4.301 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.910 4.568 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.596 4.048 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.367 2.872 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.168 3.900 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.550 2.175 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.576 2.891 -2.031 1.00 0.00 H new ATOM 413 N PHE A 29 -4.183 0.178 -2.940 1.00 0.00 N ATOM 414 CA PHE A 29 -4.094 -1.079 -3.682 1.00 0.00 C ATOM 415 C PHE A 29 -4.538 -0.959 -5.148 1.00 0.00 C ATOM 416 O PHE A 29 -3.834 -1.436 -6.027 1.00 0.00 O ATOM 417 CB PHE A 29 -4.867 -2.192 -2.974 1.00 0.00 C ATOM 418 CG PHE A 29 -4.061 -3.454 -2.855 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.407 -3.975 -3.960 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.909 -4.084 -1.632 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.642 -5.117 -3.854 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.141 -5.227 -1.520 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.517 -5.749 -2.636 1.00 0.00 C ATOM 0 H PHE A 29 -4.503 0.076 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.036 -1.338 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.159 -1.854 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.786 -2.400 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.498 -3.480 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.395 -3.678 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.142 -5.516 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.029 -5.711 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.931 -6.653 -2.554 1.00 0.00 H new ATOM 433 N PRO A 30 -5.690 -0.321 -5.451 1.00 0.00 N ATOM 434 CA PRO A 30 -6.175 -0.192 -6.838 1.00 0.00 C ATOM 435 C PRO A 30 -5.179 0.499 -7.767 1.00 0.00 C ATOM 436 O PRO A 30 -4.980 0.066 -8.904 1.00 0.00 O ATOM 437 CB PRO A 30 -7.435 0.659 -6.705 1.00 0.00 C ATOM 438 CG PRO A 30 -7.885 0.450 -5.307 1.00 0.00 C ATOM 439 CD PRO A 30 -6.633 0.274 -4.491 1.00 0.00 C ATOM 0 HA PRO A 30 -6.340 -1.173 -7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.225 1.711 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.199 0.349 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.465 1.302 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.527 -0.427 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.267 1.225 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.799 -0.377 -3.633 1.00 0.00 H new ATOM 447 N LEU A 31 -4.546 1.563 -7.282 1.00 0.00 N ATOM 448 CA LEU A 31 -3.588 2.305 -8.102 1.00 0.00 C ATOM 449 C LEU A 31 -2.332 1.476 -8.304 1.00 0.00 C ATOM 450 O LEU A 31 -1.806 1.374 -9.415 1.00 0.00 O ATOM 451 CB LEU A 31 -3.224 3.645 -7.449 1.00 0.00 C ATOM 452 CG LEU A 31 -4.195 4.126 -6.377 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.444 4.650 -5.163 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.117 5.194 -6.933 1.00 0.00 C ATOM 0 H LEU A 31 -4.675 1.929 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.052 2.508 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.232 3.558 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.160 4.405 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.801 3.276 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.158 4.988 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.827 3.854 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.809 5.484 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.803 5.525 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.525 6.041 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.687 4.785 -7.767 1.00 0.00 H new ATOM 466 N ILE A 32 -1.877 0.850 -7.231 1.00 0.00 N ATOM 467 CA ILE A 32 -0.713 -0.007 -7.307 1.00 0.00 C ATOM 468 C ILE A 32 -1.087 -1.340 -7.935 1.00 0.00 C ATOM 469 O ILE A 32 -0.222 -2.115 -8.325 1.00 0.00 O ATOM 470 CB ILE A 32 -0.085 -0.255 -5.928 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.558 0.806 -4.928 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.431 -0.247 -6.042 1.00 0.00 C ATOM 473 CD1 ILE A 32 -0.026 0.615 -3.527 1.00 0.00 C ATOM 0 H ILE A 32 -2.295 0.921 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 32 0.024 0.506 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.403 -1.232 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.256 1.789 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.647 0.799 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.871 -0.423 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.748 -1.032 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.762 0.720 -6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.407 1.407 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.349 -0.353 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.063 0.653 -3.543 1.00 0.00 H new ATOM 485 N GLN A 33 -2.388 -1.615 -7.996 1.00 0.00 N ATOM 486 CA GLN A 33 -2.873 -2.833 -8.632 1.00 0.00 C ATOM 487 C GLN A 33 -2.502 -2.794 -10.103 1.00 0.00 C ATOM 488 O GLN A 33 -2.154 -3.808 -10.705 1.00 0.00 O ATOM 489 CB GLN A 33 -4.383 -2.979 -8.452 1.00 0.00 C ATOM 490 CG GLN A 33 -4.994 -4.104 -9.275 1.00 0.00 C ATOM 491 CD GLN A 33 -6.427 -3.819 -9.678 1.00 0.00 C ATOM 492 OE1 GLN A 33 -7.366 -4.162 -8.958 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.603 -3.187 -10.832 1.00 0.00 N ATOM 0 H GLN A 33 -3.119 -1.014 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.408 -3.700 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.599 -3.154 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.864 -2.040 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.393 -4.262 -10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.959 -5.030 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.796 -2.922 -11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.545 -2.967 -11.154 1.00 0.00 H new ATOM 502 N ALA A 34 -2.537 -1.591 -10.658 1.00 0.00 N ATOM 503 CA ALA A 34 -2.098 -1.374 -12.028 1.00 0.00 C ATOM 504 C ALA A 34 -0.582 -1.510 -12.081 1.00 0.00 C ATOM 505 O ALA A 34 -0.014 -1.966 -13.074 1.00 0.00 O ATOM 506 CB ALA A 34 -2.537 -0.006 -12.525 1.00 0.00 C ATOM 0 H ALA A 34 -2.865 -0.751 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.554 -2.118 -12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.198 0.134 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.624 0.062 -12.490 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.104 0.768 -11.891 1.00 0.00 H new ATOM 512 N MET A 35 0.053 -1.162 -10.963 1.00 0.00 N ATOM 513 CA MET A 35 1.501 -1.278 -10.816 1.00 0.00 C ATOM 514 C MET A 35 1.843 -2.540 -10.033 1.00 0.00 C ATOM 515 O MET A 35 2.891 -2.628 -9.393 1.00 0.00 O ATOM 516 CB MET A 35 2.052 -0.050 -10.093 1.00 0.00 C ATOM 517 CG MET A 35 1.438 1.250 -10.578 1.00 0.00 C ATOM 518 SD MET A 35 2.101 2.699 -9.744 1.00 0.00 S ATOM 519 CE MET A 35 0.602 3.649 -9.513 1.00 0.00 C ATOM 0 H MET A 35 -0.420 -0.794 -10.138 1.00 0.00 H new ATOM 0 HA MET A 35 1.955 -1.340 -11.805 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.871 -0.154 -9.023 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.132 -0.009 -10.231 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.607 1.347 -11.650 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.359 1.214 -10.427 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.857 4.658 -9.188 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.054 3.699 -10.454 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.019 3.170 -8.756 1.00 0.00 H new ATOM 529 N HIS A 36 0.932 -3.510 -10.080 1.00 0.00 N ATOM 530 CA HIS A 36 1.096 -4.763 -9.352 1.00 0.00 C ATOM 531 C HIS A 36 2.290 -5.587 -9.853 1.00 0.00 C ATOM 532 O HIS A 36 2.909 -6.290 -9.053 1.00 0.00 O ATOM 533 CB HIS A 36 -0.198 -5.585 -9.396 1.00 0.00 C ATOM 534 CG HIS A 36 -0.195 -6.704 -10.392 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.430 -7.900 -10.127 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.764 -6.766 -11.621 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.238 -8.654 -11.194 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.480 -8.009 -12.124 1.00 0.00 N ATOM 0 H HIS A 36 0.068 -3.450 -10.619 1.00 0.00 H new ATOM 0 HA HIS A 36 1.312 -4.504 -8.316 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.383 -5.999 -8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.029 -4.917 -9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.331 -5.987 -12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.612 -9.661 -11.303 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.762 -8.374 -13.034 1.00 0.00 H new ATOM 546 N PRO A 37 2.653 -5.520 -11.165 1.00 0.00 N ATOM 547 CA PRO A 37 3.808 -6.256 -11.690 1.00 0.00 C ATOM 548 C PRO A 37 4.973 -6.262 -10.707 1.00 0.00 C ATOM 549 O PRO A 37 5.766 -7.204 -10.671 1.00 0.00 O ATOM 550 CB PRO A 37 4.164 -5.474 -12.950 1.00 0.00 C ATOM 551 CG PRO A 37 2.854 -4.970 -13.449 1.00 0.00 C ATOM 552 CD PRO A 37 1.998 -4.728 -12.230 1.00 0.00 C ATOM 0 HA PRO A 37 3.589 -7.308 -11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.848 -4.655 -12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.654 -6.109 -13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.984 -4.051 -14.021 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.386 -5.696 -14.114 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.960 -3.669 -11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.971 -5.053 -12.394 1.00 0.00 H new ATOM 560 N THR A 38 5.037 -5.224 -9.876 1.00 0.00 N ATOM 561 CA THR A 38 6.042 -5.146 -8.829 1.00 0.00 C ATOM 562 C THR A 38 5.629 -6.049 -7.667 1.00 0.00 C ATOM 563 O THR A 38 5.849 -7.259 -7.719 1.00 0.00 O ATOM 564 CB THR A 38 6.221 -3.698 -8.361 1.00 0.00 C ATOM 565 OG1 THR A 38 6.358 -2.829 -9.471 1.00 0.00 O ATOM 566 CG2 THR A 38 7.428 -3.499 -7.471 1.00 0.00 C ATOM 0 H THR A 38 4.402 -4.426 -9.911 1.00 0.00 H new ATOM 0 HA THR A 38 7.000 -5.487 -9.221 1.00 0.00 H new ATOM 0 HB THR A 38 5.325 -3.468 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.917 -2.064 -9.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.494 -2.452 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.330 -4.121 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.330 -3.781 -8.013 1.00 0.00 H new ATOM 574 N LEU A 39 4.971 -5.480 -6.654 1.00 0.00 N ATOM 575 CA LEU A 39 4.491 -6.274 -5.522 1.00 0.00 C ATOM 576 C LEU A 39 3.294 -5.624 -4.831 1.00 0.00 C ATOM 577 O LEU A 39 3.221 -5.628 -3.602 1.00 0.00 O ATOM 578 CB LEU A 39 5.598 -6.488 -4.481 1.00 0.00 C ATOM 579 CG LEU A 39 6.892 -7.111 -5.000 1.00 0.00 C ATOM 580 CD1 LEU A 39 7.976 -6.053 -5.077 1.00 0.00 C ATOM 581 CD2 LEU A 39 7.326 -8.265 -4.110 1.00 0.00 C ATOM 0 H LEU A 39 4.760 -4.484 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 39 4.183 -7.234 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.837 -5.525 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.205 -7.123 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 39 6.717 -7.507 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.897 -6.502 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.662 -5.259 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.149 -5.637 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.250 -8.695 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.492 -7.900 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.548 -9.028 -4.098 1.00 0.00 H new ATOM 593 N ALA A 40 2.344 -5.090 -5.609 1.00 0.00 N ATOM 594 CA ALA A 40 1.143 -4.485 -5.021 1.00 0.00 C ATOM 595 C ALA A 40 0.633 -5.359 -3.878 1.00 0.00 C ATOM 596 O ALA A 40 0.141 -6.467 -4.097 1.00 0.00 O ATOM 597 CB ALA A 40 0.053 -4.276 -6.069 1.00 0.00 C ATOM 0 H ALA A 40 2.381 -5.064 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 40 1.409 -3.503 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.822 -3.826 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.424 -3.616 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.222 -5.237 -6.504 1.00 0.00 H new ATOM 603 N GLY A 41 0.852 -4.890 -2.656 1.00 0.00 N ATOM 604 CA GLY A 41 0.484 -5.643 -1.476 1.00 0.00 C ATOM 605 C GLY A 41 1.035 -5.018 -0.214 1.00 0.00 C ATOM 606 O GLY A 41 0.277 -4.579 0.651 1.00 0.00 O ATOM 0 H GLY A 41 1.285 -3.987 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.602 -5.702 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.854 -6.664 -1.567 1.00 0.00 H new ATOM 610 N LYS A 42 2.361 -4.976 -0.102 1.00 0.00 N ATOM 611 CA LYS A 42 2.997 -4.372 1.060 1.00 0.00 C ATOM 612 C LYS A 42 2.978 -2.854 0.954 1.00 0.00 C ATOM 613 O LYS A 42 2.929 -2.153 1.965 1.00 0.00 O ATOM 614 CB LYS A 42 4.440 -4.867 1.214 1.00 0.00 C ATOM 615 CG LYS A 42 4.993 -4.823 2.643 1.00 0.00 C ATOM 616 CD LYS A 42 3.940 -4.466 3.690 1.00 0.00 C ATOM 617 CE LYS A 42 3.321 -5.708 4.312 1.00 0.00 C ATOM 618 NZ LYS A 42 2.579 -6.525 3.312 1.00 0.00 N ATOM 0 H LYS A 42 3.008 -5.350 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 42 2.431 -4.671 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.497 -5.893 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.084 -4.266 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.424 -5.794 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.802 -4.094 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.395 -3.856 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.159 -3.862 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.105 -6.315 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.643 -5.412 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.231 -7.395 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.773 -5.979 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.214 -6.773 2.526 1.00 0.00 H new ATOM 632 N ILE A 43 3.022 -2.351 -0.277 1.00 0.00 N ATOM 633 CA ILE A 43 3.016 -0.915 -0.513 1.00 0.00 C ATOM 634 C ILE A 43 1.833 -0.249 0.172 1.00 0.00 C ATOM 635 O ILE A 43 2.009 0.598 1.047 1.00 0.00 O ATOM 636 CB ILE A 43 2.960 -0.578 -2.011 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.122 -1.228 -2.756 1.00 0.00 C ATOM 638 CG2 ILE A 43 2.986 0.929 -2.201 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.105 -0.961 -4.245 1.00 0.00 C ATOM 0 H ILE A 43 3.062 -2.918 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 43 3.949 -0.536 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 43 2.031 -0.973 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.061 -0.863 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.096 -2.304 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.946 1.162 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.127 1.374 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.904 1.334 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.958 -1.452 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.182 -1.351 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.162 0.113 -4.423 1.00 0.00 H new ATOM 651 N THR A 44 0.626 -0.632 -0.238 1.00 0.00 N ATOM 652 CA THR A 44 -0.586 -0.062 0.330 1.00 0.00 C ATOM 653 C THR A 44 -0.496 -0.044 1.848 1.00 0.00 C ATOM 654 O THR A 44 -0.825 0.953 2.485 1.00 0.00 O ATOM 655 CB THR A 44 -1.812 -0.858 -0.124 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.001 -0.285 0.393 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.781 -2.309 0.300 1.00 0.00 C ATOM 0 H THR A 44 0.465 -1.334 -0.960 1.00 0.00 H new ATOM 0 HA THR A 44 -0.690 0.963 -0.025 1.00 0.00 H new ATOM 0 HB THR A 44 -1.792 -0.817 -1.213 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.774 -0.807 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.680 -2.811 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.902 -2.794 -0.125 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.738 -2.369 1.387 1.00 0.00 H new ATOM 665 N GLY A 45 0.033 -1.125 2.410 1.00 0.00 N ATOM 666 CA GLY A 45 0.196 -1.214 3.848 1.00 0.00 C ATOM 667 C GLY A 45 0.951 -0.035 4.429 1.00 0.00 C ATOM 668 O GLY A 45 0.406 0.724 5.228 1.00 0.00 O ATOM 0 H GLY A 45 0.353 -1.944 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.786 -1.277 4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.726 -2.135 4.092 1.00 0.00 H new ATOM 672 N MET A 46 2.214 0.112 4.037 1.00 0.00 N ATOM 673 CA MET A 46 3.058 1.192 4.550 1.00 0.00 C ATOM 674 C MET A 46 2.419 2.557 4.320 1.00 0.00 C ATOM 675 O MET A 46 2.318 3.367 5.242 1.00 0.00 O ATOM 676 CB MET A 46 4.449 1.167 3.901 1.00 0.00 C ATOM 677 CG MET A 46 4.783 -0.122 3.170 1.00 0.00 C ATOM 678 SD MET A 46 6.227 -0.957 3.856 1.00 0.00 S ATOM 679 CE MET A 46 7.116 -1.382 2.361 1.00 0.00 C ATOM 0 H MET A 46 2.677 -0.502 3.366 1.00 0.00 H new ATOM 0 HA MET A 46 3.162 1.028 5.623 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.523 1.997 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.199 1.336 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.925 -0.793 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.961 0.098 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.587 -2.358 2.482 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.421 -1.416 1.522 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.882 -0.631 2.167 1.00 0.00 H new ATOM 689 N LEU A 47 2.009 2.813 3.085 1.00 0.00 N ATOM 690 CA LEU A 47 1.421 4.098 2.730 1.00 0.00 C ATOM 691 C LEU A 47 -0.037 4.195 3.172 1.00 0.00 C ATOM 692 O LEU A 47 -0.712 5.182 2.880 1.00 0.00 O ATOM 693 CB LEU A 47 1.524 4.330 1.218 1.00 0.00 C ATOM 694 CG LEU A 47 2.949 4.464 0.660 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.823 5.298 1.584 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.567 3.093 0.436 1.00 0.00 C ATOM 0 H LEU A 47 2.072 2.149 2.313 1.00 0.00 H new ATOM 0 HA LEU A 47 1.982 4.871 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.030 3.503 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.970 5.235 0.969 1.00 0.00 H new ATOM 0 HG LEU A 47 2.887 4.977 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.826 5.376 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.395 6.295 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.876 4.822 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.576 3.209 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.608 2.553 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.961 2.532 -0.276 1.00 0.00 H new ATOM 708 N LEU A 48 -0.523 3.177 3.882 1.00 0.00 N ATOM 709 CA LEU A 48 -1.903 3.186 4.361 1.00 0.00 C ATOM 710 C LEU A 48 -2.105 4.287 5.395 1.00 0.00 C ATOM 711 O LEU A 48 -3.235 4.641 5.729 1.00 0.00 O ATOM 712 CB LEU A 48 -2.301 1.824 4.943 1.00 0.00 C ATOM 713 CG LEU A 48 -3.677 1.299 4.509 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.674 2.435 4.337 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.560 0.506 3.219 1.00 0.00 C ATOM 0 H LEU A 48 0.011 2.346 4.135 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.550 3.387 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.545 1.092 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.284 1.894 6.031 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.045 0.642 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.638 2.030 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.788 2.965 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.311 3.125 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.544 0.141 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.161 1.147 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.890 -0.340 3.372 1.00 0.00 H new ATOM 727 N GLU A 49 -1.001 4.867 5.860 1.00 0.00 N ATOM 728 CA GLU A 49 -1.063 5.967 6.813 1.00 0.00 C ATOM 729 C GLU A 49 -1.499 7.251 6.111 1.00 0.00 C ATOM 730 O GLU A 49 -1.382 8.346 6.663 1.00 0.00 O ATOM 731 CB GLU A 49 0.299 6.168 7.479 1.00 0.00 C ATOM 732 CG GLU A 49 0.670 5.057 8.447 1.00 0.00 C ATOM 733 CD GLU A 49 0.847 5.557 9.868 1.00 0.00 C ATOM 734 OE1 GLU A 49 0.292 6.628 10.195 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.538 4.877 10.654 1.00 0.00 O ATOM 0 H GLU A 49 -0.056 4.593 5.592 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.796 5.721 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.065 6.237 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.297 7.118 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.105 4.291 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.594 4.584 8.114 1.00 0.00 H new ATOM 742 N ILE A 50 -2.002 7.101 4.888 1.00 0.00 N ATOM 743 CA ILE A 50 -2.454 8.233 4.091 1.00 0.00 C ATOM 744 C ILE A 50 -3.896 8.607 4.438 1.00 0.00 C ATOM 745 O ILE A 50 -4.654 7.787 4.955 1.00 0.00 O ATOM 746 CB ILE A 50 -2.327 7.920 2.579 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.432 8.953 1.896 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.690 7.864 1.899 1.00 0.00 C ATOM 749 CD1 ILE A 50 -1.038 8.566 0.488 1.00 0.00 C ATOM 0 H ILE A 50 -2.106 6.197 4.426 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.816 9.085 4.325 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.870 6.935 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.950 9.912 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.531 9.093 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.559 7.642 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.295 7.084 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.191 8.826 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.403 9.343 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.493 7.622 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.934 8.454 -0.123 1.00 0.00 H new ATOM 761 N ASP A 51 -4.259 9.856 4.162 1.00 0.00 N ATOM 762 CA ASP A 51 -5.602 10.349 4.444 1.00 0.00 C ATOM 763 C ASP A 51 -6.634 9.749 3.497 1.00 0.00 C ATOM 764 O ASP A 51 -6.312 9.374 2.371 1.00 0.00 O ATOM 765 CB ASP A 51 -5.639 11.869 4.310 1.00 0.00 C ATOM 766 CG ASP A 51 -5.038 12.575 5.509 1.00 0.00 C ATOM 767 OD1 ASP A 51 -3.813 12.449 5.720 1.00 0.00 O ATOM 768 OD2 ASP A 51 -5.791 13.256 6.236 1.00 0.00 O ATOM 0 H ASP A 51 -3.638 10.547 3.741 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.850 10.051 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.098 12.164 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.672 12.194 4.182 1.00 0.00 H new ATOM 773 N ASN A 52 -7.890 9.726 3.938 1.00 0.00 N ATOM 774 CA ASN A 52 -8.978 9.250 3.099 1.00 0.00 C ATOM 775 C ASN A 52 -9.436 10.372 2.168 1.00 0.00 C ATOM 776 O ASN A 52 -10.013 10.128 1.111 1.00 0.00 O ATOM 777 CB ASN A 52 -10.145 8.751 3.955 1.00 0.00 C ATOM 778 CG ASN A 52 -10.018 7.278 4.306 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.017 6.487 3.923 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -9.033 6.855 4.912 1.00 0.00 N flip ATOM 0 H ASN A 52 -8.175 10.031 4.869 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.621 8.413 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.196 9.337 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.080 8.915 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.289 7.496 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.961 5.863 5.139 1.00 0.00 H new ATOM 787 N SER A 53 -9.160 11.609 2.566 1.00 0.00 N ATOM 788 CA SER A 53 -9.481 12.764 1.738 1.00 0.00 C ATOM 789 C SER A 53 -8.495 12.858 0.578 1.00 0.00 C ATOM 790 O SER A 53 -8.864 13.189 -0.553 1.00 0.00 O ATOM 791 CB SER A 53 -9.441 14.049 2.568 1.00 0.00 C ATOM 792 OG SER A 53 -10.742 14.579 2.751 1.00 0.00 O ATOM 0 H SER A 53 -8.716 11.837 3.455 1.00 0.00 H new ATOM 0 HA SER A 53 -10.489 12.641 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.988 13.845 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.811 14.787 2.071 1.00 0.00 H new ATOM 0 HG SER A 53 -10.689 15.399 3.286 1.00 0.00 H new ATOM 798 N GLU A 54 -7.240 12.524 0.865 1.00 0.00 N ATOM 799 CA GLU A 54 -6.191 12.551 -0.143 1.00 0.00 C ATOM 800 C GLU A 54 -6.330 11.361 -1.082 1.00 0.00 C ATOM 801 O GLU A 54 -5.855 11.394 -2.217 1.00 0.00 O ATOM 802 CB GLU A 54 -4.813 12.531 0.522 1.00 0.00 C ATOM 803 CG GLU A 54 -4.320 13.906 0.943 1.00 0.00 C ATOM 804 CD GLU A 54 -3.002 14.279 0.293 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.234 13.360 -0.062 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.737 15.490 0.140 1.00 0.00 O ATOM 0 H GLU A 54 -6.927 12.231 1.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.291 13.470 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.851 11.884 1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.092 12.091 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.072 14.652 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.206 13.930 2.027 1.00 0.00 H new ATOM 813 N LEU A 55 -6.998 10.316 -0.604 1.00 0.00 N ATOM 814 CA LEU A 55 -7.228 9.128 -1.411 1.00 0.00 C ATOM 815 C LEU A 55 -8.082 9.481 -2.620 1.00 0.00 C ATOM 816 O LEU A 55 -7.747 9.139 -3.754 1.00 0.00 O ATOM 817 CB LEU A 55 -7.885 8.024 -0.563 1.00 0.00 C ATOM 818 CG LEU A 55 -9.422 7.956 -0.578 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.935 7.266 -1.834 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.931 7.230 0.657 1.00 0.00 C ATOM 0 H LEU A 55 -7.388 10.270 0.337 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.272 8.746 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.500 7.062 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.561 8.152 0.470 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.799 8.979 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.024 7.235 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.605 7.819 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.544 6.250 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.020 7.190 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.531 6.216 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.608 7.763 1.551 1.00 0.00 H new ATOM 832 N LEU A 56 -9.169 10.198 -2.365 1.00 0.00 N ATOM 833 CA LEU A 56 -10.070 10.628 -3.425 1.00 0.00 C ATOM 834 C LEU A 56 -9.304 11.404 -4.489 1.00 0.00 C ATOM 835 O LEU A 56 -9.483 11.178 -5.686 1.00 0.00 O ATOM 836 CB LEU A 56 -11.191 11.493 -2.845 1.00 0.00 C ATOM 837 CG LEU A 56 -12.219 11.991 -3.863 1.00 0.00 C ATOM 838 CD1 LEU A 56 -13.014 10.827 -4.431 1.00 0.00 C ATOM 839 CD2 LEU A 56 -13.147 13.015 -3.227 1.00 0.00 C ATOM 0 H LEU A 56 -9.448 10.495 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.511 9.745 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.711 10.920 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.744 12.356 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.686 12.474 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.740 11.200 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.337 10.130 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.536 10.314 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.871 13.358 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.673 12.558 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.563 13.863 -2.871 1.00 0.00 H new ATOM 851 N HIS A 57 -8.426 12.296 -4.040 1.00 0.00 N ATOM 852 CA HIS A 57 -7.613 13.096 -4.953 1.00 0.00 C ATOM 853 C HIS A 57 -6.769 12.203 -5.863 1.00 0.00 C ATOM 854 O HIS A 57 -6.631 12.472 -7.056 1.00 0.00 O ATOM 855 CB HIS A 57 -6.706 14.043 -4.163 1.00 0.00 C ATOM 856 CG HIS A 57 -7.260 15.426 -4.018 1.00 0.00 C ATOM 857 ND1 HIS A 57 -8.316 15.860 -4.784 1.00 0.00 N ATOM 858 CD2 HIS A 57 -6.874 16.427 -3.189 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.549 17.106 -4.408 1.00 0.00 C ATOM 860 NE2 HIS A 57 -7.699 17.491 -3.445 1.00 0.00 N ATOM 0 H HIS A 57 -8.259 12.484 -3.051 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.286 13.683 -5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.534 13.624 -3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.736 14.100 -4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.072 16.393 -2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.324 17.733 -4.823 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.672 18.403 -2.989 1.00 0.00 H new ATOM 868 N MET A 58 -6.208 11.142 -5.288 1.00 0.00 N ATOM 869 CA MET A 58 -5.381 10.200 -6.042 1.00 0.00 C ATOM 870 C MET A 58 -6.175 9.558 -7.173 1.00 0.00 C ATOM 871 O MET A 58 -5.645 9.305 -8.254 1.00 0.00 O ATOM 872 CB MET A 58 -4.840 9.115 -5.110 1.00 0.00 C ATOM 873 CG MET A 58 -3.920 9.648 -4.027 1.00 0.00 C ATOM 874 SD MET A 58 -2.221 9.841 -4.596 1.00 0.00 S ATOM 875 CE MET A 58 -2.065 11.625 -4.597 1.00 0.00 C ATOM 0 H MET A 58 -6.311 10.912 -4.300 1.00 0.00 H new ATOM 0 HA MET A 58 -4.549 10.753 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.678 8.599 -4.642 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.301 8.375 -5.702 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.294 10.611 -3.678 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.939 8.971 -3.173 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.015 11.898 -4.700 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.631 12.039 -5.431 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.454 12.025 -3.660 1.00 0.00 H new ATOM 885 N LEU A 59 -7.448 9.293 -6.910 1.00 0.00 N ATOM 886 CA LEU A 59 -8.320 8.664 -7.893 1.00 0.00 C ATOM 887 C LEU A 59 -8.647 9.620 -9.035 1.00 0.00 C ATOM 888 O LEU A 59 -9.042 9.190 -10.120 1.00 0.00 O ATOM 889 CB LEU A 59 -9.611 8.195 -7.213 1.00 0.00 C ATOM 890 CG LEU A 59 -10.535 7.331 -8.072 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.219 6.276 -7.216 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.570 8.193 -8.781 1.00 0.00 C ATOM 0 H LEU A 59 -7.901 9.505 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.797 7.805 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.345 7.632 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.167 9.073 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.932 6.828 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.874 5.669 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.466 5.639 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.809 6.764 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.218 7.559 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.170 8.723 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.064 8.914 -9.423 1.00 0.00 H new ATOM 904 N GLU A 60 -8.473 10.915 -8.795 1.00 0.00 N ATOM 905 CA GLU A 60 -8.782 11.920 -9.802 1.00 0.00 C ATOM 906 C GLU A 60 -7.518 12.519 -10.412 1.00 0.00 C ATOM 907 O GLU A 60 -7.593 13.331 -11.336 1.00 0.00 O ATOM 908 CB GLU A 60 -9.635 13.030 -9.189 1.00 0.00 C ATOM 909 CG GLU A 60 -10.694 12.520 -8.226 1.00 0.00 C ATOM 910 CD GLU A 60 -11.549 13.634 -7.654 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.101 14.426 -8.448 1.00 0.00 O ATOM 912 OE2 GLU A 60 -11.666 13.715 -6.414 1.00 0.00 O ATOM 0 H GLU A 60 -8.121 11.291 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.337 11.427 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.984 13.729 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.122 13.587 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.334 11.804 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.209 11.984 -7.410 1.00 0.00 H new ATOM 919 N SER A 61 -6.360 12.113 -9.903 1.00 0.00 N ATOM 920 CA SER A 61 -5.091 12.630 -10.403 1.00 0.00 C ATOM 921 C SER A 61 -4.191 11.501 -10.897 1.00 0.00 C ATOM 922 O SER A 61 -3.307 11.046 -10.177 1.00 0.00 O ATOM 923 CB SER A 61 -4.370 13.422 -9.310 1.00 0.00 C ATOM 924 OG SER A 61 -3.685 14.537 -9.854 1.00 0.00 O ATOM 0 H SER A 61 -6.273 11.432 -9.149 1.00 0.00 H new ATOM 0 HA SER A 61 -5.310 13.290 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.092 13.762 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.662 12.773 -8.794 1.00 0.00 H new ATOM 0 HG SER A 61 -3.510 15.191 -9.145 1.00 0.00 H new ATOM 930 N PRO A 62 -4.390 11.044 -12.144 1.00 0.00 N ATOM 931 CA PRO A 62 -3.574 9.975 -12.726 1.00 0.00 C ATOM 932 C PRO A 62 -2.097 10.352 -12.783 1.00 0.00 C ATOM 933 O PRO A 62 -1.222 9.495 -12.673 1.00 0.00 O ATOM 934 CB PRO A 62 -4.140 9.811 -14.142 1.00 0.00 C ATOM 935 CG PRO A 62 -5.501 10.416 -14.087 1.00 0.00 C ATOM 936 CD PRO A 62 -5.414 11.529 -13.084 1.00 0.00 C ATOM 0 HA PRO A 62 -3.619 9.061 -12.134 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.514 10.315 -14.878 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.187 8.761 -14.429 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.801 10.793 -15.065 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.245 9.678 -13.788 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.122 12.470 -13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.369 11.701 -12.588 1.00 0.00 H new ATOM 944 N GLU A 63 -1.830 11.643 -12.961 1.00 0.00 N ATOM 945 CA GLU A 63 -0.462 12.143 -13.039 1.00 0.00 C ATOM 946 C GLU A 63 0.174 12.250 -11.656 1.00 0.00 C ATOM 947 O GLU A 63 1.301 11.801 -11.448 1.00 0.00 O ATOM 948 CB GLU A 63 -0.439 13.508 -13.727 1.00 0.00 C ATOM 949 CG GLU A 63 -1.242 13.552 -15.018 1.00 0.00 C ATOM 950 CD GLU A 63 -2.343 14.593 -14.985 1.00 0.00 C ATOM 951 OE1 GLU A 63 -3.390 14.331 -14.356 1.00 0.00 O ATOM 952 OE2 GLU A 63 -2.157 15.672 -15.585 1.00 0.00 O ATOM 0 H GLU A 63 -2.546 12.363 -13.054 1.00 0.00 H new ATOM 0 HA GLU A 63 0.119 11.431 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.830 14.259 -13.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.594 13.780 -13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.572 13.764 -15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.680 12.571 -15.203 1.00 0.00 H new ATOM 959 N SER A 64 -0.542 12.868 -10.721 1.00 0.00 N ATOM 960 CA SER A 64 -0.031 13.060 -9.367 1.00 0.00 C ATOM 961 C SER A 64 0.032 11.742 -8.603 1.00 0.00 C ATOM 962 O SER A 64 1.070 11.382 -8.049 1.00 0.00 O ATOM 963 CB SER A 64 -0.910 14.056 -8.607 1.00 0.00 C ATOM 964 OG SER A 64 -0.743 15.370 -9.111 1.00 0.00 O ATOM 0 H SER A 64 -1.477 13.244 -10.876 1.00 0.00 H new ATOM 0 HA SER A 64 0.981 13.456 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.956 13.761 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.657 14.035 -7.547 1.00 0.00 H new ATOM 0 HG SER A 64 -1.316 15.988 -8.611 1.00 0.00 H new ATOM 970 N LEU A 65 -1.090 11.033 -8.575 1.00 0.00 N ATOM 971 CA LEU A 65 -1.186 9.766 -7.859 1.00 0.00 C ATOM 972 C LEU A 65 -0.154 8.763 -8.368 1.00 0.00 C ATOM 973 O LEU A 65 0.698 8.317 -7.602 1.00 0.00 O ATOM 974 CB LEU A 65 -2.620 9.217 -7.981 1.00 0.00 C ATOM 975 CG LEU A 65 -2.852 7.714 -7.717 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.819 6.939 -9.023 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.869 7.129 -6.709 1.00 0.00 C ATOM 0 H LEU A 65 -1.951 11.316 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.965 9.935 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.251 9.777 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.976 9.437 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.841 7.617 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.984 5.880 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.602 7.309 -9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.848 7.071 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.083 6.070 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.852 7.247 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.969 7.652 -5.758 1.00 0.00 H new ATOM 989 N ARG A 66 -0.241 8.384 -9.639 1.00 0.00 N ATOM 990 CA ARG A 66 0.681 7.393 -10.184 1.00 0.00 C ATOM 991 C ARG A 66 2.130 7.760 -9.875 1.00 0.00 C ATOM 992 O ARG A 66 2.956 6.886 -9.616 1.00 0.00 O ATOM 993 CB ARG A 66 0.493 7.228 -11.691 1.00 0.00 C ATOM 994 CG ARG A 66 1.110 5.947 -12.229 1.00 0.00 C ATOM 995 CD ARG A 66 0.266 5.340 -13.337 1.00 0.00 C ATOM 996 NE ARG A 66 1.084 4.863 -14.449 1.00 0.00 N ATOM 997 CZ ARG A 66 1.421 5.613 -15.493 1.00 0.00 C ATOM 998 NH1 ARG A 66 1.012 6.872 -15.571 1.00 0.00 N ATOM 999 NH2 ARG A 66 2.169 5.104 -16.464 1.00 0.00 N ATOM 0 H ARG A 66 -0.929 8.741 -10.302 1.00 0.00 H new ATOM 0 HA ARG A 66 0.453 6.442 -9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.572 7.237 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.937 8.082 -12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.111 6.156 -12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.219 5.227 -11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.318 4.512 -12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.443 6.083 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 66 1.416 3.899 -14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.436 7.268 -14.828 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.273 7.444 -16.374 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.486 4.136 -16.410 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.427 5.681 -17.265 1.00 0.00 H new ATOM 1013 N SER A 67 2.429 9.057 -9.887 1.00 0.00 N ATOM 1014 CA SER A 67 3.772 9.530 -9.567 1.00 0.00 C ATOM 1015 C SER A 67 4.076 9.282 -8.096 1.00 0.00 C ATOM 1016 O SER A 67 5.201 8.942 -7.723 1.00 0.00 O ATOM 1017 CB SER A 67 3.902 11.020 -9.885 1.00 0.00 C ATOM 1018 OG SER A 67 4.167 11.229 -11.262 1.00 0.00 O ATOM 0 H SER A 67 1.763 9.795 -10.114 1.00 0.00 H new ATOM 0 HA SER A 67 4.490 8.980 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.983 11.536 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.704 11.453 -9.288 1.00 0.00 H new ATOM 0 HG SER A 67 3.336 11.469 -11.722 1.00 0.00 H new ATOM 1024 N LYS A 68 3.053 9.434 -7.264 1.00 0.00 N ATOM 1025 CA LYS A 68 3.189 9.200 -5.837 1.00 0.00 C ATOM 1026 C LYS A 68 3.468 7.725 -5.572 1.00 0.00 C ATOM 1027 O LYS A 68 4.499 7.372 -4.999 1.00 0.00 O ATOM 1028 CB LYS A 68 1.918 9.637 -5.106 1.00 0.00 C ATOM 1029 CG LYS A 68 2.127 9.880 -3.621 1.00 0.00 C ATOM 1030 CD LYS A 68 1.163 10.925 -3.087 1.00 0.00 C ATOM 1031 CE LYS A 68 0.086 10.293 -2.222 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.828 11.312 -1.636 1.00 0.00 N ATOM 0 H LYS A 68 2.119 9.719 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 68 4.027 9.789 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.539 10.550 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.152 8.873 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.991 8.946 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.152 10.206 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.712 11.665 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.699 11.454 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.492 9.589 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.554 9.722 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.792 10.924 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.502 11.562 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.829 12.162 -2.235 1.00 0.00 H new ATOM 1046 N VAL A 69 2.563 6.867 -6.032 1.00 0.00 N ATOM 1047 CA VAL A 69 2.728 5.429 -5.871 1.00 0.00 C ATOM 1048 C VAL A 69 3.940 4.940 -6.665 1.00 0.00 C ATOM 1049 O VAL A 69 4.457 3.849 -6.427 1.00 0.00 O ATOM 1050 CB VAL A 69 1.458 4.660 -6.297 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.731 3.170 -6.430 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.338 4.906 -5.299 1.00 0.00 C ATOM 0 H VAL A 69 1.710 7.143 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 69 2.895 5.231 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 69 1.151 5.031 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.817 2.658 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.503 3.007 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.069 2.775 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.552 4.359 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.649 4.564 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.114 5.972 -5.259 1.00 0.00 H new ATOM 1062 N ASP A 70 4.418 5.772 -7.582 1.00 0.00 N ATOM 1063 CA ASP A 70 5.616 5.441 -8.339 1.00 0.00 C ATOM 1064 C ASP A 70 6.762 5.193 -7.371 1.00 0.00 C ATOM 1065 O ASP A 70 7.435 4.162 -7.430 1.00 0.00 O ATOM 1066 CB ASP A 70 5.974 6.573 -9.301 1.00 0.00 C ATOM 1067 CG ASP A 70 7.285 6.328 -10.024 1.00 0.00 C ATOM 1068 OD1 ASP A 70 8.343 6.701 -9.477 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.251 5.764 -11.138 1.00 0.00 O ATOM 0 H ASP A 70 3.999 6.672 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 70 5.432 4.542 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.175 6.689 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.038 7.510 -8.747 1.00 0.00 H new ATOM 1074 N GLU A 71 6.934 6.121 -6.435 1.00 0.00 N ATOM 1075 CA GLU A 71 7.946 5.971 -5.399 1.00 0.00 C ATOM 1076 C GLU A 71 7.555 4.838 -4.461 1.00 0.00 C ATOM 1077 O GLU A 71 8.399 4.262 -3.775 1.00 0.00 O ATOM 1078 CB GLU A 71 8.104 7.267 -4.603 1.00 0.00 C ATOM 1079 CG GLU A 71 9.373 7.312 -3.767 1.00 0.00 C ATOM 1080 CD GLU A 71 9.990 8.696 -3.714 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.284 9.256 -4.792 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.180 9.219 -2.597 1.00 0.00 O ATOM 0 H GLU A 71 6.388 6.980 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 71 8.898 5.740 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.102 8.111 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.242 7.389 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.147 6.980 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.099 6.610 -4.178 1.00 0.00 H new ATOM 1089 N ALA A 72 6.262 4.526 -4.442 1.00 0.00 N ATOM 1090 CA ALA A 72 5.743 3.458 -3.600 1.00 0.00 C ATOM 1091 C ALA A 72 6.316 2.109 -4.021 1.00 0.00 C ATOM 1092 O ALA A 72 6.856 1.373 -3.197 1.00 0.00 O ATOM 1093 CB ALA A 72 4.227 3.443 -3.639 1.00 0.00 C ATOM 0 H ALA A 72 5.554 5.001 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 72 6.055 3.646 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.855 2.639 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.844 4.397 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.891 3.282 -4.663 1.00 0.00 H new ATOM 1099 N VAL A 73 6.226 1.792 -5.311 1.00 0.00 N ATOM 1100 CA VAL A 73 6.808 0.553 -5.814 1.00 0.00 C ATOM 1101 C VAL A 73 8.287 0.518 -5.459 1.00 0.00 C ATOM 1102 O VAL A 73 8.863 -0.544 -5.225 1.00 0.00 O ATOM 1103 CB VAL A 73 6.636 0.397 -7.343 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.233 0.809 -7.781 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.696 1.189 -8.095 1.00 0.00 C ATOM 0 H VAL A 73 5.763 2.366 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 73 6.280 -0.277 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 73 6.768 -0.657 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.139 0.690 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.496 0.180 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.060 1.852 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.552 1.062 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.610 2.245 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.686 0.828 -7.816 1.00 0.00 H new ATOM 1115 N ALA A 74 8.873 1.706 -5.366 1.00 0.00 N ATOM 1116 CA ALA A 74 10.275 1.842 -5.006 1.00 0.00 C ATOM 1117 C ALA A 74 10.500 1.495 -3.537 1.00 0.00 C ATOM 1118 O ALA A 74 11.554 0.973 -3.178 1.00 0.00 O ATOM 1119 CB ALA A 74 10.768 3.249 -5.305 1.00 0.00 C ATOM 0 H ALA A 74 8.395 2.591 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 74 10.849 1.138 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.819 3.332 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.654 3.456 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.184 3.969 -4.731 1.00 0.00 H new ATOM 1125 N VAL A 75 9.508 1.779 -2.686 1.00 0.00 N ATOM 1126 CA VAL A 75 9.623 1.452 -1.266 1.00 0.00 C ATOM 1127 C VAL A 75 9.885 -0.041 -1.105 1.00 0.00 C ATOM 1128 O VAL A 75 10.628 -0.460 -0.218 1.00 0.00 O ATOM 1129 CB VAL A 75 8.377 1.872 -0.443 1.00 0.00 C ATOM 1130 CG1 VAL A 75 7.843 3.209 -0.931 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.287 0.805 -0.480 1.00 0.00 C ATOM 0 H VAL A 75 8.631 2.227 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 75 10.462 2.025 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 75 8.688 1.979 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.969 3.488 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.614 3.971 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.562 3.127 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.432 1.138 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.975 0.639 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.674 -0.125 -0.064 1.00 0.00 H new ATOM 1141 N LEU A 76 9.311 -0.831 -2.010 1.00 0.00 N ATOM 1142 CA LEU A 76 9.550 -2.269 -2.024 1.00 0.00 C ATOM 1143 C LEU A 76 11.001 -2.531 -2.383 1.00 0.00 C ATOM 1144 O LEU A 76 11.693 -3.311 -1.729 1.00 0.00 O ATOM 1145 CB LEU A 76 8.657 -2.961 -3.051 1.00 0.00 C ATOM 1146 CG LEU A 76 7.160 -2.890 -2.779 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.397 -3.213 -4.051 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.773 -3.845 -1.660 1.00 0.00 C ATOM 0 H LEU A 76 8.680 -0.500 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 76 9.322 -2.666 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.851 -2.521 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.948 -4.010 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 76 6.903 -1.880 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.326 -3.162 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.659 -2.492 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.657 -4.217 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.700 -3.780 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.032 -4.865 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.310 -3.576 -0.750 1.00 0.00 H new ATOM 1160 N GLN A 77 11.445 -1.868 -3.444 1.00 0.00 N ATOM 1161 CA GLN A 77 12.816 -1.988 -3.907 1.00 0.00 C ATOM 1162 C GLN A 77 13.787 -1.669 -2.775 1.00 0.00 C ATOM 1163 O GLN A 77 14.842 -2.290 -2.650 1.00 0.00 O ATOM 1164 CB GLN A 77 13.045 -1.047 -5.095 1.00 0.00 C ATOM 1165 CG GLN A 77 12.598 -1.627 -6.427 1.00 0.00 C ATOM 1166 CD GLN A 77 13.289 -2.935 -6.757 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.696 -4.009 -6.652 1.00 0.00 O ATOM 1168 NE2 GLN A 77 14.552 -2.850 -7.160 1.00 0.00 N ATOM 0 H GLN A 77 10.868 -1.238 -4.001 1.00 0.00 H new ATOM 0 HA GLN A 77 12.995 -3.013 -4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.510 -0.114 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.105 -0.801 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.520 -1.786 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.799 -0.905 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.004 -1.938 -7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.070 -3.696 -7.397 1.00 0.00 H new ATOM 1177 N ALA A 78 13.412 -0.697 -1.946 1.00 0.00 N ATOM 1178 CA ALA A 78 14.223 -0.303 -0.800 1.00 0.00 C ATOM 1179 C ALA A 78 13.992 -1.237 0.386 1.00 0.00 C ATOM 1180 O ALA A 78 14.816 -1.312 1.297 1.00 0.00 O ATOM 1181 CB ALA A 78 13.921 1.136 -0.409 1.00 0.00 C ATOM 0 H ALA A 78 12.547 -0.166 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 78 15.272 -0.377 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.534 1.416 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.146 1.796 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.867 1.228 -0.147 1.00 0.00 H new ATOM 1187 N HIS A 79 12.858 -1.936 0.372 1.00 0.00 N ATOM 1188 CA HIS A 79 12.511 -2.855 1.454 1.00 0.00 C ATOM 1189 C HIS A 79 13.573 -3.937 1.610 1.00 0.00 C ATOM 1190 O HIS A 79 14.308 -3.958 2.596 1.00 0.00 O ATOM 1191 CB HIS A 79 11.144 -3.501 1.197 1.00 0.00 C ATOM 1192 CG HIS A 79 10.684 -4.391 2.311 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.181 -5.647 2.063 1.00 0.00 N ATOM 1194 CD2 HIS A 79 10.668 -4.164 3.647 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.874 -6.154 3.244 1.00 0.00 C ATOM 1196 NE2 HIS A 79 10.153 -5.291 4.232 1.00 0.00 N ATOM 0 H HIS A 79 12.165 -1.883 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 79 12.462 -2.279 2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.404 -2.716 1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.193 -4.081 0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.997 -3.268 4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.453 -7.137 3.394 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.009 -5.445 5.230 1.00 0.00 H new ATOM 1538 N ASN B 5 10.063 6.229 1.837 1.00 0.00 N ATOM 1539 CA ASN B 5 10.279 7.399 0.994 1.00 0.00 C ATOM 1540 C ASN B 5 9.058 8.314 1.004 1.00 0.00 C ATOM 1541 O ASN B 5 9.170 9.512 1.267 1.00 0.00 O ATOM 1542 CB ASN B 5 10.592 6.966 -0.440 1.00 0.00 C ATOM 1543 CG ASN B 5 12.041 7.205 -0.814 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.728 6.302 -1.292 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.513 8.428 -0.601 1.00 0.00 N ATOM 0 HA ASN B 5 11.127 7.953 1.396 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.360 5.907 -0.555 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.947 7.511 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.481 8.649 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.908 9.146 -0.203 1.00 0.00 H new ATOM 1552 N LEU B 6 7.894 7.741 0.715 1.00 0.00 N ATOM 1553 CA LEU B 6 6.651 8.505 0.685 1.00 0.00 C ATOM 1554 C LEU B 6 6.179 8.839 2.099 1.00 0.00 C ATOM 1555 O LEU B 6 6.355 9.963 2.570 1.00 0.00 O ATOM 1556 CB LEU B 6 5.569 7.716 -0.060 1.00 0.00 C ATOM 1557 CG LEU B 6 4.912 8.443 -1.240 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.963 9.062 -2.153 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.028 7.488 -2.025 1.00 0.00 C ATOM 0 H LEU B 6 7.785 6.750 0.498 1.00 0.00 H new ATOM 0 HA LEU B 6 6.838 9.442 0.159 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.009 6.789 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.791 7.440 0.652 1.00 0.00 H new ATOM 0 HG LEU B 6 4.293 9.246 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.471 9.571 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.558 9.779 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.613 8.279 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.569 8.019 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.631 6.665 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.249 7.094 -1.373 1.00 0.00 H new ATOM 1571 N ASN B 7 5.585 7.857 2.772 1.00 0.00 N ATOM 1572 CA ASN B 7 5.093 8.052 4.133 1.00 0.00 C ATOM 1573 C ASN B 7 6.213 7.865 5.152 1.00 0.00 C ATOM 1574 O ASN B 7 7.005 6.930 5.045 1.00 0.00 O ATOM 1575 CB ASN B 7 3.966 7.069 4.440 1.00 0.00 C ATOM 1576 CG ASN B 7 2.900 7.672 5.332 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.047 7.480 6.638 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.959 8.305 4.854 1.00 0.00 N flip ATOM 0 H ASN B 7 5.433 6.920 2.398 1.00 0.00 H new ATOM 0 HA ASN B 7 4.716 9.072 4.204 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.511 6.740 3.506 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.381 6.184 4.922 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.887 8.427 3.844 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.251 8.708 5.468 1.00 0.00 H new ATOM 1585 N PRO B 8 6.271 8.729 6.180 1.00 0.00 N ATOM 1586 CA PRO B 8 7.284 8.644 7.226 1.00 0.00 C ATOM 1587 C PRO B 8 6.941 7.583 8.266 1.00 0.00 C ATOM 1588 O PRO B 8 7.745 7.280 9.147 1.00 0.00 O ATOM 1589 CB PRO B 8 7.274 10.043 7.868 1.00 0.00 C ATOM 1590 CG PRO B 8 6.274 10.850 7.097 1.00 0.00 C ATOM 1591 CD PRO B 8 5.377 9.868 6.401 1.00 0.00 C ATOM 0 HA PRO B 8 8.257 8.359 6.825 1.00 0.00 H new ATOM 0 HB2 PRO B 8 6.999 9.986 8.921 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.262 10.500 7.821 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.700 11.495 7.763 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.772 11.498 6.376 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.518 9.597 7.014 1.00 0.00 H new ATOM 0 HD3 PRO B 8 4.987 10.267 5.464 1.00 0.00 H new ATOM 1599 N ASN B 9 5.736 7.029 8.162 1.00 0.00 N ATOM 1600 CA ASN B 9 5.279 6.005 9.095 1.00 0.00 C ATOM 1601 C ASN B 9 4.873 4.731 8.360 1.00 0.00 C ATOM 1602 O ASN B 9 3.737 4.275 8.469 1.00 0.00 O ATOM 1603 CB ASN B 9 4.102 6.528 9.919 1.00 0.00 C ATOM 1604 CG ASN B 9 4.419 7.838 10.615 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.521 8.029 11.130 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.453 8.748 10.634 1.00 0.00 N ATOM 0 H ASN B 9 5.058 7.273 7.440 1.00 0.00 H new ATOM 0 HA ASN B 9 6.107 5.765 9.762 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.239 6.666 9.268 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.824 5.782 10.664 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.609 9.648 11.088 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.555 8.547 10.195 1.00 0.00 H new ATOM 1613 N ALA B 10 5.798 4.183 7.580 1.00 0.00 N ATOM 1614 CA ALA B 10 5.547 2.959 6.829 1.00 0.00 C ATOM 1615 C ALA B 10 5.216 1.785 7.754 1.00 0.00 C ATOM 1616 O ALA B 10 6.115 1.148 8.304 1.00 0.00 O ATOM 1617 CB ALA B 10 6.748 2.626 5.957 1.00 0.00 C ATOM 0 H ALA B 10 6.733 4.570 7.451 1.00 0.00 H new ATOM 0 HA ALA B 10 4.678 3.129 6.193 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.551 1.710 5.400 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.929 3.443 5.259 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.627 2.486 6.586 1.00 0.00 H new ATOM 1623 N LYS B 11 3.925 1.489 7.905 1.00 0.00 N ATOM 1624 CA LYS B 11 3.483 0.367 8.737 1.00 0.00 C ATOM 1625 C LYS B 11 2.596 -0.577 7.932 1.00 0.00 C ATOM 1626 O LYS B 11 1.986 -0.172 6.951 1.00 0.00 O ATOM 1627 CB LYS B 11 2.719 0.867 9.968 1.00 0.00 C ATOM 1628 CG LYS B 11 3.146 2.245 10.440 1.00 0.00 C ATOM 1629 CD LYS B 11 3.914 2.176 11.751 1.00 0.00 C ATOM 1630 CE LYS B 11 3.025 2.512 12.937 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.772 3.976 13.045 1.00 0.00 N ATOM 0 H LYS B 11 3.167 2.009 7.463 1.00 0.00 H new ATOM 0 HA LYS B 11 4.370 -0.172 9.070 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.654 0.886 9.739 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.857 0.156 10.783 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.768 2.714 9.678 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.266 2.876 10.566 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.329 1.176 11.878 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.755 2.869 11.718 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.075 1.986 12.839 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.494 2.156 13.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.176 4.165 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.677 4.478 13.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 2.286 4.309 12.188 1.00 0.00 H new ATOM 1645 N GLU B 12 2.516 -1.835 8.360 1.00 0.00 N ATOM 1646 CA GLU B 12 1.702 -2.832 7.664 1.00 0.00 C ATOM 1647 C GLU B 12 0.246 -2.378 7.542 1.00 0.00 C ATOM 1648 O GLU B 12 -0.176 -1.432 8.206 1.00 0.00 O ATOM 1649 CB GLU B 12 1.766 -4.173 8.400 1.00 0.00 C ATOM 1650 CG GLU B 12 2.505 -5.254 7.629 1.00 0.00 C ATOM 1651 CD GLU B 12 1.696 -6.529 7.488 1.00 0.00 C ATOM 1652 OE1 GLU B 12 1.356 -7.133 8.528 1.00 0.00 O ATOM 1653 OE2 GLU B 12 1.402 -6.923 6.340 1.00 0.00 O ATOM 0 H GLU B 12 3.003 -2.189 9.183 1.00 0.00 H new ATOM 0 HA GLU B 12 2.107 -2.949 6.659 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.255 -4.027 9.363 1.00 0.00 H new ATOM 0 HB3 GLU B 12 0.751 -4.514 8.606 1.00 0.00 H new ATOM 0 HG2 GLU B 12 2.759 -4.878 6.638 1.00 0.00 H new ATOM 0 HG3 GLU B 12 3.444 -5.478 8.135 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.517 -3.067 6.693 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.927 -2.739 6.485 1.00 0.00 C ATOM 1662 C PHE B 13 -2.808 -3.488 7.483 1.00 0.00 C ATOM 1663 O PHE B 13 -3.609 -4.343 7.102 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.350 -3.078 5.045 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.706 -2.550 4.634 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.483 -1.792 5.504 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.203 -2.816 3.364 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.721 -1.315 5.114 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.438 -2.338 2.973 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.195 -1.586 3.846 1.00 0.00 C ATOM 0 H PHE B 13 -0.182 -3.855 6.139 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.056 -1.669 6.646 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.600 -2.682 4.360 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.348 -4.162 4.928 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.115 -1.574 6.496 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.616 -3.404 2.674 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.316 -0.731 5.800 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.811 -2.553 1.983 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.159 -1.209 3.538 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.811 3.284 9.771 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.286 4.165 8.734 1.00 0.00 C ATOM 1735 C LYS B 18 -7.874 4.627 9.078 1.00 0.00 C ATOM 1736 O LYS B 18 -7.683 5.479 9.947 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.199 5.382 8.562 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.823 5.487 7.182 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.289 5.884 7.264 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.533 7.248 6.639 1.00 0.00 C ATOM 1741 NZ LYS B 18 -12.810 8.289 7.667 1.00 0.00 N ATOM 0 HA LYS B 18 -9.252 3.605 7.799 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -10.993 5.338 9.308 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -9.625 6.287 8.761 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.278 6.222 6.590 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.732 4.531 6.666 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.898 5.136 6.757 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.605 5.899 8.307 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.662 7.540 6.053 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.375 7.186 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.971 9.204 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.656 8.024 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.996 8.367 8.310 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.887 4.057 8.395 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.490 4.408 8.630 1.00 0.00 C ATOM 1757 C TYR B 19 -5.132 5.714 7.932 1.00 0.00 C ATOM 1758 O TYR B 19 -5.431 5.902 6.753 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.571 3.282 8.146 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.311 3.103 8.972 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.195 3.656 10.244 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.246 2.353 8.487 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.050 3.483 10.996 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.099 2.173 9.236 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.005 2.741 10.489 1.00 0.00 C ATOM 1766 OH TYR B 19 0.136 2.565 11.236 1.00 0.00 O ATOM 0 H TYR B 19 -7.028 3.350 7.674 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.350 4.544 9.702 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.130 2.346 8.150 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.288 3.479 7.112 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.015 4.230 10.650 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.316 1.903 7.508 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -1.974 3.927 11.977 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.280 1.590 8.842 1.00 0.00 H new ATOM 0 HH TYR B 19 0.655 3.396 11.241 1.00 0.00 H new