USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0935) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 7 SER OG : rot 15:sc= 0.688 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.655 F(o=-1.7,f=-0.66) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.918 USER MOD Single : A 30 THR OG1 : rot -145:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -152:sc= -0.52 (180deg=-1.72!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -100:sc= -0.906 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 50 SER OG : rot -57:sc= 0.0405 USER MOD Single : A 51 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.89!) USER MOD Single : A 63 GLN : amide:sc=-0.00152 K(o=-0.0015,f=-1.5) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -0.0315 (180deg=-0.275) USER MOD Single : A 69 TYR OH : rot -84:sc= 0.882 USER MOD Single : A 76 THR OG1 : rot -67:sc= -2.18 USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= 0.15 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.557 F(o=-1.2,f=-0.56) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.121 K(o=0.12,f=-2.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.246 K(o=-0.25,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.777 -4.969 -0.957 1.00 0.00 N ATOM 2 CA MET A 1 2.819 -3.923 -2.010 1.00 0.00 C ATOM 3 C MET A 1 1.414 -3.451 -2.372 1.00 0.00 C ATOM 4 O MET A 1 1.192 -2.264 -2.613 1.00 0.00 O ATOM 5 CB MET A 1 3.520 -4.503 -3.243 1.00 0.00 C ATOM 6 CG MET A 1 3.906 -3.454 -4.274 1.00 0.00 C ATOM 7 SD MET A 1 5.388 -2.538 -3.809 1.00 0.00 S ATOM 8 CE MET A 1 5.400 -1.258 -5.062 1.00 0.00 C ATOM 0 H1 MET A 1 3.742 -5.163 -0.621 1.00 0.00 H new ATOM 0 H2 MET A 1 2.194 -4.638 -0.162 1.00 0.00 H new ATOM 0 H3 MET A 1 2.365 -5.840 -1.349 1.00 0.00 H new ATOM 0 HA MET A 1 3.369 -3.058 -1.638 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.417 -5.034 -2.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.864 -5.237 -3.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.070 -3.939 -5.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.078 -2.757 -4.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.261 -0.607 -4.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.462 -1.716 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.484 -0.671 -4.991 1.00 0.00 H new ATOM 20 N VAL A 2 0.468 -4.385 -2.408 1.00 0.00 N ATOM 21 CA VAL A 2 -0.916 -4.064 -2.742 1.00 0.00 C ATOM 22 C VAL A 2 -1.027 -3.543 -4.169 1.00 0.00 C ATOM 23 O VAL A 2 -0.140 -2.842 -4.655 1.00 0.00 O ATOM 24 CB VAL A 2 -1.507 -3.018 -1.773 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.978 -2.757 -2.087 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.335 -3.473 -0.331 1.00 0.00 C ATOM 0 H VAL A 2 0.635 -5.372 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.485 -4.989 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.964 -2.082 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.373 -2.017 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.072 -2.383 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.541 -3.685 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.757 -2.724 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.850 -4.422 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.274 -3.599 -0.113 1.00 0.00 H new ATOM 36 N LYS A 3 -2.124 -3.891 -4.834 1.00 0.00 N ATOM 37 CA LYS A 3 -2.353 -3.464 -6.204 1.00 0.00 C ATOM 38 C LYS A 3 -3.838 -3.246 -6.441 1.00 0.00 C ATOM 39 O LYS A 3 -4.651 -4.145 -6.232 1.00 0.00 O ATOM 40 CB LYS A 3 -1.820 -4.509 -7.191 1.00 0.00 C ATOM 41 CG LYS A 3 -2.119 -5.943 -6.781 1.00 0.00 C ATOM 42 CD LYS A 3 -1.761 -6.928 -7.884 1.00 0.00 C ATOM 43 CE LYS A 3 -0.269 -7.211 -7.918 1.00 0.00 C ATOM 44 NZ LYS A 3 0.120 -8.262 -6.939 1.00 0.00 N ATOM 0 H LYS A 3 -2.868 -4.469 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.821 -2.526 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.254 -4.323 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.742 -4.386 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.559 -6.188 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.177 -6.039 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.305 -7.860 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.078 -6.528 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.018 -7.526 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.279 -6.294 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.146 -8.425 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.130 -7.951 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.383 -9.145 -7.159 1.00 0.00 H new ATOM 58 N GLN A 4 -4.187 -2.039 -6.863 1.00 0.00 N ATOM 59 CA GLN A 4 -5.577 -1.703 -7.115 1.00 0.00 C ATOM 60 C GLN A 4 -6.050 -2.349 -8.419 1.00 0.00 C ATOM 61 O GLN A 4 -5.374 -2.270 -9.443 1.00 0.00 O ATOM 62 CB GLN A 4 -5.750 -0.182 -7.168 1.00 0.00 C ATOM 63 CG GLN A 4 -7.167 0.257 -7.498 1.00 0.00 C ATOM 64 CD GLN A 4 -7.668 1.355 -6.582 1.00 0.00 C ATOM 65 OE1 GLN A 4 -6.984 2.354 -6.358 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.868 1.175 -6.042 1.00 0.00 N ATOM 0 H GLN A 4 -3.528 -1.280 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.188 -2.091 -6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.462 0.242 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.069 0.227 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.204 0.606 -8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.835 -0.602 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.402 0.332 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.256 1.880 -5.415 1.00 0.00 H new ATOM 75 N ILE A 5 -7.208 -2.997 -8.369 1.00 0.00 N ATOM 76 CA ILE A 5 -7.765 -3.668 -9.539 1.00 0.00 C ATOM 77 C ILE A 5 -8.919 -2.854 -10.134 1.00 0.00 C ATOM 78 O ILE A 5 -10.000 -2.773 -9.551 1.00 0.00 O ATOM 79 CB ILE A 5 -8.219 -5.104 -9.168 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.091 -6.107 -9.437 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.476 -5.513 -9.923 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.724 -5.640 -8.978 1.00 0.00 C ATOM 0 H ILE A 5 -7.781 -3.072 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.990 -3.744 -10.301 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.456 -5.107 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.328 -7.047 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.052 -6.315 -10.506 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.761 -6.525 -9.635 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.286 -4.825 -9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.283 -5.482 -10.995 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.983 -6.406 -9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.462 -4.717 -9.496 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.743 -5.460 -7.903 1.00 0.00 H new ATOM 94 N GLU A 6 -8.674 -2.250 -11.296 1.00 0.00 N ATOM 95 CA GLU A 6 -9.684 -1.436 -11.971 1.00 0.00 C ATOM 96 C GLU A 6 -10.426 -2.207 -13.062 1.00 0.00 C ATOM 97 O GLU A 6 -11.038 -1.604 -13.943 1.00 0.00 O ATOM 98 CB GLU A 6 -9.038 -0.186 -12.574 1.00 0.00 C ATOM 99 CG GLU A 6 -8.911 0.968 -11.594 1.00 0.00 C ATOM 100 CD GLU A 6 -7.485 1.469 -11.461 1.00 0.00 C ATOM 101 OE1 GLU A 6 -6.749 1.441 -12.470 1.00 0.00 O ATOM 102 OE2 GLU A 6 -7.106 1.891 -10.349 1.00 0.00 O ATOM 0 H GLU A 6 -7.784 -2.309 -11.790 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.417 -1.150 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.047 -0.444 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.628 0.140 -13.431 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.551 1.788 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.273 0.650 -10.616 1.00 0.00 H new ATOM 109 N SER A 7 -10.369 -3.532 -13.007 1.00 0.00 N ATOM 110 CA SER A 7 -11.041 -4.361 -14.007 1.00 0.00 C ATOM 111 C SER A 7 -11.368 -5.748 -13.457 1.00 0.00 C ATOM 112 O SER A 7 -10.844 -6.160 -12.422 1.00 0.00 O ATOM 113 CB SER A 7 -10.172 -4.488 -15.263 1.00 0.00 C ATOM 114 OG SER A 7 -10.274 -3.329 -16.072 1.00 0.00 O ATOM 0 H SER A 7 -9.869 -4.055 -12.288 1.00 0.00 H new ATOM 0 HA SER A 7 -11.980 -3.871 -14.266 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.132 -4.645 -14.976 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.480 -5.363 -15.835 1.00 0.00 H new ATOM 0 HG SER A 7 -10.678 -2.603 -15.553 1.00 0.00 H new ATOM 120 N LYS A 8 -12.234 -6.467 -14.166 1.00 0.00 N ATOM 121 CA LYS A 8 -12.629 -7.810 -13.761 1.00 0.00 C ATOM 122 C LYS A 8 -11.526 -8.812 -14.098 1.00 0.00 C ATOM 123 O LYS A 8 -11.395 -9.849 -13.446 1.00 0.00 O ATOM 124 CB LYS A 8 -13.944 -8.193 -14.448 1.00 0.00 C ATOM 125 CG LYS A 8 -14.393 -9.624 -14.189 1.00 0.00 C ATOM 126 CD LYS A 8 -15.438 -10.067 -15.202 1.00 0.00 C ATOM 127 CE LYS A 8 -14.798 -10.769 -16.388 1.00 0.00 C ATOM 128 NZ LYS A 8 -15.818 -11.334 -17.314 1.00 0.00 N ATOM 0 H LYS A 8 -12.676 -6.140 -15.025 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.783 -7.828 -12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.727 -7.513 -14.113 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.834 -8.048 -15.523 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.533 -10.291 -14.235 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.803 -9.702 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.151 -10.737 -14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.000 -9.200 -15.550 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.166 -10.065 -16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.150 -11.569 -16.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.342 -11.805 -18.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.405 -12.025 -16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.421 -10.568 -17.676 1.00 0.00 H new ATOM 142 N THR A 9 -10.722 -8.486 -15.110 1.00 0.00 N ATOM 143 CA THR A 9 -9.621 -9.351 -15.521 1.00 0.00 C ATOM 144 C THR A 9 -8.429 -9.162 -14.591 1.00 0.00 C ATOM 145 O THR A 9 -7.685 -10.104 -14.317 1.00 0.00 O ATOM 146 CB THR A 9 -9.204 -9.054 -16.963 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.322 -9.104 -17.829 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.165 -10.020 -17.498 1.00 0.00 C ATOM 0 H THR A 9 -10.814 -7.631 -15.658 1.00 0.00 H new ATOM 0 HA THR A 9 -9.962 -10.385 -15.464 1.00 0.00 H new ATOM 0 HB THR A 9 -8.769 -8.055 -16.937 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.035 -8.910 -18.746 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.914 -9.753 -18.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.268 -9.969 -16.880 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.565 -11.034 -17.474 1.00 0.00 H new ATOM 156 N ALA A 10 -8.256 -7.935 -14.111 1.00 0.00 N ATOM 157 CA ALA A 10 -7.158 -7.618 -13.210 1.00 0.00 C ATOM 158 C ALA A 10 -7.334 -8.345 -11.884 1.00 0.00 C ATOM 159 O ALA A 10 -6.364 -8.808 -11.284 1.00 0.00 O ATOM 160 CB ALA A 10 -7.071 -6.115 -12.991 1.00 0.00 C ATOM 0 H ALA A 10 -8.863 -7.145 -14.332 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.226 -7.954 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.245 -5.893 -12.315 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.902 -5.617 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.003 -5.756 -12.555 1.00 0.00 H new ATOM 166 N PHE A 11 -8.583 -8.467 -11.442 1.00 0.00 N ATOM 167 CA PHE A 11 -8.887 -9.153 -10.193 1.00 0.00 C ATOM 168 C PHE A 11 -8.388 -10.590 -10.250 1.00 0.00 C ATOM 169 O PHE A 11 -7.781 -11.090 -9.302 1.00 0.00 O ATOM 170 CB PHE A 11 -10.393 -9.122 -9.917 1.00 0.00 C ATOM 171 CG PHE A 11 -10.732 -9.358 -8.475 1.00 0.00 C ATOM 172 CD1 PHE A 11 -10.077 -8.653 -7.478 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.686 -10.294 -8.113 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.367 -8.878 -6.148 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.983 -10.521 -6.783 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.322 -9.813 -5.799 1.00 0.00 C ATOM 0 H PHE A 11 -9.399 -8.099 -11.931 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.378 -8.637 -9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.793 -8.156 -10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.884 -9.879 -10.528 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.331 -7.919 -7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.204 -10.853 -8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.848 -8.323 -5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.731 -11.251 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.551 -9.990 -4.759 1.00 0.00 H new ATOM 186 N GLN A 12 -8.625 -11.240 -11.383 1.00 0.00 N ATOM 187 CA GLN A 12 -8.179 -12.611 -11.579 1.00 0.00 C ATOM 188 C GLN A 12 -6.654 -12.660 -11.587 1.00 0.00 C ATOM 189 O GLN A 12 -6.047 -13.572 -11.027 1.00 0.00 O ATOM 190 CB GLN A 12 -8.736 -13.178 -12.888 1.00 0.00 C ATOM 191 CG GLN A 12 -10.237 -13.423 -12.855 1.00 0.00 C ATOM 192 CD GLN A 12 -10.668 -14.270 -11.671 1.00 0.00 C ATOM 193 OE1 GLN A 12 -10.910 -13.625 -10.535 1.00 0.00 O flip ATOM 194 NE2 GLN A 12 -10.781 -15.492 -11.777 1.00 0.00 N flip ATOM 0 H GLN A 12 -9.123 -10.839 -12.178 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.552 -13.223 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.507 -12.488 -13.700 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.228 -14.116 -13.113 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.756 -12.465 -12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.541 -13.916 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.585 -15.947 -12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.071 -16.049 -10.973 1.00 0.00 H new ATOM 203 N GLU A 13 -6.046 -11.667 -12.232 1.00 0.00 N ATOM 204 CA GLU A 13 -4.593 -11.583 -12.329 1.00 0.00 C ATOM 205 C GLU A 13 -3.937 -11.520 -10.950 1.00 0.00 C ATOM 206 O GLU A 13 -3.016 -12.285 -10.662 1.00 0.00 O ATOM 207 CB GLU A 13 -4.195 -10.358 -13.157 1.00 0.00 C ATOM 208 CG GLU A 13 -3.929 -10.677 -14.618 1.00 0.00 C ATOM 209 CD GLU A 13 -3.542 -9.453 -15.424 1.00 0.00 C ATOM 210 OE1 GLU A 13 -4.452 -8.766 -15.934 1.00 0.00 O ATOM 211 OE2 GLU A 13 -2.329 -9.182 -15.547 1.00 0.00 O ATOM 0 H GLU A 13 -6.541 -10.906 -12.697 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.239 -12.488 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.988 -9.613 -13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.302 -9.910 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.132 -11.417 -14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.820 -11.128 -15.055 1.00 0.00 H new ATOM 218 N ALA A 14 -4.410 -10.612 -10.098 1.00 0.00 N ATOM 219 CA ALA A 14 -3.853 -10.470 -8.755 1.00 0.00 C ATOM 220 C ALA A 14 -4.126 -11.710 -7.914 1.00 0.00 C ATOM 221 O ALA A 14 -3.313 -12.092 -7.071 1.00 0.00 O ATOM 222 CB ALA A 14 -4.421 -9.235 -8.071 1.00 0.00 C ATOM 0 H ALA A 14 -5.172 -9.968 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.773 -10.355 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.995 -9.144 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.170 -8.349 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.505 -9.326 -7.997 1.00 0.00 H new ATOM 228 N LEU A 15 -5.268 -12.342 -8.155 1.00 0.00 N ATOM 229 CA LEU A 15 -5.636 -13.546 -7.421 1.00 0.00 C ATOM 230 C LEU A 15 -4.666 -14.673 -7.754 1.00 0.00 C ATOM 231 O LEU A 15 -4.211 -15.400 -6.871 1.00 0.00 O ATOM 232 CB LEU A 15 -7.068 -13.962 -7.764 1.00 0.00 C ATOM 233 CG LEU A 15 -8.159 -13.219 -6.992 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.533 -13.761 -7.354 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.922 -13.323 -5.494 1.00 0.00 C ATOM 0 H LEU A 15 -5.952 -12.043 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.583 -13.337 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.230 -13.808 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.175 -15.030 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.120 -12.166 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.296 -13.220 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.705 -13.631 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.583 -14.821 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.709 -12.788 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.931 -14.371 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.955 -12.884 -5.247 1.00 0.00 H new ATOM 247 N ASP A 16 -4.343 -14.791 -9.039 1.00 0.00 N ATOM 248 CA ASP A 16 -3.413 -15.811 -9.513 1.00 0.00 C ATOM 249 C ASP A 16 -2.012 -15.551 -8.971 1.00 0.00 C ATOM 250 O ASP A 16 -1.211 -16.474 -8.817 1.00 0.00 O ATOM 251 CB ASP A 16 -3.386 -15.828 -11.041 1.00 0.00 C ATOM 252 CG ASP A 16 -2.559 -16.972 -11.596 1.00 0.00 C ATOM 253 OD1 ASP A 16 -2.749 -18.118 -11.137 1.00 0.00 O ATOM 254 OD2 ASP A 16 -1.724 -16.721 -12.490 1.00 0.00 O ATOM 0 H ASP A 16 -4.714 -14.189 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.752 -16.782 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.406 -15.905 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.982 -14.883 -11.404 1.00 0.00 H new ATOM 259 N ALA A 17 -1.714 -14.282 -8.713 1.00 0.00 N ATOM 260 CA ALA A 17 -0.402 -13.896 -8.220 1.00 0.00 C ATOM 261 C ALA A 17 -0.126 -14.512 -6.854 1.00 0.00 C ATOM 262 O ALA A 17 0.939 -15.093 -6.638 1.00 0.00 O ATOM 263 CB ALA A 17 -0.291 -12.380 -8.148 1.00 0.00 C ATOM 0 H ALA A 17 -2.364 -13.506 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 17 0.346 -14.273 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.696 -12.105 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.436 -11.957 -9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.053 -11.991 -7.473 1.00 0.00 H new ATOM 269 N ALA A 18 -1.082 -14.417 -5.935 1.00 0.00 N ATOM 270 CA ALA A 18 -0.890 -15.004 -4.615 1.00 0.00 C ATOM 271 C ALA A 18 -0.867 -16.525 -4.729 1.00 0.00 C ATOM 272 O ALA A 18 0.144 -17.170 -4.451 1.00 0.00 O ATOM 273 CB ALA A 18 -2.002 -14.553 -3.682 1.00 0.00 C ATOM 0 H ALA A 18 -1.978 -13.950 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 18 0.062 -14.670 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.852 -14.995 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.988 -13.466 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.964 -14.873 -4.081 1.00 0.00 H new ATOM 279 N GLY A 19 -1.996 -17.088 -5.142 1.00 0.00 N ATOM 280 CA GLY A 19 -2.101 -18.529 -5.297 1.00 0.00 C ATOM 281 C GLY A 19 -2.406 -19.251 -3.994 1.00 0.00 C ATOM 282 O GLY A 19 -3.567 -19.497 -3.676 1.00 0.00 O ATOM 0 H GLY A 19 -2.844 -16.571 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.884 -18.754 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.167 -18.913 -5.708 1.00 0.00 H new ATOM 286 N ASP A 20 -1.369 -19.597 -3.236 1.00 0.00 N ATOM 287 CA ASP A 20 -1.558 -20.304 -1.972 1.00 0.00 C ATOM 288 C ASP A 20 -1.608 -19.337 -0.793 1.00 0.00 C ATOM 289 O ASP A 20 -2.065 -19.695 0.293 1.00 0.00 O ATOM 290 CB ASP A 20 -0.437 -21.320 -1.766 1.00 0.00 C ATOM 291 CG ASP A 20 -0.704 -22.630 -2.481 1.00 0.00 C ATOM 292 OD1 ASP A 20 -1.764 -23.240 -2.230 1.00 0.00 O ATOM 293 OD2 ASP A 20 0.152 -23.047 -3.290 1.00 0.00 O ATOM 0 H ASP A 20 -0.396 -19.401 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.514 -20.825 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.502 -20.898 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.314 -21.510 -0.700 1.00 0.00 H new ATOM 298 N LYS A 21 -1.164 -18.106 -1.013 1.00 0.00 N ATOM 299 CA LYS A 21 -1.189 -17.102 0.032 1.00 0.00 C ATOM 300 C LYS A 21 -2.612 -16.612 0.222 1.00 0.00 C ATOM 301 O LYS A 21 -3.430 -16.684 -0.696 1.00 0.00 O ATOM 302 CB LYS A 21 -0.273 -15.928 -0.322 1.00 0.00 C ATOM 303 CG LYS A 21 1.188 -16.316 -0.476 1.00 0.00 C ATOM 304 CD LYS A 21 1.901 -15.405 -1.462 1.00 0.00 C ATOM 305 CE LYS A 21 3.401 -15.394 -1.222 1.00 0.00 C ATOM 306 NZ LYS A 21 4.015 -14.089 -1.594 1.00 0.00 N ATOM 0 H LYS A 21 -0.785 -17.784 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.828 -17.547 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.619 -15.476 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.357 -15.167 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.684 -16.265 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.258 -17.349 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.696 -15.737 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.509 -14.392 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.602 -15.603 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.867 -16.192 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.039 -14.123 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.846 -13.901 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.589 -13.330 -1.024 1.00 0.00 H new ATOM 320 N LEU A 22 -2.906 -16.102 1.404 1.00 0.00 N ATOM 321 CA LEU A 22 -4.236 -15.591 1.699 1.00 0.00 C ATOM 322 C LEU A 22 -4.411 -14.204 1.093 1.00 0.00 C ATOM 323 O LEU A 22 -3.533 -13.349 1.217 1.00 0.00 O ATOM 324 CB LEU A 22 -4.451 -15.554 3.215 1.00 0.00 C ATOM 325 CG LEU A 22 -5.755 -14.910 3.692 1.00 0.00 C ATOM 326 CD1 LEU A 22 -6.931 -15.357 2.837 1.00 0.00 C ATOM 327 CD2 LEU A 22 -6.001 -15.253 5.151 1.00 0.00 C ATOM 0 H LEU A 22 -2.244 -16.030 2.176 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.982 -16.252 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.414 -16.576 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.617 -15.017 3.667 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.659 -13.829 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.844 -14.884 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.758 -15.067 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.035 -16.440 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.931 -14.790 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.074 -16.335 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.175 -14.880 5.757 1.00 0.00 H new ATOM 339 N VAL A 23 -5.535 -13.986 0.423 1.00 0.00 N ATOM 340 CA VAL A 23 -5.796 -12.703 -0.210 1.00 0.00 C ATOM 341 C VAL A 23 -6.936 -11.969 0.474 1.00 0.00 C ATOM 342 O VAL A 23 -8.103 -12.350 0.367 1.00 0.00 O ATOM 343 CB VAL A 23 -6.113 -12.861 -1.713 1.00 0.00 C ATOM 344 CG1 VAL A 23 -6.031 -11.515 -2.419 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.166 -13.863 -2.361 1.00 0.00 C ATOM 0 H VAL A 23 -6.276 -14.677 0.305 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.884 -12.115 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.130 -13.241 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.257 -11.645 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.751 -10.827 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.026 -11.108 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.407 -13.959 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.139 -13.515 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.274 -14.833 -1.875 1.00 0.00 H new ATOM 355 N VAL A 24 -6.584 -10.897 1.167 1.00 0.00 N ATOM 356 CA VAL A 24 -7.563 -10.082 1.856 1.00 0.00 C ATOM 357 C VAL A 24 -7.781 -8.812 1.057 1.00 0.00 C ATOM 358 O VAL A 24 -6.864 -8.013 0.880 1.00 0.00 O ATOM 359 CB VAL A 24 -7.107 -9.737 3.289 1.00 0.00 C ATOM 360 CG1 VAL A 24 -5.777 -8.996 3.269 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.168 -8.925 4.016 1.00 0.00 C ATOM 0 H VAL A 24 -5.622 -10.573 1.265 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.494 -10.643 1.939 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.967 -10.671 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.475 -8.763 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.018 -9.623 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.884 -8.071 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.823 -8.695 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.351 -7.997 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.092 -9.501 4.072 1.00 0.00 H new ATOM 371 N VAL A 25 -8.989 -8.646 0.540 1.00 0.00 N ATOM 372 CA VAL A 25 -9.296 -7.487 -0.279 1.00 0.00 C ATOM 373 C VAL A 25 -10.468 -6.688 0.278 1.00 0.00 C ATOM 374 O VAL A 25 -11.220 -7.164 1.130 1.00 0.00 O ATOM 375 CB VAL A 25 -9.578 -7.913 -1.734 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.279 -8.202 -2.463 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.468 -9.138 -1.776 1.00 0.00 C ATOM 0 H VAL A 25 -9.766 -9.294 0.672 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.421 -6.837 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.092 -7.090 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.496 -8.501 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.659 -7.306 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.748 -9.007 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.652 -9.419 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.977 -9.962 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.416 -8.916 -1.286 1.00 0.00 H new ATOM 387 N ASP A 26 -10.603 -5.459 -0.204 1.00 0.00 N ATOM 388 CA ASP A 26 -11.666 -4.572 0.246 1.00 0.00 C ATOM 389 C ASP A 26 -12.446 -3.992 -0.927 1.00 0.00 C ATOM 390 O ASP A 26 -11.863 -3.445 -1.863 1.00 0.00 O ATOM 391 CB ASP A 26 -11.077 -3.440 1.089 1.00 0.00 C ATOM 392 CG ASP A 26 -12.128 -2.721 1.911 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.327 -3.027 1.739 1.00 0.00 O ATOM 394 OD2 ASP A 26 -11.753 -1.856 2.728 1.00 0.00 O ATOM 0 H ASP A 26 -9.987 -5.054 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.357 -5.158 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.315 -3.846 1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.580 -2.724 0.434 1.00 0.00 H new ATOM 399 N PHE A 27 -13.771 -4.077 -0.845 1.00 0.00 N ATOM 400 CA PHE A 27 -14.647 -3.530 -1.878 1.00 0.00 C ATOM 401 C PHE A 27 -15.134 -2.151 -1.439 1.00 0.00 C ATOM 402 O PHE A 27 -15.887 -2.035 -0.471 1.00 0.00 O ATOM 403 CB PHE A 27 -15.835 -4.463 -2.119 1.00 0.00 C ATOM 404 CG PHE A 27 -15.634 -5.357 -3.308 1.00 0.00 C ATOM 405 CD1 PHE A 27 -14.977 -6.571 -3.175 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.076 -4.971 -4.566 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.767 -7.384 -4.274 1.00 0.00 C ATOM 408 CE2 PHE A 27 -15.872 -5.784 -5.667 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.215 -6.992 -5.520 1.00 0.00 C ATOM 0 H PHE A 27 -14.264 -4.521 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.093 -3.439 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -15.997 -5.075 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.736 -3.868 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.626 -6.885 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.585 -4.026 -4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -14.252 -8.326 -4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.225 -5.476 -6.640 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.053 -7.628 -6.378 1.00 0.00 H new ATOM 419 N SER A 28 -14.675 -1.106 -2.122 1.00 0.00 N ATOM 420 CA SER A 28 -15.044 0.257 -1.755 1.00 0.00 C ATOM 421 C SER A 28 -15.776 0.982 -2.881 1.00 0.00 C ATOM 422 O SER A 28 -16.176 0.377 -3.876 1.00 0.00 O ATOM 423 CB SER A 28 -13.789 1.039 -1.362 1.00 0.00 C ATOM 424 OG SER A 28 -14.109 2.353 -0.943 1.00 0.00 O ATOM 0 H SER A 28 -14.052 -1.176 -2.926 1.00 0.00 H new ATOM 0 HA SER A 28 -15.729 0.197 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.269 0.516 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.105 1.082 -2.210 1.00 0.00 H new ATOM 0 HG SER A 28 -13.287 2.827 -0.697 1.00 0.00 H new ATOM 430 N ALA A 29 -15.939 2.291 -2.707 1.00 0.00 N ATOM 431 CA ALA A 29 -16.612 3.128 -3.692 1.00 0.00 C ATOM 432 C ALA A 29 -16.091 4.559 -3.635 1.00 0.00 C ATOM 433 O ALA A 29 -15.627 5.018 -2.591 1.00 0.00 O ATOM 434 CB ALA A 29 -18.118 3.106 -3.467 1.00 0.00 C ATOM 0 H ALA A 29 -15.610 2.797 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.399 2.725 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.606 3.736 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.485 2.084 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.342 3.483 -2.469 1.00 0.00 H new ATOM 440 N THR A 30 -16.202 5.272 -4.749 1.00 0.00 N ATOM 441 CA THR A 30 -15.772 6.664 -4.808 1.00 0.00 C ATOM 442 C THR A 30 -16.743 7.538 -4.021 1.00 0.00 C ATOM 443 O THR A 30 -16.351 8.501 -3.360 1.00 0.00 O ATOM 444 CB THR A 30 -15.700 7.132 -6.263 1.00 0.00 C ATOM 445 OG1 THR A 30 -16.726 6.531 -7.034 1.00 0.00 O ATOM 446 CG2 THR A 30 -14.378 6.810 -6.929 1.00 0.00 C ATOM 0 H THR A 30 -16.585 4.910 -5.622 1.00 0.00 H new ATOM 0 HA THR A 30 -14.780 6.749 -4.365 1.00 0.00 H new ATOM 0 HB THR A 30 -15.817 8.215 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.396 6.359 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.392 7.168 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.569 7.298 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.220 5.731 -6.922 1.00 0.00 H new ATOM 454 N TRP A 31 -18.023 7.187 -4.126 1.00 0.00 N ATOM 455 CA TRP A 31 -19.101 7.920 -3.463 1.00 0.00 C ATOM 456 C TRP A 31 -19.339 7.428 -2.030 1.00 0.00 C ATOM 457 O TRP A 31 -20.337 7.790 -1.405 1.00 0.00 O ATOM 458 CB TRP A 31 -20.388 7.759 -4.276 1.00 0.00 C ATOM 459 CG TRP A 31 -20.861 6.338 -4.328 1.00 0.00 C ATOM 460 CD1 TRP A 31 -20.451 5.359 -5.193 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.825 5.733 -3.460 1.00 0.00 C ATOM 462 NE1 TRP A 31 -21.099 4.180 -4.902 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.944 4.388 -3.847 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.594 6.195 -2.386 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.802 3.501 -3.205 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.446 5.311 -1.750 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.542 3.978 -2.161 1.00 0.00 C ATOM 0 H TRP A 31 -18.343 6.387 -4.672 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.808 8.968 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -21.169 8.383 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -20.220 8.120 -5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.728 5.492 -5.984 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -20.970 3.295 -5.393 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -22.523 7.222 -2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -22.880 2.471 -3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -24.047 5.656 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.215 3.312 -1.642 1.00 0.00 H new ATOM 478 N CYS A 32 -18.424 6.615 -1.507 1.00 0.00 N ATOM 479 CA CYS A 32 -18.555 6.104 -0.146 1.00 0.00 C ATOM 480 C CYS A 32 -17.735 6.940 0.831 1.00 0.00 C ATOM 481 O CYS A 32 -16.765 7.591 0.443 1.00 0.00 O ATOM 482 CB CYS A 32 -18.126 4.635 -0.067 1.00 0.00 C ATOM 483 SG CYS A 32 -18.620 3.803 1.478 1.00 0.00 S ATOM 0 H CYS A 32 -17.590 6.298 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.607 6.174 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.555 4.096 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.042 4.577 -0.169 1.00 0.00 H new ATOM 488 N GLY A 33 -18.126 6.907 2.101 1.00 0.00 N ATOM 489 CA GLY A 33 -17.413 7.659 3.119 1.00 0.00 C ATOM 490 C GLY A 33 -16.630 6.759 4.057 1.00 0.00 C ATOM 491 O GLY A 33 -15.402 6.822 4.098 1.00 0.00 O ATOM 0 H GLY A 33 -18.924 6.373 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.731 8.360 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.124 8.250 3.696 1.00 0.00 H new ATOM 495 N PRO A 34 -17.318 5.905 4.832 1.00 0.00 N ATOM 496 CA PRO A 34 -16.660 4.993 5.774 1.00 0.00 C ATOM 497 C PRO A 34 -15.739 4.006 5.066 1.00 0.00 C ATOM 498 O PRO A 34 -14.795 3.485 5.661 1.00 0.00 O ATOM 499 CB PRO A 34 -17.827 4.250 6.439 1.00 0.00 C ATOM 500 CG PRO A 34 -19.025 5.102 6.185 1.00 0.00 C ATOM 501 CD PRO A 34 -18.782 5.761 4.859 1.00 0.00 C ATOM 0 HA PRO A 34 -16.026 5.528 6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.954 3.254 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.654 4.121 7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.935 4.502 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.152 5.844 6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.144 5.151 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.285 6.725 4.788 1.00 0.00 H new ATOM 509 N CYS A 35 -16.019 3.754 3.791 1.00 0.00 N ATOM 510 CA CYS A 35 -15.217 2.829 2.998 1.00 0.00 C ATOM 511 C CYS A 35 -13.763 3.282 2.921 1.00 0.00 C ATOM 512 O CYS A 35 -12.843 2.479 3.083 1.00 0.00 O ATOM 513 CB CYS A 35 -15.787 2.710 1.582 1.00 0.00 C ATOM 514 SG CYS A 35 -17.505 2.105 1.510 1.00 0.00 S ATOM 0 H CYS A 35 -16.796 4.178 3.285 1.00 0.00 H new ATOM 0 HA CYS A 35 -15.253 1.857 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.738 3.687 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -15.153 2.038 1.004 1.00 0.00 H new ATOM 519 N LYS A 36 -13.561 4.568 2.661 1.00 0.00 N ATOM 520 CA LYS A 36 -12.217 5.124 2.550 1.00 0.00 C ATOM 521 C LYS A 36 -11.472 5.047 3.879 1.00 0.00 C ATOM 522 O LYS A 36 -10.241 5.030 3.907 1.00 0.00 O ATOM 523 CB LYS A 36 -12.281 6.578 2.072 1.00 0.00 C ATOM 524 CG LYS A 36 -12.259 6.727 0.556 1.00 0.00 C ATOM 525 CD LYS A 36 -13.366 7.647 0.067 1.00 0.00 C ATOM 526 CE LYS A 36 -13.169 9.069 0.565 1.00 0.00 C ATOM 527 NZ LYS A 36 -14.204 9.994 0.026 1.00 0.00 N ATOM 0 H LYS A 36 -14.310 5.246 2.523 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.671 4.528 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.189 7.039 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.439 7.127 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.292 7.122 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.369 5.747 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.390 7.642 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.330 7.271 0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.204 9.080 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.180 9.422 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.035 10.954 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.154 10.003 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.147 9.672 0.325 1.00 0.00 H new ATOM 541 N MET A 37 -12.214 5.023 4.983 1.00 0.00 N ATOM 542 CA MET A 37 -11.604 4.975 6.309 1.00 0.00 C ATOM 543 C MET A 37 -10.875 3.657 6.560 1.00 0.00 C ATOM 544 O MET A 37 -10.062 3.566 7.480 1.00 0.00 O ATOM 545 CB MET A 37 -12.664 5.187 7.391 1.00 0.00 C ATOM 546 CG MET A 37 -13.316 6.560 7.351 1.00 0.00 C ATOM 547 SD MET A 37 -12.299 7.841 8.112 1.00 0.00 S ATOM 548 CE MET A 37 -12.007 7.134 9.732 1.00 0.00 C ATOM 0 H MET A 37 -13.234 5.036 4.986 1.00 0.00 H new ATOM 0 HA MET A 37 -10.868 5.778 6.351 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.436 4.425 7.284 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.206 5.041 8.369 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.518 6.831 6.315 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.278 6.515 7.862 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.853 7.934 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.869 6.537 10.029 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.121 6.500 9.698 1.00 0.00 H new ATOM 558 N ILE A 38 -11.150 2.638 5.749 1.00 0.00 N ATOM 559 CA ILE A 38 -10.493 1.344 5.917 1.00 0.00 C ATOM 560 C ILE A 38 -9.154 1.307 5.180 1.00 0.00 C ATOM 561 O ILE A 38 -8.283 0.501 5.500 1.00 0.00 O ATOM 562 CB ILE A 38 -11.379 0.187 5.401 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.803 0.301 5.960 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.765 -1.158 5.767 1.00 0.00 C ATOM 565 CD1 ILE A 38 -12.931 -0.113 7.411 1.00 0.00 C ATOM 0 H ILE A 38 -11.816 2.681 4.977 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.324 1.214 6.986 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.435 0.257 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.142 1.332 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.469 -0.316 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.401 -1.961 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.776 -1.241 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.678 -1.235 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.967 -0.004 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.625 -1.153 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.293 0.520 8.028 1.00 0.00 H new ATOM 577 N LYS A 39 -8.997 2.187 4.191 1.00 0.00 N ATOM 578 CA LYS A 39 -7.765 2.255 3.404 1.00 0.00 C ATOM 579 C LYS A 39 -6.520 2.339 4.293 1.00 0.00 C ATOM 580 O LYS A 39 -5.632 1.490 4.207 1.00 0.00 O ATOM 581 CB LYS A 39 -7.810 3.451 2.448 1.00 0.00 C ATOM 582 CG LYS A 39 -7.729 3.061 0.978 1.00 0.00 C ATOM 583 CD LYS A 39 -8.184 4.196 0.071 1.00 0.00 C ATOM 584 CE LYS A 39 -7.041 5.144 -0.259 1.00 0.00 C ATOM 585 NZ LYS A 39 -6.213 4.646 -1.392 1.00 0.00 N ATOM 0 H LYS A 39 -9.709 2.864 3.915 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.697 1.333 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.733 4.006 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.985 4.124 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.704 2.785 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.348 2.182 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.593 3.783 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.988 4.750 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.444 6.125 -0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.411 5.273 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.446 5.321 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.807 3.721 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.808 4.547 -2.239 1.00 0.00 H new ATOM 599 N PRO A 40 -6.426 3.370 5.151 1.00 0.00 N ATOM 600 CA PRO A 40 -5.277 3.560 6.041 1.00 0.00 C ATOM 601 C PRO A 40 -4.889 2.291 6.796 1.00 0.00 C ATOM 602 O PRO A 40 -3.712 1.940 6.865 1.00 0.00 O ATOM 603 CB PRO A 40 -5.748 4.646 7.025 1.00 0.00 C ATOM 604 CG PRO A 40 -7.210 4.813 6.767 1.00 0.00 C ATOM 605 CD PRO A 40 -7.412 4.442 5.329 1.00 0.00 C ATOM 0 HA PRO A 40 -4.384 3.833 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.563 4.347 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.212 5.581 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.799 4.173 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.526 5.839 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.428 4.099 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.226 5.283 4.660 1.00 0.00 H new ATOM 613 N PHE A 41 -5.876 1.623 7.388 1.00 0.00 N ATOM 614 CA PHE A 41 -5.613 0.417 8.172 1.00 0.00 C ATOM 615 C PHE A 41 -5.431 -0.815 7.289 1.00 0.00 C ATOM 616 O PHE A 41 -4.684 -1.727 7.643 1.00 0.00 O ATOM 617 CB PHE A 41 -6.757 0.170 9.157 1.00 0.00 C ATOM 618 CG PHE A 41 -7.288 1.424 9.800 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.441 2.285 10.482 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.634 1.740 9.720 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.929 3.436 11.069 1.00 0.00 C ATOM 622 CE2 PHE A 41 -9.126 2.891 10.304 1.00 0.00 C ATOM 623 CZ PHE A 41 -8.273 3.740 10.980 1.00 0.00 C ATOM 0 H PHE A 41 -6.859 1.893 7.341 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.682 0.583 8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.571 -0.332 8.635 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.412 -0.509 9.937 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.389 2.053 10.555 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.307 1.079 9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.259 4.098 11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.178 3.127 10.232 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.656 4.640 11.438 1.00 0.00 H new ATOM 633 N PHE A 42 -6.094 -0.841 6.139 1.00 0.00 N ATOM 634 CA PHE A 42 -5.967 -1.972 5.225 1.00 0.00 C ATOM 635 C PHE A 42 -4.546 -2.044 4.682 1.00 0.00 C ATOM 636 O PHE A 42 -3.935 -3.111 4.642 1.00 0.00 O ATOM 637 CB PHE A 42 -6.962 -1.843 4.067 1.00 0.00 C ATOM 638 CG PHE A 42 -7.382 -3.157 3.463 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.259 -3.995 4.133 1.00 0.00 C ATOM 640 CD2 PHE A 42 -6.911 -3.547 2.216 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.661 -5.193 3.573 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.306 -4.748 1.654 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.184 -5.571 2.334 1.00 0.00 C ATOM 0 H PHE A 42 -6.719 -0.101 5.819 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.189 -2.888 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.850 -1.319 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.517 -1.224 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.633 -3.708 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.228 -2.905 1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.349 -5.834 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.929 -5.042 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.496 -6.508 1.897 1.00 0.00 H new ATOM 653 N HIS A 43 -4.032 -0.893 4.260 1.00 0.00 N ATOM 654 CA HIS A 43 -2.687 -0.805 3.705 1.00 0.00 C ATOM 655 C HIS A 43 -1.621 -1.101 4.757 1.00 0.00 C ATOM 656 O HIS A 43 -0.619 -1.755 4.466 1.00 0.00 O ATOM 657 CB HIS A 43 -2.457 0.582 3.105 1.00 0.00 C ATOM 658 CG HIS A 43 -1.804 0.544 1.758 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.431 0.903 0.586 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.548 0.166 1.409 1.00 0.00 C ATOM 661 CE1 HIS A 43 -1.557 0.733 -0.417 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.399 0.288 0.030 1.00 0.00 N ATOM 0 H HIS A 43 -4.531 -0.004 4.293 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.602 -1.559 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.414 1.098 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.837 1.166 3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.215 -0.175 2.093 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.773 0.934 -1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.433 0.077 -0.520 1.00 0.00 H new ATOM 670 N SER A 44 -1.829 -0.614 5.977 1.00 0.00 N ATOM 671 CA SER A 44 -0.869 -0.832 7.053 1.00 0.00 C ATOM 672 C SER A 44 -0.714 -2.319 7.348 1.00 0.00 C ATOM 673 O SER A 44 0.399 -2.813 7.529 1.00 0.00 O ATOM 674 CB SER A 44 -1.303 -0.085 8.316 1.00 0.00 C ATOM 675 OG SER A 44 -0.219 0.067 9.217 1.00 0.00 O ATOM 0 H SER A 44 -2.649 -0.069 6.244 1.00 0.00 H new ATOM 0 HA SER A 44 0.097 -0.443 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.695 0.895 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.112 -0.629 8.804 1.00 0.00 H new ATOM 0 HG SER A 44 -0.522 0.549 10.015 1.00 0.00 H new ATOM 681 N LEU A 45 -1.834 -3.033 7.394 1.00 0.00 N ATOM 682 CA LEU A 45 -1.803 -4.463 7.664 1.00 0.00 C ATOM 683 C LEU A 45 -0.972 -5.173 6.603 1.00 0.00 C ATOM 684 O LEU A 45 -0.196 -6.080 6.904 1.00 0.00 O ATOM 685 CB LEU A 45 -3.225 -5.032 7.686 1.00 0.00 C ATOM 686 CG LEU A 45 -4.055 -4.654 8.915 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.540 -4.688 8.587 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.745 -5.584 10.078 1.00 0.00 C ATOM 0 H LEU A 45 -2.767 -2.647 7.249 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.348 -4.626 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.750 -4.692 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.166 -6.119 7.626 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.790 -3.638 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.115 -4.417 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.752 -3.980 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.819 -5.692 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.345 -5.299 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.980 -6.610 9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.687 -5.510 10.331 1.00 0.00 H new ATOM 700 N SER A 46 -1.134 -4.738 5.359 1.00 0.00 N ATOM 701 CA SER A 46 -0.399 -5.309 4.239 1.00 0.00 C ATOM 702 C SER A 46 1.109 -5.238 4.469 1.00 0.00 C ATOM 703 O SER A 46 1.860 -6.068 3.955 1.00 0.00 O ATOM 704 CB SER A 46 -0.754 -4.566 2.951 1.00 0.00 C ATOM 705 OG SER A 46 -0.150 -5.179 1.825 1.00 0.00 O ATOM 0 H SER A 46 -1.773 -3.986 5.100 1.00 0.00 H new ATOM 0 HA SER A 46 -0.683 -6.358 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.836 -4.550 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.426 -3.529 3.024 1.00 0.00 H new ATOM 0 HG SER A 46 0.654 -4.679 1.573 1.00 0.00 H new ATOM 711 N GLU A 47 1.552 -4.243 5.235 1.00 0.00 N ATOM 712 CA GLU A 47 2.976 -4.073 5.511 1.00 0.00 C ATOM 713 C GLU A 47 3.421 -4.914 6.705 1.00 0.00 C ATOM 714 O GLU A 47 4.608 -5.207 6.853 1.00 0.00 O ATOM 715 CB GLU A 47 3.294 -2.598 5.768 1.00 0.00 C ATOM 716 CG GLU A 47 3.601 -1.806 4.505 1.00 0.00 C ATOM 717 CD GLU A 47 3.360 -0.318 4.674 1.00 0.00 C ATOM 718 OE1 GLU A 47 4.153 0.337 5.382 1.00 0.00 O ATOM 719 OE2 GLU A 47 2.377 0.194 4.096 1.00 0.00 O ATOM 0 H GLU A 47 0.949 -3.546 5.673 1.00 0.00 H new ATOM 0 HA GLU A 47 3.525 -4.415 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.448 -2.137 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.147 -2.532 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.640 -1.972 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.984 -2.179 3.688 1.00 0.00 H new ATOM 726 N LYS A 48 2.470 -5.308 7.546 1.00 0.00 N ATOM 727 CA LYS A 48 2.785 -6.123 8.715 1.00 0.00 C ATOM 728 C LYS A 48 2.567 -7.598 8.401 1.00 0.00 C ATOM 729 O LYS A 48 3.118 -8.478 9.064 1.00 0.00 O ATOM 730 CB LYS A 48 1.918 -5.710 9.906 1.00 0.00 C ATOM 731 CG LYS A 48 2.372 -6.317 11.223 1.00 0.00 C ATOM 732 CD LYS A 48 1.381 -6.038 12.340 1.00 0.00 C ATOM 733 CE LYS A 48 0.414 -7.196 12.530 1.00 0.00 C ATOM 734 NZ LYS A 48 0.812 -8.081 13.660 1.00 0.00 N ATOM 0 H LYS A 48 1.482 -5.078 7.442 1.00 0.00 H new ATOM 0 HA LYS A 48 3.832 -5.965 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.927 -4.624 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.886 -6.006 9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.494 -7.394 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.348 -5.913 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.921 -5.857 13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.822 -5.130 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.587 -6.805 12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.366 -7.781 11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.125 -8.856 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.756 -8.476 13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.833 -7.530 14.542 1.00 0.00 H new ATOM 748 N TYR A 49 1.768 -7.854 7.369 1.00 0.00 N ATOM 749 CA TYR A 49 1.469 -9.213 6.935 1.00 0.00 C ATOM 750 C TYR A 49 2.371 -9.614 5.770 1.00 0.00 C ATOM 751 O TYR A 49 2.070 -9.320 4.613 1.00 0.00 O ATOM 752 CB TYR A 49 0.008 -9.322 6.493 1.00 0.00 C ATOM 753 CG TYR A 49 -0.957 -9.638 7.615 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.371 -8.653 8.501 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.457 -10.924 7.783 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.256 -8.939 9.524 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.344 -11.218 8.800 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.740 -10.221 9.669 1.00 0.00 C ATOM 759 OH TYR A 49 -3.625 -10.509 10.681 1.00 0.00 O ATOM 0 H TYR A 49 1.313 -7.130 6.814 1.00 0.00 H new ATOM 0 HA TYR A 49 1.646 -9.882 7.777 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.290 -8.383 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.072 -10.097 5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.996 -7.647 8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.147 -11.707 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.566 -8.161 10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.726 -12.222 8.915 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.869 -11.457 10.642 1.00 0.00 H new ATOM 769 N SER A 50 3.468 -10.296 6.079 1.00 0.00 N ATOM 770 CA SER A 50 4.399 -10.747 5.053 1.00 0.00 C ATOM 771 C SER A 50 4.062 -12.174 4.633 1.00 0.00 C ATOM 772 O SER A 50 4.936 -13.038 4.553 1.00 0.00 O ATOM 773 CB SER A 50 5.837 -10.667 5.569 1.00 0.00 C ATOM 774 OG SER A 50 6.770 -10.754 4.506 1.00 0.00 O ATOM 0 H SER A 50 3.734 -10.548 7.031 1.00 0.00 H new ATOM 0 HA SER A 50 4.308 -10.096 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.981 -9.730 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.016 -11.473 6.280 1.00 0.00 H new ATOM 0 HG SER A 50 6.619 -11.583 4.006 1.00 0.00 H new ATOM 780 N ASN A 51 2.781 -12.402 4.355 1.00 0.00 N ATOM 781 CA ASN A 51 2.299 -13.710 3.933 1.00 0.00 C ATOM 782 C ASN A 51 1.057 -13.565 3.051 1.00 0.00 C ATOM 783 O ASN A 51 0.902 -14.271 2.055 1.00 0.00 O ATOM 784 CB ASN A 51 1.975 -14.578 5.153 1.00 0.00 C ATOM 785 CG ASN A 51 1.915 -16.057 4.816 1.00 0.00 C ATOM 786 OD1 ASN A 51 1.329 -16.449 3.807 1.00 0.00 O ATOM 787 ND2 ASN A 51 2.526 -16.885 5.657 1.00 0.00 N ATOM 0 H ASN A 51 2.054 -11.689 4.416 1.00 0.00 H new ATOM 0 HA ASN A 51 3.085 -14.194 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.730 -14.414 5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.019 -14.266 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.521 -17.889 5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.000 -16.516 6.482 1.00 0.00 H new ATOM 794 N VAL A 52 0.170 -12.647 3.438 1.00 0.00 N ATOM 795 CA VAL A 52 -1.071 -12.406 2.704 1.00 0.00 C ATOM 796 C VAL A 52 -0.939 -11.244 1.726 1.00 0.00 C ATOM 797 O VAL A 52 -0.121 -10.345 1.918 1.00 0.00 O ATOM 798 CB VAL A 52 -2.233 -12.102 3.673 1.00 0.00 C ATOM 799 CG1 VAL A 52 -2.330 -13.175 4.744 1.00 0.00 C ATOM 800 CG2 VAL A 52 -2.068 -10.728 4.310 1.00 0.00 C ATOM 0 H VAL A 52 0.290 -12.056 4.260 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.280 -13.317 2.144 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.159 -12.100 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.155 -12.943 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.506 -14.143 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.399 -13.210 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.900 -10.539 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.131 -10.695 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.054 -9.965 3.531 1.00 0.00 H new ATOM 810 N ILE A 53 -1.761 -11.267 0.682 1.00 0.00 N ATOM 811 CA ILE A 53 -1.746 -10.214 -0.324 1.00 0.00 C ATOM 812 C ILE A 53 -2.957 -9.295 -0.167 1.00 0.00 C ATOM 813 O ILE A 53 -4.102 -9.709 -0.356 1.00 0.00 O ATOM 814 CB ILE A 53 -1.682 -10.806 -1.758 1.00 0.00 C ATOM 815 CG1 ILE A 53 -0.988 -9.830 -2.706 1.00 0.00 C ATOM 816 CG2 ILE A 53 -3.063 -11.172 -2.290 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.520 -9.916 -2.658 1.00 0.00 C ATOM 0 H ILE A 53 -2.445 -12.004 0.512 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.846 -9.619 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.101 -11.726 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.323 -10.024 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.295 -8.814 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.969 -11.582 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.519 -11.915 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.690 -10.281 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.948 -9.196 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.865 -9.693 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.836 -10.922 -2.935 1.00 0.00 H new ATOM 829 N PHE A 54 -2.681 -8.043 0.192 1.00 0.00 N ATOM 830 CA PHE A 54 -3.720 -7.035 0.395 1.00 0.00 C ATOM 831 C PHE A 54 -3.890 -6.195 -0.866 1.00 0.00 C ATOM 832 O PHE A 54 -2.974 -5.468 -1.247 1.00 0.00 O ATOM 833 CB PHE A 54 -3.308 -6.079 1.525 1.00 0.00 C ATOM 834 CG PHE A 54 -3.701 -6.475 2.928 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.146 -7.578 3.571 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.616 -5.698 3.619 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.506 -7.886 4.873 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.982 -6.008 4.914 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.425 -7.101 5.542 1.00 0.00 C ATOM 0 H PHE A 54 -1.734 -7.699 0.350 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.647 -7.552 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.224 -5.964 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.738 -5.100 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.430 -8.198 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.051 -4.835 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.067 -8.741 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.703 -5.395 5.434 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.707 -7.344 6.556 1.00 0.00 H new ATOM 849 N LEU A 55 -5.058 -6.252 -1.499 1.00 0.00 N ATOM 850 CA LEU A 55 -5.277 -5.443 -2.688 1.00 0.00 C ATOM 851 C LEU A 55 -6.546 -4.619 -2.574 1.00 0.00 C ATOM 852 O LEU A 55 -7.356 -4.820 -1.668 1.00 0.00 O ATOM 853 CB LEU A 55 -5.242 -6.283 -3.967 1.00 0.00 C ATOM 854 CG LEU A 55 -6.579 -6.627 -4.623 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.818 -5.735 -5.831 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.585 -8.087 -5.042 1.00 0.00 C ATOM 0 H LEU A 55 -5.847 -6.834 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.447 -4.740 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.634 -5.753 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.728 -7.217 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.380 -6.459 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.774 -5.991 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.834 -4.692 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.018 -5.882 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.540 -8.328 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.778 -8.265 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.441 -8.718 -4.165 1.00 0.00 H new ATOM 868 N GLU A 56 -6.677 -3.646 -3.460 1.00 0.00 N ATOM 869 CA GLU A 56 -7.805 -2.732 -3.419 1.00 0.00 C ATOM 870 C GLU A 56 -8.708 -2.830 -4.638 1.00 0.00 C ATOM 871 O GLU A 56 -8.282 -2.564 -5.762 1.00 0.00 O ATOM 872 CB GLU A 56 -7.254 -1.320 -3.335 1.00 0.00 C ATOM 873 CG GLU A 56 -8.055 -0.383 -2.446 1.00 0.00 C ATOM 874 CD GLU A 56 -7.646 -0.468 -0.989 1.00 0.00 C ATOM 875 OE1 GLU A 56 -7.713 -1.576 -0.417 1.00 0.00 O ATOM 876 OE2 GLU A 56 -7.260 0.575 -0.419 1.00 0.00 O ATOM 0 H GLU A 56 -6.016 -3.469 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.414 -2.996 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.230 -1.365 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.212 -0.900 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.927 0.641 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.115 -0.621 -2.536 1.00 0.00 H new ATOM 883 N VAL A 57 -9.969 -3.177 -4.414 1.00 0.00 N ATOM 884 CA VAL A 57 -10.923 -3.264 -5.508 1.00 0.00 C ATOM 885 C VAL A 57 -12.034 -2.235 -5.358 1.00 0.00 C ATOM 886 O VAL A 57 -12.791 -2.252 -4.389 1.00 0.00 O ATOM 887 CB VAL A 57 -11.568 -4.657 -5.629 1.00 0.00 C ATOM 888 CG1 VAL A 57 -12.080 -4.849 -7.042 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.589 -5.763 -5.262 1.00 0.00 C ATOM 0 H VAL A 57 -10.350 -3.400 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.346 -3.067 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.399 -4.716 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.538 -5.834 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.821 -4.082 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.250 -4.769 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.080 -6.731 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.729 -5.724 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.256 -5.627 -4.233 1.00 0.00 H new ATOM 899 N ASP A 58 -12.129 -1.337 -6.327 1.00 0.00 N ATOM 900 CA ASP A 58 -13.154 -0.309 -6.313 1.00 0.00 C ATOM 901 C ASP A 58 -14.290 -0.735 -7.230 1.00 0.00 C ATOM 902 O ASP A 58 -14.075 -1.005 -8.409 1.00 0.00 O ATOM 903 CB ASP A 58 -12.568 1.033 -6.762 1.00 0.00 C ATOM 904 CG ASP A 58 -13.613 2.130 -6.849 1.00 0.00 C ATOM 905 OD1 ASP A 58 -14.741 1.917 -6.358 1.00 0.00 O ATOM 906 OD2 ASP A 58 -13.301 3.204 -7.406 1.00 0.00 O ATOM 0 H ASP A 58 -11.506 -1.301 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.536 -0.184 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.787 1.335 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.095 0.910 -7.736 1.00 0.00 H new ATOM 911 N VAL A 59 -15.493 -0.832 -6.677 1.00 0.00 N ATOM 912 CA VAL A 59 -16.645 -1.264 -7.455 1.00 0.00 C ATOM 913 C VAL A 59 -16.921 -0.326 -8.627 1.00 0.00 C ATOM 914 O VAL A 59 -17.595 -0.706 -9.585 1.00 0.00 O ATOM 915 CB VAL A 59 -17.905 -1.389 -6.575 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.286 -0.039 -5.990 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.060 -1.992 -7.366 1.00 0.00 C ATOM 0 H VAL A 59 -15.694 -0.619 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.400 -2.248 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.680 -2.062 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.177 -0.149 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.465 0.338 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.489 0.664 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.938 -2.071 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.289 -1.353 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.780 -2.984 -7.720 1.00 0.00 H new ATOM 927 N ASP A 60 -16.387 0.889 -8.564 1.00 0.00 N ATOM 928 CA ASP A 60 -16.572 1.848 -9.645 1.00 0.00 C ATOM 929 C ASP A 60 -15.875 1.341 -10.901 1.00 0.00 C ATOM 930 O ASP A 60 -16.388 1.474 -12.013 1.00 0.00 O ATOM 931 CB ASP A 60 -16.014 3.217 -9.250 1.00 0.00 C ATOM 932 CG ASP A 60 -16.736 4.360 -9.936 1.00 0.00 C ATOM 933 OD1 ASP A 60 -17.222 4.164 -11.069 1.00 0.00 O ATOM 934 OD2 ASP A 60 -16.816 5.454 -9.338 1.00 0.00 O ATOM 0 H ASP A 60 -15.827 1.230 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.639 1.956 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.092 3.339 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.954 3.259 -9.500 1.00 0.00 H new ATOM 939 N ASP A 61 -14.703 0.747 -10.703 1.00 0.00 N ATOM 940 CA ASP A 61 -13.917 0.196 -11.800 1.00 0.00 C ATOM 941 C ASP A 61 -14.146 -1.306 -11.920 1.00 0.00 C ATOM 942 O ASP A 61 -14.182 -1.859 -13.019 1.00 0.00 O ATOM 943 CB ASP A 61 -12.430 0.479 -11.579 1.00 0.00 C ATOM 944 CG ASP A 61 -12.148 1.950 -11.351 1.00 0.00 C ATOM 945 OD1 ASP A 61 -12.562 2.771 -12.197 1.00 0.00 O ATOM 946 OD2 ASP A 61 -11.517 2.282 -10.326 1.00 0.00 O ATOM 0 H ASP A 61 -14.274 0.635 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.237 0.674 -12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.078 -0.093 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.865 0.134 -12.445 1.00 0.00 H new ATOM 951 N ALA A 62 -14.296 -1.960 -10.773 1.00 0.00 N ATOM 952 CA ALA A 62 -14.521 -3.396 -10.729 1.00 0.00 C ATOM 953 C ALA A 62 -16.008 -3.706 -10.617 1.00 0.00 C ATOM 954 O ALA A 62 -16.421 -4.565 -9.836 1.00 0.00 O ATOM 955 CB ALA A 62 -13.758 -4.007 -9.565 1.00 0.00 C ATOM 0 H ALA A 62 -14.265 -1.513 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.154 -3.834 -11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.933 -5.083 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.692 -3.815 -9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.101 -3.562 -8.631 1.00 0.00 H new ATOM 961 N GLN A 63 -16.808 -2.991 -11.398 1.00 0.00 N ATOM 962 CA GLN A 63 -18.255 -3.170 -11.392 1.00 0.00 C ATOM 963 C GLN A 63 -18.656 -4.504 -12.013 1.00 0.00 C ATOM 964 O GLN A 63 -19.817 -4.905 -11.935 1.00 0.00 O ATOM 965 CB GLN A 63 -18.932 -2.024 -12.144 1.00 0.00 C ATOM 966 CG GLN A 63 -20.358 -1.757 -11.693 1.00 0.00 C ATOM 967 CD GLN A 63 -20.866 -0.398 -12.132 1.00 0.00 C ATOM 968 OE1 GLN A 63 -20.138 0.380 -12.747 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.121 -0.106 -11.814 1.00 0.00 N ATOM 0 H GLN A 63 -16.477 -2.278 -12.047 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.585 -3.167 -10.353 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.343 -1.117 -12.013 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -18.934 -2.251 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -21.012 -2.531 -12.093 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -20.410 -1.826 -10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.688 -0.782 -11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.518 0.795 -12.081 1.00 0.00 H new ATOM 978 N ASP A 64 -17.697 -5.189 -12.631 1.00 0.00 N ATOM 979 CA ASP A 64 -17.970 -6.474 -13.264 1.00 0.00 C ATOM 980 C ASP A 64 -17.669 -7.633 -12.317 1.00 0.00 C ATOM 981 O ASP A 64 -18.221 -8.722 -12.471 1.00 0.00 O ATOM 982 CB ASP A 64 -17.147 -6.623 -14.546 1.00 0.00 C ATOM 983 CG ASP A 64 -17.877 -6.093 -15.764 1.00 0.00 C ATOM 984 OD1 ASP A 64 -19.096 -6.339 -15.877 1.00 0.00 O ATOM 985 OD2 ASP A 64 -17.231 -5.432 -16.604 1.00 0.00 O ATOM 0 H ASP A 64 -16.729 -4.877 -12.706 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.031 -6.502 -13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.202 -6.092 -14.432 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.905 -7.675 -14.699 1.00 0.00 H new ATOM 990 N VAL A 65 -16.801 -7.402 -11.332 1.00 0.00 N ATOM 991 CA VAL A 65 -16.458 -8.452 -10.374 1.00 0.00 C ATOM 992 C VAL A 65 -17.545 -8.602 -9.313 1.00 0.00 C ATOM 993 O VAL A 65 -17.958 -9.716 -8.996 1.00 0.00 O ATOM 994 CB VAL A 65 -15.087 -8.211 -9.697 1.00 0.00 C ATOM 995 CG1 VAL A 65 -13.963 -8.651 -10.623 1.00 0.00 C ATOM 996 CG2 VAL A 65 -14.911 -6.755 -9.304 1.00 0.00 C ATOM 0 H VAL A 65 -16.329 -6.511 -11.178 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.385 -9.378 -10.944 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.051 -8.807 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.003 -8.477 -10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.070 -9.712 -10.846 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.010 -8.079 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.938 -6.621 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -14.972 -6.128 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.697 -6.469 -8.604 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.001 -7.481 -8.754 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.032 -7.505 -7.717 1.00 0.00 C ATOM 1008 C ALA A 66 -20.238 -8.350 -8.124 1.00 0.00 C ATOM 1009 O ALA A 66 -20.609 -9.290 -7.425 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.482 -6.084 -7.405 1.00 0.00 C ATOM 0 H ALA A 66 -17.674 -6.547 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.594 -7.962 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.250 -6.107 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.630 -5.502 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.888 -5.625 -8.306 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.868 -8.025 -9.260 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.039 -8.758 -9.754 1.00 0.00 C ATOM 1018 C PRO A 67 -21.797 -10.262 -9.801 1.00 0.00 C ATOM 1019 O PRO A 67 -22.724 -11.057 -9.648 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.237 -8.187 -11.158 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.684 -6.807 -11.063 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.494 -6.920 -10.160 1.00 0.00 C ATOM 0 HA PRO A 67 -22.910 -8.638 -9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.711 -8.778 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.290 -8.177 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.398 -6.429 -12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -22.422 -6.115 -10.657 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.584 -7.143 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -20.314 -5.995 -9.611 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.542 -10.642 -9.990 1.00 0.00 N ATOM 1031 CA LYS A 68 -20.168 -12.050 -10.031 1.00 0.00 C ATOM 1032 C LYS A 68 -20.143 -12.651 -8.624 1.00 0.00 C ATOM 1033 O LYS A 68 -20.184 -13.871 -8.464 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.804 -12.220 -10.700 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.887 -12.344 -12.214 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.567 -11.995 -12.882 1.00 0.00 C ATOM 1037 CE LYS A 68 -16.561 -13.125 -12.746 1.00 0.00 C ATOM 1038 NZ LYS A 68 -16.953 -14.317 -13.549 1.00 0.00 N ATOM 0 H LYS A 68 -19.764 -9.995 -10.118 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.918 -12.581 -10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.174 -11.367 -10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.317 -13.108 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.171 -13.362 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.670 -11.686 -12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.737 -11.782 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.160 -11.088 -12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.579 -12.778 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.472 -13.407 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.122 -14.925 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.688 -14.851 -13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.323 -14.008 -14.471 1.00 0.00 H new ATOM 1052 N TYR A 69 -20.067 -11.786 -7.606 1.00 0.00 N ATOM 1053 CA TYR A 69 -20.025 -12.220 -6.203 1.00 0.00 C ATOM 1054 C TYR A 69 -21.252 -11.746 -5.430 1.00 0.00 C ATOM 1055 O TYR A 69 -21.462 -12.129 -4.279 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.781 -11.651 -5.528 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.489 -12.201 -6.081 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -17.151 -13.536 -5.914 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.615 -11.385 -6.787 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -15.976 -14.045 -6.434 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -15.438 -11.882 -7.308 1.00 0.00 C ATOM 1062 CZ TYR A 69 -15.124 -13.214 -7.132 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.955 -13.715 -7.653 1.00 0.00 O ATOM 0 H TYR A 69 -20.033 -10.774 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.006 -13.310 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.782 -10.567 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.829 -11.862 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.817 -14.188 -5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.861 -10.343 -6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.726 -15.086 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.767 -11.233 -7.850 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.259 -13.707 -6.963 1.00 0.00 H new ATOM 1073 N GLY A 70 -22.058 -10.919 -6.070 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.255 -10.409 -5.436 1.00 0.00 C ATOM 1075 C GLY A 70 -22.962 -9.538 -4.226 1.00 0.00 C ATOM 1076 O GLY A 70 -23.677 -9.605 -3.226 1.00 0.00 O ATOM 0 H GLY A 70 -21.905 -10.589 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.826 -9.831 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.882 -11.246 -5.130 1.00 0.00 H new ATOM 1080 N ILE A 71 -21.928 -8.702 -4.318 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.574 -7.804 -3.221 1.00 0.00 C ATOM 1082 C ILE A 71 -22.532 -6.617 -3.183 1.00 0.00 C ATOM 1083 O ILE A 71 -22.208 -5.535 -3.674 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.131 -7.270 -3.361 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.135 -8.422 -3.489 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -19.770 -6.386 -2.174 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.745 -7.968 -3.878 1.00 0.00 C ATOM 0 H ILE A 71 -21.324 -8.628 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.646 -8.379 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.079 -6.670 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.083 -8.956 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.501 -9.129 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -18.750 -6.019 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.457 -5.541 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -19.845 -6.965 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.087 -8.834 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.785 -7.459 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.361 -7.284 -3.122 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.720 -6.823 -2.622 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.717 -5.761 -2.555 1.00 0.00 C ATOM 1101 C ARG A 72 -24.540 -4.895 -1.308 1.00 0.00 C ATOM 1102 O ARG A 72 -25.277 -5.033 -0.331 1.00 0.00 O ATOM 1103 CB ARG A 72 -26.128 -6.356 -2.585 1.00 0.00 C ATOM 1104 CG ARG A 72 -27.227 -5.309 -2.694 1.00 0.00 C ATOM 1105 CD ARG A 72 -28.315 -5.738 -3.670 1.00 0.00 C ATOM 1106 NE ARG A 72 -29.534 -4.946 -3.515 1.00 0.00 N ATOM 1107 CZ ARG A 72 -30.337 -5.021 -2.457 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -30.043 -5.835 -1.449 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -31.433 -4.275 -2.405 1.00 0.00 N ATOM 0 H ARG A 72 -24.014 -7.709 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.576 -5.122 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.206 -7.042 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.285 -6.943 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.666 -5.138 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.797 -4.362 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -27.946 -5.639 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.546 -6.792 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.783 -4.298 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.198 -6.406 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.662 -5.889 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.659 -3.646 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.050 -4.331 -1.595 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.558 -3.998 -1.362 1.00 0.00 N ATOM 1124 CA GLY A 73 -23.296 -3.107 -0.244 1.00 0.00 C ATOM 1125 C GLY A 73 -21.817 -2.844 -0.025 1.00 0.00 C ATOM 1126 O GLY A 73 -20.966 -3.583 -0.519 1.00 0.00 O ATOM 0 H GLY A 73 -22.938 -3.872 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.806 -2.159 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.720 -3.538 0.663 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.516 -1.783 0.723 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.135 -1.407 1.020 1.00 0.00 C ATOM 1132 C ILE A 74 -20.024 -0.804 2.421 1.00 0.00 C ATOM 1133 O ILE A 74 -21.011 -0.296 2.955 1.00 0.00 O ATOM 1134 CB ILE A 74 -19.603 -0.390 -0.010 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -20.486 0.859 -0.029 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -19.541 -1.018 -1.392 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -20.009 1.924 -0.993 1.00 0.00 C ATOM 0 H ILE A 74 -22.215 -1.166 1.136 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.534 -2.315 0.969 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.594 -0.097 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -21.503 0.571 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -20.525 1.281 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.164 -0.287 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.876 -1.881 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.539 -1.337 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -20.683 2.780 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -19.003 2.241 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -19.996 1.519 -2.005 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.826 -0.844 3.050 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.609 -1.431 2.484 1.00 0.00 C ATOM 1151 C PRO A 75 -17.495 -2.924 2.769 1.00 0.00 C ATOM 1152 O PRO A 75 -17.384 -3.333 3.925 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.475 -0.682 3.212 1.00 0.00 C ATOM 1154 CG PRO A 75 -17.129 0.149 4.278 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.561 -0.305 4.384 1.00 0.00 C ATOM 0 HA PRO A 75 -17.588 -1.334 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.764 -1.384 3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -15.917 -0.054 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.615 0.025 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.079 1.208 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.690 -1.060 5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -19.230 0.520 4.628 1.00 0.00 H new ATOM 1163 N THR A 76 -17.514 -3.734 1.718 1.00 0.00 N ATOM 1164 CA THR A 76 -17.400 -5.179 1.868 1.00 0.00 C ATOM 1165 C THR A 76 -15.941 -5.634 1.856 1.00 0.00 C ATOM 1166 O THR A 76 -15.145 -5.182 1.033 1.00 0.00 O ATOM 1167 CB THR A 76 -18.167 -5.891 0.751 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.182 -5.056 0.228 1.00 0.00 O ATOM 1169 CG2 THR A 76 -18.820 -7.181 1.200 1.00 0.00 C ATOM 0 H THR A 76 -17.607 -3.415 0.754 1.00 0.00 H new ATOM 0 HA THR A 76 -17.831 -5.442 2.834 1.00 0.00 H new ATOM 0 HB THR A 76 -17.419 -6.126 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.870 -4.911 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.347 -7.634 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.056 -7.869 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.528 -6.971 2.001 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.611 -6.562 2.742 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.269 -7.118 2.802 1.00 0.00 C ATOM 1179 C LEU A 77 -14.322 -8.539 2.262 1.00 0.00 C ATOM 1180 O LEU A 77 -15.133 -9.351 2.709 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.724 -7.097 4.239 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.426 -6.307 4.437 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.720 -4.835 4.678 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -11.627 -6.884 5.597 1.00 0.00 C ATOM 0 H LEU A 77 -16.257 -6.946 3.431 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.592 -6.514 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.488 -6.678 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.557 -8.125 4.561 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.833 -6.392 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.783 -4.295 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.253 -4.425 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.335 -4.728 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.708 -6.313 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.220 -6.828 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.381 -7.925 5.387 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.485 -8.828 1.277 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.481 -10.148 0.661 1.00 0.00 C ATOM 1198 C LEU A 78 -12.174 -10.886 0.920 1.00 0.00 C ATOM 1199 O LEU A 78 -11.085 -10.331 0.766 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.708 -10.024 -0.853 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.170 -9.908 -1.320 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.279 -10.267 -2.794 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.092 -10.795 -0.493 1.00 0.00 C ATOM 0 H LEU A 78 -12.805 -8.174 0.889 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.291 -10.723 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.165 -9.148 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.263 -10.893 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.486 -8.874 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.318 -10.181 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.662 -9.587 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.936 -11.290 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.116 -10.688 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.780 -11.835 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.040 -10.497 0.554 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.296 -12.148 1.307 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.138 -12.981 1.583 1.00 0.00 C ATOM 1217 C LEU A 79 -11.061 -14.115 0.572 1.00 0.00 C ATOM 1218 O LEU A 79 -11.954 -14.959 0.504 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.222 -13.548 3.000 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.381 -12.819 4.049 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.898 -13.013 3.774 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.731 -11.339 4.080 1.00 0.00 C ATOM 0 H LEU A 79 -13.192 -12.618 1.437 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.238 -12.371 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.264 -13.531 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.914 -14.593 2.974 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.607 -13.245 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.316 -12.487 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.658 -14.076 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.656 -12.615 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.123 -10.837 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.536 -10.898 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.786 -11.220 4.328 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.992 -14.125 -0.214 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.806 -15.152 -1.233 1.00 0.00 C ATOM 1236 C PHE A 80 -8.702 -16.129 -0.844 1.00 0.00 C ATOM 1237 O PHE A 80 -7.744 -15.767 -0.161 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.477 -14.498 -2.579 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.681 -13.969 -3.302 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.133 -12.681 -3.063 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.360 -14.756 -4.220 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.240 -12.186 -3.725 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.469 -14.266 -4.885 1.00 0.00 C ATOM 1244 CZ PHE A 80 -12.910 -12.979 -4.638 1.00 0.00 C ATOM 0 H PHE A 80 -9.242 -13.436 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.736 -15.714 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.775 -13.681 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.974 -15.227 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.614 -12.057 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.019 -15.762 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.582 -11.180 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.991 -14.888 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.776 -12.594 -5.157 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.855 -17.375 -1.283 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.887 -18.425 -0.990 1.00 0.00 C ATOM 1256 C LYS A 81 -7.831 -19.428 -2.141 1.00 0.00 C ATOM 1257 O LYS A 81 -8.803 -20.132 -2.407 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.268 -19.133 0.311 1.00 0.00 C ATOM 1259 CG LYS A 81 -7.076 -19.574 1.142 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.282 -19.259 2.616 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.962 -19.239 3.369 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.342 -20.592 3.442 1.00 0.00 N ATOM 0 H LYS A 81 -9.647 -17.683 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.901 -17.976 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.888 -18.465 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.876 -20.006 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.918 -20.645 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.176 -19.075 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.775 -18.292 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.944 -20.003 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.274 -18.551 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.125 -18.860 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.078 -20.800 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.022 -21.304 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.492 -20.617 2.843 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.695 -19.481 -2.832 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.536 -20.393 -3.963 1.00 0.00 C ATOM 1278 C ASN A 82 -7.599 -20.112 -5.023 1.00 0.00 C ATOM 1279 O ASN A 82 -8.219 -21.032 -5.557 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.625 -21.851 -3.500 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.924 -22.093 -2.175 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -4.628 -21.801 -2.120 1.00 0.00 O flip ATOM 1283 ND2 ASN A 82 -6.543 -22.539 -1.209 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.876 -18.908 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.551 -20.229 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.673 -22.135 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.186 -22.496 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.537 -22.750 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.062 -22.698 -0.324 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.777 -18.832 -5.345 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.740 -18.447 -6.361 1.00 0.00 C ATOM 1292 C GLY A 83 -10.187 -18.597 -5.926 1.00 0.00 C ATOM 1293 O GLY A 83 -11.099 -18.382 -6.723 1.00 0.00 O ATOM 0 H GLY A 83 -7.271 -18.056 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.561 -17.409 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.574 -19.052 -7.252 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.409 -18.984 -4.675 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.766 -19.172 -4.179 1.00 0.00 C ATOM 1299 C GLU A 84 -12.016 -18.371 -2.904 1.00 0.00 C ATOM 1300 O GLU A 84 -11.157 -18.291 -2.026 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.030 -20.659 -3.925 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.477 -21.073 -4.150 1.00 0.00 C ATOM 1303 CD GLU A 84 -13.969 -22.053 -3.102 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -13.608 -21.886 -1.919 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -14.715 -22.987 -3.466 1.00 0.00 O ATOM 0 H GLU A 84 -9.675 -19.172 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.453 -18.806 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.387 -21.249 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.749 -20.898 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.111 -20.187 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.574 -21.523 -5.138 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.211 -17.797 -2.807 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.597 -17.007 -1.638 1.00 0.00 C ATOM 1314 C VAL A 85 -13.745 -17.897 -0.402 1.00 0.00 C ATOM 1315 O VAL A 85 -14.567 -18.814 -0.386 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.919 -16.249 -1.875 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -16.062 -17.219 -2.136 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -15.236 -15.344 -0.692 1.00 0.00 C ATOM 0 H VAL A 85 -13.932 -17.863 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.802 -16.281 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.800 -15.625 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.983 -16.660 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.838 -17.816 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.185 -17.876 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.172 -14.817 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.331 -15.946 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.432 -14.620 -0.562 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.945 -17.639 0.630 1.00 0.00 N ATOM 1329 CA ALA A 86 -13.003 -18.440 1.850 1.00 0.00 C ATOM 1330 C ALA A 86 -13.422 -17.619 3.066 1.00 0.00 C ATOM 1331 O ALA A 86 -13.328 -18.083 4.203 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.663 -19.113 2.095 1.00 0.00 C ATOM 0 H ALA A 86 -12.255 -16.888 0.647 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.769 -19.202 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.716 -19.708 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.422 -19.761 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.889 -18.353 2.202 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.891 -16.405 2.819 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.334 -15.521 3.893 1.00 0.00 C ATOM 1340 C ALA A 87 -14.982 -14.254 3.340 1.00 0.00 C ATOM 1341 O ALA A 87 -14.512 -13.682 2.356 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.169 -15.175 4.808 1.00 0.00 C ATOM 0 H ALA A 87 -13.976 -16.007 1.884 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.089 -16.050 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.515 -14.515 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.765 -16.089 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.391 -14.673 4.233 1.00 0.00 H new ATOM 1348 N THR A 88 -16.058 -13.812 3.984 1.00 0.00 N ATOM 1349 CA THR A 88 -16.761 -12.607 3.557 1.00 0.00 C ATOM 1350 C THR A 88 -17.096 -11.716 4.750 1.00 0.00 C ATOM 1351 O THR A 88 -17.468 -12.206 5.817 1.00 0.00 O ATOM 1352 CB THR A 88 -18.045 -12.976 2.813 1.00 0.00 C ATOM 1353 OG1 THR A 88 -18.896 -11.849 2.698 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.834 -14.077 3.486 1.00 0.00 C ATOM 0 H THR A 88 -16.461 -14.269 4.802 1.00 0.00 H new ATOM 0 HA THR A 88 -16.102 -12.055 2.886 1.00 0.00 H new ATOM 0 HB THR A 88 -17.720 -13.331 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.712 -12.103 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.732 -14.288 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.222 -14.977 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 88 -19.117 -13.760 4.490 1.00 0.00 H new ATOM 1362 N LYS A 89 -16.973 -10.404 4.563 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.271 -9.447 5.621 1.00 0.00 C ATOM 1364 C LYS A 89 -17.941 -8.205 5.035 1.00 0.00 C ATOM 1365 O LYS A 89 -17.530 -7.704 3.990 1.00 0.00 O ATOM 1366 CB LYS A 89 -15.986 -9.057 6.362 1.00 0.00 C ATOM 1367 CG LYS A 89 -15.974 -9.472 7.825 1.00 0.00 C ATOM 1368 CD LYS A 89 -16.980 -8.674 8.636 1.00 0.00 C ATOM 1369 CE LYS A 89 -16.995 -9.112 10.090 1.00 0.00 C ATOM 1370 NZ LYS A 89 -18.262 -8.732 10.773 1.00 0.00 N ATOM 0 H LYS A 89 -16.668 -9.981 3.686 1.00 0.00 H new ATOM 0 HA LYS A 89 -17.955 -9.912 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.134 -9.512 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.854 -7.977 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.201 -10.535 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.975 -9.328 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.737 -7.613 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.975 -8.798 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.864 -10.193 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.152 -8.661 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.231 -9.049 11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.376 -7.699 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.065 -9.182 10.290 1.00 0.00 H new ATOM 1384 N VAL A 90 -18.980 -7.719 5.705 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.708 -6.543 5.236 1.00 0.00 C ATOM 1386 C VAL A 90 -19.677 -5.413 6.259 1.00 0.00 C ATOM 1387 O VAL A 90 -19.687 -5.657 7.466 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.174 -6.872 4.904 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.806 -5.725 4.133 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.261 -8.167 4.113 1.00 0.00 C ATOM 0 H VAL A 90 -19.337 -8.119 6.573 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.200 -6.218 4.328 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.724 -7.006 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.843 -5.969 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.771 -4.818 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.257 -5.564 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.305 -8.385 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.702 -8.064 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.839 -8.982 4.702 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.651 -4.175 5.772 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.623 -3.031 6.659 1.00 0.00 C ATOM 1402 C GLY A 91 -18.237 -2.727 7.182 1.00 0.00 C ATOM 1403 O GLY A 91 -17.354 -3.584 7.168 1.00 0.00 O ATOM 0 H GLY A 91 -19.649 -3.947 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.006 -2.158 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.292 -3.213 7.500 1.00 0.00 H new ATOM 1407 N ALA A 92 -18.048 -1.495 7.637 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.761 -1.060 8.156 1.00 0.00 C ATOM 1409 C ALA A 92 -16.419 -1.773 9.456 1.00 0.00 C ATOM 1410 O ALA A 92 -17.241 -1.856 10.368 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.770 0.445 8.375 1.00 0.00 C ATOM 0 H ALA A 92 -18.773 -0.778 7.656 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.998 -1.314 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.802 0.762 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.964 0.949 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.551 0.704 9.090 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.195 -2.282 9.538 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.740 -2.982 10.731 1.00 0.00 C ATOM 1419 C LEU A 93 -13.623 -2.198 11.413 1.00 0.00 C ATOM 1420 O LEU A 93 -13.310 -1.074 11.015 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.264 -4.399 10.382 1.00 0.00 C ATOM 1422 CG LEU A 93 -13.754 -4.592 8.950 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -12.884 -5.835 8.861 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -14.916 -4.680 7.970 1.00 0.00 C ATOM 0 H LEU A 93 -14.501 -2.223 8.793 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.580 -3.064 11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.467 -4.676 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.088 -5.092 10.552 1.00 0.00 H new ATOM 0 HG LEU A 93 -13.149 -3.726 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.529 -5.958 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.030 -5.730 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.467 -6.709 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -14.530 -4.817 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.551 -5.526 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.500 -3.760 8.014 1.00 0.00 H new ATOM 1436 N SER A 94 -13.027 -2.791 12.439 1.00 0.00 N ATOM 1437 CA SER A 94 -11.948 -2.141 13.172 1.00 0.00 C ATOM 1438 C SER A 94 -10.616 -2.831 12.904 1.00 0.00 C ATOM 1439 O SER A 94 -10.578 -3.948 12.387 1.00 0.00 O ATOM 1440 CB SER A 94 -12.248 -2.145 14.673 1.00 0.00 C ATOM 1441 OG SER A 94 -11.584 -1.078 15.327 1.00 0.00 O ATOM 0 H SER A 94 -13.272 -3.720 12.782 1.00 0.00 H new ATOM 0 HA SER A 94 -11.877 -1.110 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.323 -2.061 14.833 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.934 -3.094 15.108 1.00 0.00 H new ATOM 0 HG SER A 94 -11.792 -1.101 16.284 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.524 -2.158 13.257 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.189 -2.708 13.052 1.00 0.00 C ATOM 1449 C LYS A 95 -8.057 -4.069 13.722 1.00 0.00 C ATOM 1450 O LYS A 95 -7.402 -4.970 13.196 1.00 0.00 O ATOM 1451 CB LYS A 95 -7.125 -1.754 13.600 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.701 -2.221 13.338 1.00 0.00 C ATOM 1453 CD LYS A 95 -4.922 -1.203 12.520 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.582 -1.759 12.058 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.446 -0.899 12.494 1.00 0.00 N ATOM 0 H LYS A 95 -9.538 -1.233 13.686 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.036 -2.830 11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.265 -0.770 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.270 -1.639 14.674 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.193 -2.392 14.287 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.721 -3.175 12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.511 -0.905 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.758 -0.306 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.450 -2.765 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.578 -1.843 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.551 -1.311 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.559 0.054 12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.434 -0.840 13.532 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.665 -4.208 14.894 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.595 -5.459 15.613 1.00 0.00 C ATOM 1471 C GLY A 96 -9.516 -6.518 15.043 1.00 0.00 C ATOM 1472 O GLY A 96 -9.201 -7.705 15.090 1.00 0.00 O ATOM 0 H GLY A 96 -9.204 -3.476 15.356 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.569 -5.827 15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.851 -5.286 16.658 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.650 -6.098 14.490 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.591 -7.045 13.905 1.00 0.00 C ATOM 1478 C GLN A 97 -11.087 -7.531 12.549 1.00 0.00 C ATOM 1479 O GLN A 97 -11.327 -8.672 12.157 1.00 0.00 O ATOM 1480 CB GLN A 97 -12.974 -6.413 13.752 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.462 -5.689 14.998 1.00 0.00 C ATOM 1482 CD GLN A 97 -14.669 -4.812 14.730 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -15.081 -4.634 13.583 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -15.245 -4.259 15.791 1.00 0.00 N ATOM 0 H GLN A 97 -10.937 -5.121 14.435 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.672 -7.899 14.578 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.951 -5.709 12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.691 -7.191 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.714 -6.422 15.764 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.654 -5.076 15.397 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.870 -4.433 16.724 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.062 -3.660 15.673 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.373 -6.663 11.843 1.00 0.00 N ATOM 1494 CA LEU A 98 -9.820 -7.027 10.545 1.00 0.00 C ATOM 1495 C LEU A 98 -8.664 -7.999 10.740 1.00 0.00 C ATOM 1496 O LEU A 98 -8.611 -9.058 10.113 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.356 -5.791 9.769 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.591 -5.863 8.259 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -9.547 -4.477 7.634 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -8.564 -6.775 7.606 1.00 0.00 C ATOM 0 H LEU A 98 -10.165 -5.711 12.144 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.603 -7.507 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.873 -4.916 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.292 -5.642 9.951 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.584 -6.278 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.717 -4.557 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.322 -3.853 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.571 -4.027 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.744 -6.816 6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.563 -6.387 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.648 -7.777 8.026 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.743 -7.630 11.626 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.582 -8.460 11.923 1.00 0.00 C ATOM 1514 C LYS A 99 -7.008 -9.809 12.495 1.00 0.00 C ATOM 1515 O LYS A 99 -6.487 -10.853 12.101 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.658 -7.750 12.914 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.194 -8.134 12.767 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.391 -7.748 13.999 1.00 0.00 C ATOM 1519 CE LYS A 99 -3.582 -8.750 15.126 1.00 0.00 C ATOM 1520 NZ LYS A 99 -3.247 -8.164 16.453 1.00 0.00 N ATOM 0 H LYS A 99 -7.780 -6.757 12.152 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.045 -8.630 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.757 -6.673 12.782 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.984 -7.978 13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.113 -9.208 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.774 -7.643 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.334 -7.687 13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.695 -6.757 14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.616 -9.096 15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.955 -9.623 14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.390 -8.879 17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.253 -7.857 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.863 -7.346 16.637 1.00 0.00 H new ATOM 1534 N GLU A 100 -7.967 -9.783 13.417 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.460 -11.012 14.027 1.00 0.00 C ATOM 1536 C GLU A 100 -9.082 -11.916 12.966 1.00 0.00 C ATOM 1537 O GLU A 100 -8.878 -13.129 12.974 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.454 -10.703 15.160 1.00 0.00 C ATOM 1539 CG GLU A 100 -10.883 -10.442 14.711 1.00 0.00 C ATOM 1540 CD GLU A 100 -11.762 -11.673 14.819 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -11.960 -12.161 15.952 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -12.248 -12.151 13.773 1.00 0.00 O ATOM 0 H GLU A 100 -8.414 -8.931 13.755 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.618 -11.543 14.471 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.456 -11.540 15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.097 -9.831 15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.309 -9.641 15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.878 -10.093 13.678 1.00 0.00 H new ATOM 1549 N PHE A 101 -9.813 -11.312 12.033 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.440 -12.055 10.942 1.00 0.00 C ATOM 1551 C PHE A 101 -9.383 -12.716 10.061 1.00 0.00 C ATOM 1552 O PHE A 101 -9.520 -13.873 9.654 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.315 -11.117 10.103 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.161 -11.826 9.084 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -13.046 -12.822 9.470 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.068 -11.502 7.742 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -13.820 -13.479 8.534 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -12.841 -12.156 6.800 1.00 0.00 C ATOM 1559 CZ PHE A 101 -13.717 -13.146 7.197 1.00 0.00 C ATOM 0 H PHE A 101 -9.986 -10.307 12.010 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.066 -12.837 11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.965 -10.549 10.769 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.675 -10.398 9.593 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.131 -13.086 10.514 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.383 -10.729 7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.505 -14.253 8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.759 -11.893 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.321 -13.660 6.464 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.317 -11.974 9.780 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.237 -12.488 8.952 1.00 0.00 C ATOM 1571 C LEU A 102 -6.497 -13.603 9.680 1.00 0.00 C ATOM 1572 O LEU A 102 -6.398 -14.718 9.178 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.283 -11.359 8.556 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.454 -10.868 7.115 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.760 -9.533 6.904 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -5.926 -11.906 6.136 1.00 0.00 C ATOM 0 H LEU A 102 -8.180 -11.020 10.113 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.662 -12.904 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.431 -10.519 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.257 -11.701 8.692 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.519 -10.724 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.899 -9.210 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.188 -8.790 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.695 -9.640 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.054 -11.543 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.868 -12.082 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.477 -12.838 6.261 1.00 0.00 H new ATOM 1588 N ASP A 103 -5.996 -13.307 10.874 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.284 -14.306 11.665 1.00 0.00 C ATOM 1590 C ASP A 103 -6.101 -15.594 11.760 1.00 0.00 C ATOM 1591 O ASP A 103 -5.548 -16.694 11.779 1.00 0.00 O ATOM 1592 CB ASP A 103 -4.990 -13.769 13.069 1.00 0.00 C ATOM 1593 CG ASP A 103 -3.629 -14.198 13.582 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -3.498 -15.358 14.024 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -2.691 -13.373 13.538 1.00 0.00 O ATOM 0 H ASP A 103 -6.068 -12.390 11.314 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.339 -14.525 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.043 -12.680 13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.760 -14.118 13.757 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.423 -15.446 11.815 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.323 -16.591 11.904 1.00 0.00 C ATOM 1602 C ALA A 104 -8.442 -17.338 10.575 1.00 0.00 C ATOM 1603 O ALA A 104 -8.860 -18.496 10.548 1.00 0.00 O ATOM 1604 CB ALA A 104 -9.696 -16.150 12.385 1.00 0.00 C ATOM 0 H ALA A 104 -7.894 -14.542 11.799 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.893 -17.283 12.628 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.356 -17.016 12.446 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.607 -15.692 13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.112 -15.426 11.684 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.088 -16.678 9.471 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.179 -17.308 8.152 1.00 0.00 C ATOM 1612 C ASN A 105 -6.793 -17.656 7.617 1.00 0.00 C ATOM 1613 O ASN A 105 -6.612 -18.673 6.948 1.00 0.00 O ATOM 1614 CB ASN A 105 -8.899 -16.381 7.169 1.00 0.00 C ATOM 1615 CG ASN A 105 -9.826 -17.135 6.234 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.309 -18.218 6.562 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.082 -16.563 5.062 1.00 0.00 N ATOM 0 H ASN A 105 -7.740 -15.719 9.462 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.750 -18.230 8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.473 -15.641 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.161 -15.835 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.700 -17.023 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.660 -15.664 4.830 1.00 0.00 H new ATOM 1624 N LEU A 106 -5.818 -16.813 7.932 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.445 -17.034 7.499 1.00 0.00 C ATOM 1626 C LEU A 106 -3.852 -18.226 8.231 1.00 0.00 C ATOM 1627 O LEU A 106 -3.419 -18.115 9.378 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.601 -15.795 7.770 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.142 -15.884 7.322 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -2.058 -16.148 5.827 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -1.398 -14.608 7.687 1.00 0.00 C ATOM 0 H LEU A 106 -5.953 -15.968 8.487 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.447 -17.236 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.065 -14.944 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.623 -15.588 8.840 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.669 -16.718 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.012 -16.208 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.557 -17.089 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.545 -15.336 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.361 -14.686 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.870 -13.758 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.430 -14.465 8.767 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.849 -19.366 7.565 1.00 0.00 N ATOM 1644 CA VAL A 107 -3.327 -20.592 8.151 1.00 0.00 C ATOM 1645 C VAL A 107 -3.517 -21.771 7.201 1.00 0.00 C ATOM 1646 O VAL A 107 -4.388 -21.675 6.309 1.00 0.00 O ATOM 1647 CB VAL A 107 -4.027 -20.895 9.490 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -5.534 -20.910 9.302 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -3.543 -22.210 10.081 1.00 0.00 C ATOM 0 H VAL A 107 -4.203 -19.471 6.614 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.261 -20.448 8.329 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.771 -20.104 10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.017 -21.125 10.255 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.865 -19.937 8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.803 -21.679 8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.056 -22.395 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.758 -23.022 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.468 -22.157 10.256 1.00 0.00 H new TER 1659 VAL A 107