USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 157:sc= -0.872 (180deg=0.11) USER MOD Set 1.2: A 84 MET CE :methyl -147:sc= -7.14! (180deg=-3.8!) USER MOD Set 2.1: A 9 THR OG1 : rot -120:sc= -3.33! USER MOD Set 2.2: A 16 CYS SG : rot 25:sc= -8.73! USER MOD Set 3.1: A 4 ASN : amide:sc= -18.3! C(o=-44!,f=-39!) USER MOD Set 3.2: A 62 ASN : amide:sc= -26.1! C(o=-44!,f=-47!) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.957! (180deg=-3.98!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 136:sc= -0.895 USER MOD Single : A 12 THR OG1 : rot 96:sc= 0.126 USER MOD Single : A 13 CYS SG : rot 180:sc= -5.51! USER MOD Single : A 15 TYR OH : rot -45:sc= -1.96! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= -0.0443 (180deg=-0.716) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= -8.85! (180deg=-12.8!) USER MOD Single : A 51 TYR OH : rot -142:sc= -10.6! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 69:sc= -6.61! USER MOD Single : A 81 ASN : amide:sc= -6.73! C(o=-6.7!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.638 -2.785 10.070 1.00 0.00 N ATOM 2 CA MET A 1 -10.859 -2.369 8.868 1.00 0.00 C ATOM 3 C MET A 1 -11.181 -3.287 7.685 1.00 0.00 C ATOM 4 O MET A 1 -10.871 -4.461 7.696 1.00 0.00 O ATOM 5 CB MET A 1 -9.393 -2.513 9.276 1.00 0.00 C ATOM 6 CG MET A 1 -8.509 -1.762 8.279 1.00 0.00 C ATOM 7 SD MET A 1 -7.722 -0.358 9.108 1.00 0.00 S ATOM 8 CE MET A 1 -7.175 -1.246 10.587 1.00 0.00 C ATOM 0 H1 MET A 1 -11.411 -2.155 10.866 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.655 -2.727 9.862 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.391 -3.763 10.322 1.00 0.00 H new ATOM 0 HA MET A 1 -11.096 -1.352 8.554 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.244 -2.117 10.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.114 -3.566 9.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.750 -2.431 7.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.107 -1.412 7.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.255 -0.797 10.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.947 -1.185 11.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.993 -2.291 10.337 1.00 0.00 H new ATOM 20 N VAL A 2 -11.800 -2.759 6.665 1.00 0.00 N ATOM 21 CA VAL A 2 -12.140 -3.602 5.484 1.00 0.00 C ATOM 22 C VAL A 2 -10.987 -3.577 4.479 1.00 0.00 C ATOM 23 O VAL A 2 -10.047 -4.341 4.575 1.00 0.00 O ATOM 24 CB VAL A 2 -13.388 -2.957 4.880 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.217 -1.437 4.845 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.593 -3.484 3.459 1.00 0.00 C ATOM 0 H VAL A 2 -12.085 -1.782 6.598 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.312 -4.644 5.753 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.257 -3.206 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.108 -0.980 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.072 -1.064 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.349 -1.182 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.482 -3.026 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.724 -3.236 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.720 -4.566 3.487 1.00 0.00 H new ATOM 36 N VAL A 3 -11.085 -2.745 3.481 1.00 0.00 N ATOM 37 CA VAL A 3 -10.007 -2.646 2.463 1.00 0.00 C ATOM 38 C VAL A 3 -8.976 -1.605 2.894 1.00 0.00 C ATOM 39 O VAL A 3 -9.290 -0.423 2.956 1.00 0.00 O ATOM 40 CB VAL A 3 -10.740 -2.250 1.197 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.731 -1.877 0.110 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.604 -3.417 0.717 1.00 0.00 C ATOM 0 H VAL A 3 -11.878 -2.122 3.327 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.444 -3.569 2.324 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.377 -1.390 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.263 -1.593 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.122 -1.040 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.088 -2.732 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.130 -3.130 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.970 -4.280 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.329 -3.675 1.489 1.00 0.00 H new ATOM 52 N ASN A 4 -7.727 -1.988 3.035 1.00 0.00 N ATOM 53 CA ASN A 4 -6.727 -0.950 3.417 1.00 0.00 C ATOM 54 C ASN A 4 -5.436 -1.212 2.620 1.00 0.00 C ATOM 55 O ASN A 4 -4.755 -2.182 2.722 1.00 0.00 O ATOM 56 CB ASN A 4 -6.421 -1.259 4.915 1.00 0.00 C ATOM 57 CG ASN A 4 -6.317 0.067 5.670 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.436 0.103 6.878 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.099 1.168 5.002 1.00 0.00 N ATOM 0 H ASN A 4 -7.371 -2.935 2.907 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.075 0.067 3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.209 -1.878 5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.491 -1.820 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.029 2.058 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.999 1.138 3.987 1.00 0.00 H new ATOM 66 N ILE A 5 -5.170 -0.304 1.715 1.00 0.00 N ATOM 67 CA ILE A 5 -3.980 -0.368 0.830 1.00 0.00 C ATOM 68 C ILE A 5 -3.111 0.864 0.990 1.00 0.00 C ATOM 69 O ILE A 5 -3.661 1.968 0.892 1.00 0.00 O ATOM 70 CB ILE A 5 -4.491 -0.596 -0.561 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.054 -2.012 -0.702 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.354 -0.398 -1.565 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.427 -1.950 -1.372 1.00 0.00 C ATOM 0 H ILE A 5 -5.760 0.512 1.552 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.315 -1.190 1.094 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.288 0.120 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.376 -2.627 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.137 -2.481 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.728 -0.564 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.969 0.619 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.554 -1.107 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.829 -2.958 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.102 -1.350 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.330 -1.498 -2.359 1.00 0.00 H new ATOM 85 N GLU A 6 -1.815 0.763 1.119 1.00 0.00 N ATOM 86 CA GLU A 6 -1.082 2.058 1.198 1.00 0.00 C ATOM 87 C GLU A 6 0.039 1.947 0.152 1.00 0.00 C ATOM 88 O GLU A 6 1.145 1.524 0.362 1.00 0.00 O ATOM 89 CB GLU A 6 -0.427 1.963 2.628 1.00 0.00 C ATOM 90 CG GLU A 6 -0.164 3.381 3.134 1.00 0.00 C ATOM 91 CD GLU A 6 -0.042 3.368 4.659 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.678 2.529 5.276 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.683 4.196 5.182 1.00 0.00 O ATOM 0 H GLU A 6 -1.264 -0.094 1.170 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.671 2.962 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.088 1.432 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.504 1.398 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.751 3.773 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.975 4.043 2.830 1.00 0.00 H new ATOM 100 N VAL A 7 -0.146 2.773 -0.905 1.00 0.00 N ATOM 101 CA VAL A 7 0.883 2.692 -1.975 1.00 0.00 C ATOM 102 C VAL A 7 1.663 4.021 -1.839 1.00 0.00 C ATOM 103 O VAL A 7 1.229 5.108 -1.961 1.00 0.00 O ATOM 104 CB VAL A 7 0.079 2.820 -3.326 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.725 1.538 -3.530 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.878 4.017 -3.291 1.00 0.00 C ATOM 0 H VAL A 7 -0.909 3.436 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 7 1.508 1.800 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 7 0.783 2.973 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.289 1.606 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.046 0.687 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.415 1.405 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.418 4.079 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.589 3.891 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.309 4.934 -3.138 1.00 0.00 H new ATOM 116 N PHE A 8 2.934 3.822 -1.387 1.00 0.00 N ATOM 117 CA PHE A 8 3.788 5.032 -1.180 1.00 0.00 C ATOM 118 C PHE A 8 4.985 4.950 -2.128 1.00 0.00 C ATOM 119 O PHE A 8 6.036 4.438 -1.800 1.00 0.00 O ATOM 120 CB PHE A 8 4.230 4.864 0.296 1.00 0.00 C ATOM 121 CG PHE A 8 5.634 5.386 0.499 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.842 6.736 0.798 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.729 4.515 0.403 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.141 7.218 0.997 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.028 4.998 0.605 1.00 0.00 C ATOM 126 CZ PHE A 8 8.234 6.350 0.902 1.00 0.00 C ATOM 0 H PHE A 8 3.363 2.921 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 8 3.299 5.987 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.541 5.398 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.184 3.812 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.000 7.407 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.571 3.472 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.300 8.262 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.871 4.327 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.236 6.723 1.058 1.00 0.00 H new ATOM 136 N THR A 9 4.865 5.572 -3.271 1.00 0.00 N ATOM 137 CA THR A 9 5.986 5.550 -4.256 1.00 0.00 C ATOM 138 C THR A 9 6.405 6.973 -4.626 1.00 0.00 C ATOM 139 O THR A 9 7.412 7.470 -4.158 1.00 0.00 O ATOM 140 CB THR A 9 5.439 4.833 -5.491 1.00 0.00 C ATOM 141 OG1 THR A 9 4.353 3.998 -5.111 1.00 0.00 O ATOM 142 CG2 THR A 9 6.544 3.982 -6.119 1.00 0.00 C ATOM 0 H THR A 9 4.040 6.094 -3.565 1.00 0.00 H new ATOM 0 HA THR A 9 6.863 5.049 -3.847 1.00 0.00 H new ATOM 0 HB THR A 9 5.094 5.570 -6.216 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.561 3.068 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.154 3.471 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.376 4.623 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.891 3.244 -5.395 1.00 0.00 H new ATOM 150 N SER A 10 5.577 7.685 -5.344 1.00 0.00 N ATOM 151 CA SER A 10 5.952 9.072 -5.733 1.00 0.00 C ATOM 152 C SER A 10 4.793 9.764 -6.460 1.00 0.00 C ATOM 153 O SER A 10 3.961 9.140 -7.070 1.00 0.00 O ATOM 154 CB SER A 10 7.129 8.942 -6.717 1.00 0.00 C ATOM 155 OG SER A 10 6.670 9.174 -8.043 1.00 0.00 O ATOM 0 H SER A 10 4.666 7.368 -5.675 1.00 0.00 H new ATOM 0 HA SER A 10 6.204 9.658 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.911 9.658 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.570 7.948 -6.643 1.00 0.00 H new ATOM 0 HG SER A 10 7.304 9.756 -8.511 1.00 0.00 H new ATOM 161 N PRO A 11 4.720 11.062 -6.238 1.00 0.00 N ATOM 162 CA PRO A 11 3.636 11.877 -6.835 1.00 0.00 C ATOM 163 C PRO A 11 3.878 12.079 -8.335 1.00 0.00 C ATOM 164 O PRO A 11 2.952 12.229 -9.107 1.00 0.00 O ATOM 165 CB PRO A 11 3.737 13.204 -6.090 1.00 0.00 C ATOM 166 CG PRO A 11 5.158 13.288 -5.626 1.00 0.00 C ATOM 167 CD PRO A 11 5.672 11.878 -5.475 1.00 0.00 C ATOM 0 HA PRO A 11 2.654 11.413 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.486 14.041 -6.741 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.046 13.236 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.763 13.841 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.220 13.822 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.684 11.779 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.705 11.576 -4.428 1.00 0.00 H new ATOM 175 N THR A 12 5.114 12.081 -8.749 1.00 0.00 N ATOM 176 CA THR A 12 5.414 12.270 -10.197 1.00 0.00 C ATOM 177 C THR A 12 5.202 10.955 -10.948 1.00 0.00 C ATOM 178 O THR A 12 5.120 10.923 -12.159 1.00 0.00 O ATOM 179 CB THR A 12 6.885 12.688 -10.247 1.00 0.00 C ATOM 180 OG1 THR A 12 7.314 13.060 -8.945 1.00 0.00 O ATOM 181 CG2 THR A 12 7.049 13.874 -11.199 1.00 0.00 C ATOM 0 H THR A 12 5.930 11.960 -8.148 1.00 0.00 H new ATOM 0 HA THR A 12 4.767 13.013 -10.663 1.00 0.00 H new ATOM 0 HB THR A 12 7.488 11.853 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.752 12.296 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.097 14.171 -11.234 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.720 13.587 -12.198 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.447 14.711 -10.845 1.00 0.00 H new ATOM 189 N CYS A 13 5.109 9.869 -10.232 1.00 0.00 N ATOM 190 CA CYS A 13 4.896 8.552 -10.896 1.00 0.00 C ATOM 191 C CYS A 13 3.654 7.872 -10.315 1.00 0.00 C ATOM 192 O CYS A 13 2.999 8.414 -9.448 1.00 0.00 O ATOM 193 CB CYS A 13 6.152 7.739 -10.579 1.00 0.00 C ATOM 194 SG CYS A 13 6.837 7.064 -12.112 1.00 0.00 S ATOM 0 H CYS A 13 5.171 9.836 -9.214 1.00 0.00 H new ATOM 0 HA CYS A 13 4.737 8.648 -11.970 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.891 8.369 -10.085 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.910 6.930 -9.889 1.00 0.00 H new ATOM 0 HG CYS A 13 7.906 6.375 -11.843 1.00 0.00 H new ATOM 200 N PRO A 14 3.371 6.702 -10.818 1.00 0.00 N ATOM 201 CA PRO A 14 2.199 5.937 -10.347 1.00 0.00 C ATOM 202 C PRO A 14 2.547 5.152 -9.079 1.00 0.00 C ATOM 203 O PRO A 14 3.311 4.208 -9.114 1.00 0.00 O ATOM 204 CB PRO A 14 1.913 4.987 -11.504 1.00 0.00 C ATOM 205 CG PRO A 14 3.221 4.821 -12.222 1.00 0.00 C ATOM 206 CD PRO A 14 4.106 5.994 -11.867 1.00 0.00 C ATOM 0 HA PRO A 14 1.348 6.568 -10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.540 4.029 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.151 5.395 -12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.697 3.884 -11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.061 4.778 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.082 5.662 -11.513 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.281 6.635 -12.731 1.00 0.00 H new ATOM 214 N TYR A 15 1.990 5.531 -7.960 1.00 0.00 N ATOM 215 CA TYR A 15 2.290 4.798 -6.697 1.00 0.00 C ATOM 216 C TYR A 15 2.116 3.290 -6.923 1.00 0.00 C ATOM 217 O TYR A 15 2.877 2.670 -7.640 1.00 0.00 O ATOM 218 CB TYR A 15 1.260 5.313 -5.690 1.00 0.00 C ATOM 219 CG TYR A 15 1.138 6.812 -5.815 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.216 7.633 -5.465 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.053 7.381 -6.281 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.103 9.024 -5.581 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.167 8.772 -6.396 1.00 0.00 C ATOM 224 CZ TYR A 15 0.912 9.593 -6.046 1.00 0.00 C ATOM 225 OH TYR A 15 0.801 10.963 -6.160 1.00 0.00 O ATOM 0 H TYR A 15 1.343 6.314 -7.866 1.00 0.00 H new ATOM 0 HA TYR A 15 3.311 4.957 -6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.293 4.843 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.561 5.045 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.135 7.194 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.884 6.747 -6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.935 9.658 -5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.086 9.211 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 15 1.156 11.388 -5.352 1.00 0.00 H new ATOM 235 N CYS A 16 1.116 2.697 -6.324 1.00 0.00 N ATOM 236 CA CYS A 16 0.891 1.232 -6.514 1.00 0.00 C ATOM 237 C CYS A 16 -0.583 0.883 -6.273 1.00 0.00 C ATOM 238 O CYS A 16 -0.891 -0.134 -5.684 1.00 0.00 O ATOM 239 CB CYS A 16 1.778 0.558 -5.468 1.00 0.00 C ATOM 240 SG CYS A 16 3.490 0.528 -6.056 1.00 0.00 S ATOM 0 H CYS A 16 0.446 3.163 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 16 1.131 0.906 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.717 1.097 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.429 -0.457 -5.280 1.00 0.00 H new ATOM 0 HG CYS A 16 3.673 1.493 -6.908 1.00 0.00 H new ATOM 246 N PRO A 17 -1.448 1.748 -6.733 1.00 0.00 N ATOM 247 CA PRO A 17 -2.910 1.539 -6.561 1.00 0.00 C ATOM 248 C PRO A 17 -3.432 0.482 -7.542 1.00 0.00 C ATOM 249 O PRO A 17 -4.600 0.461 -7.874 1.00 0.00 O ATOM 250 CB PRO A 17 -3.504 2.901 -6.902 1.00 0.00 C ATOM 251 CG PRO A 17 -2.505 3.541 -7.811 1.00 0.00 C ATOM 252 CD PRO A 17 -1.150 2.995 -7.445 1.00 0.00 C ATOM 0 HA PRO A 17 -3.168 1.187 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.473 2.798 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.661 3.499 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.738 3.322 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.525 4.625 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.541 2.813 -8.330 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.596 3.691 -6.815 1.00 0.00 H new ATOM 260 N MET A 18 -2.582 -0.383 -8.019 1.00 0.00 N ATOM 261 CA MET A 18 -3.048 -1.418 -8.989 1.00 0.00 C ATOM 262 C MET A 18 -3.198 -2.776 -8.305 1.00 0.00 C ATOM 263 O MET A 18 -4.287 -3.297 -8.169 1.00 0.00 O ATOM 264 CB MET A 18 -1.952 -1.478 -10.053 1.00 0.00 C ATOM 265 CG MET A 18 -1.856 -2.900 -10.607 1.00 0.00 C ATOM 266 SD MET A 18 -3.497 -3.456 -11.133 1.00 0.00 S ATOM 267 CE MET A 18 -3.139 -3.576 -12.902 1.00 0.00 C ATOM 0 H MET A 18 -1.590 -0.420 -7.783 1.00 0.00 H new ATOM 0 HA MET A 18 -4.023 -1.172 -9.409 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.173 -0.777 -10.858 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.996 -1.179 -9.623 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.164 -2.928 -11.449 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.459 -3.572 -9.846 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.031 -3.910 -13.432 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.837 -2.599 -13.279 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.333 -4.292 -13.062 1.00 0.00 H new ATOM 277 N ALA A 19 -2.112 -3.356 -7.877 1.00 0.00 N ATOM 278 CA ALA A 19 -2.199 -4.684 -7.210 1.00 0.00 C ATOM 279 C ALA A 19 -3.162 -4.610 -6.030 1.00 0.00 C ATOM 280 O ALA A 19 -3.702 -5.604 -5.588 1.00 0.00 O ATOM 281 CB ALA A 19 -0.781 -4.966 -6.715 1.00 0.00 C ATOM 0 H ALA A 19 -1.172 -2.970 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.565 -5.463 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.757 -5.931 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.096 -4.984 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.476 -4.184 -6.019 1.00 0.00 H new ATOM 287 N ILE A 20 -3.395 -3.430 -5.531 1.00 0.00 N ATOM 288 CA ILE A 20 -4.333 -3.284 -4.386 1.00 0.00 C ATOM 289 C ILE A 20 -5.764 -3.484 -4.869 1.00 0.00 C ATOM 290 O ILE A 20 -6.572 -4.108 -4.212 1.00 0.00 O ATOM 291 CB ILE A 20 -4.132 -1.857 -3.878 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.068 -0.908 -4.630 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.682 -1.431 -4.111 1.00 0.00 C ATOM 294 CD1 ILE A 20 -6.504 -1.111 -4.143 1.00 0.00 C ATOM 0 H ILE A 20 -2.977 -2.562 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.149 -4.017 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.356 -1.819 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.761 0.125 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.007 -1.095 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.539 -0.413 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.014 -2.105 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.458 -1.471 -5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.169 -0.434 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.809 -2.141 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.559 -0.902 -3.075 1.00 0.00 H new ATOM 306 N GLU A 21 -6.080 -2.981 -6.028 1.00 0.00 N ATOM 307 CA GLU A 21 -7.451 -3.169 -6.562 1.00 0.00 C ATOM 308 C GLU A 21 -7.811 -4.646 -6.441 1.00 0.00 C ATOM 309 O GLU A 21 -8.952 -5.011 -6.236 1.00 0.00 O ATOM 310 CB GLU A 21 -7.383 -2.730 -8.021 1.00 0.00 C ATOM 311 CG GLU A 21 -8.721 -3.014 -8.704 1.00 0.00 C ATOM 312 CD GLU A 21 -9.258 -1.727 -9.332 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.465 -0.991 -9.897 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.452 -1.497 -9.237 1.00 0.00 O ATOM 0 H GLU A 21 -5.448 -2.449 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.209 -2.596 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.151 -1.667 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.581 -3.261 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.595 -3.779 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.436 -3.403 -7.979 1.00 0.00 H new ATOM 321 N VAL A 22 -6.832 -5.501 -6.570 1.00 0.00 N ATOM 322 CA VAL A 22 -7.098 -6.960 -6.444 1.00 0.00 C ATOM 323 C VAL A 22 -7.463 -7.283 -4.996 1.00 0.00 C ATOM 324 O VAL A 22 -8.403 -7.997 -4.721 1.00 0.00 O ATOM 325 CB VAL A 22 -5.793 -7.643 -6.852 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.791 -9.086 -6.344 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.670 -7.641 -8.377 1.00 0.00 C ATOM 0 H VAL A 22 -5.861 -5.251 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.927 -7.296 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.951 -7.103 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.860 -9.573 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.878 -9.089 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.633 -9.625 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.739 -8.128 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.512 -8.180 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.671 -6.613 -8.741 1.00 0.00 H new ATOM 337 N VAL A 23 -6.706 -6.791 -4.070 1.00 0.00 N ATOM 338 CA VAL A 23 -6.991 -6.989 -2.621 1.00 0.00 C ATOM 339 C VAL A 23 -8.308 -6.314 -2.265 1.00 0.00 C ATOM 340 O VAL A 23 -8.995 -6.678 -1.337 1.00 0.00 O ATOM 341 CB VAL A 23 -5.810 -6.471 -1.860 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.272 -5.343 -0.939 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.193 -7.594 -1.021 1.00 0.00 C ATOM 0 H VAL A 23 -5.869 -6.239 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.122 -8.039 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.061 -6.100 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.420 -4.958 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.707 -4.541 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.020 -5.724 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.335 -7.208 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.935 -7.972 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.870 -8.403 -1.677 1.00 0.00 H new ATOM 353 N ASP A 24 -8.579 -5.209 -2.909 1.00 0.00 N ATOM 354 CA ASP A 24 -9.825 -4.453 -2.630 1.00 0.00 C ATOM 355 C ASP A 24 -11.006 -5.227 -3.186 1.00 0.00 C ATOM 356 O ASP A 24 -12.081 -5.273 -2.629 1.00 0.00 O ATOM 357 CB ASP A 24 -9.650 -3.110 -3.308 1.00 0.00 C ATOM 358 CG ASP A 24 -10.476 -2.053 -2.574 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.203 -2.424 -1.669 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.368 -0.891 -2.931 1.00 0.00 O ATOM 0 H ASP A 24 -7.980 -4.797 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.013 -4.312 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.597 -2.827 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.965 -3.173 -4.350 1.00 0.00 H new ATOM 365 N GLU A 25 -10.800 -5.808 -4.333 1.00 0.00 N ATOM 366 CA GLU A 25 -11.869 -6.599 -4.981 1.00 0.00 C ATOM 367 C GLU A 25 -12.328 -7.709 -4.037 1.00 0.00 C ATOM 368 O GLU A 25 -13.502 -7.968 -3.878 1.00 0.00 O ATOM 369 CB GLU A 25 -11.207 -7.173 -6.229 1.00 0.00 C ATOM 370 CG GLU A 25 -11.896 -6.623 -7.479 1.00 0.00 C ATOM 371 CD GLU A 25 -13.346 -7.107 -7.517 1.00 0.00 C ATOM 372 OE1 GLU A 25 -13.552 -8.307 -7.430 1.00 0.00 O ATOM 373 OE2 GLU A 25 -14.226 -6.272 -7.635 1.00 0.00 O ATOM 0 H GLU A 25 -9.923 -5.765 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.754 -6.012 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.148 -6.914 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.269 -8.261 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.865 -5.533 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.368 -6.953 -8.373 1.00 0.00 H new ATOM 380 N ALA A 26 -11.392 -8.390 -3.434 1.00 0.00 N ATOM 381 CA ALA A 26 -11.749 -9.483 -2.485 1.00 0.00 C ATOM 382 C ALA A 26 -12.170 -8.913 -1.137 1.00 0.00 C ATOM 383 O ALA A 26 -13.112 -9.362 -0.520 1.00 0.00 O ATOM 384 CB ALA A 26 -10.480 -10.310 -2.343 1.00 0.00 C ATOM 0 H ALA A 26 -10.391 -8.236 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.589 -10.077 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.660 -11.138 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.190 -10.702 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.679 -9.683 -1.952 1.00 0.00 H new ATOM 390 N LYS A 27 -11.472 -7.891 -0.683 1.00 0.00 N ATOM 391 CA LYS A 27 -11.846 -7.336 0.645 1.00 0.00 C ATOM 392 C LYS A 27 -13.190 -6.626 0.523 1.00 0.00 C ATOM 393 O LYS A 27 -13.928 -6.521 1.487 1.00 0.00 O ATOM 394 CB LYS A 27 -10.739 -6.289 0.930 1.00 0.00 C ATOM 395 CG LYS A 27 -9.524 -7.009 1.518 1.00 0.00 C ATOM 396 CD LYS A 27 -9.992 -8.173 2.396 1.00 0.00 C ATOM 397 CE LYS A 27 -10.217 -9.417 1.530 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.849 -9.923 1.222 1.00 0.00 N ATOM 0 H LYS A 27 -10.692 -7.439 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.929 -8.094 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.463 -5.771 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.104 -5.533 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.885 -7.379 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.926 -6.313 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.248 -8.383 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.915 -7.905 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.805 -10.166 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.762 -9.171 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.898 -10.935 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.459 -9.398 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.235 -9.789 2.050 1.00 0.00 H new ATOM 412 N LYS A 28 -13.580 -6.279 -0.668 1.00 0.00 N ATOM 413 CA LYS A 28 -14.913 -5.658 -0.860 1.00 0.00 C ATOM 414 C LYS A 28 -15.959 -6.742 -0.633 1.00 0.00 C ATOM 415 O LYS A 28 -16.932 -6.561 0.073 1.00 0.00 O ATOM 416 CB LYS A 28 -14.927 -5.208 -2.317 1.00 0.00 C ATOM 417 CG LYS A 28 -15.116 -3.691 -2.386 1.00 0.00 C ATOM 418 CD LYS A 28 -16.456 -3.373 -3.051 1.00 0.00 C ATOM 419 CE LYS A 28 -16.248 -2.324 -4.145 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.070 -1.157 -3.720 1.00 0.00 N ATOM 0 H LYS A 28 -13.030 -6.400 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.115 -4.826 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.994 -5.490 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.732 -5.709 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.085 -3.264 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.301 -3.238 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.886 -4.279 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.164 -3.004 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.196 -2.053 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.567 -2.699 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.979 -0.394 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.067 -1.443 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.738 -0.817 -2.795 1.00 0.00 H new ATOM 434 N GLU A 29 -15.717 -7.892 -1.200 1.00 0.00 N ATOM 435 CA GLU A 29 -16.661 -9.024 -1.031 1.00 0.00 C ATOM 436 C GLU A 29 -16.938 -9.236 0.455 1.00 0.00 C ATOM 437 O GLU A 29 -18.071 -9.422 0.865 1.00 0.00 O ATOM 438 CB GLU A 29 -15.867 -10.224 -1.583 1.00 0.00 C ATOM 439 CG GLU A 29 -15.592 -11.250 -0.477 1.00 0.00 C ATOM 440 CD GLU A 29 -16.752 -12.243 -0.400 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.282 -12.586 -1.444 1.00 0.00 O ATOM 442 OE2 GLU A 29 -17.091 -12.643 0.701 1.00 0.00 O ATOM 0 H GLU A 29 -14.900 -8.094 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.620 -8.871 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.426 -10.695 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.924 -9.878 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.660 -11.778 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.469 -10.744 0.480 1.00 0.00 H new ATOM 449 N PHE A 30 -15.962 -9.030 1.272 1.00 0.00 N ATOM 450 CA PHE A 30 -16.135 -9.217 2.741 1.00 0.00 C ATOM 451 C PHE A 30 -16.528 -7.820 3.253 1.00 0.00 C ATOM 452 O PHE A 30 -17.505 -7.691 3.999 1.00 0.00 O ATOM 453 CB PHE A 30 -14.785 -9.679 3.277 1.00 0.00 C ATOM 454 CG PHE A 30 -14.237 -8.658 4.245 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.846 -8.479 5.493 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.122 -7.888 3.895 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.339 -7.531 6.391 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.614 -6.941 4.792 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.223 -6.763 6.041 1.00 0.00 C ATOM 0 H PHE A 30 -15.028 -8.734 0.988 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.884 -9.949 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.893 -10.643 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.087 -9.822 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.707 -9.072 5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.653 -8.025 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.809 -7.393 7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.753 -6.348 4.521 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.831 -6.033 6.734 1.00 0.00 H new ATOM 469 N GLY A 31 -15.662 -6.882 3.179 1.00 0.00 N ATOM 470 CA GLY A 31 -15.918 -5.470 3.575 1.00 0.00 C ATOM 471 C GLY A 31 -16.637 -4.618 2.553 1.00 0.00 C ATOM 472 O GLY A 31 -15.914 -3.801 1.927 1.00 0.00 O ATOM 0 H GLY A 31 -14.714 -7.036 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.503 -5.471 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.963 -4.998 3.805 1.00 0.00 H new ATOM 476 N ASP A 32 -17.863 -4.751 2.285 1.00 0.00 N ATOM 477 CA ASP A 32 -18.481 -3.908 1.226 1.00 0.00 C ATOM 478 C ASP A 32 -17.869 -2.501 1.245 1.00 0.00 C ATOM 479 O ASP A 32 -17.954 -1.769 0.279 1.00 0.00 O ATOM 480 CB ASP A 32 -19.970 -3.845 1.644 1.00 0.00 C ATOM 481 CG ASP A 32 -20.504 -2.426 1.450 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.691 -2.035 0.309 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.716 -1.751 2.444 1.00 0.00 O ATOM 0 H ASP A 32 -18.494 -5.408 2.744 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.332 -4.303 0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.554 -4.547 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.077 -4.144 2.687 1.00 0.00 H new ATOM 488 N LYS A 33 -17.339 -2.076 2.334 1.00 0.00 N ATOM 489 CA LYS A 33 -16.624 -0.777 2.477 1.00 0.00 C ATOM 490 C LYS A 33 -15.219 -0.798 1.909 1.00 0.00 C ATOM 491 O LYS A 33 -14.578 -1.849 1.966 1.00 0.00 O ATOM 492 CB LYS A 33 -16.720 -0.367 3.899 1.00 0.00 C ATOM 493 CG LYS A 33 -18.101 0.214 4.219 1.00 0.00 C ATOM 494 CD LYS A 33 -18.238 0.398 5.732 1.00 0.00 C ATOM 495 CE LYS A 33 -18.154 -0.966 6.422 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.414 -1.664 6.047 1.00 0.00 N ATOM 0 H LYS A 33 -17.370 -2.611 3.202 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.103 -0.013 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.527 -1.226 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.952 0.374 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.232 1.170 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.882 -0.451 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.450 1.054 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.188 0.878 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.279 -1.524 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.070 -0.857 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.680 -2.329 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.173 -0.965 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.271 -2.186 5.159 1.00 0.00 H new ATOM 510 N ILE A 34 -14.679 0.296 1.472 1.00 0.00 N ATOM 511 CA ILE A 34 -13.264 0.250 1.005 1.00 0.00 C ATOM 512 C ILE A 34 -12.448 1.383 1.645 1.00 0.00 C ATOM 513 O ILE A 34 -12.943 2.436 1.972 1.00 0.00 O ATOM 514 CB ILE A 34 -13.383 0.500 -0.512 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.634 -0.607 -1.254 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.771 1.856 -0.871 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.606 -1.736 -1.601 1.00 0.00 C ATOM 0 H ILE A 34 -15.139 1.205 1.416 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.766 -0.686 1.260 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.435 0.500 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.182 -0.209 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.822 -0.989 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.860 2.023 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.298 2.646 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.718 1.866 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.073 -2.526 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.037 -2.140 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.403 -1.348 -2.236 1.00 0.00 H new ATOM 529 N ASP A 35 -11.168 1.148 1.809 1.00 0.00 N ATOM 530 CA ASP A 35 -10.288 2.169 2.433 1.00 0.00 C ATOM 531 C ASP A 35 -8.879 1.985 1.871 1.00 0.00 C ATOM 532 O ASP A 35 -7.955 1.634 2.583 1.00 0.00 O ATOM 533 CB ASP A 35 -10.317 1.878 3.935 1.00 0.00 C ATOM 534 CG ASP A 35 -10.973 3.047 4.672 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.183 3.170 4.589 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.252 3.799 5.307 1.00 0.00 O ATOM 0 H ASP A 35 -10.698 0.285 1.534 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.607 3.192 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.869 0.958 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.303 1.724 4.305 1.00 0.00 H new ATOM 541 N VAL A 36 -8.680 2.346 0.618 1.00 0.00 N ATOM 542 CA VAL A 36 -7.321 2.122 0.055 1.00 0.00 C ATOM 543 C VAL A 36 -6.592 3.471 0.182 1.00 0.00 C ATOM 544 O VAL A 36 -6.892 4.465 -0.417 1.00 0.00 O ATOM 545 CB VAL A 36 -7.593 1.837 -1.460 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.261 1.646 -2.186 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.421 0.555 -1.572 1.00 0.00 C ATOM 0 H VAL A 36 -9.369 2.766 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.745 1.328 0.531 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.132 2.672 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.447 1.447 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.660 2.550 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.725 0.804 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.620 0.341 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.868 -0.275 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.365 0.684 -1.043 1.00 0.00 H new ATOM 557 N GLU A 37 -5.412 3.394 0.849 1.00 0.00 N ATOM 558 CA GLU A 37 -4.723 4.710 1.041 1.00 0.00 C ATOM 559 C GLU A 37 -3.490 4.642 0.101 1.00 0.00 C ATOM 560 O GLU A 37 -2.792 3.707 -0.069 1.00 0.00 O ATOM 561 CB GLU A 37 -4.121 4.582 2.505 1.00 0.00 C ATOM 562 CG GLU A 37 -5.252 4.825 3.503 1.00 0.00 C ATOM 563 CD GLU A 37 -5.145 6.245 4.061 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.196 6.926 3.713 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.015 6.626 4.828 1.00 0.00 O ATOM 0 H GLU A 37 -4.959 2.559 1.222 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.348 5.588 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.687 3.593 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.320 5.307 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.217 4.686 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.197 4.099 4.314 1.00 0.00 H new ATOM 572 N LYS A 38 -3.327 5.725 -0.623 1.00 0.00 N ATOM 573 CA LYS A 38 -2.314 5.834 -1.691 1.00 0.00 C ATOM 574 C LYS A 38 -1.583 7.173 -1.717 1.00 0.00 C ATOM 575 O LYS A 38 -2.285 8.191 -1.805 1.00 0.00 O ATOM 576 CB LYS A 38 -2.940 5.523 -3.002 1.00 0.00 C ATOM 577 CG LYS A 38 -4.090 6.509 -3.206 1.00 0.00 C ATOM 578 CD LYS A 38 -5.385 5.904 -2.661 1.00 0.00 C ATOM 579 CE LYS A 38 -6.245 5.407 -3.825 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.647 5.720 -3.427 1.00 0.00 N ATOM 0 H LYS A 38 -3.887 6.569 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.538 5.100 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.210 5.613 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.307 4.497 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.872 7.448 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.202 6.739 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.158 5.080 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.932 6.649 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.977 5.907 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.110 4.338 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.298 5.409 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.875 5.225 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.747 6.745 -3.286 1.00 0.00 H new ATOM 594 N ILE A 39 -0.324 7.266 -1.459 1.00 0.00 N ATOM 595 CA ILE A 39 0.342 8.595 -1.510 1.00 0.00 C ATOM 596 C ILE A 39 1.663 8.539 -2.272 1.00 0.00 C ATOM 597 O ILE A 39 1.891 7.684 -3.108 1.00 0.00 O ATOM 598 CB ILE A 39 0.651 8.904 -0.057 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.651 7.604 0.752 1.00 0.00 C ATOM 600 CG2 ILE A 39 -0.407 9.857 0.503 1.00 0.00 C ATOM 601 CD1 ILE A 39 -0.784 7.102 0.914 1.00 0.00 C ATOM 0 H ILE A 39 0.282 6.483 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.288 9.331 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 39 1.632 9.375 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.256 6.850 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.101 7.772 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.183 10.077 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.403 10.783 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.390 9.391 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.783 6.177 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.376 7.854 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.218 6.917 -0.069 1.00 0.00 H new ATOM 613 N ASP A 40 2.451 9.551 -2.120 1.00 0.00 N ATOM 614 CA ASP A 40 3.785 9.650 -2.755 1.00 0.00 C ATOM 615 C ASP A 40 4.940 9.411 -1.800 1.00 0.00 C ATOM 616 O ASP A 40 4.762 9.463 -0.595 1.00 0.00 O ATOM 617 CB ASP A 40 3.778 10.986 -3.421 1.00 0.00 C ATOM 618 CG ASP A 40 2.517 11.757 -3.011 1.00 0.00 C ATOM 619 OD1 ASP A 40 2.132 11.661 -1.858 1.00 0.00 O ATOM 620 OD2 ASP A 40 1.961 12.433 -3.861 1.00 0.00 O ATOM 0 H ASP A 40 2.211 10.361 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 40 3.956 8.855 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.668 11.549 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.806 10.864 -4.504 1.00 0.00 H new ATOM 625 N ILE A 41 6.133 9.325 -2.304 1.00 0.00 N ATOM 626 CA ILE A 41 7.317 9.167 -1.410 1.00 0.00 C ATOM 627 C ILE A 41 7.551 10.443 -0.592 1.00 0.00 C ATOM 628 O ILE A 41 7.675 10.393 0.622 1.00 0.00 O ATOM 629 CB ILE A 41 8.494 8.931 -2.359 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.796 9.306 -1.647 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.328 9.800 -3.609 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.951 9.295 -2.650 1.00 0.00 C ATOM 0 H ILE A 41 6.345 9.357 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 41 7.184 8.353 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 41 8.523 7.881 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.703 10.293 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.996 8.602 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.167 9.631 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.398 9.538 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.301 10.851 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.877 9.562 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.048 8.299 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.751 10.016 -3.443 1.00 0.00 H new ATOM 644 N MET A 42 7.686 11.572 -1.249 1.00 0.00 N ATOM 645 CA MET A 42 7.950 12.822 -0.476 1.00 0.00 C ATOM 646 C MET A 42 6.777 13.177 0.437 1.00 0.00 C ATOM 647 O MET A 42 6.844 14.105 1.216 1.00 0.00 O ATOM 648 CB MET A 42 8.066 13.904 -1.571 1.00 0.00 C ATOM 649 CG MET A 42 6.671 14.257 -2.104 1.00 0.00 C ATOM 650 SD MET A 42 6.807 15.594 -3.318 1.00 0.00 S ATOM 651 CE MET A 42 6.046 16.891 -2.311 1.00 0.00 C ATOM 0 H MET A 42 7.626 11.679 -2.262 1.00 0.00 H new ATOM 0 HA MET A 42 8.829 12.725 0.161 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.546 14.795 -1.166 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.696 13.545 -2.385 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.213 13.381 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.023 14.562 -1.282 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.025 17.824 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.028 16.600 -2.052 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.626 17.031 -1.399 1.00 0.00 H new ATOM 661 N VAL A 43 5.738 12.385 0.419 1.00 0.00 N ATOM 662 CA VAL A 43 4.584 12.668 1.319 1.00 0.00 C ATOM 663 C VAL A 43 4.459 11.574 2.375 1.00 0.00 C ATOM 664 O VAL A 43 4.341 11.848 3.554 1.00 0.00 O ATOM 665 CB VAL A 43 3.359 12.683 0.403 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.790 13.053 -1.017 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.712 11.296 0.400 1.00 0.00 C ATOM 0 H VAL A 43 5.639 11.561 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 43 4.698 13.610 1.855 1.00 0.00 H new ATOM 0 HB VAL A 43 2.640 13.418 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.918 13.064 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.252 14.040 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.508 12.319 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.839 11.303 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.430 10.560 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.406 11.035 1.413 1.00 0.00 H new ATOM 677 N ASP A 44 4.485 10.334 1.969 1.00 0.00 N ATOM 678 CA ASP A 44 4.367 9.228 2.961 1.00 0.00 C ATOM 679 C ASP A 44 5.728 8.557 3.147 1.00 0.00 C ATOM 680 O ASP A 44 5.838 7.343 3.147 1.00 0.00 O ATOM 681 CB ASP A 44 3.363 8.250 2.354 1.00 0.00 C ATOM 682 CG ASP A 44 3.460 6.904 3.073 1.00 0.00 C ATOM 683 OD1 ASP A 44 2.782 6.740 4.075 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.211 6.060 2.613 1.00 0.00 O ATOM 0 H ASP A 44 4.582 10.040 0.997 1.00 0.00 H new ATOM 0 HA ASP A 44 4.042 9.579 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.352 8.649 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.563 8.121 1.290 1.00 0.00 H new ATOM 689 N ARG A 45 6.766 9.355 3.407 1.00 0.00 N ATOM 690 CA ARG A 45 8.083 8.664 3.510 1.00 0.00 C ATOM 691 C ARG A 45 8.110 7.844 4.813 1.00 0.00 C ATOM 692 O ARG A 45 8.986 7.010 4.990 1.00 0.00 O ATOM 693 CB ARG A 45 9.033 9.910 3.826 1.00 0.00 C ATOM 694 CG ARG A 45 10.488 9.435 3.842 1.00 0.00 C ATOM 695 CD ARG A 45 11.340 10.365 2.975 1.00 0.00 C ATOM 696 NE ARG A 45 12.749 10.012 3.304 1.00 0.00 N ATOM 697 CZ ARG A 45 13.360 10.612 4.288 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.091 11.860 4.559 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.241 9.965 5.001 1.00 0.00 N ATOM 0 H ARG A 45 6.752 10.366 3.540 1.00 0.00 H new ATOM 0 HA ARG A 45 8.322 8.038 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.899 10.687 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.770 10.350 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.867 9.425 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.552 8.413 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.133 10.217 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.133 11.412 3.197 1.00 0.00 H new ATOM 0 HE ARG A 45 13.237 9.301 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.403 12.366 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.569 12.329 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.452 8.990 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.719 10.434 5.770 1.00 0.00 H new ATOM 713 N GLU A 46 7.045 7.839 5.547 1.00 0.00 N ATOM 714 CA GLU A 46 6.907 6.958 6.741 1.00 0.00 C ATOM 715 C GLU A 46 7.214 5.519 6.338 1.00 0.00 C ATOM 716 O GLU A 46 7.480 4.672 7.164 1.00 0.00 O ATOM 717 CB GLU A 46 5.514 7.149 7.268 1.00 0.00 C ATOM 718 CG GLU A 46 5.275 8.627 7.584 1.00 0.00 C ATOM 719 CD GLU A 46 5.250 8.827 9.100 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.311 8.784 9.701 1.00 0.00 O ATOM 721 OE2 GLU A 46 4.170 9.021 9.635 1.00 0.00 O ATOM 0 H GLU A 46 6.232 8.428 5.367 1.00 0.00 H new ATOM 0 HA GLU A 46 7.611 7.208 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.787 6.803 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.370 6.548 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.061 9.237 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.332 8.955 7.148 1.00 0.00 H new ATOM 728 N LYS A 47 7.059 5.205 5.081 1.00 0.00 N ATOM 729 CA LYS A 47 7.305 3.805 4.642 1.00 0.00 C ATOM 730 C LYS A 47 8.645 3.343 5.189 1.00 0.00 C ATOM 731 O LYS A 47 8.756 2.319 5.836 1.00 0.00 O ATOM 732 CB LYS A 47 7.369 3.845 3.113 1.00 0.00 C ATOM 733 CG LYS A 47 8.582 3.023 2.651 1.00 0.00 C ATOM 734 CD LYS A 47 8.422 1.579 3.123 1.00 0.00 C ATOM 735 CE LYS A 47 9.778 0.876 3.092 1.00 0.00 C ATOM 736 NZ LYS A 47 9.698 -0.154 4.166 1.00 0.00 N ATOM 0 H LYS A 47 6.775 5.852 4.345 1.00 0.00 H new ATOM 0 HA LYS A 47 6.528 3.126 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.452 3.439 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.455 4.874 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.666 3.056 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.500 3.450 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.014 1.559 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.714 1.053 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.965 0.420 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.592 1.578 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.139 -1.036 3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.198 0.187 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.701 -0.333 4.402 1.00 0.00 H new ATOM 750 N ALA A 48 9.669 3.954 4.795 1.00 0.00 N ATOM 751 CA ALA A 48 11.045 3.750 5.253 1.00 0.00 C ATOM 752 C ALA A 48 11.142 3.803 6.758 1.00 0.00 C ATOM 753 O ALA A 48 12.242 3.792 7.289 1.00 0.00 O ATOM 754 CB ALA A 48 11.961 4.452 4.402 1.00 0.00 C ATOM 0 H ALA A 48 9.609 4.682 4.083 1.00 0.00 H new ATOM 0 HA ALA A 48 11.408 2.732 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.980 4.292 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.867 4.081 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.733 5.518 4.423 1.00 0.00 H new ATOM 760 N ILE A 49 10.116 4.284 7.415 1.00 0.00 N ATOM 761 CA ILE A 49 10.271 4.483 8.864 1.00 0.00 C ATOM 762 C ILE A 49 11.246 3.405 9.302 1.00 0.00 C ATOM 763 O ILE A 49 12.206 3.652 10.002 1.00 0.00 O ATOM 764 CB ILE A 49 8.881 4.246 9.478 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.189 3.068 8.775 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.035 5.508 9.306 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.679 3.149 9.012 1.00 0.00 C ATOM 0 H ILE A 49 9.212 4.536 7.017 1.00 0.00 H new ATOM 0 HA ILE A 49 10.633 5.469 9.157 1.00 0.00 H new ATOM 0 HB ILE A 49 8.990 4.013 10.537 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.402 3.092 7.706 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.578 2.124 9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.048 5.346 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.521 6.343 9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.932 5.735 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.187 2.314 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.476 3.104 10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.297 4.087 8.609 1.00 0.00 H new ATOM 779 N GLU A 50 11.041 2.226 8.793 1.00 0.00 N ATOM 780 CA GLU A 50 11.968 1.107 9.078 1.00 0.00 C ATOM 781 C GLU A 50 13.408 1.573 8.840 1.00 0.00 C ATOM 782 O GLU A 50 14.263 1.427 9.691 1.00 0.00 O ATOM 783 CB GLU A 50 11.564 0.030 8.072 1.00 0.00 C ATOM 784 CG GLU A 50 10.769 -1.061 8.788 1.00 0.00 C ATOM 785 CD GLU A 50 11.280 -2.436 8.355 1.00 0.00 C ATOM 786 OE1 GLU A 50 10.874 -2.892 7.298 1.00 0.00 O ATOM 787 OE2 GLU A 50 12.067 -3.011 9.088 1.00 0.00 O ATOM 0 H GLU A 50 10.258 1.989 8.183 1.00 0.00 H new ATOM 0 HA GLU A 50 11.918 0.745 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.964 0.468 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.451 -0.398 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.868 -0.948 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.709 -0.966 8.554 1.00 0.00 H new ATOM 794 N TYR A 51 13.686 2.149 7.694 1.00 0.00 N ATOM 795 CA TYR A 51 15.078 2.634 7.432 1.00 0.00 C ATOM 796 C TYR A 51 15.062 4.109 7.032 1.00 0.00 C ATOM 797 O TYR A 51 15.969 4.861 7.324 1.00 0.00 O ATOM 798 CB TYR A 51 15.607 1.789 6.274 1.00 0.00 C ATOM 799 CG TYR A 51 14.617 1.767 5.132 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.359 1.184 5.298 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.973 2.319 3.897 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.455 1.152 4.232 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.068 2.291 2.833 1.00 0.00 C ATOM 804 CZ TYR A 51 12.808 1.707 2.999 1.00 0.00 C ATOM 805 OH TYR A 51 11.917 1.676 1.946 1.00 0.00 O ATOM 0 H TYR A 51 13.019 2.303 6.938 1.00 0.00 H new ATOM 0 HA TYR A 51 15.703 2.541 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.559 2.192 5.929 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.797 0.772 6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.084 0.757 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.947 2.767 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.484 0.698 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.342 2.721 1.881 1.00 0.00 H new ATOM 0 HH TYR A 51 12.403 1.509 1.111 1.00 0.00 H new ATOM 815 N GLY A 52 14.027 4.511 6.369 1.00 0.00 N ATOM 816 CA GLY A 52 13.889 5.923 5.920 1.00 0.00 C ATOM 817 C GLY A 52 15.022 6.318 4.971 1.00 0.00 C ATOM 818 O GLY A 52 14.825 7.106 4.067 1.00 0.00 O ATOM 0 H GLY A 52 13.247 3.908 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.930 6.056 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.890 6.584 6.787 1.00 0.00 H new ATOM 822 N LEU A 53 16.200 5.795 5.149 1.00 0.00 N ATOM 823 CA LEU A 53 17.307 6.171 4.235 1.00 0.00 C ATOM 824 C LEU A 53 16.849 6.036 2.781 1.00 0.00 C ATOM 825 O LEU A 53 16.466 6.999 2.147 1.00 0.00 O ATOM 826 CB LEU A 53 18.441 5.191 4.542 1.00 0.00 C ATOM 827 CG LEU A 53 17.856 3.838 4.949 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.368 2.754 3.998 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.286 3.506 6.379 1.00 0.00 C ATOM 0 H LEU A 53 16.442 5.129 5.882 1.00 0.00 H new ATOM 0 HA LEU A 53 17.627 7.204 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.080 5.073 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.067 5.583 5.343 1.00 0.00 H new ATOM 0 HG LEU A 53 16.768 3.882 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.951 1.789 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.062 2.990 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.456 2.709 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.869 2.542 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.374 3.462 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.922 4.278 7.057 1.00 0.00 H new ATOM 841 N MET A 54 16.874 4.844 2.256 1.00 0.00 N ATOM 842 CA MET A 54 16.426 4.631 0.854 1.00 0.00 C ATOM 843 C MET A 54 14.903 4.572 0.854 1.00 0.00 C ATOM 844 O MET A 54 14.304 3.658 0.307 1.00 0.00 O ATOM 845 CB MET A 54 16.999 3.274 0.467 1.00 0.00 C ATOM 846 CG MET A 54 18.526 3.342 0.470 1.00 0.00 C ATOM 847 SD MET A 54 19.205 1.694 0.154 1.00 0.00 S ATOM 848 CE MET A 54 20.706 2.227 -0.705 1.00 0.00 C ATOM 0 H MET A 54 17.188 4.003 2.741 1.00 0.00 H new ATOM 0 HA MET A 54 16.747 5.415 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.658 2.511 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.640 2.985 -0.521 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.871 4.041 -0.292 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.882 3.716 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.288 1.353 -0.997 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.434 2.795 -1.595 1.00 0.00 H new ATOM 0 HE3 MET A 54 21.301 2.855 -0.042 1.00 0.00 H new ATOM 858 N ALA A 55 14.259 5.631 1.317 1.00 0.00 N ATOM 859 CA ALA A 55 12.773 5.515 1.378 1.00 0.00 C ATOM 860 C ALA A 55 12.199 6.396 0.241 1.00 0.00 C ATOM 861 O ALA A 55 12.113 7.572 0.231 1.00 0.00 O ATOM 862 CB ALA A 55 12.440 6.279 2.716 1.00 0.00 C ATOM 0 H ALA A 55 14.671 6.509 1.633 1.00 0.00 H new ATOM 0 HA ALA A 55 12.399 4.493 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.363 6.268 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.941 5.788 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.785 7.310 2.642 1.00 0.00 H new ATOM 868 N VAL A 56 11.731 5.659 -0.786 1.00 0.00 N ATOM 869 CA VAL A 56 11.129 6.343 -1.962 1.00 0.00 C ATOM 870 C VAL A 56 10.005 5.525 -2.617 1.00 0.00 C ATOM 871 O VAL A 56 8.836 5.780 -2.328 1.00 0.00 O ATOM 872 CB VAL A 56 12.276 6.553 -2.954 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.708 6.734 -4.365 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.060 7.806 -2.562 1.00 0.00 C ATOM 0 H VAL A 56 11.752 4.640 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 56 10.666 7.280 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 56 12.935 5.685 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.526 6.883 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.144 5.845 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.050 7.603 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.878 7.959 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.397 8.671 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.465 7.683 -1.557 1.00 0.00 H new ATOM 884 N PRO A 57 10.352 4.344 -3.180 1.00 0.00 N ATOM 885 CA PRO A 57 9.212 3.617 -3.802 1.00 0.00 C ATOM 886 C PRO A 57 8.984 2.400 -2.858 1.00 0.00 C ATOM 887 O PRO A 57 9.703 1.535 -2.585 1.00 0.00 O ATOM 888 CB PRO A 57 9.988 2.924 -5.034 1.00 0.00 C ATOM 889 CG PRO A 57 11.457 2.945 -4.708 1.00 0.00 C ATOM 890 CD PRO A 57 11.686 3.958 -3.609 1.00 0.00 C ATOM 0 HA PRO A 57 8.318 4.204 -4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.641 1.901 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.793 3.462 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.789 1.957 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.038 3.206 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.258 3.528 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.249 4.817 -3.973 1.00 0.00 H new ATOM 898 N ALA A 58 7.749 2.463 -2.282 1.00 0.00 N ATOM 899 CA ALA A 58 7.368 1.437 -1.271 1.00 0.00 C ATOM 900 C ALA A 58 5.857 1.364 -1.086 1.00 0.00 C ATOM 901 O ALA A 58 5.103 2.115 -1.675 1.00 0.00 O ATOM 902 CB ALA A 58 8.067 1.797 0.016 1.00 0.00 C ATOM 0 H ALA A 58 7.040 3.168 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 58 7.675 0.446 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.813 1.067 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.145 1.796 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.749 2.789 0.338 1.00 0.00 H new ATOM 908 N ILE A 59 5.421 0.451 -0.249 1.00 0.00 N ATOM 909 CA ILE A 59 3.959 0.357 0.015 1.00 0.00 C ATOM 910 C ILE A 59 3.793 0.049 1.503 1.00 0.00 C ATOM 911 O ILE A 59 4.355 -0.878 2.043 1.00 0.00 O ATOM 912 CB ILE A 59 3.534 -0.864 -0.848 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.951 -0.352 -2.167 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.476 -1.681 -0.104 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.882 -0.731 -3.319 1.00 0.00 C ATOM 0 H ILE A 59 6.005 -0.219 0.251 1.00 0.00 H new ATOM 0 HA ILE A 59 3.379 1.250 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 59 4.399 -1.498 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.962 -0.780 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.828 0.730 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.181 -2.536 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.887 -2.034 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.604 -1.056 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.466 -0.366 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.862 -0.282 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.983 -1.815 -3.364 1.00 0.00 H new ATOM 927 N ALA A 60 2.762 0.679 2.118 1.00 0.00 N ATOM 928 CA ALA A 60 2.701 0.383 3.581 1.00 0.00 C ATOM 929 C ALA A 60 1.767 -0.828 3.583 1.00 0.00 C ATOM 930 O ALA A 60 0.789 -0.964 2.902 1.00 0.00 O ATOM 931 CB ALA A 60 1.880 1.634 4.144 1.00 0.00 C ATOM 0 H ALA A 60 2.061 1.300 1.713 1.00 0.00 H new ATOM 0 HA ALA A 60 3.634 0.220 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.764 1.537 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.419 2.554 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.897 1.665 3.675 1.00 0.00 H new ATOM 937 N ILE A 61 2.048 -1.704 4.654 1.00 0.00 N ATOM 938 CA ILE A 61 1.205 -2.945 4.445 1.00 0.00 C ATOM 939 C ILE A 61 0.097 -2.609 5.476 1.00 0.00 C ATOM 940 O ILE A 61 -0.095 -3.052 6.552 1.00 0.00 O ATOM 941 CB ILE A 61 2.196 -3.935 5.335 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.661 -3.595 5.031 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.902 -5.368 4.898 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.521 -4.851 5.181 1.00 0.00 C ATOM 0 H ILE A 61 2.674 -1.615 5.455 1.00 0.00 H new ATOM 0 HA ILE A 61 0.881 -3.269 3.456 1.00 0.00 H new ATOM 0 HB ILE A 61 2.023 -3.809 6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.751 -3.199 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.013 -2.818 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.534 -6.056 5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.854 -5.599 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.108 -5.473 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.561 -4.608 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.441 -5.227 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.175 -5.614 4.484 1.00 0.00 H new ATOM 956 N ASN A 62 -0.980 -2.134 4.755 1.00 0.00 N ATOM 957 CA ASN A 62 -2.227 -1.764 5.470 1.00 0.00 C ATOM 958 C ASN A 62 -2.634 -2.968 6.298 1.00 0.00 C ATOM 959 O ASN A 62 -3.420 -3.793 5.877 1.00 0.00 O ATOM 960 CB ASN A 62 -3.236 -1.491 4.363 1.00 0.00 C ATOM 961 CG ASN A 62 -3.815 -0.085 4.528 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.198 0.545 3.562 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.892 0.439 5.721 1.00 0.00 N ATOM 0 H ASN A 62 -1.000 -2.009 3.743 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.136 -0.902 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.756 -1.585 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.036 -2.230 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.274 1.377 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.571 -0.090 6.532 1.00 0.00 H new ATOM 970 N GLY A 63 -2.071 -3.074 7.464 1.00 0.00 N ATOM 971 CA GLY A 63 -2.353 -4.223 8.358 1.00 0.00 C ATOM 972 C GLY A 63 -1.234 -4.272 9.396 1.00 0.00 C ATOM 973 O GLY A 63 -1.466 -4.449 10.575 1.00 0.00 O ATOM 0 H GLY A 63 -1.411 -2.395 7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.322 -4.105 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.392 -5.152 7.790 1.00 0.00 H new ATOM 977 N VAL A 64 -0.010 -4.105 8.956 1.00 0.00 N ATOM 978 CA VAL A 64 1.134 -4.130 9.902 1.00 0.00 C ATOM 979 C VAL A 64 2.001 -2.859 9.768 1.00 0.00 C ATOM 980 O VAL A 64 2.164 -2.129 10.725 1.00 0.00 O ATOM 981 CB VAL A 64 1.913 -5.386 9.525 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.965 -6.582 9.570 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.469 -5.253 8.110 1.00 0.00 C ATOM 0 H VAL A 64 0.240 -3.953 7.979 1.00 0.00 H new ATOM 0 HA VAL A 64 0.811 -4.148 10.943 1.00 0.00 H new ATOM 0 HB VAL A 64 2.738 -5.523 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.509 -7.488 9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.559 -6.687 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.149 -6.427 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.023 -6.155 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.647 -5.118 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.134 -4.391 8.060 1.00 0.00 H new ATOM 993 N VAL A 65 2.561 -2.573 8.610 1.00 0.00 N ATOM 994 CA VAL A 65 3.407 -1.337 8.497 1.00 0.00 C ATOM 995 C VAL A 65 3.647 -0.908 7.042 1.00 0.00 C ATOM 996 O VAL A 65 2.753 -0.445 6.363 1.00 0.00 O ATOM 997 CB VAL A 65 4.735 -1.707 9.159 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.700 -0.525 9.059 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.496 -2.044 10.632 1.00 0.00 C ATOM 0 H VAL A 65 2.472 -3.127 7.758 1.00 0.00 H new ATOM 0 HA VAL A 65 2.910 -0.490 8.970 1.00 0.00 H new ATOM 0 HB VAL A 65 5.164 -2.572 8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.647 -0.788 9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.872 -0.283 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.270 0.339 9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.443 -2.308 11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.067 -1.179 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.807 -2.886 10.706 1.00 0.00 H new ATOM 1009 N ARG A 66 4.846 -1.124 6.550 1.00 0.00 N ATOM 1010 CA ARG A 66 5.186 -0.714 5.153 1.00 0.00 C ATOM 1011 C ARG A 66 6.523 -1.352 4.745 1.00 0.00 C ATOM 1012 O ARG A 66 7.250 -1.872 5.563 1.00 0.00 O ATOM 1013 CB ARG A 66 5.348 0.819 5.213 1.00 0.00 C ATOM 1014 CG ARG A 66 5.336 1.399 3.798 1.00 0.00 C ATOM 1015 CD ARG A 66 4.629 2.758 3.807 1.00 0.00 C ATOM 1016 NE ARG A 66 3.902 2.823 2.509 1.00 0.00 N ATOM 1017 CZ ARG A 66 2.943 3.692 2.341 1.00 0.00 C ATOM 1018 NH1 ARG A 66 2.673 4.556 3.282 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.254 3.698 1.233 1.00 0.00 N ATOM 0 H ARG A 66 5.607 -1.570 7.062 1.00 0.00 H new ATOM 0 HA ARG A 66 4.427 -1.023 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.541 1.256 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.282 1.076 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.356 1.511 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.826 0.716 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.942 2.840 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.345 3.575 3.900 1.00 0.00 H new ATOM 0 HE ARG A 66 4.154 2.188 1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.212 4.552 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.924 5.235 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.465 3.023 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.505 4.377 1.102 1.00 0.00 H new ATOM 1033 N PHE A 67 6.820 -1.380 3.465 1.00 0.00 N ATOM 1034 CA PHE A 67 8.084 -2.039 3.015 1.00 0.00 C ATOM 1035 C PHE A 67 8.688 -1.316 1.806 1.00 0.00 C ATOM 1036 O PHE A 67 8.157 -0.334 1.325 1.00 0.00 O ATOM 1037 CB PHE A 67 7.664 -3.444 2.594 1.00 0.00 C ATOM 1038 CG PHE A 67 7.478 -3.502 1.094 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.929 -2.413 0.404 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.851 -4.654 0.395 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.755 -2.479 -0.982 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.677 -4.716 -0.991 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.129 -3.630 -1.679 1.00 0.00 C ATOM 0 H PHE A 67 6.247 -0.979 2.722 1.00 0.00 H new ATOM 0 HA PHE A 67 8.835 -2.030 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.420 -4.166 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.736 -3.720 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.640 -1.523 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.273 -5.495 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.331 -1.640 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.967 -5.605 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.995 -3.681 -2.749 1.00 0.00 H new ATOM 1053 N VAL A 68 9.852 -1.722 1.383 1.00 0.00 N ATOM 1054 CA VAL A 68 10.503 -1.119 0.186 1.00 0.00 C ATOM 1055 C VAL A 68 9.989 -1.745 -1.099 1.00 0.00 C ATOM 1056 O VAL A 68 10.244 -2.930 -1.325 1.00 0.00 O ATOM 1057 CB VAL A 68 11.985 -1.301 0.377 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.722 -0.682 -0.809 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.437 -0.621 1.673 1.00 0.00 C ATOM 0 H VAL A 68 10.392 -2.464 1.827 1.00 0.00 H new ATOM 0 HA VAL A 68 10.267 -0.059 0.091 1.00 0.00 H new ATOM 0 HB VAL A 68 12.212 -2.365 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.796 -0.810 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.408 -1.174 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.488 0.381 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.511 -0.759 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.212 0.444 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.911 -1.064 2.519 1.00 0.00 H new ATOM 1069 N GLY A 69 9.330 -1.032 -1.934 1.00 0.00 N ATOM 1070 CA GLY A 69 8.830 -1.634 -3.200 1.00 0.00 C ATOM 1071 C GLY A 69 8.438 -0.540 -4.195 1.00 0.00 C ATOM 1072 O GLY A 69 7.599 0.290 -3.914 1.00 0.00 O ATOM 0 H GLY A 69 9.106 -0.045 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.600 -2.271 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.970 -2.270 -2.992 1.00 0.00 H new ATOM 1076 N ALA A 70 9.006 -0.543 -5.367 1.00 0.00 N ATOM 1077 CA ALA A 70 8.620 0.485 -6.369 1.00 0.00 C ATOM 1078 C ALA A 70 7.521 -0.079 -7.270 1.00 0.00 C ATOM 1079 O ALA A 70 6.356 0.197 -7.061 1.00 0.00 O ATOM 1080 CB ALA A 70 9.893 0.781 -7.162 1.00 0.00 C ATOM 0 H ALA A 70 9.716 -1.208 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 70 8.228 1.394 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.682 1.534 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.664 1.153 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.242 -0.132 -7.644 1.00 0.00 H new ATOM 1086 N PRO A 71 7.917 -0.927 -8.191 1.00 0.00 N ATOM 1087 CA PRO A 71 6.914 -1.531 -9.086 1.00 0.00 C ATOM 1088 C PRO A 71 6.290 -2.730 -8.370 1.00 0.00 C ATOM 1089 O PRO A 71 5.670 -3.588 -8.972 1.00 0.00 O ATOM 1090 CB PRO A 71 7.767 -2.061 -10.252 1.00 0.00 C ATOM 1091 CG PRO A 71 9.137 -2.262 -9.681 1.00 0.00 C ATOM 1092 CD PRO A 71 9.289 -1.307 -8.524 1.00 0.00 C ATOM 0 HA PRO A 71 6.124 -0.844 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.363 -2.995 -10.642 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.786 -1.352 -11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.267 -3.292 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.899 -2.073 -10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.787 -1.781 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.887 -0.439 -8.800 1.00 0.00 H new ATOM 1100 N SER A 72 6.326 -2.705 -7.014 1.00 0.00 N ATOM 1101 CA SER A 72 5.688 -3.906 -6.366 1.00 0.00 C ATOM 1102 C SER A 72 4.386 -3.411 -5.709 1.00 0.00 C ATOM 1103 O SER A 72 4.216 -3.203 -4.550 1.00 0.00 O ATOM 1104 CB SER A 72 6.702 -4.152 -5.163 1.00 0.00 C ATOM 1105 OG SER A 72 7.238 -2.919 -4.680 1.00 0.00 O ATOM 0 H SER A 72 6.724 -1.986 -6.409 1.00 0.00 H new ATOM 0 HA SER A 72 5.499 -4.753 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.190 -4.672 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.514 -4.800 -5.494 1.00 0.00 H new ATOM 0 HG SER A 72 6.531 -2.407 -4.234 1.00 0.00 H new ATOM 1111 N ARG A 73 3.347 -3.438 -6.537 1.00 0.00 N ATOM 1112 CA ARG A 73 1.975 -3.089 -6.082 1.00 0.00 C ATOM 1113 C ARG A 73 1.370 -4.281 -5.358 1.00 0.00 C ATOM 1114 O ARG A 73 0.630 -4.159 -4.413 1.00 0.00 O ATOM 1115 CB ARG A 73 1.201 -2.668 -7.305 1.00 0.00 C ATOM 1116 CG ARG A 73 1.873 -1.462 -7.966 1.00 0.00 C ATOM 1117 CD ARG A 73 1.113 -1.089 -9.240 1.00 0.00 C ATOM 1118 NE ARG A 73 2.164 -0.650 -10.199 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.065 -0.962 -11.462 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.576 -2.080 -11.901 1.00 0.00 N ATOM 1121 NH2 ARG A 73 1.457 -0.154 -12.288 1.00 0.00 N ATOM 0 H ARG A 73 3.411 -3.694 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 73 1.963 -2.265 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.146 -3.496 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.177 -2.417 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.886 -0.617 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.911 -1.696 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.553 -1.939 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.393 -0.293 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 73 2.961 -0.106 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.053 -2.710 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.498 -2.323 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.060 0.721 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.379 -0.398 -13.275 1.00 0.00 H new ATOM 1135 N GLU A 74 1.606 -5.454 -5.881 1.00 0.00 N ATOM 1136 CA GLU A 74 1.062 -6.696 -5.258 1.00 0.00 C ATOM 1137 C GLU A 74 1.307 -6.670 -3.752 1.00 0.00 C ATOM 1138 O GLU A 74 0.612 -7.302 -2.982 1.00 0.00 O ATOM 1139 CB GLU A 74 1.752 -7.854 -5.935 1.00 0.00 C ATOM 1140 CG GLU A 74 0.729 -8.932 -6.294 1.00 0.00 C ATOM 1141 CD GLU A 74 1.419 -10.298 -6.335 1.00 0.00 C ATOM 1142 OE1 GLU A 74 2.464 -10.392 -6.956 1.00 0.00 O ATOM 1143 OE2 GLU A 74 0.889 -11.225 -5.745 1.00 0.00 O ATOM 0 H GLU A 74 2.160 -5.607 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.016 -6.786 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.261 -7.509 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.515 -8.269 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.077 -8.942 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.277 -8.712 -7.261 1.00 0.00 H new ATOM 1150 N GLU A 75 2.345 -5.995 -3.331 1.00 0.00 N ATOM 1151 CA GLU A 75 2.654 -5.960 -1.879 1.00 0.00 C ATOM 1152 C GLU A 75 1.413 -5.510 -1.108 1.00 0.00 C ATOM 1153 O GLU A 75 1.038 -6.112 -0.119 1.00 0.00 O ATOM 1154 CB GLU A 75 3.770 -4.920 -1.745 1.00 0.00 C ATOM 1155 CG GLU A 75 5.052 -5.621 -1.299 1.00 0.00 C ATOM 1156 CD GLU A 75 5.365 -5.238 0.149 1.00 0.00 C ATOM 1157 OE1 GLU A 75 5.041 -4.125 0.529 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.922 -6.064 0.853 1.00 0.00 O ATOM 0 H GLU A 75 2.985 -5.472 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 75 2.952 -6.931 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.929 -4.414 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.487 -4.156 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.937 -6.702 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.880 -5.337 -1.949 1.00 0.00 H new ATOM 1165 N LEU A 76 0.764 -4.477 -1.563 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.469 -4.020 -0.867 1.00 0.00 C ATOM 1167 C LEU A 76 -1.495 -5.147 -0.876 1.00 0.00 C ATOM 1168 O LEU A 76 -2.158 -5.412 0.107 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.976 -2.828 -1.678 1.00 0.00 C ATOM 1170 CG LEU A 76 0.197 -1.928 -2.060 1.00 0.00 C ATOM 1171 CD1 LEU A 76 0.375 -1.935 -3.579 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.084 -0.500 -1.587 1.00 0.00 C ATOM 0 H LEU A 76 1.032 -3.932 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.287 -3.744 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.486 -3.177 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.705 -2.264 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 76 1.107 -2.297 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.213 -1.292 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.574 -2.952 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.534 -1.566 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.752 0.144 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.994 -0.132 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.210 -0.494 -0.504 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.628 -5.818 -1.990 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.601 -6.939 -2.062 1.00 0.00 C ATOM 1186 C PHE A 77 -2.277 -7.977 -0.986 1.00 0.00 C ATOM 1187 O PHE A 77 -3.147 -8.612 -0.430 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.430 -7.529 -3.465 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.263 -9.027 -3.364 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.096 -9.565 -2.807 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.273 -9.877 -3.828 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -0.940 -10.953 -2.714 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.117 -11.266 -3.735 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.950 -11.803 -3.178 1.00 0.00 C ATOM 0 H PHE A 77 -1.106 -5.637 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.627 -6.614 -1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.297 -7.290 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.561 -7.088 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.316 -8.909 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.173 -9.462 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.040 -11.368 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.896 -11.922 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.829 -12.874 -3.106 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.029 -8.169 -0.706 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.591 -9.134 0.342 1.00 0.00 C ATOM 1206 C GLU A 78 -0.762 -8.519 1.731 1.00 0.00 C ATOM 1207 O GLU A 78 -0.913 -9.202 2.721 1.00 0.00 O ATOM 1208 CB GLU A 78 0.832 -9.504 0.022 1.00 0.00 C ATOM 1209 CG GLU A 78 1.273 -10.673 0.904 1.00 0.00 C ATOM 1210 CD GLU A 78 2.570 -11.266 0.352 1.00 0.00 C ATOM 1211 OE1 GLU A 78 3.444 -10.495 -0.010 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.669 -12.481 0.301 1.00 0.00 O ATOM 0 H GLU A 78 -0.263 -7.683 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.199 -10.039 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.919 -9.777 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.486 -8.647 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.423 -10.333 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.495 -11.436 0.932 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.617 -7.218 1.821 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.724 -6.558 3.151 1.00 0.00 C ATOM 1221 C ALA A 79 -2.183 -6.534 3.607 1.00 0.00 C ATOM 1222 O ALA A 79 -2.478 -6.727 4.769 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.210 -5.133 2.926 1.00 0.00 C ATOM 0 H ALA A 79 -0.431 -6.594 1.036 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.156 -7.080 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.256 -4.577 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.822 -5.169 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.829 -4.637 2.179 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.096 -6.316 2.711 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.535 -6.318 3.088 1.00 0.00 C ATOM 1231 C ILE A 80 -4.904 -7.699 3.624 1.00 0.00 C ATOM 1232 O ILE A 80 -5.644 -7.842 4.572 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.303 -5.965 1.828 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.283 -4.448 1.622 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.750 -6.441 1.963 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.898 -4.017 1.134 1.00 0.00 C ATOM 0 H ILE A 80 -2.909 -6.135 1.725 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.770 -5.599 3.873 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.837 -6.453 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.042 -4.159 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.526 -3.940 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.302 -6.188 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.766 -7.521 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.215 -5.954 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.884 -2.937 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.149 -4.292 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.674 -4.514 0.190 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.433 -8.727 2.982 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.716 -10.123 3.430 1.00 0.00 C ATOM 1250 C ASN A 81 -3.931 -10.421 4.698 1.00 0.00 C ATOM 1251 O ASN A 81 -4.407 -11.069 5.616 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.323 -11.032 2.300 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.030 -11.759 2.673 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -3.064 -12.817 3.268 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -1.882 -11.231 2.347 1.00 0.00 N ATOM 0 H ASN A 81 -3.851 -8.661 2.147 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.770 -10.269 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.117 -11.753 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.181 -10.456 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.014 -11.707 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.853 -10.342 1.847 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.721 -9.825 4.800 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.006 -10.224 6.040 1.00 0.00 C ATOM 1264 C ASP A 82 -2.347 -9.139 7.082 1.00 0.00 C ATOM 1265 O ASP A 82 -2.284 -9.423 8.284 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.497 -9.772 5.632 1.00 0.00 C ATOM 1267 CG ASP A 82 0.232 -9.182 6.847 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.150 -9.785 7.904 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.856 -8.143 6.701 1.00 0.00 O ATOM 0 H ASP A 82 -2.272 -9.171 4.158 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.190 -11.245 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.056 -10.630 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.536 -9.035 4.830 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.149 -8.179 6.685 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.709 -7.202 7.649 1.00 0.00 C ATOM 1276 C GLU A 83 -4.975 -7.805 8.242 1.00 0.00 C ATOM 1277 O GLU A 83 -5.084 -7.988 9.444 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.054 -5.979 6.788 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.860 -4.965 7.610 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.918 -5.405 9.075 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.877 -5.745 9.613 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.002 -5.394 9.634 1.00 0.00 O ATOM 0 H GLU A 83 -3.438 -8.036 5.717 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.035 -6.945 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.139 -5.515 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.628 -6.290 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.402 -3.979 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.869 -4.879 7.208 1.00 0.00 H new ATOM 1289 N MET A 84 -5.933 -8.103 7.414 1.00 0.00 N ATOM 1290 CA MET A 84 -7.198 -8.704 7.926 1.00 0.00 C ATOM 1291 C MET A 84 -6.954 -10.125 8.439 1.00 0.00 C ATOM 1292 O MET A 84 -7.776 -10.696 9.126 1.00 0.00 O ATOM 1293 CB MET A 84 -8.132 -8.737 6.708 1.00 0.00 C ATOM 1294 CG MET A 84 -8.081 -10.120 6.052 1.00 0.00 C ATOM 1295 SD MET A 84 -7.980 -9.932 4.254 1.00 0.00 S ATOM 1296 CE MET A 84 -9.364 -11.019 3.826 1.00 0.00 C ATOM 0 H MET A 84 -5.898 -7.958 6.405 1.00 0.00 H new ATOM 0 HA MET A 84 -7.613 -8.136 8.759 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.152 -8.507 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.835 -7.973 5.990 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.219 -10.677 6.419 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.968 -10.694 6.319 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.157 -11.515 2.878 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.493 -11.768 4.607 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.276 -10.429 3.735 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.815 -10.686 8.138 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.516 -12.067 8.615 1.00 0.00 C ATOM 1308 C GLU A 85 -4.102 -12.126 9.201 1.00 0.00 C ATOM 1309 O GLU A 85 -3.159 -12.008 8.435 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.619 -12.952 7.373 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.237 -14.299 7.754 1.00 0.00 C ATOM 1312 CD GLU A 85 -5.129 -15.338 7.932 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -4.067 -15.146 7.363 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -5.361 -16.308 8.633 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.987 -12.287 10.404 1.00 0.00 O ATOM 0 H GLU A 85 -5.079 -10.249 7.583 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.201 -12.390 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.229 -12.462 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.631 -13.103 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.809 -14.200 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.933 -14.623 6.980 1.00 0.00 H new TER 1322 GLU A 85