USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 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 141:sc= -0.0997 (180deg=-0.784) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.152) USER MOD Single : A 9 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0494 (180deg=-0.48) USER MOD Single : A 23 THR OG1 : rot 45:sc= 1.17 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 42 SER OG : rot -140:sc= -0.155 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 178:sc= -1.34 (180deg=-1.58!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -164:sc=-0.00703 (180deg=-0.303) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 132:sc= -0.0778 (180deg=-0.767) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.797 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.7!) USER MOD Single : A 89 GLN : amide:sc= -4.52 K(o=-4.5,f=-2.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.7) USER MOD Single : A 96 TYR OH : rot 5:sc= -2.43! USER MOD Single : A 101 GLN : amide:sc= -1.96 K(o=-2,f=-1.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 136:sc= 0.685 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -4.02 X(o=-4,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.782 1.399 16.906 1.00 0.00 N ATOM 2 CA MET A 1 2.560 0.402 17.698 1.00 0.00 C ATOM 3 C MET A 1 2.355 -0.993 17.102 1.00 0.00 C ATOM 4 O MET A 1 3.301 -1.782 17.011 1.00 0.00 O ATOM 5 CB MET A 1 2.080 0.421 19.153 1.00 0.00 C ATOM 6 CG MET A 1 3.022 -0.423 20.018 1.00 0.00 C ATOM 7 SD MET A 1 2.439 -0.415 21.731 1.00 0.00 S ATOM 8 CE MET A 1 1.011 -1.498 21.487 1.00 0.00 C ATOM 0 H1 MET A 1 2.062 2.360 17.187 1.00 0.00 H new ATOM 0 H2 MET A 1 1.975 1.264 15.893 1.00 0.00 H new ATOM 0 H3 MET A 1 0.766 1.268 17.085 1.00 0.00 H new ATOM 0 HA MET A 1 3.620 0.654 17.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.051 1.446 19.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.064 0.030 19.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.061 -1.445 19.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.035 -0.025 19.966 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.912 -2.168 22.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.108 -0.894 21.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.151 -2.085 20.580 1.00 0.00 H new ATOM 20 N ASP A 2 1.109 -1.290 16.710 1.00 0.00 N ATOM 21 CA ASP A 2 0.767 -2.591 16.135 1.00 0.00 C ATOM 22 C ASP A 2 1.547 -2.842 14.850 1.00 0.00 C ATOM 23 O ASP A 2 2.000 -3.963 14.602 1.00 0.00 O ATOM 24 CB ASP A 2 -0.735 -2.665 15.851 1.00 0.00 C ATOM 25 CG ASP A 2 -1.512 -2.750 17.160 1.00 0.00 C ATOM 26 OD1 ASP A 2 -1.881 -1.709 17.677 1.00 0.00 O ATOM 27 OD2 ASP A 2 -1.731 -3.858 17.625 1.00 0.00 O ATOM 0 H ASP A 2 0.323 -0.644 16.782 1.00 0.00 H new ATOM 0 HA ASP A 2 1.035 -3.361 16.859 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.050 -1.786 15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.954 -3.535 15.232 1.00 0.00 H new ATOM 32 N PHE A 3 1.698 -1.791 14.031 1.00 0.00 N ATOM 33 CA PHE A 3 2.425 -1.903 12.760 1.00 0.00 C ATOM 34 C PHE A 3 3.419 -0.765 12.603 1.00 0.00 C ATOM 35 O PHE A 3 3.204 0.326 13.129 1.00 0.00 O ATOM 36 CB PHE A 3 1.448 -1.914 11.580 1.00 0.00 C ATOM 37 CG PHE A 3 0.540 -3.122 11.680 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.727 -3.002 12.263 1.00 0.00 C ATOM 39 CD2 PHE A 3 0.970 -4.362 11.189 1.00 0.00 C ATOM 40 CE1 PHE A 3 -1.564 -4.119 12.354 1.00 0.00 C ATOM 41 CE2 PHE A 3 0.133 -5.480 11.282 1.00 0.00 C ATOM 42 CZ PHE A 3 -1.134 -5.358 11.863 1.00 0.00 C ATOM 0 H PHE A 3 1.329 -0.860 14.225 1.00 0.00 H new ATOM 0 HA PHE A 3 2.975 -2.844 12.769 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.854 -1.000 11.579 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.999 -1.938 10.640 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.058 -2.047 12.643 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.947 -4.455 10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.542 -4.026 12.803 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.465 -6.436 10.906 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.781 -6.220 11.933 1.00 0.00 H new ATOM 52 N ARG A 4 4.513 -1.030 11.876 1.00 0.00 N ATOM 53 CA ARG A 4 5.547 -0.023 11.652 1.00 0.00 C ATOM 54 C ARG A 4 6.177 -0.189 10.280 1.00 0.00 C ATOM 55 O ARG A 4 6.344 -1.314 9.796 1.00 0.00 O ATOM 56 CB ARG A 4 6.647 -0.123 12.714 1.00 0.00 C ATOM 57 CG ARG A 4 7.477 1.194 12.742 1.00 0.00 C ATOM 58 CD ARG A 4 8.938 0.899 13.079 1.00 0.00 C ATOM 59 NE ARG A 4 9.052 0.244 14.400 1.00 0.00 N ATOM 60 CZ ARG A 4 9.004 0.927 15.576 1.00 0.00 C ATOM 61 NH1 ARG A 4 8.830 2.236 15.604 1.00 0.00 N ATOM 62 NH2 ARG A 4 9.138 0.276 16.699 1.00 0.00 N ATOM 0 H ARG A 4 4.700 -1.931 11.436 1.00 0.00 H new ATOM 0 HA ARG A 4 5.067 0.953 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.204 -0.305 13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.299 -0.969 12.497 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.414 1.691 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.059 1.879 13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.370 0.257 12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.510 1.827 13.078 1.00 0.00 H new ATOM 0 HE ARG A 4 9.172 -0.768 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.728 2.756 14.732 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.797 2.727 16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.277 -0.734 16.689 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.104 0.778 17.586 1.00 0.00 H new ATOM 76 N VAL A 5 6.554 0.938 9.670 1.00 0.00 N ATOM 77 CA VAL A 5 7.202 0.933 8.365 1.00 0.00 C ATOM 78 C VAL A 5 8.479 1.783 8.394 1.00 0.00 C ATOM 79 O VAL A 5 8.578 2.731 9.183 1.00 0.00 O ATOM 80 CB VAL A 5 6.218 1.403 7.278 1.00 0.00 C ATOM 81 CG1 VAL A 5 5.923 2.906 7.390 1.00 0.00 C ATOM 82 CG2 VAL A 5 6.774 1.083 5.891 1.00 0.00 C ATOM 0 H VAL A 5 6.418 1.868 10.066 1.00 0.00 H new ATOM 0 HA VAL A 5 7.499 -0.086 8.119 1.00 0.00 H new ATOM 0 HB VAL A 5 5.281 0.867 7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.225 3.199 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.484 3.119 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.850 3.468 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.070 1.420 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.727 1.593 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.922 0.007 5.798 1.00 0.00 H new ATOM 92 N VAL A 6 9.456 1.425 7.553 1.00 0.00 N ATOM 93 CA VAL A 6 10.731 2.148 7.511 1.00 0.00 C ATOM 94 C VAL A 6 10.805 3.016 6.257 1.00 0.00 C ATOM 95 O VAL A 6 10.674 2.521 5.128 1.00 0.00 O ATOM 96 CB VAL A 6 11.928 1.158 7.565 1.00 0.00 C ATOM 97 CG1 VAL A 6 13.265 1.923 7.537 1.00 0.00 C ATOM 98 CG2 VAL A 6 11.857 0.328 8.853 1.00 0.00 C ATOM 0 H VAL A 6 9.389 0.646 6.898 1.00 0.00 H new ATOM 0 HA VAL A 6 10.790 2.796 8.386 1.00 0.00 H new ATOM 0 HB VAL A 6 11.871 0.503 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.091 1.213 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.331 2.507 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.320 2.591 8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.698 -0.365 8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.899 0.992 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.923 -0.234 8.873 1.00 0.00 H new ATOM 108 N GLY A 7 11.013 4.312 6.480 1.00 0.00 N ATOM 109 CA GLY A 7 11.117 5.289 5.409 1.00 0.00 C ATOM 110 C GLY A 7 12.586 5.577 5.027 1.00 0.00 C ATOM 111 O GLY A 7 12.908 5.583 3.836 1.00 0.00 O ATOM 0 H GLY A 7 11.114 4.711 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.580 4.925 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.634 6.217 5.717 1.00 0.00 H new ATOM 115 N PRO A 8 13.505 5.817 6.007 1.00 0.00 N ATOM 116 CA PRO A 8 14.941 6.092 5.686 1.00 0.00 C ATOM 117 C PRO A 8 15.478 5.100 4.661 1.00 0.00 C ATOM 118 O PRO A 8 15.804 3.955 4.993 1.00 0.00 O ATOM 119 CB PRO A 8 15.646 5.911 7.027 1.00 0.00 C ATOM 120 CG PRO A 8 14.627 6.286 8.048 1.00 0.00 C ATOM 121 CD PRO A 8 13.273 5.858 7.481 1.00 0.00 C ATOM 0 HA PRO A 8 15.091 7.080 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.981 4.883 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.529 6.546 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.826 5.788 8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.646 7.359 8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.967 4.885 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.487 6.566 7.743 1.00 0.00 H new ATOM 129 N ASN A 9 15.556 5.558 3.416 1.00 0.00 N ATOM 130 CA ASN A 9 16.039 4.741 2.313 1.00 0.00 C ATOM 131 C ASN A 9 16.842 5.591 1.353 1.00 0.00 C ATOM 132 O ASN A 9 16.769 6.827 1.399 1.00 0.00 O ATOM 133 CB ASN A 9 14.864 4.096 1.577 1.00 0.00 C ATOM 134 CG ASN A 9 14.079 3.201 2.529 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.670 2.460 3.315 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.775 3.222 2.503 1.00 0.00 N ATOM 0 H ASN A 9 15.286 6.504 3.145 1.00 0.00 H new ATOM 0 HA ASN A 9 16.678 3.954 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.211 4.868 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.230 3.511 0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.243 2.624 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.288 3.837 1.851 1.00 0.00 H new ATOM 143 N LEU A 10 17.596 4.932 0.474 1.00 0.00 N ATOM 144 CA LEU A 10 18.401 5.646 -0.507 1.00 0.00 C ATOM 145 C LEU A 10 17.517 6.330 -1.576 1.00 0.00 C ATOM 146 O LEU A 10 16.398 5.871 -1.830 1.00 0.00 O ATOM 147 CB LEU A 10 19.524 4.740 -1.154 1.00 0.00 C ATOM 148 CG LEU A 10 19.020 3.374 -1.789 1.00 0.00 C ATOM 149 CD1 LEU A 10 18.809 2.295 -0.706 1.00 0.00 C ATOM 150 CD2 LEU A 10 17.734 3.538 -2.638 1.00 0.00 C ATOM 0 H LEU A 10 17.664 3.916 0.423 1.00 0.00 H new ATOM 0 HA LEU A 10 18.926 6.433 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.029 5.316 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 10 20.268 4.513 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 10 19.812 3.049 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.464 1.373 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.750 2.110 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.063 2.639 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.440 2.570 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 10 16.931 3.927 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.924 4.232 -3.456 1.00 0.00 H new ATOM 162 N PRO A 11 17.969 7.450 -2.181 1.00 0.00 N ATOM 163 CA PRO A 11 17.153 8.186 -3.204 1.00 0.00 C ATOM 164 C PRO A 11 16.824 7.315 -4.412 1.00 0.00 C ATOM 165 O PRO A 11 17.686 6.577 -4.903 1.00 0.00 O ATOM 166 CB PRO A 11 18.061 9.354 -3.623 1.00 0.00 C ATOM 167 CG PRO A 11 19.017 9.527 -2.495 1.00 0.00 C ATOM 168 CD PRO A 11 19.278 8.131 -1.962 1.00 0.00 C ATOM 0 HA PRO A 11 16.190 8.502 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.585 9.132 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.482 10.262 -3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.941 9.996 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.598 10.170 -1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.087 7.637 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 11 19.557 8.145 -0.908 1.00 0.00 H new ATOM 176 N ILE A 12 15.596 7.458 -4.935 1.00 0.00 N ATOM 177 CA ILE A 12 15.195 6.728 -6.151 1.00 0.00 C ATOM 178 C ILE A 12 15.180 7.712 -7.321 1.00 0.00 C ATOM 179 O ILE A 12 14.500 8.738 -7.266 1.00 0.00 O ATOM 180 CB ILE A 12 13.802 6.062 -5.969 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.858 5.099 -4.760 1.00 0.00 C ATOM 182 CG2 ILE A 12 13.447 5.254 -7.241 1.00 0.00 C ATOM 183 CD1 ILE A 12 12.441 4.674 -4.352 1.00 0.00 C ATOM 0 H ILE A 12 14.873 8.062 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 12 15.908 5.928 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 12 13.048 6.831 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.450 4.220 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.355 5.586 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.470 4.787 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.420 5.923 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.200 4.483 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.496 3.996 -3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.861 5.556 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.958 4.168 -5.188 1.00 0.00 H new ATOM 195 N LEU A 13 16.008 7.430 -8.338 1.00 0.00 N ATOM 196 CA LEU A 13 16.171 8.337 -9.477 1.00 0.00 C ATOM 197 C LEU A 13 15.425 7.837 -10.713 1.00 0.00 C ATOM 198 O LEU A 13 15.682 6.736 -11.207 1.00 0.00 O ATOM 199 CB LEU A 13 17.673 8.500 -9.798 1.00 0.00 C ATOM 200 CG LEU A 13 17.958 9.913 -10.345 1.00 0.00 C ATOM 201 CD1 LEU A 13 19.458 10.210 -10.250 1.00 0.00 C ATOM 202 CD2 LEU A 13 17.507 10.006 -11.807 1.00 0.00 C ATOM 0 H LEU A 13 16.573 6.582 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 13 15.743 9.301 -9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.264 8.326 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.978 7.752 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 13 17.407 10.643 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.656 11.209 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.775 10.155 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.012 9.477 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.711 11.007 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.051 9.273 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.438 9.804 -11.871 1.00 0.00 H new ATOM 214 N ALA A 14 14.527 8.686 -11.230 1.00 0.00 N ATOM 215 CA ALA A 14 13.765 8.376 -12.438 1.00 0.00 C ATOM 216 C ALA A 14 13.619 9.625 -13.311 1.00 0.00 C ATOM 217 O ALA A 14 13.373 10.721 -12.799 1.00 0.00 O ATOM 218 CB ALA A 14 12.382 7.838 -12.069 1.00 0.00 C ATOM 0 H ALA A 14 14.313 9.597 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 14 14.305 7.613 -12.999 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.825 7.611 -12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.491 6.931 -11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.842 8.588 -11.491 1.00 0.00 H new ATOM 224 N LYS A 15 13.774 9.447 -14.628 1.00 0.00 N ATOM 225 CA LYS A 15 13.663 10.558 -15.581 1.00 0.00 C ATOM 226 C LYS A 15 12.205 10.814 -15.957 1.00 0.00 C ATOM 227 O LYS A 15 11.405 9.877 -16.033 1.00 0.00 O ATOM 228 CB LYS A 15 14.470 10.247 -16.844 1.00 0.00 C ATOM 229 CG LYS A 15 15.959 10.181 -16.500 1.00 0.00 C ATOM 230 CD LYS A 15 16.762 9.863 -17.763 1.00 0.00 C ATOM 231 CE LYS A 15 18.252 9.776 -17.416 1.00 0.00 C ATOM 232 NZ LYS A 15 18.734 11.107 -16.946 1.00 0.00 N ATOM 0 H LYS A 15 13.977 8.545 -15.058 1.00 0.00 H new ATOM 0 HA LYS A 15 14.061 11.454 -15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.143 9.299 -17.272 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.295 11.015 -17.598 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.288 11.130 -16.077 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.134 9.417 -15.743 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.423 8.921 -18.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.598 10.635 -18.515 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.412 9.026 -16.642 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.822 9.459 -18.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.771 11.146 -17.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.318 11.855 -17.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.450 11.249 -15.956 1.00 0.00 H new ATOM 246 N VAL A 16 11.871 12.091 -16.215 1.00 0.00 N ATOM 247 CA VAL A 16 10.509 12.460 -16.612 1.00 0.00 C ATOM 248 C VAL A 16 10.134 11.757 -17.926 1.00 0.00 C ATOM 249 O VAL A 16 10.949 11.666 -18.849 1.00 0.00 O ATOM 250 CB VAL A 16 10.372 14.000 -16.734 1.00 0.00 C ATOM 251 CG1 VAL A 16 11.334 14.538 -17.800 1.00 0.00 C ATOM 252 CG2 VAL A 16 8.925 14.379 -17.110 1.00 0.00 C ATOM 0 H VAL A 16 12.521 12.875 -16.155 1.00 0.00 H new ATOM 0 HA VAL A 16 9.814 12.130 -15.840 1.00 0.00 H new ATOM 0 HB VAL A 16 10.621 14.444 -15.770 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.226 15.620 -17.874 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.359 14.293 -17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.101 14.083 -18.763 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.842 15.463 -17.192 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.665 13.922 -18.065 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.243 14.021 -16.339 1.00 0.00 H new ATOM 262 N GLY A 17 8.917 11.220 -17.966 1.00 0.00 N ATOM 263 CA GLY A 17 8.433 10.463 -19.131 1.00 0.00 C ATOM 264 C GLY A 17 8.655 8.952 -18.930 1.00 0.00 C ATOM 265 O GLY A 17 7.949 8.128 -19.516 1.00 0.00 O ATOM 0 H GLY A 17 8.242 11.292 -17.205 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.373 10.662 -19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.954 10.796 -20.029 1.00 0.00 H new ATOM 269 N GLU A 18 9.597 8.607 -18.036 1.00 0.00 N ATOM 270 CA GLU A 18 9.869 7.224 -17.676 1.00 0.00 C ATOM 271 C GLU A 18 9.161 6.906 -16.372 1.00 0.00 C ATOM 272 O GLU A 18 8.785 7.823 -15.636 1.00 0.00 O ATOM 273 CB GLU A 18 11.379 6.994 -17.518 1.00 0.00 C ATOM 274 CG GLU A 18 12.086 7.247 -18.854 1.00 0.00 C ATOM 275 CD GLU A 18 13.588 7.037 -18.698 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.971 6.003 -18.177 1.00 0.00 O ATOM 277 OE2 GLU A 18 14.334 7.915 -19.099 1.00 0.00 O ATOM 0 H GLU A 18 10.184 9.284 -17.549 1.00 0.00 H new ATOM 0 HA GLU A 18 9.504 6.569 -18.467 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.779 7.659 -16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.568 5.974 -17.184 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.694 6.573 -19.616 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.886 8.263 -19.194 1.00 0.00 H new ATOM 284 N ASP A 19 8.977 5.619 -16.082 1.00 0.00 N ATOM 285 CA ASP A 19 8.305 5.220 -14.848 1.00 0.00 C ATOM 286 C ASP A 19 9.241 5.378 -13.648 1.00 0.00 C ATOM 287 O ASP A 19 10.465 5.418 -13.806 1.00 0.00 O ATOM 288 CB ASP A 19 7.798 3.767 -14.963 1.00 0.00 C ATOM 289 CG ASP A 19 8.957 2.777 -15.232 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.111 3.197 -15.237 1.00 0.00 O ATOM 291 OD2 ASP A 19 8.663 1.610 -15.430 1.00 0.00 O ATOM 0 H ASP A 19 9.279 4.846 -16.675 1.00 0.00 H new ATOM 0 HA ASP A 19 7.446 5.873 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.286 3.486 -14.043 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.067 3.699 -15.769 1.00 0.00 H new ATOM 296 N ALA A 20 8.650 5.502 -12.450 1.00 0.00 N ATOM 297 CA ALA A 20 9.421 5.699 -11.216 1.00 0.00 C ATOM 298 C ALA A 20 9.008 4.690 -10.155 1.00 0.00 C ATOM 299 O ALA A 20 7.951 4.060 -10.266 1.00 0.00 O ATOM 300 CB ALA A 20 9.229 7.122 -10.690 1.00 0.00 C ATOM 0 H ALA A 20 7.640 5.469 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 20 10.476 5.547 -11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.807 7.253 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.570 7.836 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.173 7.293 -10.480 1.00 0.00 H new ATOM 306 N LEU A 21 9.882 4.490 -9.159 1.00 0.00 N ATOM 307 CA LEU A 21 9.644 3.494 -8.114 1.00 0.00 C ATOM 308 C LEU A 21 9.445 4.142 -6.740 1.00 0.00 C ATOM 309 O LEU A 21 10.329 4.836 -6.235 1.00 0.00 O ATOM 310 CB LEU A 21 10.842 2.524 -8.049 1.00 0.00 C ATOM 311 CG LEU A 21 10.542 1.336 -7.102 1.00 0.00 C ATOM 312 CD1 LEU A 21 9.463 0.427 -7.709 1.00 0.00 C ATOM 313 CD2 LEU A 21 11.822 0.525 -6.880 1.00 0.00 C ATOM 0 H LEU A 21 10.757 5.005 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 21 8.730 2.957 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.067 2.150 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.727 3.056 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 21 10.181 1.727 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.263 -0.403 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.548 1.000 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.811 0.039 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.612 -0.311 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.183 0.145 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.584 1.163 -6.432 1.00 0.00 H new ATOM 325 N LEU A 22 8.312 3.823 -6.109 1.00 0.00 N ATOM 326 CA LEU A 22 8.028 4.273 -4.738 1.00 0.00 C ATOM 327 C LEU A 22 8.071 3.046 -3.829 1.00 0.00 C ATOM 328 O LEU A 22 7.324 2.105 -4.060 1.00 0.00 O ATOM 329 CB LEU A 22 6.620 4.909 -4.667 1.00 0.00 C ATOM 330 CG LEU A 22 6.490 6.090 -5.660 1.00 0.00 C ATOM 331 CD1 LEU A 22 5.038 6.567 -5.687 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.381 7.260 -5.218 1.00 0.00 C ATOM 0 H LEU A 22 7.574 3.254 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 22 8.762 5.017 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.866 4.155 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.427 5.260 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 22 6.800 5.752 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.941 7.399 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.392 5.749 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.744 6.894 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.279 8.083 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.077 7.595 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.421 6.934 -5.188 1.00 0.00 H new ATOM 344 N THR A 23 8.993 3.019 -2.839 1.00 0.00 N ATOM 345 CA THR A 23 9.142 1.812 -1.991 1.00 0.00 C ATOM 346 C THR A 23 9.395 2.116 -0.507 1.00 0.00 C ATOM 347 O THR A 23 10.044 3.101 -0.150 1.00 0.00 O ATOM 348 CB THR A 23 10.271 0.918 -2.541 1.00 0.00 C ATOM 349 OG1 THR A 23 10.386 -0.247 -1.737 1.00 0.00 O ATOM 350 CG2 THR A 23 11.610 1.678 -2.544 1.00 0.00 C ATOM 0 H THR A 23 9.624 3.788 -2.612 1.00 0.00 H new ATOM 0 HA THR A 23 8.185 1.293 -2.036 1.00 0.00 H new ATOM 0 HB THR A 23 10.028 0.636 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.493 -0.607 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.395 1.031 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.524 2.565 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.861 1.977 -1.526 1.00 0.00 H new ATOM 358 N CYS A 24 8.882 1.214 0.338 1.00 0.00 N ATOM 359 CA CYS A 24 9.031 1.288 1.798 1.00 0.00 C ATOM 360 C CYS A 24 9.071 -0.131 2.384 1.00 0.00 C ATOM 361 O CYS A 24 8.775 -1.099 1.674 1.00 0.00 O ATOM 362 CB CYS A 24 7.870 2.082 2.414 1.00 0.00 C ATOM 363 SG CYS A 24 6.294 1.262 2.015 1.00 0.00 S ATOM 0 H CYS A 24 8.346 0.404 0.025 1.00 0.00 H new ATOM 0 HA CYS A 24 9.963 1.801 2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.994 2.149 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.869 3.102 2.030 1.00 0.00 H new ATOM 368 N GLN A 25 9.472 -0.260 3.668 1.00 0.00 N ATOM 369 CA GLN A 25 9.576 -1.600 4.301 1.00 0.00 C ATOM 370 C GLN A 25 8.569 -1.765 5.434 1.00 0.00 C ATOM 371 O GLN A 25 8.632 -1.049 6.432 1.00 0.00 O ATOM 372 CB GLN A 25 10.993 -1.830 4.845 1.00 0.00 C ATOM 373 CG GLN A 25 12.014 -1.748 3.706 1.00 0.00 C ATOM 374 CD GLN A 25 13.410 -2.072 4.231 1.00 0.00 C ATOM 375 OE1 GLN A 25 13.631 -3.148 4.788 1.00 0.00 O ATOM 376 NE2 GLN A 25 14.370 -1.200 4.086 1.00 0.00 N ATOM 0 H GLN A 25 9.723 0.521 4.274 1.00 0.00 H new ATOM 0 HA GLN A 25 9.355 -2.339 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.224 -1.084 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.052 -2.806 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.744 -2.446 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.004 -0.750 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.185 -0.310 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.306 -1.409 4.434 1.00 0.00 H new ATOM 385 N LEU A 26 7.658 -2.746 5.283 1.00 0.00 N ATOM 386 CA LEU A 26 6.632 -3.023 6.304 1.00 0.00 C ATOM 387 C LEU A 26 6.549 -4.517 6.620 1.00 0.00 C ATOM 388 O LEU A 26 6.857 -5.353 5.776 1.00 0.00 O ATOM 389 CB LEU A 26 5.249 -2.504 5.838 1.00 0.00 C ATOM 390 CG LEU A 26 4.853 -3.135 4.457 1.00 0.00 C ATOM 391 CD1 LEU A 26 3.968 -4.372 4.667 1.00 0.00 C ATOM 392 CD2 LEU A 26 4.071 -2.109 3.618 1.00 0.00 C ATOM 0 H LEU A 26 7.613 -3.357 4.467 1.00 0.00 H new ATOM 0 HA LEU A 26 6.922 -2.498 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.493 -2.749 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.273 -1.418 5.753 1.00 0.00 H new ATOM 0 HG LEU A 26 5.767 -3.424 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.702 -4.798 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.512 -5.113 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.061 -4.084 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.799 -2.553 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.167 -1.816 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.692 -1.230 3.447 1.00 0.00 H new ATOM 404 N LEU A 27 6.108 -4.841 7.840 1.00 0.00 N ATOM 405 CA LEU A 27 5.954 -6.241 8.259 1.00 0.00 C ATOM 406 C LEU A 27 4.456 -6.597 8.419 1.00 0.00 C ATOM 407 O LEU A 27 3.845 -6.206 9.419 1.00 0.00 O ATOM 408 CB LEU A 27 6.676 -6.474 9.600 1.00 0.00 C ATOM 409 CG LEU A 27 8.183 -6.189 9.461 1.00 0.00 C ATOM 410 CD1 LEU A 27 8.819 -6.164 10.851 1.00 0.00 C ATOM 411 CD2 LEU A 27 8.851 -7.298 8.629 1.00 0.00 C ATOM 0 H LEU A 27 5.852 -4.158 8.553 1.00 0.00 H new ATOM 0 HA LEU A 27 6.393 -6.878 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.248 -5.829 10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.524 -7.502 9.927 1.00 0.00 H new ATOM 0 HG LEU A 27 8.322 -5.228 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.886 -5.963 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.352 -5.382 11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.672 -7.129 11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.917 -7.090 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.711 -8.259 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.399 -7.332 7.638 1.00 0.00 H new ATOM 423 N PRO A 28 3.835 -7.345 7.464 1.00 0.00 N ATOM 424 CA PRO A 28 2.391 -7.727 7.578 1.00 0.00 C ATOM 425 C PRO A 28 2.177 -8.813 8.626 1.00 0.00 C ATOM 426 O PRO A 28 2.916 -9.802 8.667 1.00 0.00 O ATOM 427 CB PRO A 28 2.045 -8.249 6.184 1.00 0.00 C ATOM 428 CG PRO A 28 3.328 -8.790 5.653 1.00 0.00 C ATOM 429 CD PRO A 28 4.432 -7.892 6.210 1.00 0.00 C ATOM 0 HA PRO A 28 1.766 -6.891 7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.278 -9.022 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.658 -7.453 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.473 -9.824 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.332 -8.782 4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.344 -8.454 6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.695 -7.098 5.511 1.00 0.00 H new ATOM 437 N LYS A 29 1.141 -8.636 9.446 1.00 0.00 N ATOM 438 CA LYS A 29 0.793 -9.628 10.476 1.00 0.00 C ATOM 439 C LYS A 29 0.294 -10.919 9.812 1.00 0.00 C ATOM 440 O LYS A 29 0.646 -12.029 10.219 1.00 0.00 O ATOM 441 CB LYS A 29 -0.294 -9.055 11.411 1.00 0.00 C ATOM 442 CG LYS A 29 -0.631 -10.066 12.518 1.00 0.00 C ATOM 443 CD LYS A 29 -1.699 -9.487 13.439 1.00 0.00 C ATOM 444 CE LYS A 29 -2.040 -10.515 14.512 1.00 0.00 C ATOM 445 NZ LYS A 29 -3.079 -9.959 15.424 1.00 0.00 N ATOM 0 H LYS A 29 0.528 -7.821 9.422 1.00 0.00 H new ATOM 0 HA LYS A 29 1.681 -9.857 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.053 -8.122 11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.191 -8.821 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.985 -10.998 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.265 -10.305 13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.340 -8.567 13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.591 -9.230 12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.402 -11.433 14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.146 -10.775 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.311 -10.661 16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.718 -9.095 15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.935 -9.732 14.878 1.00 0.00 H new ATOM 459 N ARG A 30 -0.554 -10.735 8.818 1.00 0.00 N ATOM 460 CA ARG A 30 -1.179 -11.823 8.078 1.00 0.00 C ATOM 461 C ARG A 30 -1.341 -11.403 6.622 1.00 0.00 C ATOM 462 O ARG A 30 -0.955 -10.288 6.249 1.00 0.00 O ATOM 463 CB ARG A 30 -2.564 -12.122 8.699 1.00 0.00 C ATOM 464 CG ARG A 30 -3.019 -13.593 8.418 1.00 0.00 C ATOM 465 CD ARG A 30 -4.295 -13.613 7.538 1.00 0.00 C ATOM 466 NE ARG A 30 -5.385 -12.851 8.185 1.00 0.00 N ATOM 467 CZ ARG A 30 -6.285 -13.408 9.038 1.00 0.00 C ATOM 468 NH1 ARG A 30 -6.243 -14.691 9.340 1.00 0.00 N ATOM 469 NH2 ARG A 30 -7.208 -12.657 9.572 1.00 0.00 N ATOM 0 H ARG A 30 -0.835 -9.810 8.494 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.560 -12.719 8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.525 -11.953 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.302 -11.429 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.218 -14.138 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.213 -14.105 9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.076 -13.185 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.613 -14.642 7.372 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.466 -11.855 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.524 -15.288 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.929 -15.086 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.249 -11.663 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.889 -13.064 10.213 1.00 0.00 H new ATOM 483 N THR A 31 -1.945 -12.278 5.798 1.00 0.00 N ATOM 484 CA THR A 31 -2.195 -11.960 4.384 1.00 0.00 C ATOM 485 C THR A 31 -2.834 -10.564 4.285 1.00 0.00 C ATOM 486 O THR A 31 -3.616 -10.175 5.157 1.00 0.00 O ATOM 487 CB THR A 31 -3.127 -13.020 3.764 1.00 0.00 C ATOM 488 OG1 THR A 31 -2.561 -14.310 3.960 1.00 0.00 O ATOM 489 CG2 THR A 31 -3.288 -12.765 2.261 1.00 0.00 C ATOM 0 H THR A 31 -2.266 -13.203 6.085 1.00 0.00 H new ATOM 0 HA THR A 31 -1.253 -11.964 3.836 1.00 0.00 H new ATOM 0 HB THR A 31 -4.104 -12.962 4.244 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.150 -14.989 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.948 -13.519 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.717 -11.776 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.313 -12.819 1.776 1.00 0.00 H new ATOM 497 N THR A 32 -2.414 -9.790 3.283 1.00 0.00 N ATOM 498 CA THR A 32 -2.861 -8.391 3.146 1.00 0.00 C ATOM 499 C THR A 32 -4.251 -8.278 2.476 1.00 0.00 C ATOM 500 O THR A 32 -4.571 -7.256 1.845 1.00 0.00 O ATOM 501 CB THR A 32 -1.818 -7.553 2.377 1.00 0.00 C ATOM 502 OG1 THR A 32 -1.716 -8.025 1.042 1.00 0.00 O ATOM 503 CG2 THR A 32 -0.444 -7.654 3.061 1.00 0.00 C ATOM 0 H THR A 32 -1.769 -10.100 2.556 1.00 0.00 H new ATOM 0 HA THR A 32 -2.958 -7.991 4.155 1.00 0.00 H new ATOM 0 HB THR A 32 -2.138 -6.511 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.054 -7.490 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.282 -7.058 2.508 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.518 -7.280 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.122 -8.695 3.078 1.00 0.00 H new ATOM 511 N ALA A 33 -5.085 -9.317 2.660 1.00 0.00 N ATOM 512 CA ALA A 33 -6.453 -9.325 2.134 1.00 0.00 C ATOM 513 C ALA A 33 -7.305 -8.213 2.779 1.00 0.00 C ATOM 514 O ALA A 33 -8.325 -7.804 2.219 1.00 0.00 O ATOM 515 CB ALA A 33 -7.104 -10.688 2.383 1.00 0.00 C ATOM 0 H ALA A 33 -4.830 -10.162 3.171 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.402 -9.138 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.120 -10.683 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.524 -11.465 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.132 -10.888 3.454 1.00 0.00 H new ATOM 521 N HIS A 34 -6.889 -7.754 3.976 1.00 0.00 N ATOM 522 CA HIS A 34 -7.602 -6.677 4.697 1.00 0.00 C ATOM 523 C HIS A 34 -6.695 -5.435 4.933 1.00 0.00 C ATOM 524 O HIS A 34 -7.169 -4.397 5.397 1.00 0.00 O ATOM 525 CB HIS A 34 -8.131 -7.191 6.049 1.00 0.00 C ATOM 526 CG HIS A 34 -9.091 -8.334 5.828 1.00 0.00 C ATOM 527 ND1 HIS A 34 -10.351 -8.145 5.282 1.00 0.00 N ATOM 528 CD2 HIS A 34 -8.985 -9.679 6.073 1.00 0.00 C ATOM 529 CE1 HIS A 34 -10.948 -9.351 5.217 1.00 0.00 C ATOM 530 NE2 HIS A 34 -10.158 -10.320 5.687 1.00 0.00 N ATOM 0 H HIS A 34 -6.067 -8.110 4.464 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.438 -6.371 4.068 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.300 -7.519 6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.631 -6.384 6.584 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.122 -10.167 6.501 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.944 -9.514 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.369 -11.316 5.750 1.00 0.00 H new ATOM 538 N MET A 35 -5.388 -5.576 4.643 1.00 0.00 N ATOM 539 CA MET A 35 -4.400 -4.500 4.856 1.00 0.00 C ATOM 540 C MET A 35 -4.414 -3.509 3.700 1.00 0.00 C ATOM 541 O MET A 35 -4.707 -3.879 2.559 1.00 0.00 O ATOM 542 CB MET A 35 -2.997 -5.110 4.973 1.00 0.00 C ATOM 543 CG MET A 35 -2.785 -5.703 6.370 1.00 0.00 C ATOM 544 SD MET A 35 -3.778 -7.203 6.568 1.00 0.00 S ATOM 545 CE MET A 35 -2.989 -7.793 8.084 1.00 0.00 C ATOM 0 H MET A 35 -4.989 -6.432 4.257 1.00 0.00 H new ATOM 0 HA MET A 35 -4.662 -3.973 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.867 -5.886 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.244 -4.346 4.778 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.730 -5.934 6.519 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.062 -4.972 7.130 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.454 -8.728 8.396 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.927 -7.959 7.901 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.110 -7.048 8.871 1.00 0.00 H new ATOM 555 N GLU A 36 -4.069 -2.246 4.000 1.00 0.00 N ATOM 556 CA GLU A 36 -4.017 -1.198 2.973 1.00 0.00 C ATOM 557 C GLU A 36 -2.840 -0.260 3.186 1.00 0.00 C ATOM 558 O GLU A 36 -2.501 0.078 4.319 1.00 0.00 O ATOM 559 CB GLU A 36 -5.340 -0.384 2.888 1.00 0.00 C ATOM 560 CG GLU A 36 -5.959 -0.140 4.286 1.00 0.00 C ATOM 561 CD GLU A 36 -6.704 1.190 4.307 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.058 2.211 4.138 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.909 1.169 4.491 1.00 0.00 O ATOM 0 H GLU A 36 -3.824 -1.930 4.938 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.882 -1.714 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.147 0.574 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.055 -0.918 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.642 -0.952 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.175 -0.138 5.044 1.00 0.00 H new ATOM 570 N VAL A 37 -2.233 0.172 2.074 1.00 0.00 N ATOM 571 CA VAL A 37 -1.095 1.100 2.116 1.00 0.00 C ATOM 572 C VAL A 37 -1.301 2.262 1.149 1.00 0.00 C ATOM 573 O VAL A 37 -2.015 2.125 0.152 1.00 0.00 O ATOM 574 CB VAL A 37 0.229 0.373 1.824 1.00 0.00 C ATOM 575 CG1 VAL A 37 0.499 -0.653 2.927 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.147 -0.344 0.469 1.00 0.00 C ATOM 0 H VAL A 37 -2.511 -0.106 1.133 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.037 1.506 3.126 1.00 0.00 H new ATOM 0 HB VAL A 37 1.038 1.103 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.437 -1.169 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.568 -0.144 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.315 -1.377 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.089 -0.856 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.664 -1.072 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.042 0.386 -0.318 1.00 0.00 H new ATOM 586 N ARG A 38 -0.723 3.433 1.487 1.00 0.00 N ATOM 587 CA ARG A 38 -0.915 4.642 0.672 1.00 0.00 C ATOM 588 C ARG A 38 0.421 5.321 0.317 1.00 0.00 C ATOM 589 O ARG A 38 1.351 5.365 1.138 1.00 0.00 O ATOM 590 CB ARG A 38 -1.810 5.631 1.432 1.00 0.00 C ATOM 591 CG ARG A 38 -3.210 5.024 1.629 1.00 0.00 C ATOM 592 CD ARG A 38 -4.048 5.950 2.516 1.00 0.00 C ATOM 593 NE ARG A 38 -5.381 5.367 2.769 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.444 5.553 1.945 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.346 6.286 0.852 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.585 4.987 2.232 1.00 0.00 N ATOM 0 H ARG A 38 -0.129 3.563 2.306 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.389 4.342 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.367 5.867 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.884 6.567 0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.698 4.888 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.130 4.038 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.534 6.118 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.156 6.922 2.035 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.510 4.796 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.458 6.727 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.158 6.412 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.672 4.411 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.389 5.121 1.619 1.00 0.00 H new ATOM 610 N TRP A 39 0.474 5.893 -0.906 1.00 0.00 N ATOM 611 CA TRP A 39 1.652 6.634 -1.398 1.00 0.00 C ATOM 612 C TRP A 39 1.252 8.094 -1.711 1.00 0.00 C ATOM 613 O TRP A 39 0.181 8.334 -2.284 1.00 0.00 O ATOM 614 CB TRP A 39 2.191 5.985 -2.692 1.00 0.00 C ATOM 615 CG TRP A 39 2.757 4.617 -2.422 1.00 0.00 C ATOM 616 CD1 TRP A 39 4.058 4.349 -2.147 1.00 0.00 C ATOM 617 CD2 TRP A 39 2.072 3.330 -2.425 1.00 0.00 C ATOM 618 NE1 TRP A 39 4.207 2.987 -1.971 1.00 0.00 N ATOM 619 CE2 TRP A 39 3.015 2.316 -2.132 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.735 2.947 -2.647 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.651 0.974 -2.063 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.365 1.591 -2.577 1.00 0.00 C ATOM 623 CH2 TRP A 39 1.324 0.608 -2.287 1.00 0.00 C ATOM 0 H TRP A 39 -0.295 5.853 -1.575 1.00 0.00 H new ATOM 0 HA TRP A 39 2.423 6.610 -0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.388 5.911 -3.426 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.962 6.621 -3.127 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.849 5.081 -2.077 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.093 2.533 -1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.009 3.697 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.392 0.221 -1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.662 1.305 -2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.034 -0.431 -2.237 1.00 0.00 H new ATOM 634 N TYR A 40 2.114 9.063 -1.337 1.00 0.00 N ATOM 635 CA TYR A 40 1.818 10.498 -1.591 1.00 0.00 C ATOM 636 C TYR A 40 2.999 11.213 -2.251 1.00 0.00 C ATOM 637 O TYR A 40 4.090 11.248 -1.691 1.00 0.00 O ATOM 638 CB TYR A 40 1.502 11.217 -0.273 1.00 0.00 C ATOM 639 CG TYR A 40 0.301 10.592 0.397 1.00 0.00 C ATOM 640 CD1 TYR A 40 0.484 9.636 1.403 1.00 0.00 C ATOM 641 CD2 TYR A 40 -0.987 10.973 0.016 1.00 0.00 C ATOM 642 CE1 TYR A 40 -0.624 9.064 2.030 1.00 0.00 C ATOM 643 CE2 TYR A 40 -2.096 10.399 0.642 1.00 0.00 C ATOM 644 CZ TYR A 40 -1.918 9.445 1.649 1.00 0.00 C ATOM 645 OH TYR A 40 -3.018 8.884 2.267 1.00 0.00 O ATOM 0 H TYR A 40 3.003 8.889 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 40 0.960 10.531 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.364 11.165 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.310 12.273 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.482 9.341 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.126 11.710 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.484 8.328 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.093 10.693 0.348 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.837 9.261 1.883 1.00 0.00 H new ATOM 655 N ARG A 41 2.742 11.897 -3.379 1.00 0.00 N ATOM 656 CA ARG A 41 3.783 12.711 -4.025 1.00 0.00 C ATOM 657 C ARG A 41 3.788 14.113 -3.405 1.00 0.00 C ATOM 658 O ARG A 41 3.202 15.059 -3.957 1.00 0.00 O ATOM 659 CB ARG A 41 3.555 12.805 -5.545 1.00 0.00 C ATOM 660 CG ARG A 41 3.577 11.410 -6.173 1.00 0.00 C ATOM 661 CD ARG A 41 3.183 11.510 -7.654 1.00 0.00 C ATOM 662 NE ARG A 41 1.808 12.035 -7.797 1.00 0.00 N ATOM 663 CZ ARG A 41 1.250 12.348 -8.996 1.00 0.00 C ATOM 664 NH1 ARG A 41 1.917 12.194 -10.124 1.00 0.00 N ATOM 665 NH2 ARG A 41 0.031 12.814 -9.030 1.00 0.00 N ATOM 0 H ARG A 41 1.840 11.903 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 41 4.749 12.233 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.598 13.287 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.327 13.427 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.571 10.973 -6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.887 10.751 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.882 12.162 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.252 10.527 -8.121 1.00 0.00 H new ATOM 0 HE ARG A 41 1.250 12.169 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.871 11.834 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.479 12.435 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.491 12.939 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.399 13.053 -9.924 1.00 0.00 H new ATOM 679 N SER A 42 4.406 14.228 -2.222 1.00 0.00 N ATOM 680 CA SER A 42 4.440 15.500 -1.491 1.00 0.00 C ATOM 681 C SER A 42 3.016 16.090 -1.337 1.00 0.00 C ATOM 682 O SER A 42 2.850 17.308 -1.206 1.00 0.00 O ATOM 683 CB SER A 42 5.343 16.498 -2.222 1.00 0.00 C ATOM 684 OG SER A 42 6.656 15.960 -2.322 1.00 0.00 O ATOM 0 H SER A 42 4.886 13.460 -1.754 1.00 0.00 H new ATOM 0 HA SER A 42 4.841 15.312 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.946 16.705 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.366 17.446 -1.685 1.00 0.00 H new ATOM 0 HG SER A 42 7.313 16.671 -2.168 1.00 0.00 H new ATOM 690 N ASP A 43 1.999 15.207 -1.348 1.00 0.00 N ATOM 691 CA ASP A 43 0.599 15.628 -1.210 1.00 0.00 C ATOM 692 C ASP A 43 -0.191 14.638 -0.296 1.00 0.00 C ATOM 693 O ASP A 43 -1.005 13.847 -0.795 1.00 0.00 O ATOM 694 CB ASP A 43 -0.071 15.734 -2.602 1.00 0.00 C ATOM 695 CG ASP A 43 -0.017 14.395 -3.366 1.00 0.00 C ATOM 696 OD1 ASP A 43 0.706 13.503 -2.944 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.708 14.288 -4.366 1.00 0.00 O ATOM 0 H ASP A 43 2.125 14.200 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 43 0.582 16.611 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.109 16.043 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.427 16.507 -3.187 1.00 0.00 H new ATOM 702 N PRO A 44 0.042 14.650 1.034 1.00 0.00 N ATOM 703 CA PRO A 44 -0.661 13.715 1.982 1.00 0.00 C ATOM 704 C PRO A 44 -2.185 13.766 1.827 1.00 0.00 C ATOM 705 O PRO A 44 -2.866 12.752 1.995 1.00 0.00 O ATOM 706 CB PRO A 44 -0.243 14.229 3.364 1.00 0.00 C ATOM 707 CG PRO A 44 1.084 14.862 3.137 1.00 0.00 C ATOM 708 CD PRO A 44 0.989 15.537 1.774 1.00 0.00 C ATOM 0 HA PRO A 44 -0.393 12.674 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.964 14.947 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.177 13.416 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.311 15.587 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.881 14.118 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.612 16.557 1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.960 15.593 1.281 1.00 0.00 H new ATOM 716 N ASP A 45 -2.708 14.960 1.538 1.00 0.00 N ATOM 717 CA ASP A 45 -4.154 15.158 1.391 1.00 0.00 C ATOM 718 C ASP A 45 -4.720 14.384 0.192 1.00 0.00 C ATOM 719 O ASP A 45 -5.881 13.960 0.218 1.00 0.00 O ATOM 720 CB ASP A 45 -4.471 16.647 1.239 1.00 0.00 C ATOM 721 CG ASP A 45 -5.973 16.880 1.375 1.00 0.00 C ATOM 722 OD1 ASP A 45 -6.545 16.383 2.333 1.00 0.00 O ATOM 723 OD2 ASP A 45 -6.529 17.551 0.522 1.00 0.00 O ATOM 0 H ASP A 45 -2.153 15.805 1.401 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.628 14.772 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.936 17.220 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.126 17.003 0.268 1.00 0.00 H new ATOM 728 N MET A 46 -3.914 14.248 -0.875 1.00 0.00 N ATOM 729 CA MET A 46 -4.368 13.576 -2.106 1.00 0.00 C ATOM 730 C MET A 46 -3.456 12.358 -2.469 1.00 0.00 C ATOM 731 O MET A 46 -2.394 12.553 -3.067 1.00 0.00 O ATOM 732 CB MET A 46 -4.371 14.597 -3.265 1.00 0.00 C ATOM 733 CG MET A 46 -4.929 13.956 -4.548 1.00 0.00 C ATOM 734 SD MET A 46 -6.677 13.547 -4.314 1.00 0.00 S ATOM 735 CE MET A 46 -6.916 12.683 -5.887 1.00 0.00 C ATOM 0 H MET A 46 -2.954 14.591 -0.911 1.00 0.00 H new ATOM 0 HA MET A 46 -5.375 13.193 -1.939 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.974 15.463 -2.993 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.358 14.957 -3.443 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.815 14.641 -5.388 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.364 13.056 -4.792 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.947 12.336 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.704 13.363 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.241 11.828 -5.939 1.00 0.00 H new ATOM 745 N PRO A 47 -3.869 11.098 -2.160 1.00 0.00 N ATOM 746 CA PRO A 47 -3.062 9.882 -2.530 1.00 0.00 C ATOM 747 C PRO A 47 -3.112 9.612 -4.034 1.00 0.00 C ATOM 748 O PRO A 47 -4.173 9.733 -4.656 1.00 0.00 O ATOM 749 CB PRO A 47 -3.752 8.746 -1.767 1.00 0.00 C ATOM 750 CG PRO A 47 -5.165 9.192 -1.614 1.00 0.00 C ATOM 751 CD PRO A 47 -5.116 10.709 -1.441 1.00 0.00 C ATOM 0 HA PRO A 47 -2.007 9.996 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.691 7.807 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.283 8.579 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.756 8.919 -2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.632 8.717 -0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.994 11.191 -1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.079 10.993 -0.389 1.00 0.00 H new ATOM 759 N VAL A 48 -1.968 9.214 -4.607 1.00 0.00 N ATOM 760 CA VAL A 48 -1.899 8.888 -6.039 1.00 0.00 C ATOM 761 C VAL A 48 -2.715 7.617 -6.313 1.00 0.00 C ATOM 762 O VAL A 48 -3.518 7.561 -7.248 1.00 0.00 O ATOM 763 CB VAL A 48 -0.417 8.676 -6.454 1.00 0.00 C ATOM 764 CG1 VAL A 48 -0.309 8.239 -7.930 1.00 0.00 C ATOM 765 CG2 VAL A 48 0.362 9.977 -6.254 1.00 0.00 C ATOM 0 H VAL A 48 -1.085 9.110 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.314 9.709 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 48 0.002 7.888 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.740 8.098 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.848 7.302 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.743 9.008 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.402 9.827 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.078 10.762 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.318 10.270 -5.205 1.00 0.00 H new ATOM 775 N ILE A 49 -2.473 6.608 -5.485 1.00 0.00 N ATOM 776 CA ILE A 49 -3.135 5.315 -5.592 1.00 0.00 C ATOM 777 C ILE A 49 -2.852 4.519 -4.306 1.00 0.00 C ATOM 778 O ILE A 49 -1.882 4.825 -3.599 1.00 0.00 O ATOM 779 CB ILE A 49 -2.629 4.572 -6.892 1.00 0.00 C ATOM 780 CG1 ILE A 49 -3.662 3.519 -7.377 1.00 0.00 C ATOM 781 CG2 ILE A 49 -1.260 3.894 -6.681 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.942 4.209 -7.902 1.00 0.00 C ATOM 0 H ILE A 49 -1.807 6.665 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.215 5.427 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.513 5.339 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.223 2.908 -8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.916 2.847 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.954 3.397 -7.602 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.519 4.647 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.338 3.159 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.652 3.453 -8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.391 4.800 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.687 4.862 -8.737 1.00 0.00 H new ATOM 794 N MET A 50 -3.669 3.501 -4.015 1.00 0.00 N ATOM 795 CA MET A 50 -3.445 2.686 -2.816 1.00 0.00 C ATOM 796 C MET A 50 -3.702 1.216 -3.068 1.00 0.00 C ATOM 797 O MET A 50 -4.548 0.847 -3.889 1.00 0.00 O ATOM 798 CB MET A 50 -4.302 3.178 -1.635 1.00 0.00 C ATOM 799 CG MET A 50 -5.798 3.092 -1.979 1.00 0.00 C ATOM 800 SD MET A 50 -6.763 3.617 -0.543 1.00 0.00 S ATOM 801 CE MET A 50 -8.407 3.304 -1.224 1.00 0.00 C ATOM 0 H MET A 50 -4.474 3.226 -4.578 1.00 0.00 H new ATOM 0 HA MET A 50 -2.393 2.801 -2.556 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.092 2.577 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.038 4.207 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.024 3.726 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.062 2.072 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 50 -9.162 3.533 -0.472 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.564 3.934 -2.099 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.488 2.256 -1.512 1.00 0.00 H new ATOM 811 N TYR A 51 -3.007 0.388 -2.300 1.00 0.00 N ATOM 812 CA TYR A 51 -3.175 -1.044 -2.354 1.00 0.00 C ATOM 813 C TYR A 51 -4.039 -1.442 -1.185 1.00 0.00 C ATOM 814 O TYR A 51 -3.596 -1.360 -0.059 1.00 0.00 O ATOM 815 CB TYR A 51 -1.780 -1.721 -2.225 1.00 0.00 C ATOM 816 CG TYR A 51 -1.711 -3.167 -2.813 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.496 -3.861 -2.738 1.00 0.00 C ATOM 818 CD2 TYR A 51 -2.829 -3.802 -3.426 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.385 -5.158 -3.256 1.00 0.00 C ATOM 820 CE2 TYR A 51 -2.707 -5.097 -3.940 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.488 -5.773 -3.856 1.00 0.00 C ATOM 822 OH TYR A 51 -1.370 -7.050 -4.365 1.00 0.00 O ATOM 0 H TYR A 51 -2.311 0.699 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.636 -1.351 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.040 -1.100 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.502 -1.756 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.361 -3.393 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.773 -3.282 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.556 -5.685 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.558 -5.575 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.228 -7.331 -4.746 1.00 0.00 H new ATOM 832 N ARG A 52 -5.298 -1.801 -1.457 1.00 0.00 N ATOM 833 CA ARG A 52 -6.255 -2.129 -0.389 1.00 0.00 C ATOM 834 C ARG A 52 -6.858 -3.522 -0.569 1.00 0.00 C ATOM 835 O ARG A 52 -7.328 -3.882 -1.652 1.00 0.00 O ATOM 836 CB ARG A 52 -7.362 -1.041 -0.323 1.00 0.00 C ATOM 837 CG ARG A 52 -8.409 -1.368 0.768 1.00 0.00 C ATOM 838 CD ARG A 52 -9.405 -0.212 0.879 1.00 0.00 C ATOM 839 NE ARG A 52 -10.418 -0.504 1.912 1.00 0.00 N ATOM 840 CZ ARG A 52 -11.543 -1.227 1.666 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.803 -1.706 0.463 1.00 0.00 N ATOM 842 NH2 ARG A 52 -12.382 -1.454 2.639 1.00 0.00 N ATOM 0 H ARG A 52 -5.679 -1.872 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.715 -2.143 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.909 -0.071 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.856 -0.963 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.933 -2.291 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.914 -1.530 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.877 0.709 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.893 -0.050 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.267 -0.146 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.153 -1.536 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.653 -2.246 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.191 -1.090 3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.229 -1.995 2.466 1.00 0.00 H new ATOM 856 N ASP A 53 -6.874 -4.268 0.529 1.00 0.00 N ATOM 857 CA ASP A 53 -7.451 -5.600 0.570 1.00 0.00 C ATOM 858 C ASP A 53 -6.833 -6.517 -0.499 1.00 0.00 C ATOM 859 O ASP A 53 -7.534 -7.318 -1.141 1.00 0.00 O ATOM 860 CB ASP A 53 -8.979 -5.518 0.404 1.00 0.00 C ATOM 861 CG ASP A 53 -9.594 -4.650 1.506 1.00 0.00 C ATOM 862 OD1 ASP A 53 -9.155 -4.755 2.639 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.498 -3.893 1.195 1.00 0.00 O ATOM 0 H ASP A 53 -6.484 -3.961 1.420 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.225 -6.038 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.222 -5.101 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.409 -6.519 0.440 1.00 0.00 H new ATOM 868 N GLY A 54 -5.514 -6.413 -0.662 1.00 0.00 N ATOM 869 CA GLY A 54 -4.784 -7.245 -1.628 1.00 0.00 C ATOM 870 C GLY A 54 -5.074 -6.834 -3.085 1.00 0.00 C ATOM 871 O GLY A 54 -4.765 -7.587 -4.015 1.00 0.00 O ATOM 0 H GLY A 54 -4.927 -5.763 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.714 -7.167 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.058 -8.290 -1.485 1.00 0.00 H new ATOM 875 N ALA A 55 -5.663 -5.638 -3.276 1.00 0.00 N ATOM 876 CA ALA A 55 -5.983 -5.141 -4.619 1.00 0.00 C ATOM 877 C ALA A 55 -5.837 -3.625 -4.687 1.00 0.00 C ATOM 878 O ALA A 55 -6.172 -2.921 -3.734 1.00 0.00 O ATOM 879 CB ALA A 55 -7.409 -5.542 -5.003 1.00 0.00 C ATOM 0 H ALA A 55 -5.924 -5.005 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.281 -5.588 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.636 -5.168 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.496 -6.628 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.112 -5.116 -4.287 1.00 0.00 H new ATOM 885 N GLU A 56 -5.341 -3.130 -5.827 1.00 0.00 N ATOM 886 CA GLU A 56 -5.143 -1.687 -6.030 1.00 0.00 C ATOM 887 C GLU A 56 -6.432 -1.030 -6.499 1.00 0.00 C ATOM 888 O GLU A 56 -7.268 -1.676 -7.141 1.00 0.00 O ATOM 889 CB GLU A 56 -4.034 -1.422 -7.060 1.00 0.00 C ATOM 890 CG GLU A 56 -2.723 -2.075 -6.605 1.00 0.00 C ATOM 891 CD GLU A 56 -1.646 -1.861 -7.658 1.00 0.00 C ATOM 892 OE1 GLU A 56 -1.320 -0.716 -7.922 1.00 0.00 O ATOM 893 OE2 GLU A 56 -1.164 -2.848 -8.188 1.00 0.00 O ATOM 0 H GLU A 56 -5.069 -3.706 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.846 -1.258 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.328 -1.818 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.891 -0.349 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.404 -1.648 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.876 -3.142 -6.440 1.00 0.00 H new ATOM 900 N VAL A 57 -6.580 0.257 -6.184 1.00 0.00 N ATOM 901 CA VAL A 57 -7.766 1.016 -6.581 1.00 0.00 C ATOM 902 C VAL A 57 -7.719 1.295 -8.094 1.00 0.00 C ATOM 903 O VAL A 57 -6.763 1.891 -8.596 1.00 0.00 O ATOM 904 CB VAL A 57 -7.825 2.343 -5.776 1.00 0.00 C ATOM 905 CG1 VAL A 57 -9.023 3.202 -6.212 1.00 0.00 C ATOM 906 CG2 VAL A 57 -7.954 2.031 -4.282 1.00 0.00 C ATOM 0 H VAL A 57 -5.894 0.795 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.664 0.438 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.907 2.898 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.039 4.125 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.933 3.441 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.947 2.650 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.995 2.963 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.866 1.460 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.093 1.448 -3.956 1.00 0.00 H new ATOM 916 N THR A 58 -8.760 0.844 -8.806 1.00 0.00 N ATOM 917 CA THR A 58 -8.847 1.031 -10.259 1.00 0.00 C ATOM 918 C THR A 58 -10.248 1.476 -10.665 1.00 0.00 C ATOM 919 O THR A 58 -11.211 1.277 -9.916 1.00 0.00 O ATOM 920 CB THR A 58 -8.485 -0.271 -10.995 1.00 0.00 C ATOM 921 OG1 THR A 58 -9.401 -1.292 -10.627 1.00 0.00 O ATOM 922 CG2 THR A 58 -7.057 -0.703 -10.635 1.00 0.00 C ATOM 0 H THR A 58 -9.553 0.348 -8.399 1.00 0.00 H new ATOM 0 HA THR A 58 -8.136 1.808 -10.539 1.00 0.00 H new ATOM 0 HB THR A 58 -8.541 -0.100 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.172 -2.121 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.812 -1.625 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.356 0.079 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.987 -0.870 -9.560 1.00 0.00 H new ATOM 930 N GLY A 59 -10.357 2.054 -11.867 1.00 0.00 N ATOM 931 CA GLY A 59 -11.649 2.501 -12.393 1.00 0.00 C ATOM 932 C GLY A 59 -12.138 1.557 -13.485 1.00 0.00 C ATOM 933 O GLY A 59 -11.386 1.213 -14.401 1.00 0.00 O ATOM 0 H GLY A 59 -9.568 2.222 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.381 2.544 -11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.556 3.511 -12.792 1.00 0.00 H new ATOM 937 N LEU A 60 -13.396 1.124 -13.368 1.00 0.00 N ATOM 938 CA LEU A 60 -13.986 0.196 -14.334 1.00 0.00 C ATOM 939 C LEU A 60 -14.060 0.799 -15.767 1.00 0.00 C ATOM 940 O LEU A 60 -13.683 0.119 -16.725 1.00 0.00 O ATOM 941 CB LEU A 60 -15.390 -0.277 -13.875 1.00 0.00 C ATOM 942 CG LEU A 60 -15.278 -1.298 -12.713 1.00 0.00 C ATOM 943 CD1 LEU A 60 -14.737 -0.623 -11.437 1.00 0.00 C ATOM 944 CD2 LEU A 60 -16.664 -1.886 -12.428 1.00 0.00 C ATOM 0 H LEU A 60 -14.025 1.401 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.323 -0.668 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.980 0.581 -13.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.917 -0.731 -14.714 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.585 -2.087 -13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.668 -1.360 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.748 -0.209 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.412 0.178 -11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.593 -2.605 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.348 -1.085 -12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.038 -2.387 -13.321 1.00 0.00 H new ATOM 956 N PRO A 61 -14.561 2.050 -15.949 1.00 0.00 N ATOM 957 CA PRO A 61 -14.683 2.668 -17.322 1.00 0.00 C ATOM 958 C PRO A 61 -13.342 2.733 -18.058 1.00 0.00 C ATOM 959 O PRO A 61 -13.276 2.466 -19.262 1.00 0.00 O ATOM 960 CB PRO A 61 -15.208 4.081 -17.033 1.00 0.00 C ATOM 961 CG PRO A 61 -15.898 3.964 -15.719 1.00 0.00 C ATOM 962 CD PRO A 61 -15.054 2.995 -14.908 1.00 0.00 C ATOM 0 HA PRO A 61 -15.332 2.083 -17.973 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.394 4.805 -16.990 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.893 4.416 -17.812 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.969 4.933 -15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.916 3.593 -15.841 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -14.234 3.500 -14.397 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -15.641 2.487 -14.143 1.00 0.00 H new ATOM 970 N MET A 62 -12.279 3.091 -17.325 1.00 0.00 N ATOM 971 CA MET A 62 -10.939 3.193 -17.908 1.00 0.00 C ATOM 972 C MET A 62 -9.876 2.684 -16.938 1.00 0.00 C ATOM 973 O MET A 62 -10.012 2.838 -15.721 1.00 0.00 O ATOM 974 CB MET A 62 -10.639 4.642 -18.297 1.00 0.00 C ATOM 975 CG MET A 62 -11.542 5.053 -19.468 1.00 0.00 C ATOM 976 SD MET A 62 -11.039 6.682 -20.088 1.00 0.00 S ATOM 977 CE MET A 62 -11.706 7.678 -18.727 1.00 0.00 C ATOM 0 H MET A 62 -12.323 3.314 -16.331 1.00 0.00 H new ATOM 0 HA MET A 62 -10.913 2.569 -18.802 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.807 5.301 -17.445 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.591 4.745 -18.578 1.00 0.00 H new ATOM 0 HG2 MET A 62 -11.477 4.314 -20.266 1.00 0.00 H new ATOM 0 HG3 MET A 62 -12.582 5.082 -19.144 1.00 0.00 H new ATOM 0 HE1 MET A 62 -11.760 8.723 -19.033 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.704 7.322 -18.471 1.00 0.00 H new ATOM 0 HE3 MET A 62 -11.055 7.588 -17.857 1.00 0.00 H new ATOM 987 N GLU A 63 -8.814 2.091 -17.489 1.00 0.00 N ATOM 988 CA GLU A 63 -7.709 1.560 -16.678 1.00 0.00 C ATOM 989 C GLU A 63 -6.606 2.619 -16.449 1.00 0.00 C ATOM 990 O GLU A 63 -5.440 2.271 -16.254 1.00 0.00 O ATOM 991 CB GLU A 63 -7.121 0.287 -17.344 1.00 0.00 C ATOM 992 CG GLU A 63 -6.388 0.647 -18.663 1.00 0.00 C ATOM 993 CD GLU A 63 -5.977 -0.618 -19.453 1.00 0.00 C ATOM 994 OE1 GLU A 63 -6.320 -1.719 -19.033 1.00 0.00 O ATOM 995 OE2 GLU A 63 -5.322 -0.459 -20.471 1.00 0.00 O ATOM 0 H GLU A 63 -8.693 1.965 -18.494 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.109 1.294 -15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.428 -0.201 -16.659 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.921 -0.425 -17.549 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.036 1.268 -19.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.501 1.239 -18.437 1.00 0.00 H new ATOM 1002 N GLY A 64 -6.977 3.903 -16.540 1.00 0.00 N ATOM 1003 CA GLY A 64 -6.011 4.991 -16.404 1.00 0.00 C ATOM 1004 C GLY A 64 -5.315 4.975 -15.044 1.00 0.00 C ATOM 1005 O GLY A 64 -4.101 5.183 -14.968 1.00 0.00 O ATOM 0 H GLY A 64 -7.936 4.209 -16.707 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.264 4.913 -17.194 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.519 5.946 -16.539 1.00 0.00 H new ATOM 1009 N TYR A 65 -6.088 4.747 -13.971 1.00 0.00 N ATOM 1010 CA TYR A 65 -5.525 4.732 -12.612 1.00 0.00 C ATOM 1011 C TYR A 65 -4.690 3.475 -12.353 1.00 0.00 C ATOM 1012 O TYR A 65 -3.539 3.567 -11.912 1.00 0.00 O ATOM 1013 CB TYR A 65 -6.646 4.820 -11.574 1.00 0.00 C ATOM 1014 CG TYR A 65 -7.275 6.194 -11.615 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -8.377 6.437 -12.443 1.00 0.00 C ATOM 1016 CD2 TYR A 65 -6.758 7.224 -10.819 1.00 0.00 C ATOM 1017 CE1 TYR A 65 -8.961 7.710 -12.477 1.00 0.00 C ATOM 1018 CE2 TYR A 65 -7.341 8.497 -10.853 1.00 0.00 C ATOM 1019 CZ TYR A 65 -8.443 8.739 -11.682 1.00 0.00 C ATOM 1020 OH TYR A 65 -9.019 9.994 -11.716 1.00 0.00 O ATOM 0 H TYR A 65 -7.092 4.573 -14.016 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.869 5.598 -12.524 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.400 4.059 -11.774 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.249 4.621 -10.579 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.777 5.643 -13.056 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.909 7.036 -10.178 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.811 7.897 -13.117 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.941 9.291 -10.240 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.539 10.591 -11.104 1.00 0.00 H new ATOM 1030 N GLY A 66 -5.286 2.303 -12.610 1.00 0.00 N ATOM 1031 CA GLY A 66 -4.604 1.023 -12.383 1.00 0.00 C ATOM 1032 C GLY A 66 -3.383 0.867 -13.282 1.00 0.00 C ATOM 1033 O GLY A 66 -2.316 0.438 -12.830 1.00 0.00 O ATOM 0 H GLY A 66 -6.235 2.215 -12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.298 0.954 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.298 0.203 -12.567 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.555 1.207 -14.560 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.482 1.101 -15.549 1.00 0.00 C ATOM 1039 C GLY A 67 -1.320 2.021 -15.214 1.00 0.00 C ATOM 1040 O GLY A 67 -0.153 1.642 -15.370 1.00 0.00 O ATOM 0 H GLY A 67 -4.435 1.561 -14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.129 0.071 -15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.871 1.350 -16.537 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.645 3.246 -14.778 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.616 4.237 -14.451 1.00 0.00 C ATOM 1046 C ARG A 68 0.294 3.728 -13.328 1.00 0.00 C ATOM 1047 O ARG A 68 1.510 3.801 -13.440 1.00 0.00 O ATOM 1048 CB ARG A 68 -1.271 5.577 -14.050 1.00 0.00 C ATOM 1049 CG ARG A 68 -0.194 6.653 -13.815 1.00 0.00 C ATOM 1050 CD ARG A 68 -0.863 7.975 -13.434 1.00 0.00 C ATOM 1051 NE ARG A 68 -1.690 8.474 -14.553 1.00 0.00 N ATOM 1052 CZ ARG A 68 -3.050 8.400 -14.582 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -3.741 7.846 -13.600 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -3.690 8.894 -15.606 1.00 0.00 N ATOM 0 H ARG A 68 -2.603 3.570 -14.645 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.003 4.399 -15.337 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.955 5.903 -14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.863 5.443 -13.145 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.484 6.336 -13.023 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.406 6.784 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.484 7.834 -12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.104 8.714 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.215 8.898 -15.350 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.256 7.458 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.759 7.806 -13.652 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.172 9.328 -16.370 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.708 8.846 -15.642 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.307 3.203 -12.255 1.00 0.00 N ATOM 1069 CA ALA A 69 0.459 2.686 -11.130 1.00 0.00 C ATOM 1070 C ALA A 69 0.211 1.198 -10.940 1.00 0.00 C ATOM 1071 O ALA A 69 -0.905 0.781 -10.617 1.00 0.00 O ATOM 1072 CB ALA A 69 0.090 3.440 -9.863 1.00 0.00 C ATOM 0 H ALA A 69 -1.319 3.128 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 69 1.518 2.831 -11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.667 3.048 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.312 4.499 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.974 3.314 -9.661 1.00 0.00 H new ATOM 1078 N GLU A 70 1.270 0.405 -11.120 1.00 0.00 N ATOM 1079 CA GLU A 70 1.195 -1.042 -10.949 1.00 0.00 C ATOM 1080 C GLU A 70 2.075 -1.474 -9.781 1.00 0.00 C ATOM 1081 O GLU A 70 3.286 -1.229 -9.783 1.00 0.00 O ATOM 1082 CB GLU A 70 1.645 -1.746 -12.238 1.00 0.00 C ATOM 1083 CG GLU A 70 1.301 -3.247 -12.173 1.00 0.00 C ATOM 1084 CD GLU A 70 2.363 -4.027 -11.380 1.00 0.00 C ATOM 1085 OE1 GLU A 70 3.512 -3.597 -11.358 1.00 0.00 O ATOM 1086 OE2 GLU A 70 2.010 -5.046 -10.813 1.00 0.00 O ATOM 0 H GLU A 70 2.194 0.747 -11.386 1.00 0.00 H new ATOM 0 HA GLU A 70 0.163 -1.322 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.156 -1.291 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.719 -1.617 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.325 -3.379 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.229 -3.650 -13.183 1.00 0.00 H new ATOM 1093 N TRP A 71 1.450 -2.089 -8.774 1.00 0.00 N ATOM 1094 CA TRP A 71 2.166 -2.529 -7.576 1.00 0.00 C ATOM 1095 C TRP A 71 3.058 -3.732 -7.896 1.00 0.00 C ATOM 1096 O TRP A 71 2.580 -4.756 -8.389 1.00 0.00 O ATOM 1097 CB TRP A 71 1.151 -2.887 -6.470 1.00 0.00 C ATOM 1098 CG TRP A 71 1.861 -3.189 -5.185 1.00 0.00 C ATOM 1099 CD1 TRP A 71 2.176 -2.275 -4.241 1.00 0.00 C ATOM 1100 CD2 TRP A 71 2.336 -4.471 -4.686 1.00 0.00 C ATOM 1101 NE1 TRP A 71 2.821 -2.913 -3.199 1.00 0.00 N ATOM 1102 CE2 TRP A 71 2.943 -4.269 -3.427 1.00 0.00 C ATOM 1103 CE3 TRP A 71 2.303 -5.781 -5.204 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 3.497 -5.322 -2.703 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 2.860 -6.846 -4.476 1.00 0.00 C ATOM 1106 CH2 TRP A 71 3.456 -6.615 -3.227 1.00 0.00 C ATOM 0 H TRP A 71 0.451 -2.293 -8.765 1.00 0.00 H new ATOM 0 HA TRP A 71 2.804 -1.718 -7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 71 0.457 -2.059 -6.323 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.559 -3.749 -6.777 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.959 -1.218 -4.293 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.165 -2.440 -2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 71 1.847 -5.967 -6.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.955 -5.139 -1.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.829 -7.847 -4.880 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.883 -7.437 -2.671 1.00 0.00 H new ATOM 1117 N MET A 72 4.352 -3.599 -7.585 1.00 0.00 N ATOM 1118 CA MET A 72 5.316 -4.674 -7.816 1.00 0.00 C ATOM 1119 C MET A 72 6.177 -4.883 -6.566 1.00 0.00 C ATOM 1120 O MET A 72 6.740 -3.927 -6.021 1.00 0.00 O ATOM 1121 CB MET A 72 6.198 -4.336 -9.040 1.00 0.00 C ATOM 1122 CG MET A 72 7.165 -5.495 -9.341 1.00 0.00 C ATOM 1123 SD MET A 72 8.122 -5.115 -10.830 1.00 0.00 S ATOM 1124 CE MET A 72 9.164 -3.823 -10.111 1.00 0.00 C ATOM 0 H MET A 72 4.753 -2.757 -7.173 1.00 0.00 H new ATOM 0 HA MET A 72 4.780 -5.600 -8.022 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.568 -4.145 -9.909 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.762 -3.423 -8.849 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.835 -5.652 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.607 -6.421 -9.481 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.206 -4.007 -10.374 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.858 -2.851 -10.499 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.057 -3.831 -9.026 1.00 0.00 H new ATOM 1134 N GLU A 73 6.259 -6.139 -6.117 1.00 0.00 N ATOM 1135 CA GLU A 73 7.032 -6.486 -4.926 1.00 0.00 C ATOM 1136 C GLU A 73 8.529 -6.305 -5.180 1.00 0.00 C ATOM 1137 O GLU A 73 9.029 -6.629 -6.262 1.00 0.00 O ATOM 1138 CB GLU A 73 6.734 -7.930 -4.500 1.00 0.00 C ATOM 1139 CG GLU A 73 7.378 -8.216 -3.125 1.00 0.00 C ATOM 1140 CD GLU A 73 7.020 -9.631 -2.611 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.384 -10.387 -3.340 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.388 -9.931 -1.487 1.00 0.00 O ATOM 0 H GLU A 73 5.798 -6.932 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 73 6.738 -5.815 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.657 -8.088 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.121 -8.625 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.461 -8.120 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.043 -7.471 -2.404 1.00 0.00 H new ATOM 1149 N ASP A 74 9.230 -5.775 -4.174 1.00 0.00 N ATOM 1150 CA ASP A 74 10.668 -5.529 -4.272 1.00 0.00 C ATOM 1151 C ASP A 74 11.431 -6.828 -4.504 1.00 0.00 C ATOM 1152 O ASP A 74 10.955 -7.912 -4.153 1.00 0.00 O ATOM 1153 CB ASP A 74 11.176 -4.851 -2.998 1.00 0.00 C ATOM 1154 CG ASP A 74 10.505 -3.493 -2.822 1.00 0.00 C ATOM 1155 OD1 ASP A 74 9.473 -3.443 -2.174 1.00 0.00 O ATOM 1156 OD2 ASP A 74 11.036 -2.521 -3.335 1.00 0.00 O ATOM 0 H ASP A 74 8.821 -5.507 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 74 10.840 -4.871 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.969 -5.482 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.258 -4.727 -3.050 1.00 0.00 H new ATOM 1161 N SER A 75 12.616 -6.705 -5.111 1.00 0.00 N ATOM 1162 CA SER A 75 13.461 -7.862 -5.411 1.00 0.00 C ATOM 1163 C SER A 75 13.833 -8.609 -4.132 1.00 0.00 C ATOM 1164 O SER A 75 13.874 -9.841 -4.116 1.00 0.00 O ATOM 1165 CB SER A 75 14.730 -7.413 -6.136 1.00 0.00 C ATOM 1166 OG SER A 75 15.537 -8.548 -6.420 1.00 0.00 O ATOM 0 H SER A 75 13.011 -5.812 -5.404 1.00 0.00 H new ATOM 0 HA SER A 75 12.898 -8.537 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.471 -6.897 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.283 -6.705 -5.519 1.00 0.00 H new ATOM 0 HG SER A 75 16.350 -8.263 -6.886 1.00 0.00 H new ATOM 1172 N THR A 76 14.100 -7.853 -3.063 1.00 0.00 N ATOM 1173 CA THR A 76 14.459 -8.435 -1.768 1.00 0.00 C ATOM 1174 C THR A 76 13.286 -9.275 -1.215 1.00 0.00 C ATOM 1175 O THR A 76 13.497 -10.320 -0.600 1.00 0.00 O ATOM 1176 CB THR A 76 14.839 -7.307 -0.780 1.00 0.00 C ATOM 1177 OG1 THR A 76 15.923 -6.561 -1.322 1.00 0.00 O ATOM 1178 CG2 THR A 76 15.273 -7.900 0.572 1.00 0.00 C ATOM 0 H THR A 76 14.074 -6.833 -3.070 1.00 0.00 H new ATOM 0 HA THR A 76 15.317 -9.095 -1.895 1.00 0.00 H new ATOM 0 HB THR A 76 13.971 -6.665 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.168 -5.843 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 76 15.537 -7.093 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.453 -8.480 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.137 -8.548 0.425 1.00 0.00 H new ATOM 1186 N GLU A 77 12.061 -8.784 -1.433 1.00 0.00 N ATOM 1187 CA GLU A 77 10.837 -9.451 -0.966 1.00 0.00 C ATOM 1188 C GLU A 77 10.902 -9.835 0.524 1.00 0.00 C ATOM 1189 O GLU A 77 10.323 -10.847 0.939 1.00 0.00 O ATOM 1190 CB GLU A 77 10.467 -10.674 -1.870 1.00 0.00 C ATOM 1191 CG GLU A 77 11.384 -11.899 -1.608 1.00 0.00 C ATOM 1192 CD GLU A 77 12.515 -11.948 -2.634 1.00 0.00 C ATOM 1193 OE1 GLU A 77 12.244 -11.703 -3.800 1.00 0.00 O ATOM 1194 OE2 GLU A 77 13.634 -12.231 -2.239 1.00 0.00 O ATOM 0 H GLU A 77 11.889 -7.914 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 77 10.031 -8.723 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.429 -10.955 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.542 -10.384 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.800 -11.841 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.798 -12.817 -1.659 1.00 0.00 H new ATOM 1201 N GLU A 78 11.565 -8.992 1.324 1.00 0.00 N ATOM 1202 CA GLU A 78 11.658 -9.214 2.770 1.00 0.00 C ATOM 1203 C GLU A 78 10.653 -8.305 3.500 1.00 0.00 C ATOM 1204 O GLU A 78 11.016 -7.511 4.383 1.00 0.00 O ATOM 1205 CB GLU A 78 13.097 -8.954 3.255 1.00 0.00 C ATOM 1206 CG GLU A 78 13.253 -9.448 4.696 1.00 0.00 C ATOM 1207 CD GLU A 78 14.699 -9.278 5.154 1.00 0.00 C ATOM 1208 OE1 GLU A 78 15.158 -8.149 5.186 1.00 0.00 O ATOM 1209 OE2 GLU A 78 15.324 -10.280 5.465 1.00 0.00 O ATOM 0 H GLU A 78 12.043 -8.153 0.995 1.00 0.00 H new ATOM 0 HA GLU A 78 11.410 -10.251 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.808 -9.466 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.323 -7.889 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.587 -8.890 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.963 -10.497 4.763 1.00 0.00 H new ATOM 1216 N GLY A 79 9.386 -8.408 3.087 1.00 0.00 N ATOM 1217 CA GLY A 79 8.310 -7.585 3.653 1.00 0.00 C ATOM 1218 C GLY A 79 8.272 -6.175 3.021 1.00 0.00 C ATOM 1219 O GLY A 79 7.434 -5.348 3.392 1.00 0.00 O ATOM 0 H GLY A 79 9.079 -9.055 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.352 -8.080 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.449 -7.497 4.731 1.00 0.00 H new ATOM 1223 N SER A 80 9.178 -5.910 2.062 1.00 0.00 N ATOM 1224 CA SER A 80 9.239 -4.611 1.408 1.00 0.00 C ATOM 1225 C SER A 80 8.201 -4.523 0.306 1.00 0.00 C ATOM 1226 O SER A 80 7.942 -5.508 -0.393 1.00 0.00 O ATOM 1227 CB SER A 80 10.632 -4.387 0.819 1.00 0.00 C ATOM 1228 OG SER A 80 11.599 -4.452 1.857 1.00 0.00 O ATOM 0 H SER A 80 9.871 -6.582 1.731 1.00 0.00 H new ATOM 0 HA SER A 80 9.032 -3.840 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.844 -5.141 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.678 -3.417 0.324 1.00 0.00 H new ATOM 0 HG SER A 80 12.493 -4.310 1.481 1.00 0.00 H new ATOM 1234 N VAL A 81 7.617 -3.331 0.143 1.00 0.00 N ATOM 1235 CA VAL A 81 6.609 -3.106 -0.894 1.00 0.00 C ATOM 1236 C VAL A 81 7.037 -1.965 -1.805 1.00 0.00 C ATOM 1237 O VAL A 81 7.757 -1.056 -1.376 1.00 0.00 O ATOM 1238 CB VAL A 81 5.231 -2.801 -0.261 1.00 0.00 C ATOM 1239 CG1 VAL A 81 4.760 -4.010 0.549 1.00 0.00 C ATOM 1240 CG2 VAL A 81 5.326 -1.577 0.669 1.00 0.00 C ATOM 0 H VAL A 81 7.825 -2.512 0.714 1.00 0.00 H new ATOM 0 HA VAL A 81 6.518 -4.015 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 81 4.520 -2.588 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.789 -3.794 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.673 -4.876 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.482 -4.223 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.348 -1.376 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.044 -1.779 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.653 -0.709 0.096 1.00 0.00 H new ATOM 1250 N ALA A 82 6.614 -2.033 -3.072 1.00 0.00 N ATOM 1251 CA ALA A 82 6.980 -1.016 -4.052 1.00 0.00 C ATOM 1252 C ALA A 82 5.875 -0.814 -5.082 1.00 0.00 C ATOM 1253 O ALA A 82 5.145 -1.751 -5.420 1.00 0.00 O ATOM 1254 CB ALA A 82 8.277 -1.410 -4.760 1.00 0.00 C ATOM 0 H ALA A 82 6.022 -2.779 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 82 7.126 -0.077 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.541 -0.644 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.078 -1.504 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.138 -2.363 -5.270 1.00 0.00 H new ATOM 1260 N LEU A 83 5.767 0.420 -5.579 1.00 0.00 N ATOM 1261 CA LEU A 83 4.768 0.776 -6.579 1.00 0.00 C ATOM 1262 C LEU A 83 5.448 1.366 -7.814 1.00 0.00 C ATOM 1263 O LEU A 83 6.167 2.368 -7.717 1.00 0.00 O ATOM 1264 CB LEU A 83 3.772 1.802 -5.983 1.00 0.00 C ATOM 1265 CG LEU A 83 2.671 2.185 -7.011 1.00 0.00 C ATOM 1266 CD1 LEU A 83 1.769 0.972 -7.311 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.822 3.332 -6.442 1.00 0.00 C ATOM 0 H LEU A 83 6.368 1.195 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 83 4.224 -0.122 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.308 1.385 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.311 2.698 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 83 3.147 2.503 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.003 1.257 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.372 0.163 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.292 0.636 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.049 3.603 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.356 3.012 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.459 4.196 -6.251 1.00 0.00 H new ATOM 1279 N LYS A 84 5.175 0.770 -8.975 1.00 0.00 N ATOM 1280 CA LYS A 84 5.714 1.268 -10.235 1.00 0.00 C ATOM 1281 C LYS A 84 4.739 2.290 -10.823 1.00 0.00 C ATOM 1282 O LYS A 84 3.599 1.950 -11.132 1.00 0.00 O ATOM 1283 CB LYS A 84 5.915 0.095 -11.212 1.00 0.00 C ATOM 1284 CG LYS A 84 6.598 0.585 -12.504 1.00 0.00 C ATOM 1285 CD LYS A 84 6.849 -0.604 -13.454 1.00 0.00 C ATOM 1286 CE LYS A 84 5.521 -1.078 -14.068 1.00 0.00 C ATOM 1287 NZ LYS A 84 5.784 -2.178 -15.039 1.00 0.00 N ATOM 0 H LYS A 84 4.585 -0.057 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 84 6.678 1.747 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.523 -0.678 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.952 -0.357 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.971 1.328 -12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.542 1.074 -12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.539 -0.309 -14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.319 -1.422 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.849 -1.425 -13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.024 -0.248 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.885 -2.498 -15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.410 -1.832 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.241 -2.973 -14.548 1.00 0.00 H new ATOM 1301 N ILE A 85 5.193 3.548 -10.953 1.00 0.00 N ATOM 1302 CA ILE A 85 4.339 4.624 -11.476 1.00 0.00 C ATOM 1303 C ILE A 85 4.790 5.041 -12.873 1.00 0.00 C ATOM 1304 O ILE A 85 5.979 5.112 -13.155 1.00 0.00 O ATOM 1305 CB ILE A 85 4.324 5.824 -10.495 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.357 6.921 -10.996 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.731 6.409 -10.346 1.00 0.00 C ATOM 1308 CD1 ILE A 85 1.904 6.464 -10.803 1.00 0.00 C ATOM 0 H ILE A 85 6.138 3.842 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 85 3.318 4.252 -11.562 1.00 0.00 H new ATOM 0 HB ILE A 85 3.982 5.465 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.531 7.848 -10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.545 7.130 -12.049 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.704 7.251 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.404 5.644 -9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.088 6.750 -11.318 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.228 7.242 -11.158 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.733 5.548 -11.368 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.719 6.277 -9.745 1.00 0.00 H new ATOM 1320 N ARG A 86 3.812 5.205 -13.754 1.00 0.00 N ATOM 1321 CA ARG A 86 4.051 5.483 -15.161 1.00 0.00 C ATOM 1322 C ARG A 86 4.192 6.987 -15.442 1.00 0.00 C ATOM 1323 O ARG A 86 3.397 7.799 -14.964 1.00 0.00 O ATOM 1324 CB ARG A 86 2.876 4.914 -15.978 1.00 0.00 C ATOM 1325 CG ARG A 86 3.326 4.540 -17.394 1.00 0.00 C ATOM 1326 CD ARG A 86 4.038 3.182 -17.361 1.00 0.00 C ATOM 1327 NE ARG A 86 4.475 2.794 -18.716 1.00 0.00 N ATOM 1328 CZ ARG A 86 3.656 2.188 -19.616 1.00 0.00 C ATOM 1329 NH1 ARG A 86 2.401 1.902 -19.322 1.00 0.00 N ATOM 1330 NH2 ARG A 86 4.121 1.882 -20.796 1.00 0.00 N ATOM 0 H ARG A 86 2.824 5.148 -13.509 1.00 0.00 H new ATOM 0 HA ARG A 86 4.992 5.012 -15.447 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.471 4.035 -15.477 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.073 5.650 -16.029 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.465 4.495 -18.061 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.996 5.304 -17.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.900 3.233 -16.695 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.368 2.423 -16.958 1.00 0.00 H new ATOM 0 HE ARG A 86 5.438 2.990 -18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.026 2.136 -18.403 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.806 1.447 -20.014 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.089 2.098 -21.034 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.517 1.427 -21.480 1.00 0.00 H new ATOM 1344 N GLN A 87 5.154 7.322 -16.304 1.00 0.00 N ATOM 1345 CA GLN A 87 5.365 8.704 -16.771 1.00 0.00 C ATOM 1346 C GLN A 87 5.637 9.692 -15.612 1.00 0.00 C ATOM 1347 O GLN A 87 4.939 10.709 -15.461 1.00 0.00 O ATOM 1348 CB GLN A 87 4.151 9.177 -17.627 1.00 0.00 C ATOM 1349 CG GLN A 87 3.868 8.182 -18.787 1.00 0.00 C ATOM 1350 CD GLN A 87 5.120 7.946 -19.640 1.00 0.00 C ATOM 1351 OE1 GLN A 87 5.661 8.884 -20.226 1.00 0.00 O ATOM 1352 NE2 GLN A 87 5.618 6.739 -19.720 1.00 0.00 N ATOM 0 H GLN A 87 5.810 6.649 -16.700 1.00 0.00 H new ATOM 0 HA GLN A 87 6.261 8.699 -17.392 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.268 9.265 -16.995 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.352 10.168 -18.034 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.521 7.233 -18.378 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.066 8.571 -19.415 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.164 5.967 -19.232 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.460 6.570 -20.271 1.00 0.00 H new ATOM 1361 N VAL A 88 6.673 9.398 -14.814 1.00 0.00 N ATOM 1362 CA VAL A 88 7.057 10.269 -13.697 1.00 0.00 C ATOM 1363 C VAL A 88 7.280 11.718 -14.179 1.00 0.00 C ATOM 1364 O VAL A 88 7.589 11.946 -15.354 1.00 0.00 O ATOM 1365 CB VAL A 88 8.319 9.708 -12.984 1.00 0.00 C ATOM 1366 CG1 VAL A 88 9.604 9.915 -13.840 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.477 10.396 -11.620 1.00 0.00 C ATOM 0 H VAL A 88 7.257 8.568 -14.921 1.00 0.00 H new ATOM 0 HA VAL A 88 6.241 10.287 -12.975 1.00 0.00 H new ATOM 0 HB VAL A 88 8.187 8.635 -12.847 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.465 9.510 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.492 9.400 -14.794 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.755 10.980 -14.017 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.361 10.006 -11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.587 11.471 -11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.595 10.201 -11.010 1.00 0.00 H new ATOM 1377 N GLN A 89 7.092 12.684 -13.270 1.00 0.00 N ATOM 1378 CA GLN A 89 7.247 14.116 -13.614 1.00 0.00 C ATOM 1379 C GLN A 89 7.694 14.988 -12.395 1.00 0.00 C ATOM 1380 O GLN A 89 7.717 14.501 -11.250 1.00 0.00 O ATOM 1381 CB GLN A 89 5.972 14.723 -14.332 1.00 0.00 C ATOM 1382 CG GLN A 89 4.663 13.953 -14.011 1.00 0.00 C ATOM 1383 CD GLN A 89 4.129 14.355 -12.650 1.00 0.00 C ATOM 1384 OE1 GLN A 89 3.159 15.106 -12.563 1.00 0.00 O ATOM 1385 NE2 GLN A 89 4.720 13.919 -11.581 1.00 0.00 N ATOM 0 H GLN A 89 6.835 12.509 -12.299 1.00 0.00 H new ATOM 0 HA GLN A 89 8.059 14.150 -14.341 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.856 15.764 -14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.134 14.718 -15.410 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.916 14.160 -14.777 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.851 12.880 -14.031 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.524 13.296 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.381 14.199 -10.661 1.00 0.00 H new ATOM 1394 N PRO A 90 8.106 16.266 -12.624 1.00 0.00 N ATOM 1395 CA PRO A 90 8.608 17.163 -11.524 1.00 0.00 C ATOM 1396 C PRO A 90 7.667 17.215 -10.325 1.00 0.00 C ATOM 1397 O PRO A 90 8.124 17.301 -9.181 1.00 0.00 O ATOM 1398 CB PRO A 90 8.703 18.531 -12.199 1.00 0.00 C ATOM 1399 CG PRO A 90 8.977 18.218 -13.627 1.00 0.00 C ATOM 1400 CD PRO A 90 8.144 16.983 -13.939 1.00 0.00 C ATOM 0 HA PRO A 90 9.553 16.808 -11.113 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.777 19.095 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.500 19.135 -11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.700 19.052 -14.272 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.038 18.028 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.144 17.246 -14.285 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.601 16.374 -14.719 1.00 0.00 H new ATOM 1408 N SER A 91 6.356 17.146 -10.586 1.00 0.00 N ATOM 1409 CA SER A 91 5.367 17.168 -9.503 1.00 0.00 C ATOM 1410 C SER A 91 5.588 15.978 -8.565 1.00 0.00 C ATOM 1411 O SER A 91 5.439 16.105 -7.345 1.00 0.00 O ATOM 1412 CB SER A 91 3.951 17.125 -10.072 1.00 0.00 C ATOM 1413 OG SER A 91 3.707 18.311 -10.818 1.00 0.00 O ATOM 0 H SER A 91 5.960 17.075 -11.523 1.00 0.00 H new ATOM 0 HA SER A 91 5.490 18.094 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.830 16.249 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.225 17.034 -9.264 1.00 0.00 H new ATOM 0 HG SER A 91 2.799 18.285 -11.186 1.00 0.00 H new ATOM 1419 N ASP A 92 6.004 14.841 -9.143 1.00 0.00 N ATOM 1420 CA ASP A 92 6.320 13.643 -8.365 1.00 0.00 C ATOM 1421 C ASP A 92 7.538 13.888 -7.477 1.00 0.00 C ATOM 1422 O ASP A 92 7.613 13.381 -6.355 1.00 0.00 O ATOM 1423 CB ASP A 92 6.577 12.444 -9.300 1.00 0.00 C ATOM 1424 CG ASP A 92 6.683 11.121 -8.507 1.00 0.00 C ATOM 1425 OD1 ASP A 92 6.973 11.166 -7.317 1.00 0.00 O ATOM 1426 OD2 ASP A 92 6.468 10.083 -9.110 1.00 0.00 O ATOM 0 H ASP A 92 6.128 14.730 -10.149 1.00 0.00 H new ATOM 0 HA ASP A 92 5.465 13.413 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.770 12.369 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.497 12.609 -9.860 1.00 0.00 H new ATOM 1431 N ASP A 93 8.498 14.674 -7.995 1.00 0.00 N ATOM 1432 CA ASP A 93 9.732 14.987 -7.254 1.00 0.00 C ATOM 1433 C ASP A 93 9.406 15.443 -5.830 1.00 0.00 C ATOM 1434 O ASP A 93 8.582 16.340 -5.628 1.00 0.00 O ATOM 1435 CB ASP A 93 10.506 16.103 -7.974 1.00 0.00 C ATOM 1436 CG ASP A 93 11.930 16.259 -7.400 1.00 0.00 C ATOM 1437 OD1 ASP A 93 12.160 15.848 -6.267 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.770 16.788 -8.110 1.00 0.00 O ATOM 0 H ASP A 93 8.444 15.102 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 93 10.341 14.084 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.564 15.879 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.967 17.045 -7.875 1.00 0.00 H new ATOM 1443 N GLY A 94 10.053 14.804 -4.848 1.00 0.00 N ATOM 1444 CA GLY A 94 9.828 15.123 -3.438 1.00 0.00 C ATOM 1445 C GLY A 94 9.886 13.864 -2.579 1.00 0.00 C ATOM 1446 O GLY A 94 10.534 12.880 -2.946 1.00 0.00 O ATOM 0 H GLY A 94 10.736 14.063 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.580 15.835 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.857 15.604 -3.320 1.00 0.00 H new ATOM 1450 N GLN A 95 9.211 13.909 -1.427 1.00 0.00 N ATOM 1451 CA GLN A 95 9.180 12.772 -0.503 1.00 0.00 C ATOM 1452 C GLN A 95 7.772 12.192 -0.407 1.00 0.00 C ATOM 1453 O GLN A 95 6.780 12.931 -0.499 1.00 0.00 O ATOM 1454 CB GLN A 95 9.662 13.202 0.895 1.00 0.00 C ATOM 1455 CG GLN A 95 11.118 13.690 0.824 1.00 0.00 C ATOM 1456 CD GLN A 95 11.175 15.112 0.273 1.00 0.00 C ATOM 1457 OE1 GLN A 95 10.407 15.973 0.698 1.00 0.00 O ATOM 1458 NE2 GLN A 95 12.043 15.407 -0.655 1.00 0.00 N ATOM 0 H GLN A 95 8.679 14.720 -1.112 1.00 0.00 H new ATOM 0 HA GLN A 95 9.850 12.004 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.022 13.996 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.584 12.365 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.568 13.659 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.701 13.023 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.679 14.690 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.086 16.354 -1.030 1.00 0.00 H new ATOM 1467 N TYR A 96 7.683 10.863 -0.191 1.00 0.00 N ATOM 1468 CA TYR A 96 6.382 10.201 -0.038 1.00 0.00 C ATOM 1469 C TYR A 96 6.315 9.482 1.314 1.00 0.00 C ATOM 1470 O TYR A 96 7.303 8.897 1.752 1.00 0.00 O ATOM 1471 CB TYR A 96 6.089 9.218 -1.255 1.00 0.00 C ATOM 1472 CG TYR A 96 6.447 7.758 -0.953 1.00 0.00 C ATOM 1473 CD1 TYR A 96 5.553 6.978 -0.206 1.00 0.00 C ATOM 1474 CD2 TYR A 96 7.642 7.199 -1.417 1.00 0.00 C ATOM 1475 CE1 TYR A 96 5.850 5.652 0.079 1.00 0.00 C ATOM 1476 CE2 TYR A 96 7.938 5.862 -1.129 1.00 0.00 C ATOM 1477 CZ TYR A 96 7.038 5.091 -0.380 1.00 0.00 C ATOM 1478 OH TYR A 96 7.321 3.782 -0.097 1.00 0.00 O ATOM 0 H TYR A 96 8.487 10.240 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 96 5.598 10.958 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.033 9.279 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.653 9.551 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.629 7.410 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.333 7.796 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.159 5.056 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.859 5.424 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 96 6.556 3.373 0.359 1.00 0.00 H new ATOM 1488 N TRP A 97 5.133 9.487 1.925 1.00 0.00 N ATOM 1489 CA TRP A 97 4.922 8.799 3.189 1.00 0.00 C ATOM 1490 C TRP A 97 4.258 7.449 2.954 1.00 0.00 C ATOM 1491 O TRP A 97 3.126 7.384 2.461 1.00 0.00 O ATOM 1492 CB TRP A 97 4.041 9.648 4.112 1.00 0.00 C ATOM 1493 CG TRP A 97 4.758 10.906 4.487 1.00 0.00 C ATOM 1494 CD1 TRP A 97 5.557 11.052 5.568 1.00 0.00 C ATOM 1495 CD2 TRP A 97 4.753 12.194 3.807 1.00 0.00 C ATOM 1496 NE1 TRP A 97 6.039 12.348 5.595 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.572 13.089 4.528 1.00 0.00 C ATOM 1498 CE3 TRP A 97 4.119 12.667 2.641 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 5.759 14.406 4.115 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 4.307 13.997 2.220 1.00 0.00 C ATOM 1501 CH2 TRP A 97 5.127 14.863 2.958 1.00 0.00 C ATOM 0 H TRP A 97 4.307 9.962 1.562 1.00 0.00 H new ATOM 0 HA TRP A 97 5.892 8.642 3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.103 9.889 3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.788 9.082 5.009 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.782 10.283 6.292 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.663 12.712 6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.486 12.006 2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.390 15.070 4.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.818 14.352 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.269 15.882 2.631 1.00 0.00 H new ATOM 1512 N CYS A 98 4.942 6.375 3.368 1.00 0.00 N ATOM 1513 CA CYS A 98 4.387 5.025 3.264 1.00 0.00 C ATOM 1514 C CYS A 98 3.553 4.775 4.497 1.00 0.00 C ATOM 1515 O CYS A 98 4.095 4.743 5.591 1.00 0.00 O ATOM 1516 CB CYS A 98 5.529 3.990 3.205 1.00 0.00 C ATOM 1517 SG CYS A 98 4.844 2.327 2.975 1.00 0.00 S ATOM 0 H CYS A 98 5.876 6.417 3.776 1.00 0.00 H new ATOM 0 HA CYS A 98 3.784 4.934 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.207 4.230 2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.114 4.028 4.124 1.00 0.00 H new ATOM 1522 N ARG A 99 2.218 4.678 4.334 1.00 0.00 N ATOM 1523 CA ARG A 99 1.325 4.522 5.486 1.00 0.00 C ATOM 1524 C ARG A 99 0.573 3.198 5.439 1.00 0.00 C ATOM 1525 O ARG A 99 -0.213 2.961 4.537 1.00 0.00 O ATOM 1526 CB ARG A 99 0.343 5.707 5.527 1.00 0.00 C ATOM 1527 CG ARG A 99 -0.491 5.675 6.821 1.00 0.00 C ATOM 1528 CD ARG A 99 -1.090 7.065 7.081 1.00 0.00 C ATOM 1529 NE ARG A 99 -1.999 7.468 5.992 1.00 0.00 N ATOM 1530 CZ ARG A 99 -2.501 8.726 5.882 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -2.187 9.668 6.753 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -3.313 9.009 4.900 1.00 0.00 N ATOM 0 H ARG A 99 1.747 4.705 3.430 1.00 0.00 H new ATOM 0 HA ARG A 99 1.926 4.514 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.894 6.645 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.318 5.669 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.287 4.935 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.134 5.374 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.632 7.059 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.288 7.797 7.178 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.262 6.774 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.556 9.458 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.575 10.606 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.566 8.289 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.695 9.950 4.809 1.00 0.00 H new ATOM 1546 N PHE A 100 0.801 2.367 6.459 1.00 0.00 N ATOM 1547 CA PHE A 100 0.137 1.066 6.591 1.00 0.00 C ATOM 1548 C PHE A 100 -1.070 1.207 7.530 1.00 0.00 C ATOM 1549 O PHE A 100 -0.919 1.641 8.673 1.00 0.00 O ATOM 1550 CB PHE A 100 1.153 0.053 7.168 1.00 0.00 C ATOM 1551 CG PHE A 100 0.530 -1.318 7.342 1.00 0.00 C ATOM 1552 CD1 PHE A 100 0.495 -2.219 6.273 1.00 0.00 C ATOM 1553 CD2 PHE A 100 -0.005 -1.682 8.582 1.00 0.00 C ATOM 1554 CE1 PHE A 100 -0.075 -3.487 6.449 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.574 -2.942 8.755 1.00 0.00 C ATOM 1556 CZ PHE A 100 -0.609 -3.845 7.695 1.00 0.00 C ATOM 0 H PHE A 100 1.451 2.576 7.217 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.214 0.715 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.014 -0.019 6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.521 0.412 8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.906 -1.938 5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.023 -0.985 9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.103 -4.187 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.989 -3.219 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.048 -4.822 7.833 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.263 0.838 7.031 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.496 0.943 7.816 1.00 0.00 C ATOM 1568 C GLN A 101 -4.108 -0.442 8.047 1.00 0.00 C ATOM 1569 O GLN A 101 -4.433 -1.165 7.095 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.498 1.884 7.091 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.818 2.008 7.881 1.00 0.00 C ATOM 1572 CD GLN A 101 -5.590 2.738 9.198 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -5.141 3.886 9.202 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -5.874 2.140 10.323 1.00 0.00 N ATOM 0 H GLN A 101 -2.395 0.466 6.090 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.263 1.368 8.792 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -4.051 2.870 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.704 1.500 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.556 2.545 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.226 1.016 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.245 1.190 10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -5.725 2.623 11.209 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.270 -0.784 9.324 1.00 0.00 N ATOM 1584 CA GLU A 102 -4.856 -2.057 9.731 1.00 0.00 C ATOM 1585 C GLU A 102 -5.584 -1.873 11.065 1.00 0.00 C ATOM 1586 O GLU A 102 -5.039 -1.264 11.994 1.00 0.00 O ATOM 1587 CB GLU A 102 -3.754 -3.126 9.861 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.370 -4.497 10.228 1.00 0.00 C ATOM 1589 CD GLU A 102 -5.309 -5.010 9.114 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -5.169 -4.572 7.977 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -6.152 -5.836 9.421 1.00 0.00 O ATOM 0 H GLU A 102 -3.998 -0.186 10.104 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.570 -2.390 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.205 -3.207 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.037 -2.827 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.574 -5.222 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.925 -4.410 11.162 1.00 0.00 H new ATOM 1598 N GLY A 103 -6.823 -2.373 11.143 1.00 0.00 N ATOM 1599 CA GLY A 103 -7.628 -2.228 12.357 1.00 0.00 C ATOM 1600 C GLY A 103 -7.823 -0.750 12.686 1.00 0.00 C ATOM 1601 O GLY A 103 -8.191 0.042 11.813 1.00 0.00 O ATOM 0 H GLY A 103 -7.285 -2.877 10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.597 -2.708 12.219 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.138 -2.732 13.190 1.00 0.00 H new ATOM 1605 N ASP A 104 -7.556 -0.381 13.945 1.00 0.00 N ATOM 1606 CA ASP A 104 -7.685 1.020 14.386 1.00 0.00 C ATOM 1607 C ASP A 104 -6.306 1.693 14.586 1.00 0.00 C ATOM 1608 O ASP A 104 -6.223 2.780 15.165 1.00 0.00 O ATOM 1609 CB ASP A 104 -8.490 1.089 15.694 1.00 0.00 C ATOM 1610 CG ASP A 104 -9.183 2.454 15.846 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -8.635 3.444 15.380 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -10.256 2.485 16.426 1.00 0.00 O ATOM 0 H ASP A 104 -7.251 -1.026 14.674 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.210 1.563 13.600 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.237 0.295 15.707 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.827 0.918 16.542 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.232 1.041 14.098 1.00 0.00 N ATOM 1618 CA TYR A 105 -3.872 1.583 14.224 1.00 0.00 C ATOM 1619 C TYR A 105 -3.160 1.626 12.880 1.00 0.00 C ATOM 1620 O TYR A 105 -3.295 0.706 12.067 1.00 0.00 O ATOM 1621 CB TYR A 105 -3.048 0.741 15.201 1.00 0.00 C ATOM 1622 CG TYR A 105 -3.626 0.851 16.587 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -4.626 -0.032 17.003 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -3.152 1.835 17.461 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -5.154 0.068 18.295 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -3.678 1.938 18.750 1.00 0.00 C ATOM 1627 CZ TYR A 105 -4.680 1.055 19.170 1.00 0.00 C ATOM 1628 OH TYR A 105 -5.201 1.155 20.443 1.00 0.00 O ATOM 0 H TYR A 105 -5.283 0.143 13.616 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.964 2.601 14.602 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -3.043 -0.301 14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -2.012 1.079 15.202 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.991 -0.791 16.328 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.378 2.516 17.138 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.926 -0.615 18.618 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.312 2.699 19.423 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.762 1.890 20.919 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.351 2.675 12.682 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.553 2.814 11.468 1.00 0.00 C ATOM 1640 C TRP A 106 -0.241 3.536 11.770 1.00 0.00 C ATOM 1641 O TRP A 106 -0.131 4.252 12.772 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.353 3.550 10.360 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.672 4.956 10.768 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -1.967 6.043 10.383 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -3.738 5.440 11.632 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.542 7.170 10.950 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.637 6.846 11.732 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -4.777 4.799 12.332 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.533 7.593 12.496 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -5.681 5.548 13.104 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -5.559 6.943 13.186 1.00 0.00 C ATOM 0 H TRP A 106 -2.235 3.437 13.350 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.315 1.817 11.098 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.776 3.559 9.435 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.277 3.009 10.154 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.099 6.035 9.740 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.200 8.121 10.808 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.880 3.725 12.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.434 8.667 12.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.475 5.046 13.638 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.257 7.513 13.781 1.00 0.00 H new ATOM 1662 N ARG A 107 0.737 3.343 10.897 1.00 0.00 N ATOM 1663 CA ARG A 107 2.050 3.970 11.048 1.00 0.00 C ATOM 1664 C ARG A 107 2.608 4.355 9.689 1.00 0.00 C ATOM 1665 O ARG A 107 2.337 3.680 8.689 1.00 0.00 O ATOM 1666 CB ARG A 107 3.013 3.012 11.783 1.00 0.00 C ATOM 1667 CG ARG A 107 3.030 3.314 13.299 1.00 0.00 C ATOM 1668 CD ARG A 107 3.885 4.558 13.556 1.00 0.00 C ATOM 1669 NE ARG A 107 5.293 4.291 13.189 1.00 0.00 N ATOM 1670 CZ ARG A 107 6.242 5.260 13.122 1.00 0.00 C ATOM 1671 NH1 ARG A 107 5.956 6.520 13.387 1.00 0.00 N ATOM 1672 NH2 ARG A 107 7.460 4.940 12.784 1.00 0.00 N ATOM 0 H ARG A 107 0.648 2.753 10.069 1.00 0.00 H new ATOM 0 HA ARG A 107 1.944 4.877 11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.705 1.980 11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.019 3.115 11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.015 3.475 13.661 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.432 2.462 13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.503 5.398 12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.822 4.841 14.607 1.00 0.00 H new ATOM 0 HE ARG A 107 5.565 3.331 12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.006 6.783 13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.685 7.231 13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.692 3.970 12.573 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.180 5.660 12.731 1.00 0.00 H new ATOM 1686 N GLU A 108 3.367 5.468 9.645 1.00 0.00 N ATOM 1687 CA GLU A 108 3.920 5.945 8.375 1.00 0.00 C ATOM 1688 C GLU A 108 5.264 6.653 8.534 1.00 0.00 C ATOM 1689 O GLU A 108 5.522 7.317 9.541 1.00 0.00 O ATOM 1690 CB GLU A 108 2.916 6.874 7.665 1.00 0.00 C ATOM 1691 CG GLU A 108 2.571 8.083 8.568 1.00 0.00 C ATOM 1692 CD GLU A 108 3.634 9.179 8.438 1.00 0.00 C ATOM 1693 OE1 GLU A 108 4.155 9.356 7.347 1.00 0.00 O ATOM 1694 OE2 GLU A 108 3.908 9.827 9.435 1.00 0.00 O ATOM 0 H GLU A 108 3.604 6.038 10.457 1.00 0.00 H new ATOM 0 HA GLU A 108 4.098 5.059 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.338 7.224 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.008 6.322 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.595 8.482 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.501 7.759 9.606 1.00 0.00 H new ATOM 1701 N THR A 109 6.100 6.519 7.498 1.00 0.00 N ATOM 1702 CA THR A 109 7.420 7.156 7.459 1.00 0.00 C ATOM 1703 C THR A 109 7.731 7.617 6.025 1.00 0.00 C ATOM 1704 O THR A 109 7.304 6.971 5.061 1.00 0.00 O ATOM 1705 CB THR A 109 8.494 6.181 7.950 1.00 0.00 C ATOM 1706 OG1 THR A 109 8.081 5.613 9.187 1.00 0.00 O ATOM 1707 CG2 THR A 109 9.804 6.936 8.162 1.00 0.00 C ATOM 0 H THR A 109 5.882 5.969 6.667 1.00 0.00 H new ATOM 0 HA THR A 109 7.416 8.024 8.118 1.00 0.00 H new ATOM 0 HB THR A 109 8.638 5.394 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 109 8.250 4.648 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.570 6.244 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.122 7.384 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.656 7.719 8.905 1.00 0.00 H new ATOM 1715 N SER A 110 8.425 8.765 5.887 1.00 0.00 N ATOM 1716 CA SER A 110 8.720 9.326 4.559 1.00 0.00 C ATOM 1717 C SER A 110 9.919 8.639 3.895 1.00 0.00 C ATOM 1718 O SER A 110 10.804 8.116 4.564 1.00 0.00 O ATOM 1719 CB SER A 110 8.999 10.825 4.674 1.00 0.00 C ATOM 1720 OG SER A 110 10.224 11.026 5.365 1.00 0.00 O ATOM 0 H SER A 110 8.786 9.313 6.668 1.00 0.00 H new ATOM 0 HA SER A 110 7.844 9.153 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.051 11.274 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.184 11.318 5.205 1.00 0.00 H new ATOM 0 HG SER A 110 10.405 11.986 5.438 1.00 0.00 H new ATOM 1726 N VAL A 111 9.934 8.684 2.562 1.00 0.00 N ATOM 1727 CA VAL A 111 11.007 8.088 1.748 1.00 0.00 C ATOM 1728 C VAL A 111 11.514 9.147 0.762 1.00 0.00 C ATOM 1729 O VAL A 111 10.769 10.071 0.422 1.00 0.00 O ATOM 1730 CB VAL A 111 10.489 6.840 0.979 1.00 0.00 C ATOM 1731 CG1 VAL A 111 11.649 6.163 0.231 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.870 5.826 1.962 1.00 0.00 C ATOM 0 H VAL A 111 9.204 9.134 2.011 1.00 0.00 H new ATOM 0 HA VAL A 111 11.819 7.763 2.398 1.00 0.00 H new ATOM 0 HB VAL A 111 9.731 7.166 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.276 5.290 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.084 6.866 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.411 5.852 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.511 4.957 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.624 5.512 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.036 6.291 2.488 1.00 0.00 H new ATOM 1742 N LEU A 112 12.797 9.055 0.363 1.00 0.00 N ATOM 1743 CA LEU A 112 13.389 10.073 -0.531 1.00 0.00 C ATOM 1744 C LEU A 112 13.334 9.643 -2.002 1.00 0.00 C ATOM 1745 O LEU A 112 13.999 8.683 -2.408 1.00 0.00 O ATOM 1746 CB LEU A 112 14.867 10.397 -0.135 1.00 0.00 C ATOM 1747 CG LEU A 112 15.040 10.786 1.383 1.00 0.00 C ATOM 1748 CD1 LEU A 112 14.032 11.874 1.823 1.00 0.00 C ATOM 1749 CD2 LEU A 112 14.911 9.543 2.291 1.00 0.00 C ATOM 0 H LEU A 112 13.432 8.305 0.637 1.00 0.00 H new ATOM 0 HA LEU A 112 12.787 10.974 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.492 9.531 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.230 11.216 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 112 16.043 11.199 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.188 12.110 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.181 12.772 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.015 11.507 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 112 15.034 9.839 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.927 9.094 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 112 15.680 8.818 2.026 1.00 0.00 H new ATOM 1761 N LEU A 113 12.542 10.383 -2.805 1.00 0.00 N ATOM 1762 CA LEU A 113 12.412 10.099 -4.248 1.00 0.00 C ATOM 1763 C LEU A 113 12.654 11.373 -5.059 1.00 0.00 C ATOM 1764 O LEU A 113 11.874 12.324 -4.974 1.00 0.00 O ATOM 1765 CB LEU A 113 10.993 9.510 -4.658 1.00 0.00 C ATOM 1766 CG LEU A 113 10.171 8.882 -3.474 1.00 0.00 C ATOM 1767 CD1 LEU A 113 10.996 7.840 -2.668 1.00 0.00 C ATOM 1768 CD2 LEU A 113 9.633 10.001 -2.548 1.00 0.00 C ATOM 0 H LEU A 113 11.987 11.175 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 113 13.162 9.339 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.402 10.307 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.139 8.748 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 113 9.328 8.343 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.384 7.436 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.305 7.031 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.878 8.322 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.065 9.556 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.469 10.570 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.986 10.666 -3.119 1.00 0.00 H new ATOM 1780 N GLN A 114 13.697 11.360 -5.888 1.00 0.00 N ATOM 1781 CA GLN A 114 13.999 12.494 -6.771 1.00 0.00 C ATOM 1782 C GLN A 114 13.992 12.033 -8.210 1.00 0.00 C ATOM 1783 O GLN A 114 14.378 10.907 -8.497 1.00 0.00 O ATOM 1784 CB GLN A 114 15.352 13.118 -6.416 1.00 0.00 C ATOM 1785 CG GLN A 114 15.237 13.850 -5.075 1.00 0.00 C ATOM 1786 CD GLN A 114 15.206 12.843 -3.936 1.00 0.00 C ATOM 1787 OE1 GLN A 114 16.102 12.025 -3.814 1.00 0.00 O ATOM 1788 NE2 GLN A 114 14.206 12.842 -3.106 1.00 0.00 N ATOM 0 H GLN A 114 14.348 10.579 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 114 13.232 13.257 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.118 12.344 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 114 15.661 13.813 -7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 114 16.080 14.529 -4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 114 14.332 14.458 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.457 13.527 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.170 12.156 -2.352 1.00 0.00 H new ATOM 1797 N VAL A 115 13.492 12.883 -9.109 1.00 0.00 N ATOM 1798 CA VAL A 115 13.377 12.512 -10.529 1.00 0.00 C ATOM 1799 C VAL A 115 14.196 13.446 -11.412 1.00 0.00 C ATOM 1800 O VAL A 115 14.158 14.670 -11.243 1.00 0.00 O ATOM 1801 CB VAL A 115 11.884 12.526 -10.961 1.00 0.00 C ATOM 1802 CG1 VAL A 115 11.087 11.503 -10.115 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.291 13.942 -10.764 1.00 0.00 C ATOM 0 H VAL A 115 13.163 13.823 -8.888 1.00 0.00 H new ATOM 0 HA VAL A 115 13.775 11.505 -10.653 1.00 0.00 H new ATOM 0 HB VAL A 115 11.815 12.255 -12.014 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.041 11.515 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.498 10.505 -10.268 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.160 11.768 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.245 13.944 -11.069 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.363 14.224 -9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.847 14.657 -11.371 1.00 0.00 H new ATOM 1813 N ALA A 116 14.922 12.854 -12.363 1.00 0.00 N ATOM 1814 CA ALA A 116 15.743 13.621 -13.297 1.00 0.00 C ATOM 1815 C ALA A 116 14.863 14.383 -14.287 1.00 0.00 C ATOM 1816 O ALA A 116 13.817 13.883 -14.712 1.00 0.00 O ATOM 1817 CB ALA A 116 16.698 12.689 -14.047 1.00 0.00 C ATOM 0 H ALA A 116 14.957 11.845 -12.505 1.00 0.00 H new ATOM 0 HA ALA A 116 16.328 14.344 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.305 13.271 -14.740 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.348 12.183 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.122 11.949 -14.602 1.00 0.00 H new ATOM 1823 N ALA A 117 15.297 15.597 -14.650 1.00 0.00 N ATOM 1824 CA ALA A 117 14.554 16.433 -15.594 1.00 0.00 C ATOM 1825 C ALA A 117 14.910 16.075 -17.033 1.00 0.00 C ATOM 1826 O ALA A 117 14.162 16.454 -17.919 1.00 0.00 O ATOM 1827 CB ALA A 117 14.853 17.912 -15.338 1.00 0.00 C ATOM 1828 OXT ALA A 117 15.924 15.426 -17.227 1.00 0.00 O ATOM 0 H ALA A 117 16.158 16.019 -14.303 1.00 0.00 H new ATOM 0 HA ALA A 117 13.490 16.251 -15.445 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.295 18.524 -16.046 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.557 18.172 -14.322 1.00 0.00 H new ATOM 0 HB3 ALA A 117 15.920 18.094 -15.463 1.00 0.00 H new TER 1834 ALA A 117