USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -62:sc= 1.93 USER MOD Set 1.2: B 51 THR OG1 : rot 107:sc= 0.525 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.814 K(o=0.81,f=0.00013) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 THR OG1 : rot 51:sc= 1.24 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0349) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 3 TYR OH : rot -83:sc= 0.166 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0.943 (180deg=0.845) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 133:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.826) USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0634 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 35:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 32 GLN : amide:sc= 0.0219 X(o=0.022,f=-0.067) USER MOD Single : A 33 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.53 K(o=1.5,f=-5!) USER MOD Single : A 37 ASN : amide:sc= 0.0153 X(o=0.015,f=-0.034) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -158:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0.551) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 165:sc= 0.712 (180deg=0.617) USER MOD Single : B 2 GLN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 169:sc= 0.948 (180deg=0.848) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0.352 (180deg=0.352) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 93:sc= 1.2 USER MOD Single : B 25 THR OG1 : rot -150:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 169:sc= 1.85 (180deg=1.77) USER MOD Single : B 32 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.21) USER MOD Single : B 33 TYR OH : rot 120:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.694 K(o=0.69,f=-3.4!) USER MOD Single : B 37 ASN : amide:sc= 0.655 K(o=0.66,f=-0.15) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -149:sc= 1.25 USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 0.701 (180deg=0.604) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.044 9.655 -16.681 1.00 0.00 N ATOM 2 CA MET A 1 -5.008 8.536 -16.534 1.00 0.00 C ATOM 3 C MET A 1 -4.815 7.855 -15.183 1.00 0.00 C ATOM 4 O MET A 1 -3.682 7.577 -14.790 1.00 0.00 O ATOM 5 CB MET A 1 -4.879 7.542 -17.703 1.00 0.00 C ATOM 6 CG MET A 1 -5.895 6.396 -17.635 1.00 0.00 C ATOM 7 SD MET A 1 -5.869 5.310 -19.087 1.00 0.00 S ATOM 8 CE MET A 1 -6.688 6.359 -20.321 1.00 0.00 C ATOM 0 H1 MET A 1 -4.182 10.113 -17.604 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.200 10.349 -15.923 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.073 9.287 -16.619 1.00 0.00 H new ATOM 0 HA MET A 1 -6.022 8.935 -16.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.008 8.078 -18.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.871 7.126 -17.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.698 5.800 -16.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.895 6.815 -17.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.874 5.779 -21.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.635 6.721 -19.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.047 7.208 -20.560 1.00 0.00 H new ATOM 20 N GLN A 2 -5.910 7.585 -14.468 1.00 0.00 N ATOM 21 CA GLN A 2 -5.903 6.832 -13.199 1.00 0.00 C ATOM 22 C GLN A 2 -5.650 5.325 -13.430 1.00 0.00 C ATOM 23 O GLN A 2 -6.275 4.711 -14.300 1.00 0.00 O ATOM 24 CB GLN A 2 -7.251 7.024 -12.477 1.00 0.00 C ATOM 25 CG GLN A 2 -7.189 6.705 -10.975 1.00 0.00 C ATOM 26 CD GLN A 2 -6.854 7.928 -10.149 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.728 8.675 -9.727 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.590 8.171 -9.893 1.00 0.00 N ATOM 0 H GLN A 2 -6.842 7.885 -14.753 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.090 7.219 -12.584 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.582 8.054 -12.609 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.000 6.386 -12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.147 6.300 -10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.440 5.932 -10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.868 7.544 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.330 8.987 -9.339 1.00 0.00 H new ATOM 37 N TYR A 3 -4.758 4.731 -12.637 1.00 0.00 N ATOM 38 CA TYR A 3 -4.506 3.283 -12.533 1.00 0.00 C ATOM 39 C TYR A 3 -4.640 2.783 -11.080 1.00 0.00 C ATOM 40 O TYR A 3 -4.504 3.573 -10.142 1.00 0.00 O ATOM 41 CB TYR A 3 -3.113 2.969 -13.091 1.00 0.00 C ATOM 42 CG TYR A 3 -2.951 3.246 -14.576 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.596 4.534 -15.024 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.148 2.214 -15.511 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.467 4.795 -16.401 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.019 2.479 -16.886 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.696 3.770 -17.331 1.00 0.00 C ATOM 48 OH TYR A 3 -2.603 4.017 -18.667 1.00 0.00 O ATOM 0 H TYR A 3 -4.157 5.271 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.259 2.758 -13.120 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.375 3.555 -12.543 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.889 1.919 -12.904 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.422 5.324 -14.308 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.398 1.219 -15.173 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.192 5.783 -16.741 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.169 1.685 -17.603 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.448 4.395 -18.989 1.00 0.00 H new ATOM 58 N LYS A 4 -4.844 1.479 -10.873 1.00 0.00 N ATOM 59 CA LYS A 4 -5.110 0.862 -9.559 1.00 0.00 C ATOM 60 C LYS A 4 -4.270 -0.418 -9.311 1.00 0.00 C ATOM 61 O LYS A 4 -3.883 -1.096 -10.260 1.00 0.00 O ATOM 62 CB LYS A 4 -6.622 0.574 -9.496 1.00 0.00 C ATOM 63 CG LYS A 4 -7.108 0.074 -8.129 1.00 0.00 C ATOM 64 CD LYS A 4 -8.612 -0.217 -8.126 1.00 0.00 C ATOM 65 CE LYS A 4 -8.974 -0.783 -6.750 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.386 -1.201 -6.662 1.00 0.00 N ATOM 0 H LYS A 4 -4.829 0.799 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.811 1.546 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.165 1.484 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.871 -0.170 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.563 -0.831 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.882 0.821 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.178 0.693 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.865 -0.929 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.332 -1.637 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.774 -0.030 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.534 -1.743 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.997 -0.360 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.624 -1.796 -7.481 1.00 0.00 H new ATOM 80 N LEU A 5 -4.027 -0.774 -8.045 1.00 0.00 N ATOM 81 CA LEU A 5 -3.239 -1.922 -7.567 1.00 0.00 C ATOM 82 C LEU A 5 -3.986 -2.662 -6.437 1.00 0.00 C ATOM 83 O LEU A 5 -4.419 -2.037 -5.468 1.00 0.00 O ATOM 84 CB LEU A 5 -1.894 -1.363 -7.063 1.00 0.00 C ATOM 85 CG LEU A 5 -0.707 -2.302 -6.775 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.912 -3.256 -5.601 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.300 -3.108 -8.004 1.00 0.00 C ATOM 0 H LEU A 5 -4.402 -0.229 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.079 -2.645 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.554 -0.634 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.099 -0.815 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 5 0.094 -1.619 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.024 -3.876 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.084 -2.681 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.775 -3.893 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.540 -3.755 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.141 -3.717 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.008 -2.428 -8.804 1.00 0.00 H new ATOM 99 N ILE A 6 -4.109 -3.986 -6.534 1.00 0.00 N ATOM 100 CA ILE A 6 -4.720 -4.866 -5.518 1.00 0.00 C ATOM 101 C ILE A 6 -3.638 -5.764 -4.898 1.00 0.00 C ATOM 102 O ILE A 6 -2.943 -6.483 -5.621 1.00 0.00 O ATOM 103 CB ILE A 6 -5.847 -5.722 -6.145 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.893 -4.833 -6.859 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.504 -6.608 -5.062 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.989 -5.612 -7.595 1.00 0.00 C ATOM 0 H ILE A 6 -3.776 -4.501 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.163 -4.251 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.409 -6.373 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.361 -4.180 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.379 -4.190 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.296 -7.207 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.753 -7.268 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.927 -5.975 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.679 -4.912 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.536 -6.245 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.533 -6.234 -6.884 1.00 0.00 H new ATOM 118 N LEU A 7 -3.503 -5.748 -3.571 1.00 0.00 N ATOM 119 CA LEU A 7 -2.482 -6.475 -2.815 1.00 0.00 C ATOM 120 C LEU A 7 -3.091 -7.665 -2.043 1.00 0.00 C ATOM 121 O LEU A 7 -3.939 -7.496 -1.162 1.00 0.00 O ATOM 122 CB LEU A 7 -1.767 -5.483 -1.880 1.00 0.00 C ATOM 123 CG LEU A 7 -0.531 -6.074 -1.177 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.633 -6.282 -2.148 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.074 -5.132 -0.070 1.00 0.00 C ATOM 0 H LEU A 7 -4.126 -5.208 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.753 -6.905 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.463 -4.609 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.472 -5.137 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.820 -7.043 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.484 -6.700 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.329 -6.969 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.916 -5.325 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.801 -5.552 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.182 -4.163 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.878 -5.006 0.656 1.00 0.00 H new ATOM 137 N ASN A 8 -2.613 -8.861 -2.382 1.00 0.00 N ATOM 138 CA ASN A 8 -2.952 -10.138 -1.756 1.00 0.00 C ATOM 139 C ASN A 8 -1.680 -10.789 -1.177 1.00 0.00 C ATOM 140 O ASN A 8 -0.771 -11.186 -1.909 1.00 0.00 O ATOM 141 CB ASN A 8 -3.671 -11.076 -2.743 1.00 0.00 C ATOM 142 CG ASN A 8 -4.715 -10.418 -3.625 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.912 -10.453 -3.366 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.265 -9.846 -4.719 1.00 0.00 N ATOM 0 H ASN A 8 -1.942 -8.971 -3.142 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.648 -9.952 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.923 -11.545 -3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.150 -11.874 -2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.917 -9.418 -5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.263 -9.830 -4.911 1.00 0.00 H new ATOM 151 N GLY A 9 -1.606 -10.888 0.145 1.00 0.00 N ATOM 152 CA GLY A 9 -0.434 -11.412 0.859 1.00 0.00 C ATOM 153 C GLY A 9 -0.685 -11.777 2.323 1.00 0.00 C ATOM 154 O GLY A 9 -1.778 -11.588 2.861 1.00 0.00 O ATOM 0 H GLY A 9 -2.365 -10.605 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.073 -12.297 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.362 -10.669 0.816 1.00 0.00 H new ATOM 158 N LYS A 10 0.338 -12.328 2.966 1.00 0.00 N ATOM 159 CA LYS A 10 0.309 -12.812 4.354 1.00 0.00 C ATOM 160 C LYS A 10 0.783 -11.726 5.342 1.00 0.00 C ATOM 161 O LYS A 10 0.218 -11.558 6.424 1.00 0.00 O ATOM 162 CB LYS A 10 1.201 -14.061 4.468 1.00 0.00 C ATOM 163 CG LYS A 10 0.750 -15.207 3.544 1.00 0.00 C ATOM 164 CD LYS A 10 1.654 -16.440 3.712 1.00 0.00 C ATOM 165 CE LYS A 10 1.337 -17.549 2.698 1.00 0.00 C ATOM 166 NZ LYS A 10 0.016 -18.174 2.925 1.00 0.00 N ATOM 0 H LYS A 10 1.248 -12.458 2.524 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.719 -13.063 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.229 -13.790 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.197 -14.411 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.282 -15.475 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.774 -14.873 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.696 -16.139 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.541 -16.834 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.369 -17.134 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.110 -18.315 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.145 -18.914 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.010 -18.596 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.728 -17.451 2.847 1.00 0.00 H new ATOM 180 N THR A 11 1.787 -10.947 4.938 1.00 0.00 N ATOM 181 CA THR A 11 2.341 -9.805 5.691 1.00 0.00 C ATOM 182 C THR A 11 1.425 -8.567 5.651 1.00 0.00 C ATOM 183 O THR A 11 1.321 -7.812 6.621 1.00 0.00 O ATOM 184 CB THR A 11 3.690 -9.390 5.063 1.00 0.00 C ATOM 185 OG1 THR A 11 4.519 -10.503 4.811 1.00 0.00 O ATOM 186 CG2 THR A 11 4.487 -8.410 5.919 1.00 0.00 C ATOM 0 H THR A 11 2.259 -11.094 4.046 1.00 0.00 H new ATOM 0 HA THR A 11 2.447 -10.132 6.725 1.00 0.00 H new ATOM 0 HB THR A 11 3.410 -8.899 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.890 -10.436 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.422 -8.164 5.415 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.905 -7.501 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.705 -8.865 6.885 1.00 0.00 H new ATOM 194 N LEU A 12 0.770 -8.350 4.506 1.00 0.00 N ATOM 195 CA LEU A 12 -0.111 -7.210 4.237 1.00 0.00 C ATOM 196 C LEU A 12 -1.201 -7.568 3.201 1.00 0.00 C ATOM 197 O LEU A 12 -0.968 -8.382 2.304 1.00 0.00 O ATOM 198 CB LEU A 12 0.777 -6.034 3.759 1.00 0.00 C ATOM 199 CG LEU A 12 0.119 -4.642 3.828 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.086 -4.191 5.273 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.000 -3.588 3.163 1.00 0.00 C ATOM 0 H LEU A 12 0.842 -8.987 3.712 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.646 -6.925 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.686 -6.018 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.080 -6.224 2.729 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.839 -4.733 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.552 -3.206 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.731 -4.903 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.878 -4.142 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.513 -2.615 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.963 -3.545 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.154 -3.850 2.116 1.00 0.00 H new ATOM 213 N LYS A 13 -2.364 -6.926 3.290 1.00 0.00 N ATOM 214 CA LYS A 13 -3.441 -6.966 2.285 1.00 0.00 C ATOM 215 C LYS A 13 -3.981 -5.543 2.067 1.00 0.00 C ATOM 216 O LYS A 13 -3.982 -4.746 3.007 1.00 0.00 O ATOM 217 CB LYS A 13 -4.588 -7.880 2.751 1.00 0.00 C ATOM 218 CG LYS A 13 -4.226 -9.372 2.780 1.00 0.00 C ATOM 219 CD LYS A 13 -5.460 -10.207 3.168 1.00 0.00 C ATOM 220 CE LYS A 13 -5.236 -11.723 3.083 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.259 -12.215 4.076 1.00 0.00 N ATOM 0 H LYS A 13 -2.598 -6.340 4.091 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.037 -7.362 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.901 -7.573 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.444 -7.737 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.858 -9.684 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.421 -9.545 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.756 -9.950 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.290 -9.935 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.187 -12.235 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.889 -11.979 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.400 -13.235 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.294 -12.046 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.395 -11.711 4.976 1.00 0.00 H new ATOM 235 N GLY A 14 -4.446 -5.186 0.868 1.00 0.00 N ATOM 236 CA GLY A 14 -4.926 -3.819 0.603 1.00 0.00 C ATOM 237 C GLY A 14 -5.213 -3.462 -0.856 1.00 0.00 C ATOM 238 O GLY A 14 -5.159 -4.312 -1.749 1.00 0.00 O ATOM 0 H GLY A 14 -4.502 -5.816 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.839 -3.662 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.184 -3.118 0.985 1.00 0.00 H new ATOM 242 N GLU A 15 -5.509 -2.181 -1.091 1.00 0.00 N ATOM 243 CA GLU A 15 -5.797 -1.575 -2.409 1.00 0.00 C ATOM 244 C GLU A 15 -5.247 -0.150 -2.499 1.00 0.00 C ATOM 245 O GLU A 15 -5.476 0.667 -1.604 1.00 0.00 O ATOM 246 CB GLU A 15 -7.310 -1.510 -2.681 1.00 0.00 C ATOM 247 CG GLU A 15 -7.960 -2.882 -2.857 1.00 0.00 C ATOM 248 CD GLU A 15 -9.459 -2.725 -3.064 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.881 -2.506 -4.221 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.211 -2.824 -2.070 1.00 0.00 O ATOM 0 H GLU A 15 -5.559 -1.498 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.312 -2.212 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.797 -0.990 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.484 -0.917 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.519 -3.396 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.768 -3.500 -1.979 1.00 0.00 H new ATOM 257 N THR A 16 -4.538 0.149 -3.586 1.00 0.00 N ATOM 258 CA THR A 16 -3.930 1.470 -3.844 1.00 0.00 C ATOM 259 C THR A 16 -4.180 1.985 -5.270 1.00 0.00 C ATOM 260 O THR A 16 -4.570 1.235 -6.166 1.00 0.00 O ATOM 261 CB THR A 16 -2.418 1.522 -3.515 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.620 1.043 -4.564 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.994 0.736 -2.273 1.00 0.00 C ATOM 0 H THR A 16 -4.362 -0.526 -4.330 1.00 0.00 H new ATOM 0 HA THR A 16 -4.443 2.140 -3.154 1.00 0.00 H new ATOM 0 HB THR A 16 -2.262 2.586 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.695 0.948 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.918 0.836 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.515 1.128 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.246 -0.316 -2.405 1.00 0.00 H new ATOM 271 N THR A 17 -3.993 3.287 -5.482 1.00 0.00 N ATOM 272 CA THR A 17 -4.354 4.006 -6.718 1.00 0.00 C ATOM 273 C THR A 17 -3.333 5.108 -7.029 1.00 0.00 C ATOM 274 O THR A 17 -2.808 5.749 -6.112 1.00 0.00 O ATOM 275 CB THR A 17 -5.757 4.658 -6.605 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.646 3.945 -5.767 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.455 4.785 -7.955 1.00 0.00 C ATOM 0 H THR A 17 -3.573 3.896 -4.780 1.00 0.00 H new ATOM 0 HA THR A 17 -4.361 3.268 -7.520 1.00 0.00 H new ATOM 0 HB THR A 17 -5.545 5.639 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.509 4.408 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.432 5.247 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.852 5.403 -8.620 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.581 3.795 -8.394 1.00 0.00 H new ATOM 285 N THR A 18 -3.048 5.357 -8.309 1.00 0.00 N ATOM 286 CA THR A 18 -2.088 6.368 -8.791 1.00 0.00 C ATOM 287 C THR A 18 -2.553 6.971 -10.128 1.00 0.00 C ATOM 288 O THR A 18 -3.442 6.424 -10.784 1.00 0.00 O ATOM 289 CB THR A 18 -0.685 5.734 -8.971 1.00 0.00 C ATOM 290 OG1 THR A 18 0.319 6.709 -9.122 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.566 4.811 -10.192 1.00 0.00 C ATOM 0 H THR A 18 -3.493 4.845 -9.071 1.00 0.00 H new ATOM 0 HA THR A 18 -2.034 7.162 -8.047 1.00 0.00 H new ATOM 0 HB THR A 18 -0.552 5.153 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.099 7.492 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.445 4.408 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.278 3.991 -10.099 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.780 5.377 -11.098 1.00 0.00 H new ATOM 299 N GLU A 19 -1.964 8.090 -10.552 1.00 0.00 N ATOM 300 CA GLU A 19 -2.134 8.681 -11.897 1.00 0.00 C ATOM 301 C GLU A 19 -0.786 8.826 -12.591 1.00 0.00 C ATOM 302 O GLU A 19 0.153 9.409 -12.046 1.00 0.00 O ATOM 303 CB GLU A 19 -2.904 10.010 -11.853 1.00 0.00 C ATOM 304 CG GLU A 19 -2.924 10.709 -13.217 1.00 0.00 C ATOM 305 CD GLU A 19 -4.185 11.533 -13.422 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.441 12.462 -12.626 1.00 0.00 O ATOM 307 OE2 GLU A 19 -4.889 11.254 -14.420 1.00 0.00 O ATOM 0 H GLU A 19 -1.336 8.632 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.744 7.996 -12.486 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.927 9.825 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.447 10.669 -11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.051 11.356 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.848 9.962 -14.007 1.00 0.00 H new ATOM 314 N ALA A 20 -0.705 8.268 -13.796 1.00 0.00 N ATOM 315 CA ALA A 20 0.480 8.206 -14.627 1.00 0.00 C ATOM 316 C ALA A 20 0.145 8.543 -16.089 1.00 0.00 C ATOM 317 O ALA A 20 -1.026 8.633 -16.483 1.00 0.00 O ATOM 318 CB ALA A 20 1.050 6.794 -14.510 1.00 0.00 C ATOM 0 H ALA A 20 -1.511 7.825 -14.237 1.00 0.00 H new ATOM 0 HA ALA A 20 1.214 8.940 -14.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.946 6.711 -15.125 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.304 6.589 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.308 6.073 -14.851 1.00 0.00 H new ATOM 324 N VAL A 21 1.191 8.693 -16.900 1.00 0.00 N ATOM 325 CA VAL A 21 1.024 8.864 -18.359 1.00 0.00 C ATOM 326 C VAL A 21 0.473 7.575 -18.987 1.00 0.00 C ATOM 327 O VAL A 21 -0.516 7.614 -19.725 1.00 0.00 O ATOM 328 CB VAL A 21 2.318 9.368 -19.027 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.524 8.482 -18.717 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.173 9.528 -20.544 1.00 0.00 C ATOM 0 H VAL A 21 2.161 8.701 -16.583 1.00 0.00 H new ATOM 0 HA VAL A 21 0.285 9.645 -18.539 1.00 0.00 H new ATOM 0 HB VAL A 21 2.496 10.352 -18.593 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.408 8.884 -19.213 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.691 8.459 -17.640 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.335 7.471 -19.077 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.113 9.885 -20.964 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.920 8.566 -20.989 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.383 10.247 -20.760 1.00 0.00 H new ATOM 340 N ASP A 22 1.055 6.427 -18.624 1.00 0.00 N ATOM 341 CA ASP A 22 0.707 5.102 -19.152 1.00 0.00 C ATOM 342 C ASP A 22 0.864 3.971 -18.125 1.00 0.00 C ATOM 343 O ASP A 22 1.473 4.127 -17.065 1.00 0.00 O ATOM 344 CB ASP A 22 1.554 4.818 -20.417 1.00 0.00 C ATOM 345 CG ASP A 22 3.091 4.864 -20.245 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.604 4.733 -19.107 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.791 5.033 -21.271 1.00 0.00 O ATOM 0 H ASP A 22 1.805 6.393 -17.933 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.353 5.123 -19.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.283 3.832 -20.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.275 5.541 -21.184 1.00 0.00 H new ATOM 352 N ALA A 23 0.300 2.820 -18.483 1.00 0.00 N ATOM 353 CA ALA A 23 0.323 1.584 -17.708 1.00 0.00 C ATOM 354 C ALA A 23 1.744 1.158 -17.295 1.00 0.00 C ATOM 355 O ALA A 23 1.917 0.561 -16.241 1.00 0.00 O ATOM 356 CB ALA A 23 -0.361 0.483 -18.525 1.00 0.00 C ATOM 0 H ALA A 23 -0.208 2.720 -19.362 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.216 1.757 -16.777 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.352 -0.449 -17.959 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.391 0.771 -18.733 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.173 0.342 -19.465 1.00 0.00 H new ATOM 362 N ALA A 24 2.771 1.490 -18.078 1.00 0.00 N ATOM 363 CA ALA A 24 4.156 1.166 -17.792 1.00 0.00 C ATOM 364 C ALA A 24 4.720 2.090 -16.701 1.00 0.00 C ATOM 365 O ALA A 24 5.362 1.613 -15.766 1.00 0.00 O ATOM 366 CB ALA A 24 4.976 1.231 -19.086 1.00 0.00 C ATOM 0 H ALA A 24 2.652 2.005 -18.950 1.00 0.00 H new ATOM 0 HA ALA A 24 4.218 0.149 -17.404 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.016 0.987 -18.870 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.578 0.516 -19.806 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.918 2.236 -19.504 1.00 0.00 H new ATOM 372 N THR A 25 4.421 3.392 -16.730 1.00 0.00 N ATOM 373 CA THR A 25 4.716 4.339 -15.641 1.00 0.00 C ATOM 374 C THR A 25 3.930 4.010 -14.364 1.00 0.00 C ATOM 375 O THR A 25 4.517 3.908 -13.287 1.00 0.00 O ATOM 376 CB THR A 25 4.423 5.773 -16.099 1.00 0.00 C ATOM 377 OG1 THR A 25 5.088 6.052 -17.313 1.00 0.00 O ATOM 378 CG2 THR A 25 4.874 6.824 -15.082 1.00 0.00 C ATOM 0 H THR A 25 3.957 3.830 -17.526 1.00 0.00 H new ATOM 0 HA THR A 25 5.775 4.248 -15.399 1.00 0.00 H new ATOM 0 HB THR A 25 3.341 5.830 -16.216 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.546 5.731 -18.064 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.641 7.819 -15.460 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.354 6.663 -14.138 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.949 6.739 -14.923 1.00 0.00 H new ATOM 386 N ALA A 26 2.623 3.756 -14.457 1.00 0.00 N ATOM 387 CA ALA A 26 1.803 3.327 -13.313 1.00 0.00 C ATOM 388 C ALA A 26 2.269 1.998 -12.681 1.00 0.00 C ATOM 389 O ALA A 26 2.318 1.874 -11.456 1.00 0.00 O ATOM 390 CB ALA A 26 0.353 3.203 -13.772 1.00 0.00 C ATOM 0 H ALA A 26 2.099 3.841 -15.328 1.00 0.00 H new ATOM 0 HA ALA A 26 1.909 4.083 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.268 2.885 -12.934 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.003 4.169 -14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.287 2.466 -14.573 1.00 0.00 H new ATOM 396 N GLU A 27 2.704 1.056 -13.528 1.00 0.00 N ATOM 397 CA GLU A 27 3.361 -0.194 -13.092 1.00 0.00 C ATOM 398 C GLU A 27 4.702 0.102 -12.437 1.00 0.00 C ATOM 399 O GLU A 27 5.031 -0.525 -11.434 1.00 0.00 O ATOM 400 CB GLU A 27 3.576 -1.207 -14.232 1.00 0.00 C ATOM 401 CG GLU A 27 3.908 -2.607 -13.708 1.00 0.00 C ATOM 402 CD GLU A 27 4.369 -3.525 -14.832 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.658 -3.661 -15.852 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.443 -4.144 -14.660 1.00 0.00 O ATOM 0 H GLU A 27 2.612 1.135 -14.541 1.00 0.00 H new ATOM 0 HA GLU A 27 2.677 -0.648 -12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.677 -1.255 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.385 -0.861 -14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.688 -2.538 -12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.030 -3.034 -13.224 1.00 0.00 H new ATOM 411 N LYS A 28 5.465 1.083 -12.927 1.00 0.00 N ATOM 412 CA LYS A 28 6.723 1.488 -12.275 1.00 0.00 C ATOM 413 C LYS A 28 6.501 2.138 -10.892 1.00 0.00 C ATOM 414 O LYS A 28 7.179 1.760 -9.932 1.00 0.00 O ATOM 415 CB LYS A 28 7.497 2.404 -13.241 1.00 0.00 C ATOM 416 CG LYS A 28 8.895 2.812 -12.754 1.00 0.00 C ATOM 417 CD LYS A 28 9.581 3.662 -13.835 1.00 0.00 C ATOM 418 CE LYS A 28 10.968 4.127 -13.381 1.00 0.00 C ATOM 419 NZ LYS A 28 11.643 4.924 -14.427 1.00 0.00 N ATOM 0 H LYS A 28 5.239 1.612 -13.769 1.00 0.00 H new ATOM 0 HA LYS A 28 7.317 0.598 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.595 1.897 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.910 3.306 -13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.819 3.377 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.491 1.925 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.672 3.082 -14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.962 4.529 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.874 4.722 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.580 3.260 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.579 5.222 -14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.755 4.347 -15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.071 5.764 -14.647 1.00 0.00 H new ATOM 433 N VAL A 29 5.534 3.055 -10.729 1.00 0.00 N ATOM 434 CA VAL A 29 5.171 3.619 -9.407 1.00 0.00 C ATOM 435 C VAL A 29 4.758 2.509 -8.438 1.00 0.00 C ATOM 436 O VAL A 29 5.326 2.383 -7.353 1.00 0.00 O ATOM 437 CB VAL A 29 4.037 4.662 -9.529 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.567 5.184 -8.164 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.485 5.882 -10.347 1.00 0.00 C ATOM 0 H VAL A 29 4.981 3.428 -11.501 1.00 0.00 H new ATOM 0 HA VAL A 29 6.055 4.121 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 29 3.219 4.139 -10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.770 5.913 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.194 4.353 -7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.403 5.657 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.664 6.596 -10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.338 6.354 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.771 5.563 -11.349 1.00 0.00 H new ATOM 449 N PHE A 30 3.819 1.660 -8.853 1.00 0.00 N ATOM 450 CA PHE A 30 3.399 0.528 -8.028 1.00 0.00 C ATOM 451 C PHE A 30 4.545 -0.452 -7.700 1.00 0.00 C ATOM 452 O PHE A 30 4.627 -0.949 -6.574 1.00 0.00 O ATOM 453 CB PHE A 30 2.235 -0.215 -8.686 1.00 0.00 C ATOM 454 CG PHE A 30 0.922 0.547 -8.795 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.425 1.285 -7.701 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.163 0.474 -9.979 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.814 1.943 -7.789 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.083 1.121 -10.064 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.574 1.846 -8.965 1.00 0.00 C ATOM 0 H PHE A 30 3.337 1.733 -9.749 1.00 0.00 H new ATOM 0 HA PHE A 30 3.072 0.950 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.542 -0.512 -9.689 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.053 -1.131 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.000 1.345 -6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.539 -0.081 -10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.180 2.522 -6.954 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.662 1.061 -10.974 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.538 2.329 -9.025 1.00 0.00 H new ATOM 469 N LYS A 31 5.473 -0.682 -8.636 1.00 0.00 N ATOM 470 CA LYS A 31 6.672 -1.481 -8.365 1.00 0.00 C ATOM 471 C LYS A 31 7.637 -0.830 -7.362 1.00 0.00 C ATOM 472 O LYS A 31 8.417 -1.531 -6.717 1.00 0.00 O ATOM 473 CB LYS A 31 7.415 -1.859 -9.653 1.00 0.00 C ATOM 474 CG LYS A 31 6.836 -3.161 -10.219 1.00 0.00 C ATOM 475 CD LYS A 31 7.655 -3.661 -11.413 1.00 0.00 C ATOM 476 CE LYS A 31 7.355 -5.136 -11.721 1.00 0.00 C ATOM 477 NZ LYS A 31 5.968 -5.355 -12.175 1.00 0.00 N ATOM 0 H LYS A 31 5.416 -0.325 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 31 6.300 -2.392 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.321 -1.059 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.479 -1.981 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.821 -3.924 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.803 -2.999 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.432 -3.052 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.718 -3.541 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.044 -5.489 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.539 -5.734 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.822 -6.366 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.307 -5.045 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.796 -4.808 -13.043 1.00 0.00 H new ATOM 491 N GLN A 32 7.605 0.489 -7.164 1.00 0.00 N ATOM 492 CA GLN A 32 8.395 1.166 -6.120 1.00 0.00 C ATOM 493 C GLN A 32 7.880 0.880 -4.693 1.00 0.00 C ATOM 494 O GLN A 32 8.676 0.626 -3.786 1.00 0.00 O ATOM 495 CB GLN A 32 8.400 2.681 -6.427 1.00 0.00 C ATOM 496 CG GLN A 32 9.801 3.265 -6.644 1.00 0.00 C ATOM 497 CD GLN A 32 10.583 2.602 -7.765 1.00 0.00 C ATOM 498 OE1 GLN A 32 11.750 2.268 -7.606 1.00 0.00 O ATOM 499 NE2 GLN A 32 9.994 2.396 -8.926 1.00 0.00 N ATOM 0 H GLN A 32 7.032 1.123 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 32 9.411 0.772 -6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.799 2.863 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.920 3.210 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.710 4.330 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.368 3.175 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.022 2.673 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.510 1.959 -9.689 1.00 0.00 H new ATOM 508 N TYR A 33 6.558 0.864 -4.492 1.00 0.00 N ATOM 509 CA TYR A 33 5.913 0.486 -3.216 1.00 0.00 C ATOM 510 C TYR A 33 5.826 -1.040 -2.976 1.00 0.00 C ATOM 511 O TYR A 33 5.799 -1.489 -1.828 1.00 0.00 O ATOM 512 CB TYR A 33 4.507 1.101 -3.167 1.00 0.00 C ATOM 513 CG TYR A 33 4.501 2.598 -2.906 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.687 3.516 -3.960 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.308 3.075 -1.596 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.660 4.899 -3.707 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.282 4.459 -1.345 1.00 0.00 C ATOM 518 CZ TYR A 33 4.450 5.370 -2.401 1.00 0.00 C ATOM 519 OH TYR A 33 4.399 6.709 -2.166 1.00 0.00 O ATOM 0 H TYR A 33 5.889 1.117 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 33 6.545 0.876 -2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.002 0.904 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.930 0.603 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.851 3.156 -4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.180 2.377 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.801 5.599 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.133 4.822 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 33 3.598 6.919 -1.643 1.00 0.00 H new ATOM 529 N PHE A 34 5.819 -1.823 -4.057 1.00 0.00 N ATOM 530 CA PHE A 34 5.635 -3.284 -4.042 1.00 0.00 C ATOM 531 C PHE A 34 6.714 -4.018 -4.860 1.00 0.00 C ATOM 532 O PHE A 34 6.773 -3.912 -6.083 1.00 0.00 O ATOM 533 CB PHE A 34 4.200 -3.634 -4.472 1.00 0.00 C ATOM 534 CG PHE A 34 3.136 -2.916 -3.656 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.023 -3.160 -2.273 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.306 -1.950 -4.258 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.106 -2.432 -1.495 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.377 -1.232 -3.483 1.00 0.00 C ATOM 539 CZ PHE A 34 1.279 -1.469 -2.101 1.00 0.00 C ATOM 0 H PHE A 34 5.945 -1.451 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 34 5.768 -3.642 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.072 -3.382 -5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.053 -4.710 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.645 -3.911 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.383 -1.760 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.036 -2.612 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.738 -0.498 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.570 -0.913 -1.506 1.00 0.00 H new ATOM 549 N ASN A 35 7.593 -4.756 -4.174 1.00 0.00 N ATOM 550 CA ASN A 35 8.769 -5.410 -4.767 1.00 0.00 C ATOM 551 C ASN A 35 9.283 -6.581 -3.895 1.00 0.00 C ATOM 552 O ASN A 35 9.202 -7.735 -4.317 1.00 0.00 O ATOM 553 CB ASN A 35 9.867 -4.361 -5.060 1.00 0.00 C ATOM 554 CG ASN A 35 10.062 -3.300 -3.980 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.406 -3.582 -2.839 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.831 -2.050 -4.308 1.00 0.00 N ATOM 0 H ASN A 35 7.507 -4.920 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 35 8.473 -5.857 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.813 -4.882 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.627 -3.861 -5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.938 -1.312 -3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.545 -1.817 -5.259 1.00 0.00 H new ATOM 563 N ASP A 36 9.744 -6.303 -2.668 1.00 0.00 N ATOM 564 CA ASP A 36 10.257 -7.284 -1.687 1.00 0.00 C ATOM 565 C ASP A 36 10.240 -6.803 -0.222 1.00 0.00 C ATOM 566 O ASP A 36 10.874 -7.406 0.646 1.00 0.00 O ATOM 567 CB ASP A 36 11.672 -7.739 -2.089 1.00 0.00 C ATOM 568 CG ASP A 36 12.731 -6.613 -2.148 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.250 -6.200 -1.083 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.074 -6.166 -3.270 1.00 0.00 O ATOM 0 H ASP A 36 9.773 -5.348 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 36 9.563 -8.124 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.008 -8.496 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.619 -8.218 -3.067 1.00 0.00 H new ATOM 575 N ASN A 37 9.474 -5.749 0.073 1.00 0.00 N ATOM 576 CA ASN A 37 9.242 -5.301 1.455 1.00 0.00 C ATOM 577 C ASN A 37 8.648 -6.441 2.324 1.00 0.00 C ATOM 578 O ASN A 37 9.021 -6.614 3.487 1.00 0.00 O ATOM 579 CB ASN A 37 8.343 -4.049 1.435 1.00 0.00 C ATOM 580 CG ASN A 37 8.988 -2.880 0.700 1.00 0.00 C ATOM 581 OD1 ASN A 37 10.141 -2.529 0.928 1.00 0.00 O ATOM 582 ND2 ASN A 37 8.279 -2.256 -0.220 1.00 0.00 N ATOM 0 H ASN A 37 8.999 -5.184 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 37 10.193 -5.034 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.394 -4.295 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.118 -3.751 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.689 -1.482 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.320 -2.548 -0.410 1.00 0.00 H new ATOM 589 N GLY A 38 7.745 -7.230 1.722 1.00 0.00 N ATOM 590 CA GLY A 38 7.036 -8.292 2.453 1.00 0.00 C ATOM 591 C GLY A 38 6.161 -9.252 1.647 1.00 0.00 C ATOM 592 O GLY A 38 5.328 -9.930 2.253 1.00 0.00 O ATOM 0 H GLY A 38 7.489 -7.154 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.779 -8.885 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.407 -7.817 3.206 1.00 0.00 H new ATOM 596 N VAL A 39 6.332 -9.324 0.322 1.00 0.00 N ATOM 597 CA VAL A 39 5.515 -10.193 -0.558 1.00 0.00 C ATOM 598 C VAL A 39 6.295 -10.959 -1.639 1.00 0.00 C ATOM 599 O VAL A 39 6.072 -12.161 -1.788 1.00 0.00 O ATOM 600 CB VAL A 39 4.344 -9.425 -1.217 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.258 -9.053 -0.204 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.745 -8.146 -1.970 1.00 0.00 C ATOM 0 H VAL A 39 7.039 -8.785 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 39 5.127 -10.944 0.130 1.00 0.00 H new ATOM 0 HB VAL A 39 3.965 -10.136 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.456 -8.516 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.857 -9.960 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.686 -8.418 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.856 -7.681 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.223 -7.452 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.441 -8.398 -2.770 1.00 0.00 H new ATOM 612 N ASP A 40 7.212 -10.317 -2.383 1.00 0.00 N ATOM 613 CA ASP A 40 7.881 -10.881 -3.586 1.00 0.00 C ATOM 614 C ASP A 40 6.922 -11.678 -4.509 1.00 0.00 C ATOM 615 O ASP A 40 7.215 -12.787 -4.961 1.00 0.00 O ATOM 616 CB ASP A 40 9.141 -11.664 -3.151 1.00 0.00 C ATOM 617 CG ASP A 40 10.037 -12.155 -4.312 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.252 -11.401 -5.294 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.570 -13.290 -4.220 1.00 0.00 O ATOM 0 H ASP A 40 7.521 -9.369 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 40 8.206 -10.058 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.737 -11.029 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.829 -12.527 -2.562 1.00 0.00 H new ATOM 624 N GLY A 41 5.728 -11.118 -4.726 1.00 0.00 N ATOM 625 CA GLY A 41 4.592 -11.780 -5.383 1.00 0.00 C ATOM 626 C GLY A 41 4.572 -11.775 -6.921 1.00 0.00 C ATOM 627 O GLY A 41 5.373 -11.114 -7.589 1.00 0.00 O ATOM 0 H GLY A 41 5.517 -10.162 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.565 -12.817 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.675 -11.307 -5.031 1.00 0.00 H new ATOM 631 N GLU A 42 3.610 -12.518 -7.473 1.00 0.00 N ATOM 632 CA GLU A 42 3.260 -12.613 -8.907 1.00 0.00 C ATOM 633 C GLU A 42 2.323 -11.480 -9.329 1.00 0.00 C ATOM 634 O GLU A 42 1.297 -11.244 -8.690 1.00 0.00 O ATOM 635 CB GLU A 42 2.576 -13.963 -9.184 1.00 0.00 C ATOM 636 CG GLU A 42 2.211 -14.168 -10.656 1.00 0.00 C ATOM 637 CD GLU A 42 1.675 -15.577 -10.868 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.455 -15.785 -10.682 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.473 -16.470 -11.233 1.00 0.00 O ATOM 0 H GLU A 42 3.011 -13.111 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 42 4.181 -12.532 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.237 -14.769 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.672 -14.035 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.462 -13.436 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.088 -14.005 -11.283 1.00 0.00 H new ATOM 646 N TRP A 43 2.676 -10.798 -10.416 1.00 0.00 N ATOM 647 CA TRP A 43 1.912 -9.688 -11.000 1.00 0.00 C ATOM 648 C TRP A 43 0.920 -10.133 -12.096 1.00 0.00 C ATOM 649 O TRP A 43 1.182 -11.062 -12.868 1.00 0.00 O ATOM 650 CB TRP A 43 2.888 -8.636 -11.548 1.00 0.00 C ATOM 651 CG TRP A 43 3.572 -7.813 -10.496 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.471 -8.268 -9.592 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.394 -6.394 -10.194 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.844 -7.245 -8.746 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.199 -6.071 -9.061 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.634 -5.346 -10.763 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.230 -4.786 -8.505 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.669 -4.047 -10.220 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.458 -3.772 -9.090 1.00 0.00 C ATOM 0 H TRP A 43 3.529 -11.006 -10.935 1.00 0.00 H new ATOM 0 HA TRP A 43 1.302 -9.261 -10.204 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.646 -9.140 -12.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.345 -7.969 -12.217 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.841 -9.281 -9.541 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.513 -7.346 -7.983 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.017 -5.545 -11.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.840 -4.579 -7.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.087 -3.259 -10.674 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.470 -2.777 -8.671 1.00 0.00 H new ATOM 670 N THR A 44 -0.229 -9.464 -12.166 1.00 0.00 N ATOM 671 CA THR A 44 -1.231 -9.567 -13.249 1.00 0.00 C ATOM 672 C THR A 44 -1.778 -8.166 -13.593 1.00 0.00 C ATOM 673 O THR A 44 -1.736 -7.272 -12.743 1.00 0.00 O ATOM 674 CB THR A 44 -2.384 -10.519 -12.851 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.905 -11.700 -12.235 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.237 -10.974 -14.037 1.00 0.00 C ATOM 0 H THR A 44 -0.509 -8.803 -11.441 1.00 0.00 H new ATOM 0 HA THR A 44 -0.745 -9.984 -14.131 1.00 0.00 H new ATOM 0 HB THR A 44 -2.988 -9.926 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.662 -12.275 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.026 -11.639 -13.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.684 -10.104 -14.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.610 -11.504 -14.754 1.00 0.00 H new ATOM 684 N TYR A 45 -2.308 -7.944 -14.803 1.00 0.00 N ATOM 685 CA TYR A 45 -2.918 -6.669 -15.229 1.00 0.00 C ATOM 686 C TYR A 45 -4.142 -6.870 -16.145 1.00 0.00 C ATOM 687 O TYR A 45 -4.116 -7.695 -17.064 1.00 0.00 O ATOM 688 CB TYR A 45 -1.860 -5.823 -15.960 1.00 0.00 C ATOM 689 CG TYR A 45 -2.368 -4.508 -16.536 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.823 -3.488 -15.679 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.379 -4.292 -17.929 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.284 -2.267 -16.204 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.833 -3.066 -18.452 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.290 -2.056 -17.590 1.00 0.00 C ATOM 695 OH TYR A 45 -3.743 -0.874 -18.092 1.00 0.00 O ATOM 0 H TYR A 45 -2.327 -8.658 -15.531 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.270 -6.159 -14.333 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.047 -5.608 -15.266 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.439 -6.418 -16.770 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.818 -3.644 -14.610 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.038 -5.069 -18.597 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.634 -1.491 -15.539 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.830 -2.902 -19.519 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.019 -0.999 -19.024 1.00 0.00 H new ATOM 705 N ASP A 46 -5.198 -6.084 -15.907 1.00 0.00 N ATOM 706 CA ASP A 46 -6.404 -5.941 -16.737 1.00 0.00 C ATOM 707 C ASP A 46 -6.543 -4.498 -17.245 1.00 0.00 C ATOM 708 O ASP A 46 -6.824 -3.579 -16.468 1.00 0.00 O ATOM 709 CB ASP A 46 -7.649 -6.367 -15.933 1.00 0.00 C ATOM 710 CG ASP A 46 -7.718 -7.884 -15.663 1.00 0.00 C ATOM 711 OD1 ASP A 46 -8.133 -8.640 -16.576 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.389 -8.321 -14.533 1.00 0.00 O ATOM 0 H ASP A 46 -5.238 -5.492 -15.077 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.314 -6.593 -17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.656 -5.836 -14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.544 -6.061 -16.475 1.00 0.00 H new ATOM 717 N ASP A 47 -6.348 -4.280 -18.551 1.00 0.00 N ATOM 718 CA ASP A 47 -6.438 -2.948 -19.184 1.00 0.00 C ATOM 719 C ASP A 47 -7.875 -2.432 -19.303 1.00 0.00 C ATOM 720 O ASP A 47 -8.122 -1.232 -19.187 1.00 0.00 O ATOM 721 CB ASP A 47 -5.783 -2.990 -20.575 1.00 0.00 C ATOM 722 CG ASP A 47 -5.549 -1.577 -21.140 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.591 -0.908 -20.685 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.332 -1.136 -22.017 1.00 0.00 O ATOM 0 H ASP A 47 -6.121 -5.026 -19.208 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.908 -2.253 -18.534 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.832 -3.519 -20.513 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.417 -3.554 -21.259 1.00 0.00 H new ATOM 729 N ALA A 48 -8.830 -3.352 -19.436 1.00 0.00 N ATOM 730 CA ALA A 48 -10.277 -3.084 -19.447 1.00 0.00 C ATOM 731 C ALA A 48 -10.756 -2.260 -18.237 1.00 0.00 C ATOM 732 O ALA A 48 -11.781 -1.574 -18.289 1.00 0.00 O ATOM 733 CB ALA A 48 -11.003 -4.432 -19.428 1.00 0.00 C ATOM 0 H ALA A 48 -8.614 -4.343 -19.543 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.497 -2.499 -20.340 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.080 -4.265 -19.436 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.719 -5.011 -20.307 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.727 -4.981 -18.528 1.00 0.00 H new ATOM 739 N THR A 49 -10.000 -2.351 -17.145 1.00 0.00 N ATOM 740 CA THR A 49 -10.299 -1.793 -15.827 1.00 0.00 C ATOM 741 C THR A 49 -9.132 -0.957 -15.263 1.00 0.00 C ATOM 742 O THR A 49 -9.154 -0.583 -14.088 1.00 0.00 O ATOM 743 CB THR A 49 -10.673 -2.938 -14.864 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.549 -3.727 -14.551 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.731 -3.895 -15.420 1.00 0.00 C ATOM 0 H THR A 49 -9.108 -2.846 -17.157 1.00 0.00 H new ATOM 0 HA THR A 49 -11.142 -1.110 -15.931 1.00 0.00 H new ATOM 0 HB THR A 49 -11.074 -2.430 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.813 -4.444 -13.938 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.941 -4.672 -14.685 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.646 -3.342 -15.634 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.361 -4.353 -16.337 1.00 0.00 H new ATOM 753 N LYS A 50 -8.095 -0.668 -16.071 1.00 0.00 N ATOM 754 CA LYS A 50 -6.824 -0.034 -15.675 1.00 0.00 C ATOM 755 C LYS A 50 -6.285 -0.487 -14.296 1.00 0.00 C ATOM 756 O LYS A 50 -5.853 0.326 -13.473 1.00 0.00 O ATOM 757 CB LYS A 50 -6.941 1.497 -15.830 1.00 0.00 C ATOM 758 CG LYS A 50 -7.378 1.969 -17.232 1.00 0.00 C ATOM 759 CD LYS A 50 -6.429 1.489 -18.344 1.00 0.00 C ATOM 760 CE LYS A 50 -6.784 2.013 -19.740 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.036 1.424 -20.259 1.00 0.00 N ATOM 0 H LYS A 50 -8.123 -0.881 -17.068 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.052 -0.387 -16.358 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.656 1.870 -15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.977 1.948 -15.593 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.384 1.604 -17.436 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.425 3.058 -17.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.413 1.799 -18.099 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.433 0.399 -18.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.883 3.098 -19.704 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.968 1.790 -20.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.005 1.404 -21.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.140 0.455 -19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.845 1.999 -19.948 1.00 0.00 H new ATOM 775 N THR A 51 -6.339 -1.796 -14.027 1.00 0.00 N ATOM 776 CA THR A 51 -6.055 -2.366 -12.694 1.00 0.00 C ATOM 777 C THR A 51 -4.998 -3.474 -12.739 1.00 0.00 C ATOM 778 O THR A 51 -5.043 -4.385 -13.568 1.00 0.00 O ATOM 779 CB THR A 51 -7.337 -2.884 -12.009 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.283 -1.850 -11.833 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.090 -3.448 -10.605 1.00 0.00 C ATOM 0 H THR A 51 -6.581 -2.497 -14.727 1.00 0.00 H new ATOM 0 HA THR A 51 -5.650 -1.547 -12.100 1.00 0.00 H new ATOM 0 HB THR A 51 -7.697 -3.667 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.423 -1.386 -12.685 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.033 -3.794 -10.181 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.391 -4.282 -10.666 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.670 -2.669 -9.969 1.00 0.00 H new ATOM 789 N PHE A 52 -4.058 -3.400 -11.800 1.00 0.00 N ATOM 790 CA PHE A 52 -2.979 -4.339 -11.514 1.00 0.00 C ATOM 791 C PHE A 52 -3.324 -5.175 -10.270 1.00 0.00 C ATOM 792 O PHE A 52 -3.953 -4.684 -9.329 1.00 0.00 O ATOM 793 CB PHE A 52 -1.671 -3.574 -11.264 1.00 0.00 C ATOM 794 CG PHE A 52 -1.090 -2.909 -12.493 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.222 -3.635 -13.329 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.430 -1.581 -12.817 1.00 0.00 C ATOM 797 CE1 PHE A 52 0.282 -3.044 -14.501 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.921 -0.988 -13.985 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.077 -1.727 -14.832 1.00 0.00 C ATOM 0 H PHE A 52 -4.031 -2.606 -11.161 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.855 -5.000 -12.371 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.849 -2.813 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.933 -4.265 -10.856 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.057 -4.646 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.083 -1.018 -12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.944 -3.602 -15.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.177 0.032 -14.231 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.297 -1.280 -15.741 1.00 0.00 H new ATOM 809 N THR A 53 -2.902 -6.432 -10.256 1.00 0.00 N ATOM 810 CA THR A 53 -3.046 -7.339 -9.108 1.00 0.00 C ATOM 811 C THR A 53 -1.680 -7.917 -8.723 1.00 0.00 C ATOM 812 O THR A 53 -0.853 -8.207 -9.590 1.00 0.00 O ATOM 813 CB THR A 53 -4.049 -8.469 -9.417 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.277 -7.947 -9.882 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.379 -9.333 -8.198 1.00 0.00 C ATOM 0 H THR A 53 -2.440 -6.866 -11.055 1.00 0.00 H new ATOM 0 HA THR A 53 -3.437 -6.770 -8.265 1.00 0.00 H new ATOM 0 HB THR A 53 -3.556 -9.079 -10.175 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.895 -8.684 -10.072 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.090 -10.109 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.467 -9.797 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.816 -8.710 -7.418 1.00 0.00 H new ATOM 823 N VAL A 54 -1.448 -8.082 -7.419 1.00 0.00 N ATOM 824 CA VAL A 54 -0.224 -8.643 -6.813 1.00 0.00 C ATOM 825 C VAL A 54 -0.619 -9.702 -5.781 1.00 0.00 C ATOM 826 O VAL A 54 -1.421 -9.433 -4.887 1.00 0.00 O ATOM 827 CB VAL A 54 0.649 -7.549 -6.162 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.940 -8.134 -5.570 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.066 -6.489 -7.189 1.00 0.00 C ATOM 0 H VAL A 54 -2.139 -7.817 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 54 0.375 -9.099 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 54 0.039 -7.105 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.529 -7.335 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.689 -8.872 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.519 -8.611 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.680 -5.732 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.638 -6.961 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.176 -6.020 -7.609 1.00 0.00 H new ATOM 839 N THR A 55 -0.094 -10.913 -5.948 1.00 0.00 N ATOM 840 CA THR A 55 -0.455 -12.106 -5.154 1.00 0.00 C ATOM 841 C THR A 55 0.766 -12.920 -4.689 1.00 0.00 C ATOM 842 O THR A 55 1.709 -13.094 -5.464 1.00 0.00 O ATOM 843 CB THR A 55 -1.465 -12.974 -5.933 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.627 -12.232 -6.241 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.941 -14.213 -5.173 1.00 0.00 C ATOM 0 H THR A 55 0.614 -11.107 -6.656 1.00 0.00 H new ATOM 0 HA THR A 55 -0.929 -11.754 -4.238 1.00 0.00 H new ATOM 0 HB THR A 55 -0.921 -13.289 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.255 -12.798 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.648 -14.768 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.086 -14.848 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.429 -13.907 -4.247 1.00 0.00 H new ATOM 853 N GLU A 56 0.772 -13.428 -3.445 1.00 0.00 N ATOM 854 CA GLU A 56 1.775 -14.400 -2.949 1.00 0.00 C ATOM 855 C GLU A 56 1.417 -15.831 -3.356 1.00 0.00 C ATOM 856 O GLU A 56 0.306 -16.293 -3.018 1.00 0.00 O ATOM 857 CB GLU A 56 1.935 -14.343 -1.421 1.00 0.00 C ATOM 858 CG GLU A 56 2.713 -13.105 -0.976 1.00 0.00 C ATOM 859 CD GLU A 56 3.137 -13.237 0.481 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.014 -14.079 0.778 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.585 -12.498 1.322 1.00 0.00 O ATOM 862 OXT GLU A 56 2.261 -16.482 -4.007 1.00 0.00 O ATOM 0 H GLU A 56 0.075 -13.176 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 56 2.721 -14.116 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.951 -14.341 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.451 -15.239 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.593 -12.975 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.096 -12.215 -1.102 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -3.852 -9.154 17.004 1.00 0.00 N ATOM 871 CA MET B 1 -4.997 -8.266 16.671 1.00 0.00 C ATOM 872 C MET B 1 -4.822 -7.670 15.275 1.00 0.00 C ATOM 873 O MET B 1 -3.695 -7.543 14.797 1.00 0.00 O ATOM 874 CB MET B 1 -5.180 -7.186 17.758 1.00 0.00 C ATOM 875 CG MET B 1 -6.524 -6.449 17.672 1.00 0.00 C ATOM 876 SD MET B 1 -6.863 -5.360 19.084 1.00 0.00 S ATOM 877 CE MET B 1 -8.568 -4.882 18.686 1.00 0.00 C ATOM 0 H1 MET B 1 -3.848 -9.347 18.026 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.944 -10.049 16.483 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.962 -8.688 16.737 1.00 0.00 H new ATOM 0 HA MET B 1 -5.914 -8.855 16.653 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.093 -7.652 18.740 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.371 -6.460 17.677 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.544 -5.857 16.757 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.325 -7.184 17.593 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.945 -4.206 19.454 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.589 -4.380 17.719 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.196 -5.772 18.647 1.00 0.00 H new ATOM 889 N GLN B 2 -5.927 -7.335 14.602 1.00 0.00 N ATOM 890 CA GLN B 2 -5.927 -6.658 13.292 1.00 0.00 C ATOM 891 C GLN B 2 -5.650 -5.146 13.442 1.00 0.00 C ATOM 892 O GLN B 2 -6.269 -4.479 14.275 1.00 0.00 O ATOM 893 CB GLN B 2 -7.293 -6.861 12.606 1.00 0.00 C ATOM 894 CG GLN B 2 -7.263 -6.586 11.093 1.00 0.00 C ATOM 895 CD GLN B 2 -6.994 -7.844 10.296 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.906 -8.568 9.917 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.747 -8.141 10.016 1.00 0.00 N ATOM 0 H GLN B 2 -6.865 -7.528 14.954 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.134 -7.094 12.685 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.628 -7.884 12.775 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.027 -6.204 13.073 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.216 -6.157 10.783 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.493 -5.846 10.874 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.994 -7.532 10.336 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.531 -8.981 9.479 1.00 0.00 H new ATOM 906 N TYR B 3 -4.753 -4.607 12.617 1.00 0.00 N ATOM 907 CA TYR B 3 -4.455 -3.171 12.477 1.00 0.00 C ATOM 908 C TYR B 3 -4.603 -2.695 11.018 1.00 0.00 C ATOM 909 O TYR B 3 -4.454 -3.496 10.091 1.00 0.00 O ATOM 910 CB TYR B 3 -3.044 -2.892 13.007 1.00 0.00 C ATOM 911 CG TYR B 3 -2.869 -3.145 14.496 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.574 -4.438 14.969 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.007 -2.086 15.414 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.444 -4.676 16.349 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.893 -2.328 16.797 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.623 -3.626 17.262 1.00 0.00 C ATOM 917 OH TYR B 3 -2.538 -3.871 18.598 1.00 0.00 O ATOM 0 H TYR B 3 -4.184 -5.182 11.996 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.179 -2.608 13.065 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.335 -3.513 12.460 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.789 -1.854 12.795 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.447 -5.251 14.269 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.201 -1.085 15.057 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.206 -5.667 16.706 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.013 -1.516 17.499 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.685 -3.038 19.093 1.00 0.00 H new ATOM 927 N LYS B 4 -4.838 -1.399 10.791 1.00 0.00 N ATOM 928 CA LYS B 4 -5.128 -0.824 9.464 1.00 0.00 C ATOM 929 C LYS B 4 -4.311 0.460 9.181 1.00 0.00 C ATOM 930 O LYS B 4 -3.972 1.194 10.108 1.00 0.00 O ATOM 931 CB LYS B 4 -6.649 -0.567 9.400 1.00 0.00 C ATOM 932 CG LYS B 4 -7.138 -0.103 8.019 1.00 0.00 C ATOM 933 CD LYS B 4 -8.646 0.166 7.990 1.00 0.00 C ATOM 934 CE LYS B 4 -8.997 0.692 6.594 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.417 1.069 6.466 1.00 0.00 N ATOM 0 H LYS B 4 -4.833 -0.702 11.536 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.827 -1.524 8.684 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.175 -1.481 9.674 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.913 0.187 10.142 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.605 0.804 7.734 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.893 -0.863 7.277 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.202 -0.746 8.206 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.920 0.894 8.753 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.374 1.558 6.370 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.760 -0.071 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.560 1.587 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.005 0.211 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.689 1.675 7.266 1.00 0.00 H new ATOM 949 N LEU B 5 -4.043 0.758 7.904 1.00 0.00 N ATOM 950 CA LEU B 5 -3.260 1.903 7.411 1.00 0.00 C ATOM 951 C LEU B 5 -3.989 2.619 6.257 1.00 0.00 C ATOM 952 O LEU B 5 -4.124 2.065 5.165 1.00 0.00 O ATOM 953 CB LEU B 5 -1.882 1.376 6.959 1.00 0.00 C ATOM 954 CG LEU B 5 -0.728 2.378 6.763 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.930 3.336 5.592 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.437 3.199 8.014 1.00 0.00 C ATOM 0 H LEU B 5 -4.386 0.174 7.141 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.134 2.639 8.205 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.556 0.637 7.691 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.024 0.849 6.016 1.00 0.00 H new ATOM 0 HG LEU B 5 0.127 1.739 6.539 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.075 4.009 5.521 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.021 2.766 4.667 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.838 3.918 5.751 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.385 3.887 7.815 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.325 3.766 8.292 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.162 2.532 8.831 1.00 0.00 H new ATOM 968 N ILE B 6 -4.441 3.850 6.490 1.00 0.00 N ATOM 969 CA ILE B 6 -4.988 4.764 5.471 1.00 0.00 C ATOM 970 C ILE B 6 -3.847 5.631 4.924 1.00 0.00 C ATOM 971 O ILE B 6 -3.165 6.315 5.694 1.00 0.00 O ATOM 972 CB ILE B 6 -6.089 5.671 6.074 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.148 4.831 6.822 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.712 6.550 4.967 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.269 5.645 7.476 1.00 0.00 C ATOM 0 H ILE B 6 -4.439 4.259 7.424 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.435 4.176 4.669 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.641 6.336 6.812 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.593 4.125 6.121 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.648 4.244 7.592 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.485 7.185 5.399 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.938 7.174 4.519 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.152 5.912 4.201 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.964 4.971 7.977 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.841 6.333 8.206 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.801 6.212 6.712 1.00 0.00 H new ATOM 987 N LEU B 7 -3.620 5.630 3.614 1.00 0.00 N ATOM 988 CA LEU B 7 -2.509 6.306 2.952 1.00 0.00 C ATOM 989 C LEU B 7 -3.037 7.453 2.069 1.00 0.00 C ATOM 990 O LEU B 7 -3.827 7.219 1.150 1.00 0.00 O ATOM 991 CB LEU B 7 -1.760 5.236 2.140 1.00 0.00 C ATOM 992 CG LEU B 7 -0.422 5.707 1.557 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.558 6.071 2.668 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.166 4.585 0.711 1.00 0.00 C ATOM 0 H LEU B 7 -4.229 5.139 2.959 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.827 6.764 3.668 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.580 4.372 2.779 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.401 4.901 1.324 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.594 6.594 0.948 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.499 6.402 2.229 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.139 6.874 3.275 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.737 5.198 3.295 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.118 4.907 0.290 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.324 3.704 1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.523 4.339 -0.097 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.623 8.686 2.362 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.936 9.863 1.556 1.00 0.00 C ATOM 1008 C ASN B 8 -1.609 10.490 1.070 1.00 0.00 C ATOM 1009 O ASN B 8 -0.744 10.829 1.879 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.795 10.869 2.344 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.853 10.271 3.256 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.037 10.224 2.939 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.445 9.857 4.435 1.00 0.00 N ATOM 0 H ASN B 8 -2.051 8.897 3.180 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.531 9.571 0.690 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.132 11.489 2.948 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.289 11.530 1.632 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.118 9.488 5.107 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.456 9.905 4.678 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.442 10.640 -0.240 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.230 11.184 -0.873 1.00 0.00 C ATOM 1022 C GLY B 9 -0.468 11.866 -2.226 1.00 0.00 C ATOM 1023 O GLY B 9 -1.590 11.899 -2.735 1.00 0.00 O ATOM 0 H GLY B 9 -2.161 10.382 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.227 11.903 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.487 10.375 -1.010 1.00 0.00 H new ATOM 1027 N LYS B 10 0.600 12.416 -2.813 1.00 0.00 N ATOM 1028 CA LYS B 10 0.544 13.287 -4.007 1.00 0.00 C ATOM 1029 C LYS B 10 0.923 12.557 -5.316 1.00 0.00 C ATOM 1030 O LYS B 10 0.906 13.139 -6.403 1.00 0.00 O ATOM 1031 CB LYS B 10 1.449 14.512 -3.789 1.00 0.00 C ATOM 1032 CG LYS B 10 1.113 15.278 -2.499 1.00 0.00 C ATOM 1033 CD LYS B 10 1.858 16.620 -2.454 1.00 0.00 C ATOM 1034 CE LYS B 10 1.733 17.336 -1.102 1.00 0.00 C ATOM 1035 NZ LYS B 10 0.332 17.585 -0.712 1.00 0.00 N ATOM 0 H LYS B 10 1.549 12.270 -2.470 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.492 13.602 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS B 10 2.489 14.188 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS B 10 1.354 15.185 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.038 15.451 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.385 14.676 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS B 10 2.912 16.450 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS B 10 1.471 17.270 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS B 10 2.218 16.736 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS B 10 2.266 18.286 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.309 18.070 0.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -0.127 18.181 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.174 16.679 -0.639 1.00 0.00 H new ATOM 1049 N THR B 11 1.253 11.271 -5.199 1.00 0.00 N ATOM 1050 CA THR B 11 1.623 10.352 -6.293 1.00 0.00 C ATOM 1051 C THR B 11 0.838 9.033 -6.187 1.00 0.00 C ATOM 1052 O THR B 11 0.308 8.538 -7.184 1.00 0.00 O ATOM 1053 CB THR B 11 3.140 10.068 -6.242 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.892 11.258 -6.365 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.624 9.120 -7.335 1.00 0.00 C ATOM 0 H THR B 11 1.273 10.809 -4.290 1.00 0.00 H new ATOM 0 HA THR B 11 1.373 10.824 -7.243 1.00 0.00 H new ATOM 0 HB THR B 11 3.294 9.598 -5.271 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.848 11.046 -6.327 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.699 8.968 -7.235 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.112 8.163 -7.239 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.408 9.551 -8.313 1.00 0.00 H new ATOM 1063 N LEU B 12 0.691 8.497 -4.970 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.085 7.289 -4.668 1.00 0.00 C ATOM 1065 C LEU B 12 -0.949 7.467 -3.398 1.00 0.00 C ATOM 1066 O LEU B 12 -0.547 8.135 -2.441 1.00 0.00 O ATOM 1067 CB LEU B 12 0.919 6.120 -4.596 1.00 0.00 C ATOM 1068 CG LEU B 12 0.304 4.740 -4.288 1.00 0.00 C ATOM 1069 CD1 LEU B 12 1.056 3.645 -5.039 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.378 4.411 -2.798 1.00 0.00 C ATOM 0 H LEU B 12 1.123 8.906 -4.141 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.816 7.076 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.449 6.059 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.662 6.347 -3.831 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.739 4.782 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.611 2.676 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.994 3.831 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.102 3.645 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.065 3.431 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.420 4.402 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.168 5.165 -2.231 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.132 6.851 -3.395 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.113 6.837 -2.295 1.00 0.00 C ATOM 1084 C LYS B 13 -3.679 5.417 -2.105 1.00 0.00 C ATOM 1085 O LYS B 13 -3.687 4.634 -3.056 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.277 7.794 -2.621 1.00 0.00 C ATOM 1087 CG LYS B 13 -3.861 9.262 -2.793 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.085 10.151 -3.058 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.655 11.610 -3.249 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.806 12.494 -3.521 1.00 0.00 N ATOM 0 H LYS B 13 -2.455 6.317 -4.202 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.613 7.156 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.763 7.457 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.018 7.730 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.344 9.605 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.157 9.350 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.611 9.801 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.783 10.077 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.136 11.955 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.946 11.674 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.472 13.471 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.287 12.181 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.471 12.453 -2.723 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.189 5.062 -0.923 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.749 3.719 -0.690 1.00 0.00 C ATOM 1106 C GLY B 14 -5.153 3.385 0.750 1.00 0.00 C ATOM 1107 O GLY B 14 -5.136 4.240 1.638 1.00 0.00 O ATOM 0 H GLY B 14 -4.228 5.680 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.626 3.600 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.016 2.982 -1.018 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.499 2.114 0.973 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.848 1.513 2.280 1.00 0.00 C ATOM 1113 C GLU B 15 -5.311 0.087 2.384 1.00 0.00 C ATOM 1114 O GLU B 15 -5.514 -0.719 1.472 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.370 1.454 2.489 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.014 2.825 2.687 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.518 2.666 2.863 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.955 2.348 3.991 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.259 2.863 1.874 1.00 0.00 O ATOM 0 H GLU B 15 -5.548 1.435 0.213 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.396 2.148 3.042 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.828 0.968 1.628 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.585 0.832 3.358 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.586 3.316 3.561 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.804 3.463 1.829 1.00 0.00 H new ATOM 1126 N THR B 16 -4.646 -0.235 3.493 1.00 0.00 N ATOM 1127 CA THR B 16 -4.064 -1.570 3.745 1.00 0.00 C ATOM 1128 C THR B 16 -4.312 -2.071 5.176 1.00 0.00 C ATOM 1129 O THR B 16 -4.658 -1.293 6.068 1.00 0.00 O ATOM 1130 CB THR B 16 -2.551 -1.629 3.429 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.770 -1.071 4.454 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.131 -0.894 2.158 1.00 0.00 C ATOM 0 H THR B 16 -4.490 0.425 4.255 1.00 0.00 H new ATOM 0 HA THR B 16 -4.586 -2.236 3.058 1.00 0.00 H new ATOM 0 HB THR B 16 -2.379 -2.699 3.310 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.822 -1.131 4.213 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.054 -0.991 2.020 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.647 -1.326 1.301 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.392 0.161 2.245 1.00 0.00 H new ATOM 1140 N THR B 17 -4.153 -3.374 5.409 1.00 0.00 N ATOM 1141 CA THR B 17 -4.477 -4.063 6.672 1.00 0.00 C ATOM 1142 C THR B 17 -3.478 -5.198 6.956 1.00 0.00 C ATOM 1143 O THR B 17 -3.029 -5.890 6.035 1.00 0.00 O ATOM 1144 CB THR B 17 -5.907 -4.664 6.643 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.819 -3.910 5.867 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.524 -4.778 8.033 1.00 0.00 C ATOM 0 H THR B 17 -3.782 -4.008 4.701 1.00 0.00 H new ATOM 0 HA THR B 17 -4.417 -3.312 7.460 1.00 0.00 H new ATOM 0 HB THR B 17 -5.759 -5.648 6.199 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.699 -4.340 5.887 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.524 -5.204 7.953 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.903 -5.423 8.655 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.587 -3.788 8.486 1.00 0.00 H new ATOM 1154 N THR B 18 -3.143 -5.398 8.232 1.00 0.00 N ATOM 1155 CA THR B 18 -2.204 -6.423 8.734 1.00 0.00 C ATOM 1156 C THR B 18 -2.660 -6.982 10.092 1.00 0.00 C ATOM 1157 O THR B 18 -3.540 -6.415 10.744 1.00 0.00 O ATOM 1158 CB THR B 18 -0.767 -5.861 8.848 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.176 -6.905 8.958 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.554 -4.927 10.045 1.00 0.00 C ATOM 0 H THR B 18 -3.532 -4.828 8.983 1.00 0.00 H new ATOM 0 HA THR B 18 -2.200 -7.237 8.009 1.00 0.00 H new ATOM 0 HB THR B 18 -0.625 -5.285 7.933 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.509 -7.140 8.067 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.478 -4.576 10.054 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.227 -4.073 9.965 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.762 -5.467 10.969 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.080 -8.100 10.535 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.266 -8.693 11.876 1.00 0.00 C ATOM 1170 C GLU B 19 -0.918 -8.751 12.594 1.00 0.00 C ATOM 1171 O GLU B 19 0.079 -9.210 12.036 1.00 0.00 O ATOM 1172 CB GLU B 19 -2.934 -10.073 11.783 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.280 -10.662 13.148 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.047 -11.965 12.975 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.400 -13.011 12.742 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.293 -11.941 13.092 1.00 0.00 O ATOM 0 H GLU B 19 -1.442 -8.643 9.953 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.938 -8.065 12.460 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -3.844 -9.991 11.188 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.269 -10.757 11.256 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.368 -10.840 13.718 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.878 -9.952 13.718 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.894 -8.206 13.806 1.00 0.00 N ATOM 1184 CA ALA B 20 0.296 -7.974 14.609 1.00 0.00 C ATOM 1185 C ALA B 20 0.079 -8.373 16.072 1.00 0.00 C ATOM 1186 O ALA B 20 -1.053 -8.382 16.573 1.00 0.00 O ATOM 1187 CB ALA B 20 0.656 -6.495 14.488 1.00 0.00 C ATOM 0 H ALA B 20 -1.746 -7.900 14.275 1.00 0.00 H new ATOM 0 HA ALA B 20 1.114 -8.594 14.243 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.547 -6.288 15.081 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.850 -6.252 13.443 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.172 -5.888 14.854 1.00 0.00 H new ATOM 1193 N VAL B 21 1.174 -8.660 16.773 1.00 0.00 N ATOM 1194 CA VAL B 21 1.138 -8.920 18.227 1.00 0.00 C ATOM 1195 C VAL B 21 0.725 -7.664 19.010 1.00 0.00 C ATOM 1196 O VAL B 21 -0.063 -7.768 19.954 1.00 0.00 O ATOM 1197 CB VAL B 21 2.467 -9.515 18.728 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.663 -8.656 18.321 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.495 -9.745 20.243 1.00 0.00 C ATOM 0 H VAL B 21 2.106 -8.721 16.363 1.00 0.00 H new ATOM 0 HA VAL B 21 0.371 -9.672 18.412 1.00 0.00 H new ATOM 0 HB VAL B 21 2.543 -10.489 18.244 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.581 -9.110 18.694 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.708 -8.586 17.234 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.555 -7.657 18.744 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.459 -10.165 20.529 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.346 -8.796 20.758 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.700 -10.437 20.521 1.00 0.00 H new ATOM 1209 N ASP B 22 1.168 -6.469 18.587 1.00 0.00 N ATOM 1210 CA ASP B 22 0.764 -5.166 19.131 1.00 0.00 C ATOM 1211 C ASP B 22 0.975 -4.048 18.093 1.00 0.00 C ATOM 1212 O ASP B 22 1.598 -4.236 17.042 1.00 0.00 O ATOM 1213 CB ASP B 22 1.600 -4.865 20.399 1.00 0.00 C ATOM 1214 CG ASP B 22 1.127 -3.670 21.257 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.087 -3.358 21.263 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.987 -3.029 21.906 1.00 0.00 O ATOM 0 H ASP B 22 1.843 -6.383 17.827 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.296 -5.203 19.382 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.606 -5.757 21.026 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.631 -4.683 20.095 1.00 0.00 H new ATOM 1221 N ALA B 23 0.503 -2.865 18.457 1.00 0.00 N ATOM 1222 CA ALA B 23 0.539 -1.630 17.672 1.00 0.00 C ATOM 1223 C ALA B 23 1.951 -1.267 17.168 1.00 0.00 C ATOM 1224 O ALA B 23 2.090 -0.719 16.080 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.063 -0.499 18.515 1.00 0.00 C ATOM 0 H ALA B 23 0.056 -2.728 19.364 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.053 -1.783 16.770 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.044 0.430 17.945 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.093 -0.746 18.772 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.520 -0.376 19.428 1.00 0.00 H new ATOM 1231 N ALA B 24 3.001 -1.636 17.906 1.00 0.00 N ATOM 1232 CA ALA B 24 4.393 -1.397 17.552 1.00 0.00 C ATOM 1233 C ALA B 24 4.919 -2.392 16.497 1.00 0.00 C ATOM 1234 O ALA B 24 5.806 -2.048 15.719 1.00 0.00 O ATOM 1235 CB ALA B 24 5.246 -1.450 18.825 1.00 0.00 C ATOM 0 H ALA B 24 2.897 -2.125 18.795 1.00 0.00 H new ATOM 0 HA ALA B 24 4.462 -0.409 17.096 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.291 -1.272 18.571 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.907 -0.684 19.522 1.00 0.00 H new ATOM 0 HB3 ALA B 24 5.147 -2.432 19.288 1.00 0.00 H new ATOM 1241 N THR B 25 4.358 -3.605 16.418 1.00 0.00 N ATOM 1242 CA THR B 25 4.632 -4.557 15.322 1.00 0.00 C ATOM 1243 C THR B 25 3.816 -4.207 14.072 1.00 0.00 C ATOM 1244 O THR B 25 4.363 -4.212 12.971 1.00 0.00 O ATOM 1245 CB THR B 25 4.381 -6.002 15.758 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.233 -6.314 16.838 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.644 -7.038 14.664 1.00 0.00 C ATOM 0 H THR B 25 3.699 -3.959 17.111 1.00 0.00 H new ATOM 0 HA THR B 25 5.689 -4.471 15.068 1.00 0.00 H new ATOM 0 HB THR B 25 3.325 -6.054 16.022 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.445 -7.271 16.821 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.443 -8.036 15.053 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.992 -6.842 13.813 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.685 -6.975 14.346 1.00 0.00 H new ATOM 1255 N ALA B 26 2.553 -3.785 14.207 1.00 0.00 N ATOM 1256 CA ALA B 26 1.798 -3.231 13.069 1.00 0.00 C ATOM 1257 C ALA B 26 2.466 -1.966 12.483 1.00 0.00 C ATOM 1258 O ALA B 26 2.598 -1.830 11.267 1.00 0.00 O ATOM 1259 CB ALA B 26 0.365 -2.946 13.506 1.00 0.00 C ATOM 0 H ALA B 26 2.033 -3.815 15.084 1.00 0.00 H new ATOM 0 HA ALA B 26 1.792 -3.972 12.269 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.197 -2.536 12.667 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.105 -3.871 13.839 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.371 -2.227 14.325 1.00 0.00 H new ATOM 1265 N GLU B 27 2.994 -1.111 13.370 1.00 0.00 N ATOM 1266 CA GLU B 27 3.856 0.031 12.988 1.00 0.00 C ATOM 1267 C GLU B 27 5.142 -0.433 12.319 1.00 0.00 C ATOM 1268 O GLU B 27 5.544 0.154 11.320 1.00 0.00 O ATOM 1269 CB GLU B 27 4.246 0.953 14.151 1.00 0.00 C ATOM 1270 CG GLU B 27 3.183 2.007 14.433 1.00 0.00 C ATOM 1271 CD GLU B 27 3.776 3.110 15.295 1.00 0.00 C ATOM 1272 OE1 GLU B 27 4.436 4.001 14.716 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.586 3.083 16.531 1.00 0.00 O ATOM 0 H GLU B 27 2.839 -1.187 14.375 1.00 0.00 H new ATOM 0 HA GLU B 27 3.236 0.601 12.296 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.408 0.355 15.048 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.191 1.445 13.921 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.811 2.423 13.497 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.332 1.553 14.940 1.00 0.00 H new ATOM 1280 N LYS B 28 5.760 -1.507 12.810 1.00 0.00 N ATOM 1281 CA LYS B 28 6.951 -2.082 12.158 1.00 0.00 C ATOM 1282 C LYS B 28 6.650 -2.594 10.731 1.00 0.00 C ATOM 1283 O LYS B 28 7.421 -2.323 9.806 1.00 0.00 O ATOM 1284 CB LYS B 28 7.560 -3.177 13.053 1.00 0.00 C ATOM 1285 CG LYS B 28 8.922 -3.686 12.557 1.00 0.00 C ATOM 1286 CD LYS B 28 9.502 -4.697 13.560 1.00 0.00 C ATOM 1287 CE LYS B 28 10.855 -5.229 13.077 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.440 -6.187 14.040 1.00 0.00 N ATOM 0 H LYS B 28 5.463 -1.999 13.652 1.00 0.00 H new ATOM 0 HA LYS B 28 7.689 -1.289 12.036 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.673 -2.787 14.065 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.866 -4.016 13.110 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.810 -4.154 11.579 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.609 -2.849 12.433 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.620 -4.223 14.534 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.806 -5.526 13.691 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.731 -5.715 12.109 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.542 -4.396 12.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.355 -6.526 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.582 -5.716 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.795 -6.994 14.162 1.00 0.00 H new ATOM 1302 N VAL B 29 5.513 -3.271 10.515 1.00 0.00 N ATOM 1303 CA VAL B 29 5.036 -3.641 9.163 1.00 0.00 C ATOM 1304 C VAL B 29 4.771 -2.400 8.295 1.00 0.00 C ATOM 1305 O VAL B 29 5.339 -2.276 7.211 1.00 0.00 O ATOM 1306 CB VAL B 29 3.776 -4.536 9.220 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.218 -4.843 7.822 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.092 -5.885 9.880 1.00 0.00 C ATOM 0 H VAL B 29 4.896 -3.579 11.266 1.00 0.00 H new ATOM 0 HA VAL B 29 5.837 -4.217 8.699 1.00 0.00 H new ATOM 0 HB VAL B 29 3.041 -3.977 9.798 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.334 -5.474 7.914 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.949 -3.911 7.325 1.00 0.00 H new ATOM 0 HG13 VAL B 29 3.975 -5.362 7.234 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.190 -6.496 9.908 1.00 0.00 H new ATOM 0 HG22 VAL B 29 4.862 -6.400 9.305 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.449 -5.718 10.896 1.00 0.00 H new ATOM 1318 N PHE B 30 3.961 -1.448 8.760 1.00 0.00 N ATOM 1319 CA PHE B 30 3.597 -0.269 7.961 1.00 0.00 C ATOM 1320 C PHE B 30 4.797 0.642 7.610 1.00 0.00 C ATOM 1321 O PHE B 30 4.871 1.168 6.497 1.00 0.00 O ATOM 1322 CB PHE B 30 2.486 0.526 8.662 1.00 0.00 C ATOM 1323 CG PHE B 30 1.189 -0.228 8.933 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.625 -1.085 7.964 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.524 -0.046 10.163 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.587 -1.751 8.223 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.693 -0.704 10.416 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.252 -1.547 9.443 1.00 0.00 C ATOM 0 H PHE B 30 3.541 -1.468 9.689 1.00 0.00 H new ATOM 0 HA PHE B 30 3.227 -0.645 7.007 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.874 0.893 9.612 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.254 1.400 8.054 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.126 -1.230 7.019 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.951 0.602 10.914 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.006 -2.418 7.484 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.198 -0.560 11.360 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.194 -2.039 9.633 1.00 0.00 H new ATOM 1338 N LYS B 31 5.788 0.769 8.500 1.00 0.00 N ATOM 1339 CA LYS B 31 7.052 1.449 8.178 1.00 0.00 C ATOM 1340 C LYS B 31 7.887 0.704 7.113 1.00 0.00 C ATOM 1341 O LYS B 31 8.661 1.338 6.400 1.00 0.00 O ATOM 1342 CB LYS B 31 7.903 1.696 9.442 1.00 0.00 C ATOM 1343 CG LYS B 31 7.676 3.079 10.080 1.00 0.00 C ATOM 1344 CD LYS B 31 6.356 3.231 10.849 1.00 0.00 C ATOM 1345 CE LYS B 31 6.212 4.681 11.327 1.00 0.00 C ATOM 1346 NZ LYS B 31 4.973 4.896 12.099 1.00 0.00 N ATOM 0 H LYS B 31 5.740 0.409 9.453 1.00 0.00 H new ATOM 0 HA LYS B 31 6.767 2.411 7.751 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.677 0.925 10.178 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.957 1.593 9.185 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.501 3.288 10.760 1.00 0.00 H new ATOM 0 HG3 LYS B 31 7.711 3.834 9.295 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.516 2.962 10.209 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.338 2.552 11.701 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.072 4.945 11.943 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.221 5.348 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.006 5.830 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.154 4.852 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.884 4.158 12.826 1.00 0.00 H new ATOM 1360 N GLN B 32 7.734 -0.614 6.951 1.00 0.00 N ATOM 1361 CA GLN B 32 8.443 -1.390 5.917 1.00 0.00 C ATOM 1362 C GLN B 32 8.008 -1.021 4.485 1.00 0.00 C ATOM 1363 O GLN B 32 8.845 -0.948 3.585 1.00 0.00 O ATOM 1364 CB GLN B 32 8.265 -2.901 6.178 1.00 0.00 C ATOM 1365 CG GLN B 32 9.590 -3.672 6.223 1.00 0.00 C ATOM 1366 CD GLN B 32 10.555 -3.178 7.287 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.737 -2.990 7.027 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.109 -2.955 8.506 1.00 0.00 N ATOM 0 H GLN B 32 7.114 -1.178 7.532 1.00 0.00 H new ATOM 0 HA GLN B 32 9.500 -1.133 5.988 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.740 -3.039 7.123 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.633 -3.325 5.398 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.379 -4.727 6.399 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.073 -3.602 5.248 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.125 -3.111 8.726 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.747 -2.627 9.231 1.00 0.00 H new ATOM 1377 N TYR B 33 6.716 -0.743 4.275 1.00 0.00 N ATOM 1378 CA TYR B 33 6.155 -0.306 2.982 1.00 0.00 C ATOM 1379 C TYR B 33 6.100 1.226 2.787 1.00 0.00 C ATOM 1380 O TYR B 33 6.186 1.702 1.653 1.00 0.00 O ATOM 1381 CB TYR B 33 4.738 -0.883 2.823 1.00 0.00 C ATOM 1382 CG TYR B 33 4.660 -2.397 2.703 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.672 -3.202 3.860 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.528 -3.006 1.438 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.545 -4.599 3.758 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.396 -4.404 1.338 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.394 -5.196 2.496 1.00 0.00 C ATOM 1388 OH TYR B 33 4.226 -6.541 2.395 1.00 0.00 O ATOM 0 H TYR B 33 6.014 -0.816 5.011 1.00 0.00 H new ATOM 0 HA TYR B 33 6.835 -0.684 2.219 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.139 -0.572 3.679 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.281 -0.441 1.937 1.00 0.00 H new ATOM 0 HD1 TYR B 33 4.779 -2.743 4.832 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.528 -2.399 0.545 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.564 -5.211 4.648 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.296 -4.868 0.368 1.00 0.00 H new ATOM 0 HH TYR B 33 3.368 -6.732 1.962 1.00 0.00 H new ATOM 1398 N PHE B 34 5.996 1.999 3.876 1.00 0.00 N ATOM 1399 CA PHE B 34 5.713 3.451 3.823 1.00 0.00 C ATOM 1400 C PHE B 34 6.757 4.378 4.492 1.00 0.00 C ATOM 1401 O PHE B 34 6.452 5.524 4.825 1.00 0.00 O ATOM 1402 CB PHE B 34 4.271 3.697 4.317 1.00 0.00 C ATOM 1403 CG PHE B 34 3.228 2.774 3.697 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.098 2.691 2.296 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.428 1.950 4.515 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.205 1.769 1.719 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.527 1.036 3.938 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.422 0.942 2.540 1.00 0.00 C ATOM 0 H PHE B 34 6.105 1.640 4.824 1.00 0.00 H new ATOM 0 HA PHE B 34 5.804 3.747 2.778 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.246 3.578 5.400 1.00 0.00 H new ATOM 0 HB3 PHE B 34 3.998 4.730 4.103 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.686 3.338 1.662 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.507 2.021 5.590 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.122 1.698 0.645 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.917 0.407 4.569 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.738 0.233 2.097 1.00 0.00 H new ATOM 1418 N ASN B 35 8.000 3.913 4.670 1.00 0.00 N ATOM 1419 CA ASN B 35 9.131 4.715 5.179 1.00 0.00 C ATOM 1420 C ASN B 35 9.405 6.037 4.404 1.00 0.00 C ATOM 1421 O ASN B 35 9.260 7.125 4.970 1.00 0.00 O ATOM 1422 CB ASN B 35 10.397 3.834 5.272 1.00 0.00 C ATOM 1423 CG ASN B 35 10.650 2.941 4.061 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.020 3.388 2.983 1.00 0.00 O ATOM 1425 ND2 ASN B 35 10.417 1.655 4.194 1.00 0.00 N ATOM 0 H ASN B 35 8.258 2.949 4.461 1.00 0.00 H new ATOM 0 HA ASN B 35 8.839 5.051 6.174 1.00 0.00 H new ATOM 0 HB2 ASN B 35 11.262 4.481 5.415 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.320 3.205 6.159 1.00 0.00 H new ATOM 0 HD21 ASN B 35 10.544 1.029 3.399 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.109 1.283 5.092 1.00 0.00 H new ATOM 1432 N ASP B 36 9.811 5.948 3.129 1.00 0.00 N ATOM 1433 CA ASP B 36 10.268 7.064 2.267 1.00 0.00 C ATOM 1434 C ASP B 36 10.263 6.715 0.760 1.00 0.00 C ATOM 1435 O ASP B 36 11.042 7.246 -0.034 1.00 0.00 O ATOM 1436 CB ASP B 36 11.648 7.575 2.741 1.00 0.00 C ATOM 1437 CG ASP B 36 12.775 6.516 2.781 1.00 0.00 C ATOM 1438 OD1 ASP B 36 13.361 6.192 1.719 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.117 6.046 3.894 1.00 0.00 O ATOM 0 H ASP B 36 9.833 5.053 2.640 1.00 0.00 H new ATOM 0 HA ASP B 36 9.544 7.872 2.374 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.960 8.387 2.084 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.536 7.998 3.739 1.00 0.00 H new ATOM 1444 N ASN B 37 9.342 5.833 0.366 1.00 0.00 N ATOM 1445 CA ASN B 37 9.122 5.507 -1.055 1.00 0.00 C ATOM 1446 C ASN B 37 8.546 6.704 -1.857 1.00 0.00 C ATOM 1447 O ASN B 37 8.898 6.909 -3.022 1.00 0.00 O ATOM 1448 CB ASN B 37 8.272 4.228 -1.160 1.00 0.00 C ATOM 1449 CG ASN B 37 9.075 2.999 -0.750 1.00 0.00 C ATOM 1450 OD1 ASN B 37 10.175 2.759 -1.234 1.00 0.00 O ATOM 1451 ND2 ASN B 37 8.572 2.186 0.156 1.00 0.00 N ATOM 0 H ASN B 37 8.732 5.328 1.009 1.00 0.00 H new ATOM 0 HA ASN B 37 10.084 5.306 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN B 37 7.392 4.320 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.915 4.108 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN B 37 9.097 1.363 0.451 1.00 0.00 H new ATOM 0 HD22 ASN B 37 7.657 2.380 0.563 1.00 0.00 H new ATOM 1458 N GLY B 38 7.712 7.528 -1.211 1.00 0.00 N ATOM 1459 CA GLY B 38 7.184 8.793 -1.767 1.00 0.00 C ATOM 1460 C GLY B 38 6.054 9.462 -0.968 1.00 0.00 C ATOM 1461 O GLY B 38 5.233 10.180 -1.540 1.00 0.00 O ATOM 0 H GLY B 38 7.375 7.336 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.009 9.501 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY B 38 6.822 8.600 -2.777 1.00 0.00 H new ATOM 1465 N VAL B 39 5.962 9.176 0.336 1.00 0.00 N ATOM 1466 CA VAL B 39 4.832 9.547 1.221 1.00 0.00 C ATOM 1467 C VAL B 39 5.261 9.576 2.705 1.00 0.00 C ATOM 1468 O VAL B 39 4.568 9.120 3.614 1.00 0.00 O ATOM 1469 CB VAL B 39 3.617 8.640 0.921 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.882 7.163 1.242 1.00 0.00 C ATOM 1471 CG2 VAL B 39 2.301 9.117 1.548 1.00 0.00 C ATOM 0 H VAL B 39 6.693 8.663 0.829 1.00 0.00 H new ATOM 0 HA VAL B 39 4.515 10.568 1.010 1.00 0.00 H new ATOM 0 HB VAL B 39 3.483 8.726 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.993 6.575 1.011 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.719 6.805 0.643 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.122 7.058 2.300 1.00 0.00 H new ATOM 0 HG21 VAL B 39 1.501 8.423 1.288 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.408 9.157 2.632 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.057 10.110 1.171 1.00 0.00 H new ATOM 1481 N ASP B 40 6.463 10.111 2.944 1.00 0.00 N ATOM 1482 CA ASP B 40 7.114 10.386 4.247 1.00 0.00 C ATOM 1483 C ASP B 40 6.404 11.475 5.093 1.00 0.00 C ATOM 1484 O ASP B 40 7.025 12.395 5.629 1.00 0.00 O ATOM 1485 CB ASP B 40 8.607 10.703 4.000 1.00 0.00 C ATOM 1486 CG ASP B 40 8.884 11.989 3.182 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.401 12.090 2.028 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.632 12.872 3.671 1.00 0.00 O ATOM 0 H ASP B 40 7.065 10.390 2.169 1.00 0.00 H new ATOM 0 HA ASP B 40 7.029 9.489 4.860 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.107 10.791 4.964 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.060 9.858 3.482 1.00 0.00 H new ATOM 1493 N GLY B 41 5.079 11.391 5.162 1.00 0.00 N ATOM 1494 CA GLY B 41 4.161 12.389 5.713 1.00 0.00 C ATOM 1495 C GLY B 41 3.910 12.324 7.223 1.00 0.00 C ATOM 1496 O GLY B 41 4.596 11.622 7.969 1.00 0.00 O ATOM 0 H GLY B 41 4.583 10.571 4.812 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.549 13.379 5.474 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.203 12.290 5.203 1.00 0.00 H new ATOM 1500 N GLU B 42 2.901 13.078 7.673 1.00 0.00 N ATOM 1501 CA GLU B 42 2.409 13.095 9.067 1.00 0.00 C ATOM 1502 C GLU B 42 1.662 11.802 9.406 1.00 0.00 C ATOM 1503 O GLU B 42 0.603 11.532 8.839 1.00 0.00 O ATOM 1504 CB GLU B 42 1.496 14.312 9.288 1.00 0.00 C ATOM 1505 CG GLU B 42 1.036 14.451 10.739 1.00 0.00 C ATOM 1506 CD GLU B 42 0.280 15.760 10.920 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.937 15.794 10.628 1.00 0.00 O ATOM 1508 OE2 GLU B 42 0.904 16.751 11.362 1.00 0.00 O ATOM 0 H GLU B 42 2.385 13.714 7.065 1.00 0.00 H new ATOM 0 HA GLU B 42 3.270 13.169 9.731 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.026 15.217 8.991 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.623 14.228 8.641 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.396 13.611 11.009 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.897 14.423 11.407 1.00 0.00 H new ATOM 1515 N TRP B 43 2.200 11.013 10.336 1.00 0.00 N ATOM 1516 CA TRP B 43 1.538 9.824 10.889 1.00 0.00 C ATOM 1517 C TRP B 43 0.565 10.199 12.031 1.00 0.00 C ATOM 1518 O TRP B 43 0.841 11.089 12.841 1.00 0.00 O ATOM 1519 CB TRP B 43 2.591 8.816 11.380 1.00 0.00 C ATOM 1520 CG TRP B 43 3.384 8.121 10.308 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.367 8.682 9.568 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.293 6.734 9.846 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.873 7.760 8.675 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.252 6.538 8.804 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.504 5.617 10.205 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.422 5.307 8.156 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.671 4.373 9.563 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.622 4.219 8.538 1.00 0.00 C ATOM 0 H TRP B 43 3.123 11.182 10.735 1.00 0.00 H new ATOM 0 HA TRP B 43 0.949 9.363 10.096 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.286 9.337 12.039 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.088 8.059 11.982 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.706 9.703 9.662 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.614 7.959 8.003 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.762 5.718 10.983 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.158 5.197 7.374 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.064 3.531 9.861 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.736 3.265 8.046 1.00 0.00 H new ATOM 1539 N THR B 44 -0.573 9.511 12.097 1.00 0.00 N ATOM 1540 CA THR B 44 -1.654 9.659 13.098 1.00 0.00 C ATOM 1541 C THR B 44 -2.173 8.265 13.506 1.00 0.00 C ATOM 1542 O THR B 44 -2.065 7.333 12.702 1.00 0.00 O ATOM 1543 CB THR B 44 -2.825 10.471 12.497 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.374 11.597 11.771 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.821 10.985 13.538 1.00 0.00 C ATOM 0 H THR B 44 -0.789 8.786 11.413 1.00 0.00 H new ATOM 0 HA THR B 44 -1.258 10.180 13.969 1.00 0.00 H new ATOM 0 HB THR B 44 -3.325 9.756 11.843 1.00 0.00 H new ATOM 0 HG1 THR B 44 -3.144 12.081 11.407 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.612 11.544 13.039 1.00 0.00 H new ATOM 0 HG22 THR B 44 -4.255 10.141 14.074 1.00 0.00 H new ATOM 0 HG23 THR B 44 -3.306 11.636 14.244 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.766 8.086 14.696 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.321 6.800 15.169 1.00 0.00 C ATOM 1555 C TYR B 45 -4.622 6.955 15.991 1.00 0.00 C ATOM 1556 O TYR B 45 -4.754 7.874 16.805 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.259 6.088 16.023 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.733 4.832 16.743 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.023 3.662 16.016 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.891 4.832 18.144 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.436 2.495 16.684 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.314 3.666 18.809 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.580 2.495 18.080 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.975 1.360 18.721 1.00 0.00 O ATOM 0 H TYR B 45 -2.877 8.842 15.372 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.580 6.216 14.286 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.419 5.823 15.381 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.883 6.792 16.766 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.928 3.660 14.940 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.687 5.730 18.709 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.643 1.597 16.121 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.434 3.672 19.882 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.481 1.598 19.526 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.561 6.024 15.790 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.831 5.839 16.515 1.00 0.00 C ATOM 1576 C ASP B 46 -6.887 4.484 17.224 1.00 0.00 C ATOM 1577 O ASP B 46 -6.813 3.440 16.568 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.986 5.897 15.510 1.00 0.00 C ATOM 1579 CG ASP B 46 -9.349 6.021 16.193 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.773 7.151 16.533 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.985 4.962 16.371 1.00 0.00 O ATOM 0 H ASP B 46 -5.447 5.322 15.058 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.909 6.628 17.263 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.840 6.745 14.841 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.972 4.998 14.893 1.00 0.00 H new ATOM 1586 N ASP B 47 -7.034 4.455 18.552 1.00 0.00 N ATOM 1587 CA ASP B 47 -7.032 3.213 19.342 1.00 0.00 C ATOM 1588 C ASP B 47 -8.398 2.509 19.357 1.00 0.00 C ATOM 1589 O ASP B 47 -8.469 1.284 19.392 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.554 3.557 20.764 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.146 2.312 21.564 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.162 1.642 21.165 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.836 1.969 22.550 1.00 0.00 O ATOM 0 H ASP B 47 -7.159 5.296 19.116 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.353 2.499 18.877 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.707 4.240 20.704 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -7.349 4.081 21.294 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.483 3.277 19.251 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.874 2.778 19.158 1.00 0.00 C ATOM 1600 C ALA B 48 -11.149 1.902 17.921 1.00 0.00 C ATOM 1601 O ALA B 48 -12.148 1.181 17.845 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.824 3.974 19.074 1.00 0.00 C ATOM 0 H ALA B 48 -9.427 4.295 19.226 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.030 2.164 20.045 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.852 3.618 19.005 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.713 4.591 19.966 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.585 4.567 18.191 1.00 0.00 H new ATOM 1608 N THR B 49 -10.251 2.031 16.949 1.00 0.00 N ATOM 1609 CA THR B 49 -10.319 1.340 15.663 1.00 0.00 C ATOM 1610 C THR B 49 -9.038 0.595 15.261 1.00 0.00 C ATOM 1611 O THR B 49 -9.048 -0.144 14.275 1.00 0.00 O ATOM 1612 CB THR B 49 -10.819 2.303 14.579 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.868 3.300 14.312 1.00 0.00 O ATOM 1614 CG2 THR B 49 -12.141 2.992 14.923 1.00 0.00 C ATOM 0 H THR B 49 -9.434 2.635 17.035 1.00 0.00 H new ATOM 0 HA THR B 49 -11.045 0.535 15.779 1.00 0.00 H new ATOM 0 HB THR B 49 -10.984 1.674 13.704 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.713 3.830 15.122 1.00 0.00 H new ATOM 0 HG21 THR B 49 -12.428 3.656 14.108 1.00 0.00 H new ATOM 0 HG22 THR B 49 -12.916 2.240 15.068 1.00 0.00 H new ATOM 0 HG23 THR B 49 -12.022 3.571 15.838 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.947 0.726 16.034 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.622 0.175 15.714 1.00 0.00 C ATOM 1624 C LYS B 50 -6.138 0.626 14.324 1.00 0.00 C ATOM 1625 O LYS B 50 -5.563 -0.146 13.548 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.580 -1.351 15.936 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.041 -1.834 17.318 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.400 -1.077 18.488 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.863 -1.673 19.823 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.819 -0.685 20.915 1.00 0.00 N ATOM 0 H LYS B 50 -7.964 1.231 16.920 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.898 0.591 16.415 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.202 -1.827 15.178 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.559 -1.696 15.773 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.124 -1.734 17.384 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -6.812 -2.895 17.416 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.314 -1.132 18.414 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.670 -0.022 18.439 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.880 -2.051 19.718 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.231 -2.524 20.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.025 -1.157 21.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.873 -0.255 20.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.528 0.056 20.742 1.00 0.00 H new ATOM 1644 N THR B 51 -6.392 1.898 14.006 1.00 0.00 N ATOM 1645 CA THR B 51 -6.172 2.435 12.648 1.00 0.00 C ATOM 1646 C THR B 51 -5.103 3.519 12.667 1.00 0.00 C ATOM 1647 O THR B 51 -5.088 4.381 13.545 1.00 0.00 O ATOM 1648 CB THR B 51 -7.458 3.031 12.040 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.543 2.138 12.118 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.313 3.417 10.566 1.00 0.00 C ATOM 0 H THR B 51 -6.752 2.583 14.670 1.00 0.00 H new ATOM 0 HA THR B 51 -5.851 1.594 12.033 1.00 0.00 H new ATOM 0 HB THR B 51 -7.641 3.925 12.637 1.00 0.00 H new ATOM 0 HG1 THR B 51 -9.171 2.445 12.805 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.255 3.829 10.203 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.526 4.164 10.461 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.055 2.533 9.982 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.223 3.505 11.673 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.170 4.481 11.429 1.00 0.00 C ATOM 1660 C PHE B 52 -3.493 5.253 10.142 1.00 0.00 C ATOM 1661 O PHE B 52 -4.059 4.692 9.199 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.821 3.766 11.296 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.309 3.136 12.576 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.664 1.814 12.908 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.471 3.873 13.434 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.170 1.226 14.086 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.010 3.288 14.619 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.338 1.965 14.943 1.00 0.00 C ATOM 0 H PHE B 52 -4.227 2.764 10.972 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.111 5.179 12.264 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.910 2.990 10.536 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.080 4.481 10.937 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.316 1.251 12.257 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.198 4.887 13.182 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.430 0.207 14.332 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.647 3.856 15.281 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.035 1.516 15.852 1.00 0.00 H new ATOM 1678 N THR B 53 -3.144 6.533 10.094 1.00 0.00 N ATOM 1679 CA THR B 53 -3.366 7.400 8.926 1.00 0.00 C ATOM 1680 C THR B 53 -2.087 8.176 8.603 1.00 0.00 C ATOM 1681 O THR B 53 -1.457 8.733 9.502 1.00 0.00 O ATOM 1682 CB THR B 53 -4.535 8.376 9.171 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.710 7.683 9.538 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.881 9.221 7.942 1.00 0.00 C ATOM 0 H THR B 53 -2.692 7.012 10.873 1.00 0.00 H new ATOM 0 HA THR B 53 -3.628 6.769 8.076 1.00 0.00 H new ATOM 0 HB THR B 53 -4.192 9.029 9.973 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.435 8.325 9.689 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.711 9.886 8.180 1.00 0.00 H new ATOM 0 HG22 THR B 53 -4.013 9.813 7.651 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.166 8.566 7.119 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.707 8.217 7.324 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.480 8.877 6.814 1.00 0.00 C ATOM 1694 C VAL B 54 -0.861 9.872 5.718 1.00 0.00 C ATOM 1695 O VAL B 54 -1.607 9.511 4.808 1.00 0.00 O ATOM 1696 CB VAL B 54 0.545 7.853 6.285 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.887 8.531 5.977 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.808 6.744 7.307 1.00 0.00 C ATOM 0 H VAL B 54 -2.255 7.781 6.583 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.005 9.405 7.641 1.00 0.00 H new ATOM 0 HB VAL B 54 0.117 7.426 5.378 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.593 7.788 5.606 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.740 9.302 5.221 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.282 8.985 6.886 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.535 6.040 6.901 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.200 7.181 8.225 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.123 6.220 7.523 1.00 0.00 H new ATOM 1708 N THR B 55 -0.426 11.132 5.825 1.00 0.00 N ATOM 1709 CA THR B 55 -0.899 12.232 4.958 1.00 0.00 C ATOM 1710 C THR B 55 0.237 13.122 4.422 1.00 0.00 C ATOM 1711 O THR B 55 1.143 13.494 5.175 1.00 0.00 O ATOM 1712 CB THR B 55 -1.946 13.090 5.700 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.995 12.290 6.199 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.595 14.172 4.831 1.00 0.00 C ATOM 0 H THR B 55 0.266 11.425 6.515 1.00 0.00 H new ATOM 0 HA THR B 55 -1.358 11.761 4.089 1.00 0.00 H new ATOM 0 HB THR B 55 -1.382 13.570 6.500 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.644 12.856 6.666 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.318 14.731 5.425 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.827 14.851 4.462 1.00 0.00 H new ATOM 0 HG23 THR B 55 -3.103 13.705 3.987 1.00 0.00 H new ATOM 1722 N GLU B 56 0.137 13.519 3.143 1.00 0.00 N ATOM 1723 CA GLU B 56 0.965 14.529 2.444 1.00 0.00 C ATOM 1724 C GLU B 56 0.085 15.492 1.650 1.00 0.00 C ATOM 1725 O GLU B 56 -0.035 16.656 2.085 1.00 0.00 O ATOM 1726 CB GLU B 56 2.014 13.873 1.525 1.00 0.00 C ATOM 1727 CG GLU B 56 3.341 13.576 2.220 1.00 0.00 C ATOM 1728 CD GLU B 56 4.141 14.852 2.454 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.722 15.371 1.475 1.00 0.00 O ATOM 1730 OE2 GLU B 56 4.203 15.323 3.612 1.00 0.00 O ATOM 1731 OXT GLU B 56 -0.464 15.099 0.599 1.00 0.00 O ATOM 0 H GLU B 56 -0.569 13.120 2.525 1.00 0.00 H new ATOM 0 HA GLU B 56 1.503 15.093 3.206 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.606 12.943 1.129 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.199 14.528 0.674 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.152 13.083 3.173 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.925 12.884 1.613 1.00 0.00 H new TER 1738 GLU B 56