USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 962 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 5 TYR OH : rot 165:sc= 0.21 USER MOD Set 1.2: B 9 ASN : amide:sc= 0.387 K(o=0.6,f=-0.52!) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.28 K(o=1.9,f=0.75!) USER MOD Set 2.2: B 50 ASN : amide:sc= 2.23 K(o=1.9,f=-2) USER MOD Set 3.1: A 5 TYR OH : rot 180:sc= 0.69 USER MOD Set 3.2: A 9 ASN : amide:sc= 1.53 K(o=2.2,f=0.83!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc=-0.00344 (180deg=-0.125) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0.798) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.02 K(o=1,f=-0.043) USER MOD Single : A 22 HIS : no HE2:sc= -8.28! C(o=-8.3!,f=-9.3!) USER MOD Single : A 26 MET CE :methyl -161:sc= -0.174 (180deg=-0.785) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.14) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.1) USER MOD Single : A 33 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.057) USER MOD Single : A 35 THR OG1 : rot -67:sc= 1.06 USER MOD Single : A 37 SER OG : rot -130:sc= 0.357! USER MOD Single : A 40 CYS SG : rot -149:sc= -5.55! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.927 K(o=1.6,f=-8.2!) USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.518) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0211) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00964) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.116) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -3.61! C(o=-3.6!,f=-8!) USER MOD Single : B 22 HIS : no HE2:sc= -8.33! C(o=-8.3!,f=-8.9!) USER MOD Single : B 26 MET CE :methyl -162:sc= -0.137 (180deg=-0.639) USER MOD Single : B 30 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.16) USER MOD Single : B 32 LYS NZ :NH3+ -157:sc= -0.125 (180deg=-0.589) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 35 THR OG1 : rot -82:sc= 1.28 USER MOD Single : B 37 SER OG : rot -101:sc= 0.892 USER MOD Single : B 40 CYS SG : rot 74:sc= -0.555! USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 HIS : no HD1:sc= -2.12! X(o=-2.1!,f=-2.1) USER MOD Single : B 53 LYS NZ :NH3+ -173:sc= 0.549 (180deg=0.357) USER MOD Single : B 54 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 55 LYS NZ :NH3+ -168:sc= -0.0277 (180deg=-0.204) USER MOD Single : B 56 LYS NZ :NH3+ 145:sc= 1.23 (180deg=0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -13.848 14.796 -10.815 1.00 0.00 N ATOM 2 CA GLY A 2 -13.917 13.922 -9.621 1.00 0.00 C ATOM 3 C GLY A 2 -15.275 13.973 -8.960 1.00 0.00 C ATOM 4 O GLY A 2 -16.268 14.290 -9.616 1.00 0.00 O ATOM 0 HA2 GLY A 2 -13.693 12.895 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.154 14.226 -8.905 1.00 0.00 H new ATOM 10 N ARG A 3 -15.309 13.677 -7.662 1.00 0.00 N ATOM 11 CA ARG A 3 -16.551 13.659 -6.887 1.00 0.00 C ATOM 12 C ARG A 3 -17.553 12.651 -7.448 1.00 0.00 C ATOM 13 O ARG A 3 -18.588 13.042 -7.984 1.00 0.00 O ATOM 14 CB ARG A 3 -17.190 15.052 -6.842 1.00 0.00 C ATOM 15 CG ARG A 3 -16.521 16.022 -5.881 1.00 0.00 C ATOM 16 CD ARG A 3 -16.637 15.547 -4.439 1.00 0.00 C ATOM 17 NE ARG A 3 -18.008 15.133 -4.113 1.00 0.00 N ATOM 18 CZ ARG A 3 -18.454 14.886 -2.880 1.00 0.00 C ATOM 19 NH1 ARG A 3 -17.701 15.145 -1.817 1.00 0.00 N ATOM 20 NH2 ARG A 3 -19.679 14.410 -2.709 1.00 0.00 N ATOM 0 H ARG A 3 -14.479 13.443 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.289 13.354 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.168 15.480 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.238 14.948 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.469 16.131 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.978 17.007 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.956 14.712 -4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.329 16.347 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.666 15.027 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.768 15.538 -1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.056 14.951 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.275 14.234 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.025 14.219 -1.769 1.00 0.00 H new ATOM 34 N PRO A 4 -17.265 11.342 -7.337 1.00 0.00 N ATOM 35 CA PRO A 4 -18.192 10.298 -7.781 1.00 0.00 C ATOM 36 C PRO A 4 -19.476 10.306 -6.955 1.00 0.00 C ATOM 37 O PRO A 4 -20.568 10.535 -7.479 1.00 0.00 O ATOM 38 CB PRO A 4 -17.412 8.993 -7.558 1.00 0.00 C ATOM 39 CG PRO A 4 -15.988 9.406 -7.401 1.00 0.00 C ATOM 40 CD PRO A 4 -16.023 10.775 -6.789 1.00 0.00 C ATOM 0 HA PRO A 4 -18.505 10.436 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -17.769 8.468 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.533 8.313 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.446 8.707 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.477 9.421 -8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.044 10.731 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -15.150 11.366 -7.068 1.00 0.00 H new ATOM 48 N TYR A 5 -19.333 10.039 -5.665 1.00 0.00 N ATOM 49 CA TYR A 5 -20.440 10.142 -4.727 1.00 0.00 C ATOM 50 C TYR A 5 -19.912 10.372 -3.315 1.00 0.00 C ATOM 51 O TYR A 5 -20.245 11.366 -2.671 1.00 0.00 O ATOM 52 CB TYR A 5 -21.364 8.910 -4.796 1.00 0.00 C ATOM 53 CG TYR A 5 -20.674 7.564 -4.690 1.00 0.00 C ATOM 54 CD1 TYR A 5 -20.020 7.009 -5.782 1.00 0.00 C ATOM 55 CD2 TYR A 5 -20.698 6.838 -3.504 1.00 0.00 C ATOM 56 CE1 TYR A 5 -19.406 5.777 -5.696 1.00 0.00 C ATOM 57 CE2 TYR A 5 -20.085 5.603 -3.411 1.00 0.00 C ATOM 58 CZ TYR A 5 -19.441 5.078 -4.510 1.00 0.00 C ATOM 59 OH TYR A 5 -18.826 3.851 -4.425 1.00 0.00 O ATOM 0 H TYR A 5 -18.452 9.747 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 5 -21.047 11.002 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -22.099 8.985 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -21.913 8.943 -5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -19.992 7.552 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -21.204 7.246 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.900 5.362 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -20.111 5.053 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 5 -18.941 3.489 -3.521 1.00 0.00 H new ATOM 69 N LYS A 6 -19.061 9.468 -2.848 1.00 0.00 N ATOM 70 CA LYS A 6 -18.462 9.596 -1.529 1.00 0.00 C ATOM 71 C LYS A 6 -17.094 10.257 -1.641 1.00 0.00 C ATOM 72 O LYS A 6 -16.063 9.580 -1.640 1.00 0.00 O ATOM 73 CB LYS A 6 -18.347 8.222 -0.861 1.00 0.00 C ATOM 74 CG LYS A 6 -17.729 8.263 0.530 1.00 0.00 C ATOM 75 CD LYS A 6 -17.676 6.881 1.158 1.00 0.00 C ATOM 76 CE LYS A 6 -19.069 6.345 1.448 1.00 0.00 C ATOM 77 NZ LYS A 6 -19.756 7.116 2.518 1.00 0.00 N ATOM 0 H LYS A 6 -18.771 8.638 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.101 10.224 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.340 7.777 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.747 7.569 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.722 8.675 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.309 8.931 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.154 6.197 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.102 6.923 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.667 6.379 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.999 5.298 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.616 6.611 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.119 7.221 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.014 8.057 2.157 1.00 0.00 H new ATOM 91 N LEU A 7 -17.104 11.584 -1.767 1.00 0.00 N ATOM 92 CA LEU A 7 -15.881 12.387 -1.878 1.00 0.00 C ATOM 93 C LEU A 7 -15.059 11.988 -3.105 1.00 0.00 C ATOM 94 O LEU A 7 -15.266 12.520 -4.195 1.00 0.00 O ATOM 95 CB LEU A 7 -15.021 12.301 -0.601 1.00 0.00 C ATOM 96 CG LEU A 7 -15.540 13.086 0.614 1.00 0.00 C ATOM 97 CD1 LEU A 7 -16.824 12.481 1.160 1.00 0.00 C ATOM 98 CD2 LEU A 7 -14.475 13.143 1.700 1.00 0.00 C ATOM 0 H LEU A 7 -17.961 12.136 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.195 13.424 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.929 11.252 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.018 12.657 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.765 14.101 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.163 13.061 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.591 12.496 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.639 11.452 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.856 13.702 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.220 12.131 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.585 13.637 1.311 1.00 0.00 H new ATOM 110 N LEU A 8 -14.146 11.041 -2.928 1.00 0.00 N ATOM 111 CA LEU A 8 -13.321 10.542 -4.025 1.00 0.00 C ATOM 112 C LEU A 8 -13.177 9.030 -3.928 1.00 0.00 C ATOM 113 O LEU A 8 -12.339 8.430 -4.603 1.00 0.00 O ATOM 114 CB LEU A 8 -11.935 11.194 -3.996 1.00 0.00 C ATOM 115 CG LEU A 8 -11.898 12.679 -4.360 1.00 0.00 C ATOM 116 CD1 LEU A 8 -10.500 13.240 -4.157 1.00 0.00 C ATOM 117 CD2 LEU A 8 -12.350 12.885 -5.798 1.00 0.00 C ATOM 0 H LEU A 8 -13.956 10.599 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.811 10.797 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.516 11.072 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.284 10.653 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.584 13.214 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.491 14.298 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.209 13.123 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.796 12.702 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.318 13.947 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.687 12.339 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.369 12.517 -5.915 1.00 0.00 H new ATOM 129 N ASN A 9 -14.006 8.428 -3.072 1.00 0.00 N ATOM 130 CA ASN A 9 -13.982 6.984 -2.823 1.00 0.00 C ATOM 131 C ASN A 9 -12.683 6.543 -2.157 1.00 0.00 C ATOM 132 O ASN A 9 -12.434 5.350 -2.009 1.00 0.00 O ATOM 133 CB ASN A 9 -14.200 6.188 -4.116 1.00 0.00 C ATOM 134 CG ASN A 9 -15.666 6.012 -4.454 1.00 0.00 C ATOM 135 OD1 ASN A 9 -16.283 6.878 -5.075 1.00 0.00 O ATOM 136 ND2 ASN A 9 -16.227 4.881 -4.059 1.00 0.00 N ATOM 0 H ASN A 9 -14.713 8.927 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.805 6.774 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.700 6.697 -4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.734 5.208 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.209 4.699 -4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.678 4.191 -3.547 1.00 0.00 H new ATOM 143 N GLY A 10 -11.876 7.508 -1.730 1.00 0.00 N ATOM 144 CA GLY A 10 -10.606 7.201 -1.107 1.00 0.00 C ATOM 145 C GLY A 10 -10.038 8.389 -0.364 1.00 0.00 C ATOM 146 O GLY A 10 -10.437 9.527 -0.613 1.00 0.00 O ATOM 0 H GLY A 10 -12.083 8.504 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.733 6.368 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.897 6.877 -1.869 1.00 0.00 H new ATOM 150 N ILE A 11 -9.100 8.130 0.538 1.00 0.00 N ATOM 151 CA ILE A 11 -8.526 9.179 1.371 1.00 0.00 C ATOM 152 C ILE A 11 -7.001 9.145 1.270 1.00 0.00 C ATOM 153 O ILE A 11 -6.414 8.088 1.016 1.00 0.00 O ATOM 154 CB ILE A 11 -8.951 9.031 2.861 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.474 8.888 2.998 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.476 10.224 3.682 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.981 7.463 2.864 1.00 0.00 C ATOM 0 H ILE A 11 -8.720 7.200 0.712 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.903 10.134 1.006 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.481 8.124 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.778 9.280 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.955 9.506 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.785 10.098 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.389 10.290 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.914 11.139 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.065 7.451 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.711 7.071 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.531 6.842 3.639 1.00 0.00 H new ATOM 169 N LYS A 12 -6.365 10.293 1.490 1.00 0.00 N ATOM 170 CA LYS A 12 -4.919 10.414 1.368 1.00 0.00 C ATOM 171 C LYS A 12 -4.267 10.362 2.746 1.00 0.00 C ATOM 172 O LYS A 12 -4.632 11.110 3.654 1.00 0.00 O ATOM 173 CB LYS A 12 -4.570 11.725 0.656 1.00 0.00 C ATOM 174 CG LYS A 12 -3.090 12.082 0.666 1.00 0.00 C ATOM 175 CD LYS A 12 -2.234 11.036 -0.027 1.00 0.00 C ATOM 176 CE LYS A 12 -0.769 11.446 -0.037 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.250 11.713 1.335 1.00 0.00 N ATOM 0 H LYS A 12 -6.835 11.158 1.756 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.538 9.580 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.907 11.661 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.128 12.536 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.949 13.045 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.754 12.197 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.343 10.078 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.583 10.896 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.176 10.658 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.648 12.339 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.782 11.839 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.691 12.577 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.478 10.910 1.955 1.00 0.00 H new ATOM 191 N LEU A 13 -3.309 9.461 2.886 1.00 0.00 N ATOM 192 CA LEU A 13 -2.651 9.213 4.154 1.00 0.00 C ATOM 193 C LEU A 13 -1.142 9.344 4.011 1.00 0.00 C ATOM 194 O LEU A 13 -0.615 9.389 2.895 1.00 0.00 O ATOM 195 CB LEU A 13 -3.019 7.818 4.674 1.00 0.00 C ATOM 196 CG LEU A 13 -2.931 6.677 3.646 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.621 5.359 4.338 1.00 0.00 C ATOM 198 CD2 LEU A 13 -4.237 6.557 2.860 1.00 0.00 C ATOM 0 H LEU A 13 -2.966 8.881 2.121 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.991 9.958 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.364 7.579 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.036 7.853 5.064 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.124 6.909 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.562 4.563 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.668 5.438 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.410 5.130 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.154 5.744 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.057 6.350 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.432 7.491 2.333 1.00 0.00 H new ATOM 210 N GLY A 14 -0.455 9.413 5.138 1.00 0.00 N ATOM 211 CA GLY A 14 0.982 9.563 5.125 1.00 0.00 C ATOM 212 C GLY A 14 1.648 8.669 6.148 1.00 0.00 C ATOM 213 O GLY A 14 1.079 8.396 7.204 1.00 0.00 O ATOM 0 H GLY A 14 -0.871 9.367 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.363 9.326 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.241 10.602 5.327 1.00 0.00 H new ATOM 217 N VAL A 15 2.846 8.199 5.830 1.00 0.00 N ATOM 218 CA VAL A 15 3.556 7.252 6.679 1.00 0.00 C ATOM 219 C VAL A 15 5.010 7.700 6.859 1.00 0.00 C ATOM 220 O VAL A 15 5.492 8.560 6.119 1.00 0.00 O ATOM 221 CB VAL A 15 3.526 5.824 6.064 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.002 4.779 7.061 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.134 5.472 5.556 1.00 0.00 C ATOM 0 H VAL A 15 3.350 8.461 4.983 1.00 0.00 H new ATOM 0 HA VAL A 15 3.058 7.225 7.648 1.00 0.00 H new ATOM 0 HB VAL A 15 4.212 5.824 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.968 3.793 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.025 5.003 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.354 4.791 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.145 4.468 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.425 5.509 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.835 6.187 4.789 1.00 0.00 H new ATOM 233 N TYR A 16 5.696 7.133 7.845 1.00 0.00 N ATOM 234 CA TYR A 16 7.120 7.379 8.045 1.00 0.00 C ATOM 235 C TYR A 16 7.869 6.072 8.226 1.00 0.00 C ATOM 236 O TYR A 16 7.427 5.196 8.970 1.00 0.00 O ATOM 237 CB TYR A 16 7.376 8.250 9.270 1.00 0.00 C ATOM 238 CG TYR A 16 7.648 9.696 8.952 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.866 10.068 8.410 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.707 10.686 9.196 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.146 11.380 8.113 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.979 12.009 8.906 1.00 0.00 C ATOM 243 CZ TYR A 16 8.200 12.351 8.361 1.00 0.00 C ATOM 244 OH TYR A 16 8.476 13.670 8.074 1.00 0.00 O ATOM 0 H TYR A 16 5.284 6.494 8.525 1.00 0.00 H new ATOM 0 HA TYR A 16 7.476 7.899 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.511 8.191 9.931 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.225 7.844 9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.612 9.311 8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.749 10.419 9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.102 11.649 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.240 12.771 9.105 1.00 0.00 H new ATOM 0 HH TYR A 16 7.702 14.224 8.308 1.00 0.00 H new ATOM 254 N ILE A 17 9.001 5.957 7.552 1.00 0.00 N ATOM 255 CA ILE A 17 9.879 4.799 7.703 1.00 0.00 C ATOM 256 C ILE A 17 11.323 5.199 7.425 1.00 0.00 C ATOM 257 O ILE A 17 11.573 6.141 6.665 1.00 0.00 O ATOM 258 CB ILE A 17 9.483 3.611 6.790 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.127 4.090 5.382 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.337 2.814 7.403 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.689 2.972 4.458 1.00 0.00 C ATOM 0 H ILE A 17 9.339 6.655 6.889 1.00 0.00 H new ATOM 0 HA ILE A 17 9.772 4.459 8.733 1.00 0.00 H new ATOM 0 HB ILE A 17 10.347 2.951 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.329 4.829 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.991 4.592 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.077 1.986 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.644 2.423 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.470 3.462 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.452 3.383 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.494 2.243 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.806 2.484 4.870 1.00 0.00 H new ATOM 273 N PRO A 18 12.285 4.506 8.058 1.00 0.00 N ATOM 274 CA PRO A 18 13.712 4.832 7.954 1.00 0.00 C ATOM 275 C PRO A 18 14.292 4.665 6.549 1.00 0.00 C ATOM 276 O PRO A 18 13.636 4.146 5.633 1.00 0.00 O ATOM 277 CB PRO A 18 14.388 3.847 8.915 1.00 0.00 C ATOM 278 CG PRO A 18 13.407 2.744 9.107 1.00 0.00 C ATOM 279 CD PRO A 18 12.048 3.362 8.958 1.00 0.00 C ATOM 0 HA PRO A 18 13.876 5.883 8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.324 3.473 8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.630 4.327 9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.559 1.955 8.370 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.522 2.288 10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.332 2.659 8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.646 3.684 9.919 1.00 0.00 H new ATOM 287 N GLN A 19 15.539 5.095 6.399 1.00 0.00 N ATOM 288 CA GLN A 19 16.240 5.016 5.123 1.00 0.00 C ATOM 289 C GLN A 19 16.349 3.574 4.642 1.00 0.00 C ATOM 290 O GLN A 19 16.243 3.308 3.452 1.00 0.00 O ATOM 291 CB GLN A 19 17.639 5.625 5.225 1.00 0.00 C ATOM 292 CG GLN A 19 18.482 5.051 6.353 1.00 0.00 C ATOM 293 CD GLN A 19 19.964 5.157 6.065 1.00 0.00 C ATOM 294 OE1 GLN A 19 20.591 6.172 6.353 1.00 0.00 O ATOM 295 NE2 GLN A 19 20.542 4.097 5.522 1.00 0.00 N ATOM 0 H GLN A 19 16.090 5.506 7.153 1.00 0.00 H new ATOM 0 HA GLN A 19 15.656 5.586 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.161 5.471 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.546 6.702 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.254 5.578 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.217 4.005 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.986 3.272 5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.543 4.105 5.329 1.00 0.00 H new ATOM 304 N GLU A 20 16.538 2.650 5.580 1.00 0.00 N ATOM 305 CA GLU A 20 16.692 1.233 5.255 1.00 0.00 C ATOM 306 C GLU A 20 15.513 0.719 4.431 1.00 0.00 C ATOM 307 O GLU A 20 15.681 -0.107 3.528 1.00 0.00 O ATOM 308 CB GLU A 20 16.848 0.421 6.540 1.00 0.00 C ATOM 309 CG GLU A 20 18.070 0.817 7.352 1.00 0.00 C ATOM 310 CD GLU A 20 19.359 0.646 6.574 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.669 1.516 5.735 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.053 -0.371 6.782 1.00 0.00 O ATOM 0 H GLU A 20 16.589 2.858 6.577 1.00 0.00 H new ATOM 0 HA GLU A 20 17.590 1.116 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.956 0.547 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.914 -0.637 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.973 1.856 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.113 0.213 8.258 1.00 0.00 H new ATOM 319 N TRP A 21 14.335 1.268 4.694 1.00 0.00 N ATOM 320 CA TRP A 21 13.141 0.859 3.977 1.00 0.00 C ATOM 321 C TRP A 21 13.118 1.516 2.616 1.00 0.00 C ATOM 322 O TRP A 21 12.970 0.852 1.602 1.00 0.00 O ATOM 323 CB TRP A 21 11.880 1.263 4.732 1.00 0.00 C ATOM 324 CG TRP A 21 11.601 0.465 5.962 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.451 0.195 6.991 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.356 -0.142 6.296 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.805 -0.545 7.951 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.514 -0.766 7.544 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.118 -0.214 5.654 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.475 -1.457 8.163 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.093 -0.893 6.266 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.274 -1.506 7.509 1.00 0.00 C ATOM 0 H TRP A 21 14.183 1.993 5.395 1.00 0.00 H new ATOM 0 HA TRP A 21 13.163 -0.226 3.879 1.00 0.00 H new ATOM 0 HB2 TRP A 21 11.961 2.314 5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.027 1.176 4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.481 0.515 7.044 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.218 -0.876 8.823 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.969 0.256 4.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.612 -1.935 9.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.131 -0.954 5.779 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.447 -2.031 7.964 1.00 0.00 H new ATOM 343 N HIS A 22 13.304 2.826 2.602 1.00 0.00 N ATOM 344 CA HIS A 22 13.256 3.582 1.357 1.00 0.00 C ATOM 345 C HIS A 22 14.311 3.092 0.373 1.00 0.00 C ATOM 346 O HIS A 22 14.075 3.055 -0.831 1.00 0.00 O ATOM 347 CB HIS A 22 13.437 5.075 1.627 1.00 0.00 C ATOM 348 CG HIS A 22 12.212 5.734 2.178 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.393 6.547 1.427 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.661 5.693 3.413 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.396 6.977 2.171 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.532 6.473 3.383 1.00 0.00 N ATOM 0 H HIS A 22 13.489 3.387 3.433 1.00 0.00 H new ATOM 0 HA HIS A 22 12.275 3.423 0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.260 5.212 2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.722 5.572 0.700 1.00 0.00 H new ATOM 0 HD1 HIS A 22 11.537 6.780 0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 22 12.039 5.147 4.265 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.601 7.631 1.845 1.00 0.00 H new ATOM 361 N ASP A 23 15.468 2.721 0.894 1.00 0.00 N ATOM 362 CA ASP A 23 16.561 2.213 0.076 1.00 0.00 C ATOM 363 C ASP A 23 16.178 0.902 -0.617 1.00 0.00 C ATOM 364 O ASP A 23 16.153 0.822 -1.848 1.00 0.00 O ATOM 365 CB ASP A 23 17.809 2.016 0.942 1.00 0.00 C ATOM 366 CG ASP A 23 19.034 1.652 0.130 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.681 2.571 -0.418 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.360 0.451 0.047 1.00 0.00 O ATOM 0 H ASP A 23 15.678 2.762 1.891 1.00 0.00 H new ATOM 0 HA ASP A 23 16.775 2.946 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.007 2.931 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.618 1.232 1.674 1.00 0.00 H new ATOM 373 N ARG A 24 15.828 -0.114 0.172 1.00 0.00 N ATOM 374 CA ARG A 24 15.582 -1.449 -0.379 1.00 0.00 C ATOM 375 C ARG A 24 14.238 -1.524 -1.092 1.00 0.00 C ATOM 376 O ARG A 24 14.138 -2.087 -2.183 1.00 0.00 O ATOM 377 CB ARG A 24 15.637 -2.522 0.717 1.00 0.00 C ATOM 378 CG ARG A 24 17.041 -2.897 1.180 1.00 0.00 C ATOM 379 CD ARG A 24 17.763 -1.731 1.831 1.00 0.00 C ATOM 380 NE ARG A 24 18.904 -2.165 2.632 1.00 0.00 N ATOM 381 CZ ARG A 24 19.517 -1.390 3.525 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.209 -0.100 3.612 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.463 -1.893 4.305 1.00 0.00 N ATOM 0 H ARG A 24 15.709 -0.042 1.182 1.00 0.00 H new ATOM 0 HA ARG A 24 16.373 -1.639 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.068 -2.170 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.139 -3.420 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.979 -3.724 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.621 -3.250 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.105 -1.041 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.066 -1.182 2.463 1.00 0.00 H new ATOM 0 HE ARG A 24 19.251 -3.115 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.502 0.298 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.680 0.492 4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.723 -2.876 4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.931 -1.297 4.988 1.00 0.00 H new ATOM 397 N LEU A 25 13.213 -0.940 -0.488 1.00 0.00 N ATOM 398 CA LEU A 25 11.865 -0.997 -1.045 1.00 0.00 C ATOM 399 C LEU A 25 11.799 -0.284 -2.386 1.00 0.00 C ATOM 400 O LEU A 25 11.314 -0.844 -3.368 1.00 0.00 O ATOM 401 CB LEU A 25 10.844 -0.383 -0.078 1.00 0.00 C ATOM 402 CG LEU A 25 10.256 -1.340 0.969 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.506 -2.471 0.285 1.00 0.00 C ATOM 404 CD2 LEU A 25 11.343 -1.900 1.878 1.00 0.00 C ATOM 0 H LEU A 25 13.287 -0.421 0.387 1.00 0.00 H new ATOM 0 HA LEU A 25 11.617 -2.048 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.319 0.448 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.024 0.035 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 25 9.559 -0.775 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.094 -3.142 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.695 -2.059 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.190 -3.024 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.895 -2.574 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.072 -2.446 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.841 -1.081 2.397 1.00 0.00 H new ATOM 416 N MET A 26 12.289 0.949 -2.430 1.00 0.00 N ATOM 417 CA MET A 26 12.247 1.724 -3.661 1.00 0.00 C ATOM 418 C MET A 26 13.144 1.132 -4.737 1.00 0.00 C ATOM 419 O MET A 26 12.898 1.341 -5.916 1.00 0.00 O ATOM 420 CB MET A 26 12.591 3.189 -3.409 1.00 0.00 C ATOM 421 CG MET A 26 11.503 3.934 -2.653 1.00 0.00 C ATOM 422 SD MET A 26 9.951 4.027 -3.570 1.00 0.00 S ATOM 423 CE MET A 26 10.482 4.880 -5.054 1.00 0.00 C ATOM 0 H MET A 26 12.715 1.428 -1.637 1.00 0.00 H new ATOM 0 HA MET A 26 11.222 1.677 -4.029 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.522 3.246 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.766 3.685 -4.364 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.326 3.439 -1.698 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.848 4.943 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.615 5.308 -5.557 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.177 5.676 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.977 4.175 -5.722 1.00 0.00 H new ATOM 433 N GLU A 27 14.175 0.388 -4.347 1.00 0.00 N ATOM 434 CA GLU A 27 15.005 -0.302 -5.327 1.00 0.00 C ATOM 435 C GLU A 27 14.165 -1.345 -6.060 1.00 0.00 C ATOM 436 O GLU A 27 14.163 -1.423 -7.298 1.00 0.00 O ATOM 437 CB GLU A 27 16.209 -0.958 -4.644 1.00 0.00 C ATOM 438 CG GLU A 27 17.238 -1.511 -5.615 1.00 0.00 C ATOM 439 CD GLU A 27 17.782 -0.446 -6.547 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.257 0.599 -6.054 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.724 -0.638 -7.778 1.00 0.00 O ATOM 0 H GLU A 27 14.452 0.249 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 27 15.383 0.421 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.691 -0.226 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.856 -1.766 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.061 -1.955 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.786 -2.309 -6.204 1.00 0.00 H new ATOM 448 N ILE A 28 13.411 -2.115 -5.287 1.00 0.00 N ATOM 449 CA ILE A 28 12.478 -3.079 -5.850 1.00 0.00 C ATOM 450 C ILE A 28 11.419 -2.337 -6.659 1.00 0.00 C ATOM 451 O ILE A 28 10.987 -2.784 -7.725 1.00 0.00 O ATOM 452 CB ILE A 28 11.785 -3.903 -4.740 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.829 -4.558 -3.833 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.870 -4.955 -5.350 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.231 -5.276 -2.639 1.00 0.00 C ATOM 0 H ILE A 28 13.428 -2.090 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 28 13.035 -3.764 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 28 11.177 -3.229 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.412 -5.268 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.520 -3.794 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.391 -5.526 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.107 -4.466 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.456 -5.628 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.030 -5.716 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.671 -4.566 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.562 -6.063 -2.986 1.00 0.00 H new ATOM 467 N ALA A 29 11.036 -1.177 -6.140 1.00 0.00 N ATOM 468 CA ALA A 29 10.040 -0.325 -6.767 1.00 0.00 C ATOM 469 C ALA A 29 10.521 0.206 -8.118 1.00 0.00 C ATOM 470 O ALA A 29 9.712 0.547 -8.975 1.00 0.00 O ATOM 471 CB ALA A 29 9.679 0.825 -5.840 1.00 0.00 C ATOM 0 H ALA A 29 11.411 -0.802 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 29 9.151 -0.928 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.932 1.458 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.275 0.428 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.571 1.414 -5.627 1.00 0.00 H new ATOM 477 N LYS A 30 11.833 0.242 -8.319 1.00 0.00 N ATOM 478 CA LYS A 30 12.387 0.717 -9.580 1.00 0.00 C ATOM 479 C LYS A 30 12.222 -0.360 -10.630 1.00 0.00 C ATOM 480 O LYS A 30 11.785 -0.095 -11.749 1.00 0.00 O ATOM 481 CB LYS A 30 13.877 1.046 -9.446 1.00 0.00 C ATOM 482 CG LYS A 30 14.201 2.111 -8.416 1.00 0.00 C ATOM 483 CD LYS A 30 15.698 2.178 -8.175 1.00 0.00 C ATOM 484 CE LYS A 30 16.054 3.110 -7.030 1.00 0.00 C ATOM 485 NZ LYS A 30 17.519 3.118 -6.779 1.00 0.00 N ATOM 0 H LYS A 30 12.528 -0.049 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 30 11.854 1.624 -9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.415 0.134 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.252 1.372 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.838 3.080 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.686 1.890 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.074 1.178 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.196 2.515 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.717 4.120 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.529 2.798 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.767 3.942 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.791 2.246 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.026 3.171 -7.685 1.00 0.00 H new ATOM 499 N GLU A 31 12.553 -1.580 -10.241 1.00 0.00 N ATOM 500 CA GLU A 31 12.458 -2.728 -11.132 1.00 0.00 C ATOM 501 C GLU A 31 11.029 -2.955 -11.622 1.00 0.00 C ATOM 502 O GLU A 31 10.807 -3.220 -12.803 1.00 0.00 O ATOM 503 CB GLU A 31 12.980 -3.982 -10.431 1.00 0.00 C ATOM 504 CG GLU A 31 14.477 -3.946 -10.181 1.00 0.00 C ATOM 505 CD GLU A 31 15.273 -3.960 -11.469 1.00 0.00 C ATOM 506 OE1 GLU A 31 15.359 -2.909 -12.137 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.812 -5.026 -11.825 1.00 0.00 O ATOM 0 H GLU A 31 12.893 -1.804 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 31 13.074 -2.517 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.462 -4.101 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.740 -4.856 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.727 -3.051 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.762 -4.803 -9.570 1.00 0.00 H new ATOM 514 N LYS A 32 10.060 -2.844 -10.720 1.00 0.00 N ATOM 515 CA LYS A 32 8.671 -3.153 -11.064 1.00 0.00 C ATOM 516 C LYS A 32 7.872 -1.907 -11.449 1.00 0.00 C ATOM 517 O LYS A 32 6.710 -2.008 -11.844 1.00 0.00 O ATOM 518 CB LYS A 32 7.969 -3.910 -9.926 1.00 0.00 C ATOM 519 CG LYS A 32 8.431 -5.353 -9.778 1.00 0.00 C ATOM 520 CD LYS A 32 9.747 -5.464 -9.024 1.00 0.00 C ATOM 521 CE LYS A 32 10.556 -6.672 -9.478 1.00 0.00 C ATOM 522 NZ LYS A 32 9.768 -7.932 -9.454 1.00 0.00 N ATOM 0 H LYS A 32 10.204 -2.546 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 32 8.708 -3.799 -11.941 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.144 -3.383 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.893 -3.898 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.665 -5.925 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.542 -5.800 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.331 -4.557 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.549 -5.540 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.925 -6.498 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.429 -6.782 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.403 -8.742 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.297 -8.030 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.051 -7.908 -10.207 1.00 0.00 H new ATOM 536 N ASN A 33 8.513 -0.744 -11.340 1.00 0.00 N ATOM 537 CA ASN A 33 7.889 0.548 -11.657 1.00 0.00 C ATOM 538 C ASN A 33 6.719 0.840 -10.727 1.00 0.00 C ATOM 539 O ASN A 33 5.589 1.046 -11.167 1.00 0.00 O ATOM 540 CB ASN A 33 7.421 0.613 -13.115 1.00 0.00 C ATOM 541 CG ASN A 33 8.565 0.647 -14.111 1.00 0.00 C ATOM 542 OD1 ASN A 33 8.410 0.240 -15.261 1.00 0.00 O ATOM 543 ND2 ASN A 33 9.721 1.129 -13.679 1.00 0.00 N ATOM 0 H ASN A 33 9.481 -0.667 -11.029 1.00 0.00 H new ATOM 0 HA ASN A 33 8.655 1.309 -11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.790 -0.251 -13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.803 1.500 -13.252 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.523 1.172 -14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.809 1.457 -12.717 1.00 0.00 H new ATOM 550 N LEU A 34 7.009 0.861 -9.439 1.00 0.00 N ATOM 551 CA LEU A 34 6.013 1.112 -8.411 1.00 0.00 C ATOM 552 C LEU A 34 6.557 2.132 -7.424 1.00 0.00 C ATOM 553 O LEU A 34 7.744 2.445 -7.441 1.00 0.00 O ATOM 554 CB LEU A 34 5.678 -0.186 -7.671 1.00 0.00 C ATOM 555 CG LEU A 34 5.063 -1.295 -8.528 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.955 -2.585 -7.732 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.693 -0.876 -9.036 1.00 0.00 C ATOM 0 H LEU A 34 7.948 0.703 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 34 5.106 1.496 -8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.590 -0.568 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.988 0.047 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 34 5.715 -1.468 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.516 -3.362 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.948 -2.897 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.324 -2.422 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.270 -1.676 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.036 -0.677 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.789 0.026 -9.640 1.00 0.00 H new ATOM 569 N THR A 35 5.692 2.676 -6.591 1.00 0.00 N ATOM 570 CA THR A 35 6.147 3.497 -5.486 1.00 0.00 C ATOM 571 C THR A 35 5.947 2.731 -4.188 1.00 0.00 C ATOM 572 O THR A 35 5.140 1.801 -4.142 1.00 0.00 O ATOM 573 CB THR A 35 5.397 4.844 -5.412 1.00 0.00 C ATOM 574 OG1 THR A 35 3.993 4.624 -5.219 1.00 0.00 O ATOM 575 CG2 THR A 35 5.620 5.662 -6.678 1.00 0.00 C ATOM 0 H THR A 35 4.680 2.566 -6.656 1.00 0.00 H new ATOM 0 HA THR A 35 7.202 3.721 -5.644 1.00 0.00 H new ATOM 0 HB THR A 35 5.792 5.402 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.614 4.208 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.081 6.606 -6.601 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.685 5.861 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.254 5.105 -7.540 1.00 0.00 H new ATOM 583 N LEU A 36 6.685 3.090 -3.146 1.00 0.00 N ATOM 584 CA LEU A 36 6.489 2.471 -1.838 1.00 0.00 C ATOM 585 C LEU A 36 5.072 2.727 -1.341 1.00 0.00 C ATOM 586 O LEU A 36 4.556 1.978 -0.523 1.00 0.00 O ATOM 587 CB LEU A 36 7.528 2.961 -0.818 1.00 0.00 C ATOM 588 CG LEU A 36 7.353 4.388 -0.285 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.363 4.653 0.816 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.507 5.418 -1.393 1.00 0.00 C ATOM 0 H LEU A 36 7.418 3.799 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 36 6.630 1.396 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.519 2.278 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.514 2.888 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 36 6.344 4.478 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.234 5.668 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.209 3.944 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.372 4.538 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.377 6.418 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.501 5.333 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.754 5.242 -2.161 1.00 0.00 H new ATOM 602 N SER A 37 4.452 3.790 -1.840 1.00 0.00 N ATOM 603 CA SER A 37 3.036 4.027 -1.610 1.00 0.00 C ATOM 604 C SER A 37 2.210 2.866 -2.166 1.00 0.00 C ATOM 605 O SER A 37 1.352 2.307 -1.477 1.00 0.00 O ATOM 606 CB SER A 37 2.620 5.340 -2.270 1.00 0.00 C ATOM 607 OG SER A 37 3.493 6.392 -1.888 1.00 0.00 O ATOM 0 H SER A 37 4.911 4.502 -2.408 1.00 0.00 H new ATOM 0 HA SER A 37 2.854 4.097 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.631 5.227 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.597 5.588 -1.985 1.00 0.00 H new ATOM 0 HG SER A 37 2.966 7.160 -1.584 1.00 0.00 H new ATOM 613 N ASP A 38 2.500 2.487 -3.411 1.00 0.00 N ATOM 614 CA ASP A 38 1.825 1.360 -4.050 1.00 0.00 C ATOM 615 C ASP A 38 2.153 0.072 -3.315 1.00 0.00 C ATOM 616 O ASP A 38 1.270 -0.718 -3.009 1.00 0.00 O ATOM 617 CB ASP A 38 2.238 1.204 -5.521 1.00 0.00 C ATOM 618 CG ASP A 38 1.824 2.368 -6.394 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.611 2.539 -6.636 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.715 3.114 -6.848 1.00 0.00 O ATOM 0 H ASP A 38 3.199 2.945 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 38 0.755 1.561 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.320 1.087 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.798 0.289 -5.918 1.00 0.00 H new ATOM 625 N VAL A 39 3.428 -0.119 -3.012 1.00 0.00 N ATOM 626 CA VAL A 39 3.885 -1.333 -2.345 1.00 0.00 C ATOM 627 C VAL A 39 3.276 -1.451 -0.948 1.00 0.00 C ATOM 628 O VAL A 39 3.017 -2.546 -0.469 1.00 0.00 O ATOM 629 CB VAL A 39 5.430 -1.373 -2.241 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.902 -2.654 -1.563 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.059 -1.241 -3.620 1.00 0.00 C ATOM 0 H VAL A 39 4.168 0.552 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 39 3.555 -2.177 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 39 5.748 -0.529 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.990 -2.655 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.484 -2.709 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.570 -3.516 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.145 -1.271 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.725 -2.064 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.758 -0.294 -4.068 1.00 0.00 H new ATOM 641 N CYS A 40 3.034 -0.315 -0.311 1.00 0.00 N ATOM 642 CA CYS A 40 2.482 -0.286 1.037 1.00 0.00 C ATOM 643 C CYS A 40 1.022 -0.757 1.041 1.00 0.00 C ATOM 644 O CYS A 40 0.641 -1.608 1.840 1.00 0.00 O ATOM 645 CB CYS A 40 2.612 1.132 1.614 1.00 0.00 C ATOM 646 SG CYS A 40 2.704 1.213 3.409 1.00 0.00 S ATOM 0 H CYS A 40 3.213 0.607 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 40 3.045 -0.974 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.505 1.598 1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.759 1.724 1.281 1.00 0.00 H new ATOM 0 HG CYS A 40 2.172 2.325 3.821 1.00 0.00 H new ATOM 652 N ARG A 41 0.205 -0.202 0.152 1.00 0.00 N ATOM 653 CA ARG A 41 -1.159 -0.677 -0.021 1.00 0.00 C ATOM 654 C ARG A 41 -1.185 -2.112 -0.574 1.00 0.00 C ATOM 655 O ARG A 41 -2.076 -2.891 -0.249 1.00 0.00 O ATOM 656 CB ARG A 41 -1.975 0.300 -0.890 1.00 0.00 C ATOM 657 CG ARG A 41 -1.352 0.654 -2.230 1.00 0.00 C ATOM 658 CD ARG A 41 -1.721 -0.342 -3.318 1.00 0.00 C ATOM 659 NE ARG A 41 -3.114 -0.210 -3.747 1.00 0.00 N ATOM 660 CZ ARG A 41 -3.603 -0.772 -4.852 1.00 0.00 C ATOM 661 NH1 ARG A 41 -2.816 -1.515 -5.620 1.00 0.00 N ATOM 662 NH2 ARG A 41 -4.875 -0.594 -5.189 1.00 0.00 N ATOM 0 H ARG A 41 0.464 0.574 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.636 -0.710 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.959 -0.134 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.130 1.220 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.677 1.651 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.268 0.690 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.064 -0.198 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.551 -1.355 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.746 0.343 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.839 -1.655 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.189 -1.946 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.484 -0.025 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.244 -1.027 -6.036 1.00 0.00 H new ATOM 676 N LEU A 42 -0.197 -2.478 -1.384 1.00 0.00 N ATOM 677 CA LEU A 42 -0.086 -3.860 -1.856 1.00 0.00 C ATOM 678 C LEU A 42 0.286 -4.769 -0.695 1.00 0.00 C ATOM 679 O LEU A 42 -0.030 -5.963 -0.680 1.00 0.00 O ATOM 680 CB LEU A 42 0.965 -3.982 -2.963 1.00 0.00 C ATOM 681 CG LEU A 42 0.614 -3.287 -4.277 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.774 -3.385 -5.254 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.647 -3.894 -4.878 1.00 0.00 C ATOM 0 H LEU A 42 0.530 -1.850 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.051 -4.160 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.906 -3.573 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.135 -5.040 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 42 0.424 -2.233 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.508 -2.885 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.654 -2.907 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.993 -4.434 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.884 -3.388 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.484 -4.955 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.476 -3.774 -4.181 1.00 0.00 H new ATOM 695 N ALA A 43 0.929 -4.176 0.292 1.00 0.00 N ATOM 696 CA ALA A 43 1.376 -4.894 1.459 1.00 0.00 C ATOM 697 C ALA A 43 0.193 -5.298 2.326 1.00 0.00 C ATOM 698 O ALA A 43 0.061 -6.460 2.702 1.00 0.00 O ATOM 699 CB ALA A 43 2.361 -4.052 2.246 1.00 0.00 C ATOM 0 H ALA A 43 1.154 -3.181 0.303 1.00 0.00 H new ATOM 0 HA ALA A 43 1.882 -5.804 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.691 -4.605 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.222 -3.818 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.879 -3.126 2.560 1.00 0.00 H new ATOM 705 N ILE A 44 -0.685 -4.339 2.622 1.00 0.00 N ATOM 706 CA ILE A 44 -1.879 -4.623 3.412 1.00 0.00 C ATOM 707 C ILE A 44 -2.838 -5.500 2.631 1.00 0.00 C ATOM 708 O ILE A 44 -3.678 -6.182 3.212 1.00 0.00 O ATOM 709 CB ILE A 44 -2.611 -3.349 3.892 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.447 -2.203 2.890 1.00 0.00 C ATOM 711 CG2 ILE A 44 -2.112 -2.947 5.270 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.174 -0.934 3.291 1.00 0.00 C ATOM 0 H ILE A 44 -0.592 -3.367 2.328 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.535 -5.149 4.303 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.676 -3.570 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.386 -1.982 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.813 -2.528 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.634 -2.048 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.302 -3.756 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.041 -2.748 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.012 -0.167 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.241 -1.138 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.792 -0.583 4.250 1.00 0.00 H new ATOM 724 N LYS A 45 -2.700 -5.481 1.315 1.00 0.00 N ATOM 725 CA LYS A 45 -3.463 -6.370 0.458 1.00 0.00 C ATOM 726 C LYS A 45 -3.200 -7.828 0.835 1.00 0.00 C ATOM 727 O LYS A 45 -4.129 -8.576 1.144 1.00 0.00 O ATOM 728 CB LYS A 45 -3.100 -6.122 -1.009 1.00 0.00 C ATOM 729 CG LYS A 45 -3.747 -7.089 -1.990 1.00 0.00 C ATOM 730 CD LYS A 45 -3.247 -6.844 -3.402 1.00 0.00 C ATOM 731 CE LYS A 45 -3.889 -7.790 -4.405 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.452 -7.494 -5.794 1.00 0.00 N ATOM 0 H LYS A 45 -2.065 -4.857 0.817 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.525 -6.166 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.390 -5.106 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.017 -6.184 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.526 -8.115 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.831 -6.974 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.459 -5.814 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.164 -6.966 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.630 -8.818 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.974 -7.709 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.909 -8.158 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.721 -6.521 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.419 -7.596 -5.862 1.00 0.00 H new ATOM 746 N GLU A 46 -1.929 -8.223 0.826 1.00 0.00 N ATOM 747 CA GLU A 46 -1.561 -9.584 1.189 1.00 0.00 C ATOM 748 C GLU A 46 -1.664 -9.754 2.698 1.00 0.00 C ATOM 749 O GLU A 46 -1.860 -10.856 3.203 1.00 0.00 O ATOM 750 CB GLU A 46 -0.148 -9.923 0.706 1.00 0.00 C ATOM 751 CG GLU A 46 0.206 -11.390 0.891 1.00 0.00 C ATOM 752 CD GLU A 46 1.555 -11.754 0.311 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.680 -11.789 -0.929 1.00 0.00 O ATOM 754 OE2 GLU A 46 2.489 -12.032 1.091 1.00 0.00 O ATOM 0 H GLU A 46 -1.144 -7.623 0.573 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.250 -10.273 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.058 -9.663 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.572 -9.310 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.199 -11.628 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.562 -12.005 0.422 1.00 0.00 H new ATOM 761 N TYR A 47 -1.553 -8.641 3.408 1.00 0.00 N ATOM 762 CA TYR A 47 -1.662 -8.635 4.855 1.00 0.00 C ATOM 763 C TYR A 47 -3.039 -9.128 5.281 1.00 0.00 C ATOM 764 O TYR A 47 -3.166 -9.921 6.217 1.00 0.00 O ATOM 765 CB TYR A 47 -1.410 -7.221 5.381 1.00 0.00 C ATOM 766 CG TYR A 47 -1.630 -7.035 6.866 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.639 -7.360 7.781 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.827 -6.520 7.348 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.834 -7.179 9.133 1.00 0.00 C ATOM 770 CE2 TYR A 47 -3.028 -6.336 8.699 1.00 0.00 C ATOM 771 CZ TYR A 47 -2.031 -6.667 9.588 1.00 0.00 C ATOM 772 OH TYR A 47 -2.229 -6.487 10.934 1.00 0.00 O ATOM 0 H TYR A 47 -1.386 -7.722 2.998 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.914 -9.307 5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.384 -6.941 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.061 -6.530 4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.300 -7.761 7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.612 -6.260 6.653 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.053 -7.437 9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.964 -5.934 9.058 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.124 -6.117 11.086 1.00 0.00 H new ATOM 782 N LEU A 48 -4.068 -8.660 4.581 1.00 0.00 N ATOM 783 CA LEU A 48 -5.424 -9.121 4.827 1.00 0.00 C ATOM 784 C LEU A 48 -5.544 -10.584 4.437 1.00 0.00 C ATOM 785 O LEU A 48 -5.922 -11.425 5.245 1.00 0.00 O ATOM 786 CB LEU A 48 -6.438 -8.297 4.023 1.00 0.00 C ATOM 787 CG LEU A 48 -6.376 -6.783 4.227 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.451 -6.092 3.403 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.518 -6.430 5.698 1.00 0.00 C ATOM 0 H LEU A 48 -3.986 -7.963 3.841 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.640 -8.999 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.291 -8.508 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.441 -8.639 4.280 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.402 -6.431 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.393 -5.015 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.299 -6.314 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.433 -6.451 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.471 -5.348 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.476 -6.795 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.709 -6.894 6.263 1.00 0.00 H new ATOM 801 N ASP A 49 -5.162 -10.869 3.200 1.00 0.00 N ATOM 802 CA ASP A 49 -5.322 -12.193 2.603 1.00 0.00 C ATOM 803 C ASP A 49 -4.553 -13.278 3.360 1.00 0.00 C ATOM 804 O ASP A 49 -4.876 -14.461 3.260 1.00 0.00 O ATOM 805 CB ASP A 49 -4.864 -12.142 1.144 1.00 0.00 C ATOM 806 CG ASP A 49 -5.128 -13.431 0.396 1.00 0.00 C ATOM 807 OD1 ASP A 49 -6.305 -13.721 0.095 1.00 0.00 O ATOM 808 OD2 ASP A 49 -4.155 -14.148 0.073 1.00 0.00 O ATOM 0 H ASP A 49 -4.730 -10.187 2.577 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.377 -12.460 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.374 -11.323 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.797 -11.921 1.111 1.00 0.00 H new ATOM 813 N ASN A 50 -3.550 -12.878 4.129 1.00 0.00 N ATOM 814 CA ASN A 50 -2.693 -13.835 4.814 1.00 0.00 C ATOM 815 C ASN A 50 -3.389 -14.416 6.046 1.00 0.00 C ATOM 816 O ASN A 50 -3.605 -15.627 6.124 1.00 0.00 O ATOM 817 CB ASN A 50 -1.369 -13.175 5.206 1.00 0.00 C ATOM 818 CG ASN A 50 -0.259 -14.182 5.445 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.501 -15.307 5.882 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.965 -13.787 5.143 1.00 0.00 N ATOM 0 H ASN A 50 -3.310 -11.900 4.294 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.486 -14.657 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.065 -12.485 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.517 -12.583 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.752 -14.423 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.123 -12.846 4.783 1.00 0.00 H new ATOM 827 N HIS A 51 -3.760 -13.563 6.999 1.00 0.00 N ATOM 828 CA HIS A 51 -4.396 -14.048 8.227 1.00 0.00 C ATOM 829 C HIS A 51 -5.920 -14.028 8.130 1.00 0.00 C ATOM 830 O HIS A 51 -6.610 -14.547 9.005 1.00 0.00 O ATOM 831 CB HIS A 51 -3.926 -13.276 9.471 1.00 0.00 C ATOM 832 CG HIS A 51 -4.029 -11.781 9.391 1.00 0.00 C ATOM 833 ND1 HIS A 51 -5.224 -11.097 9.347 1.00 0.00 N ATOM 834 CD2 HIS A 51 -3.062 -10.836 9.384 1.00 0.00 C ATOM 835 CE1 HIS A 51 -4.986 -9.802 9.316 1.00 0.00 C ATOM 836 NE2 HIS A 51 -3.681 -9.611 9.342 1.00 0.00 N ATOM 0 H HIS A 51 -3.636 -12.552 6.950 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.080 -15.085 8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.508 -13.616 10.327 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.887 -13.539 9.667 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.149 -11.527 9.340 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.997 -11.012 9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.735 -9.025 9.276 1.00 0.00 H new ATOM 845 N ASP A 52 -6.441 -13.434 7.067 1.00 0.00 N ATOM 846 CA ASP A 52 -7.879 -13.429 6.807 1.00 0.00 C ATOM 847 C ASP A 52 -8.132 -13.842 5.368 1.00 0.00 C ATOM 848 O ASP A 52 -8.416 -13.014 4.497 1.00 0.00 O ATOM 849 CB ASP A 52 -8.494 -12.051 7.084 1.00 0.00 C ATOM 850 CG ASP A 52 -8.742 -11.801 8.561 1.00 0.00 C ATOM 851 OD1 ASP A 52 -7.765 -11.579 9.306 1.00 0.00 O ATOM 852 OD2 ASP A 52 -9.916 -11.818 8.984 1.00 0.00 O ATOM 0 H ASP A 52 -5.887 -12.945 6.364 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.355 -14.141 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.831 -11.278 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.436 -11.964 6.543 1.00 0.00 H new ATOM 857 N LYS A 53 -8.013 -15.134 5.126 1.00 0.00 N ATOM 858 CA LYS A 53 -8.122 -15.683 3.785 1.00 0.00 C ATOM 859 C LYS A 53 -9.585 -15.808 3.376 1.00 0.00 C ATOM 860 O LYS A 53 -9.943 -15.607 2.213 1.00 0.00 O ATOM 861 CB LYS A 53 -7.446 -17.058 3.731 1.00 0.00 C ATOM 862 CG LYS A 53 -7.247 -17.595 2.323 1.00 0.00 C ATOM 863 CD LYS A 53 -6.160 -16.828 1.590 1.00 0.00 C ATOM 864 CE LYS A 53 -5.989 -17.317 0.165 1.00 0.00 C ATOM 865 NZ LYS A 53 -4.838 -16.662 -0.508 1.00 0.00 N ATOM 0 H LYS A 53 -7.839 -15.831 5.850 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.623 -15.008 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.476 -16.994 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.046 -17.769 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.983 -18.651 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.183 -17.524 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.406 -15.766 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.217 -16.933 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.843 -18.397 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.901 -17.119 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.128 -16.336 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.522 -15.848 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.057 -17.343 -0.601 1.00 0.00 H new ATOM 879 N GLN A 54 -10.426 -16.140 4.341 1.00 0.00 N ATOM 880 CA GLN A 54 -11.847 -16.319 4.090 1.00 0.00 C ATOM 881 C GLN A 54 -12.597 -14.996 4.236 1.00 0.00 C ATOM 882 O GLN A 54 -12.579 -14.377 5.299 1.00 0.00 O ATOM 883 CB GLN A 54 -12.420 -17.362 5.051 1.00 0.00 C ATOM 884 CG GLN A 54 -11.756 -18.726 4.932 1.00 0.00 C ATOM 885 CD GLN A 54 -12.253 -19.718 5.966 1.00 0.00 C ATOM 886 OE1 GLN A 54 -12.641 -19.342 7.071 1.00 0.00 O ATOM 887 NE2 GLN A 54 -12.244 -20.993 5.613 1.00 0.00 N ATOM 0 H GLN A 54 -10.148 -16.292 5.311 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.975 -16.670 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.310 -17.001 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.488 -17.469 4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.938 -19.127 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.677 -18.610 5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.914 -21.263 4.686 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.567 -21.706 6.267 1.00 0.00 H new ATOM 896 N LYS A 55 -13.242 -14.568 3.158 1.00 0.00 N ATOM 897 CA LYS A 55 -14.050 -13.351 3.173 1.00 0.00 C ATOM 898 C LYS A 55 -15.232 -13.507 2.223 1.00 0.00 C ATOM 899 O LYS A 55 -15.851 -12.529 1.796 1.00 0.00 O ATOM 900 CB LYS A 55 -13.218 -12.102 2.809 1.00 0.00 C ATOM 901 CG LYS A 55 -12.759 -12.008 1.352 1.00 0.00 C ATOM 902 CD LYS A 55 -11.657 -13.003 1.017 1.00 0.00 C ATOM 903 CE LYS A 55 -10.908 -12.610 -0.249 1.00 0.00 C ATOM 904 NZ LYS A 55 -11.803 -12.484 -1.431 1.00 0.00 N ATOM 0 H LYS A 55 -13.222 -15.047 2.258 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.420 -13.203 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.808 -11.215 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.337 -12.076 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.611 -12.182 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.403 -10.997 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.957 -13.064 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.089 -13.996 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.396 -11.662 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.140 -13.355 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.230 -12.332 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.361 -13.355 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.444 -11.676 -1.296 1.00 0.00 H new ATOM 918 N LYS A 56 -15.543 -14.758 1.916 1.00 0.00 N ATOM 919 CA LYS A 56 -16.636 -15.088 1.017 1.00 0.00 C ATOM 920 C LYS A 56 -17.858 -15.497 1.826 1.00 0.00 C ATOM 921 O LYS A 56 -18.837 -14.728 1.860 1.00 0.00 O ATOM 922 CB LYS A 56 -16.219 -16.211 0.059 1.00 0.00 C ATOM 923 CG LYS A 56 -17.309 -16.631 -0.922 1.00 0.00 C ATOM 924 CD LYS A 56 -16.772 -17.589 -1.979 1.00 0.00 C ATOM 925 CE LYS A 56 -16.242 -18.880 -1.367 1.00 0.00 C ATOM 926 NZ LYS A 56 -17.324 -19.724 -0.795 1.00 0.00 N ATOM 927 OXT LYS A 56 -17.810 -16.564 2.473 1.00 0.00 O ATOM 0 H LYS A 56 -15.046 -15.570 2.282 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.886 -14.211 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.344 -15.887 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.918 -17.080 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.125 -17.108 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.723 -15.747 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.564 -17.824 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.975 -17.100 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.708 -19.447 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.522 -18.639 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.919 -20.612 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.786 -19.215 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.026 -19.936 -1.533 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 18.239 16.153 17.836 1.00 0.00 N ATOM 943 CA GLY B 2 17.808 15.763 16.473 1.00 0.00 C ATOM 944 C GLY B 2 18.987 15.474 15.572 1.00 0.00 C ATOM 945 O GLY B 2 20.135 15.550 16.014 1.00 0.00 O ATOM 0 HA2 GLY B 2 17.171 14.881 16.532 1.00 0.00 H new ATOM 0 HA3 GLY B 2 17.207 16.562 16.039 1.00 0.00 H new ATOM 951 N ARG B 3 18.701 15.154 14.309 1.00 0.00 N ATOM 952 CA ARG B 3 19.737 14.848 13.319 1.00 0.00 C ATOM 953 C ARG B 3 20.718 13.791 13.828 1.00 0.00 C ATOM 954 O ARG B 3 21.843 14.119 14.208 1.00 0.00 O ATOM 955 CB ARG B 3 20.498 16.122 12.933 1.00 0.00 C ATOM 956 CG ARG B 3 19.830 16.944 11.841 1.00 0.00 C ATOM 957 CD ARG B 3 20.001 16.299 10.472 1.00 0.00 C ATOM 958 NE ARG B 3 21.409 16.012 10.186 1.00 0.00 N ATOM 959 CZ ARG B 3 21.897 15.685 8.988 1.00 0.00 C ATOM 960 NH1 ARG B 3 21.117 15.670 7.906 1.00 0.00 N ATOM 961 NH2 ARG B 3 23.185 15.399 8.871 1.00 0.00 N ATOM 0 H ARG B 3 17.750 15.100 13.944 1.00 0.00 H new ATOM 0 HA ARG B 3 19.236 14.443 12.440 1.00 0.00 H new ATOM 0 HB2 ARG B 3 20.614 16.744 13.820 1.00 0.00 H new ATOM 0 HB3 ARG B 3 21.500 15.847 12.603 1.00 0.00 H new ATOM 0 HG2 ARG B 3 18.768 17.052 12.063 1.00 0.00 H new ATOM 0 HG3 ARG B 3 20.256 17.947 11.827 1.00 0.00 H new ATOM 0 HD2 ARG B 3 19.424 15.375 10.429 1.00 0.00 H new ATOM 0 HD3 ARG B 3 19.600 16.961 9.704 1.00 0.00 H new ATOM 0 HE ARG B 3 22.067 16.066 10.963 1.00 0.00 H new ATOM 0 HH11 ARG B 3 20.129 15.911 7.986 1.00 0.00 H new ATOM 0 HH12 ARG B 3 21.508 15.417 6.999 1.00 0.00 H new ATOM 0 HH21 ARG B 3 23.791 15.430 9.691 1.00 0.00 H new ATOM 0 HH22 ARG B 3 23.571 15.147 7.961 1.00 0.00 H new ATOM 975 N PRO B 4 20.307 12.509 13.846 1.00 0.00 N ATOM 976 CA PRO B 4 21.178 11.410 14.280 1.00 0.00 C ATOM 977 C PRO B 4 22.449 11.342 13.439 1.00 0.00 C ATOM 978 O PRO B 4 23.558 11.463 13.958 1.00 0.00 O ATOM 979 CB PRO B 4 20.317 10.157 14.079 1.00 0.00 C ATOM 980 CG PRO B 4 18.912 10.654 14.062 1.00 0.00 C ATOM 981 CD PRO B 4 18.968 12.030 13.462 1.00 0.00 C ATOM 0 HA PRO B 4 21.517 11.529 15.309 1.00 0.00 H new ATOM 0 HB2 PRO B 4 20.568 9.651 13.147 1.00 0.00 H new ATOM 0 HB3 PRO B 4 20.472 9.438 14.884 1.00 0.00 H new ATOM 0 HG2 PRO B 4 18.273 9.997 13.473 1.00 0.00 H new ATOM 0 HG3 PRO B 4 18.496 10.684 15.069 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.845 12.003 12.379 1.00 0.00 H new ATOM 0 HD3 PRO B 4 18.182 12.674 13.856 1.00 0.00 H new ATOM 989 N TYR B 5 22.281 11.154 12.137 1.00 0.00 N ATOM 990 CA TYR B 5 23.403 11.211 11.211 1.00 0.00 C ATOM 991 C TYR B 5 22.934 11.603 9.812 1.00 0.00 C ATOM 992 O TYR B 5 23.686 12.192 9.037 1.00 0.00 O ATOM 993 CB TYR B 5 24.179 9.884 11.181 1.00 0.00 C ATOM 994 CG TYR B 5 23.368 8.673 10.771 1.00 0.00 C ATOM 995 CD1 TYR B 5 23.230 8.326 9.433 1.00 0.00 C ATOM 996 CD2 TYR B 5 22.763 7.865 11.723 1.00 0.00 C ATOM 997 CE1 TYR B 5 22.506 7.213 9.056 1.00 0.00 C ATOM 998 CE2 TYR B 5 22.041 6.747 11.356 1.00 0.00 C ATOM 999 CZ TYR B 5 21.914 6.426 10.022 1.00 0.00 C ATOM 1000 OH TYR B 5 21.194 5.313 9.652 1.00 0.00 O ATOM 0 H TYR B 5 21.380 10.961 11.699 1.00 0.00 H new ATOM 0 HA TYR B 5 24.087 11.981 11.569 1.00 0.00 H new ATOM 0 HB2 TYR B 5 25.019 9.988 10.495 1.00 0.00 H new ATOM 0 HB3 TYR B 5 24.597 9.703 12.171 1.00 0.00 H new ATOM 0 HD1 TYR B 5 23.697 8.937 8.675 1.00 0.00 H new ATOM 0 HD2 TYR B 5 22.859 8.115 12.769 1.00 0.00 H new ATOM 0 HE1 TYR B 5 22.404 6.960 8.011 1.00 0.00 H new ATOM 0 HE2 TYR B 5 21.578 6.128 12.110 1.00 0.00 H new ATOM 0 HH TYR B 5 21.048 4.742 10.435 1.00 0.00 H new ATOM 1010 N LYS B 6 21.685 11.281 9.492 1.00 0.00 N ATOM 1011 CA LYS B 6 21.112 11.646 8.204 1.00 0.00 C ATOM 1012 C LYS B 6 19.632 11.975 8.355 1.00 0.00 C ATOM 1013 O LYS B 6 18.817 11.096 8.636 1.00 0.00 O ATOM 1014 CB LYS B 6 21.305 10.513 7.189 1.00 0.00 C ATOM 1015 CG LYS B 6 20.679 10.794 5.829 1.00 0.00 C ATOM 1016 CD LYS B 6 21.002 9.702 4.819 1.00 0.00 C ATOM 1017 CE LYS B 6 22.484 9.677 4.480 1.00 0.00 C ATOM 1018 NZ LYS B 6 22.809 8.637 3.467 1.00 0.00 N ATOM 0 H LYS B 6 21.052 10.769 10.107 1.00 0.00 H new ATOM 0 HA LYS B 6 21.630 12.532 7.836 1.00 0.00 H new ATOM 0 HB2 LYS B 6 22.372 10.333 7.057 1.00 0.00 H new ATOM 0 HB3 LYS B 6 20.875 9.597 7.594 1.00 0.00 H new ATOM 0 HG2 LYS B 6 19.598 10.880 5.938 1.00 0.00 H new ATOM 0 HG3 LYS B 6 21.039 11.753 5.455 1.00 0.00 H new ATOM 0 HD2 LYS B 6 20.703 8.734 5.221 1.00 0.00 H new ATOM 0 HD3 LYS B 6 20.422 9.863 3.910 1.00 0.00 H new ATOM 0 HE2 LYS B 6 22.786 10.655 4.105 1.00 0.00 H new ATOM 0 HE3 LYS B 6 23.060 9.492 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 23.829 8.655 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 22.545 7.700 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 22.280 8.827 2.592 1.00 0.00 H new ATOM 1032 N LEU B 7 19.305 13.251 8.177 1.00 0.00 N ATOM 1033 CA LEU B 7 17.929 13.729 8.290 1.00 0.00 C ATOM 1034 C LEU B 7 17.355 13.387 9.662 1.00 0.00 C ATOM 1035 O LEU B 7 18.050 13.490 10.674 1.00 0.00 O ATOM 1036 CB LEU B 7 17.041 13.138 7.180 1.00 0.00 C ATOM 1037 CG LEU B 7 17.162 13.789 5.793 1.00 0.00 C ATOM 1038 CD1 LEU B 7 18.538 13.565 5.185 1.00 0.00 C ATOM 1039 CD2 LEU B 7 16.078 13.256 4.869 1.00 0.00 C ATOM 0 H LEU B 7 19.981 13.980 7.951 1.00 0.00 H new ATOM 0 HA LEU B 7 17.942 14.813 8.173 1.00 0.00 H new ATOM 0 HB2 LEU B 7 17.275 12.078 7.082 1.00 0.00 H new ATOM 0 HB3 LEU B 7 16.001 13.206 7.501 1.00 0.00 H new ATOM 0 HG LEU B 7 17.030 14.864 5.915 1.00 0.00 H new ATOM 0 HD11 LEU B 7 18.584 14.040 4.205 1.00 0.00 H new ATOM 0 HD12 LEU B 7 19.298 13.999 5.835 1.00 0.00 H new ATOM 0 HD13 LEU B 7 18.719 12.495 5.079 1.00 0.00 H new ATOM 0 HD21 LEU B 7 16.173 13.724 3.889 1.00 0.00 H new ATOM 0 HD22 LEU B 7 16.185 12.176 4.767 1.00 0.00 H new ATOM 0 HD23 LEU B 7 15.098 13.486 5.287 1.00 0.00 H new ATOM 1051 N LEU B 8 16.094 12.979 9.694 1.00 0.00 N ATOM 1052 CA LEU B 8 15.464 12.541 10.934 1.00 0.00 C ATOM 1053 C LEU B 8 15.624 11.032 11.092 1.00 0.00 C ATOM 1054 O LEU B 8 15.042 10.427 11.990 1.00 0.00 O ATOM 1055 CB LEU B 8 13.972 12.888 10.930 1.00 0.00 C ATOM 1056 CG LEU B 8 13.628 14.350 10.644 1.00 0.00 C ATOM 1057 CD1 LEU B 8 12.122 14.541 10.618 1.00 0.00 C ATOM 1058 CD2 LEU B 8 14.255 15.264 11.683 1.00 0.00 C ATOM 0 H LEU B 8 15.486 12.942 8.876 1.00 0.00 H new ATOM 0 HA LEU B 8 15.949 13.053 11.765 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.476 12.266 10.185 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.553 12.619 11.900 1.00 0.00 H new ATOM 0 HG LEU B 8 14.033 14.612 9.667 1.00 0.00 H new ATOM 0 HD11 LEU B 8 11.891 15.586 10.413 1.00 0.00 H new ATOM 0 HD12 LEU B 8 11.689 13.915 9.838 1.00 0.00 H new ATOM 0 HD13 LEU B 8 11.703 14.259 11.584 1.00 0.00 H new ATOM 0 HD21 LEU B 8 13.997 16.299 11.460 1.00 0.00 H new ATOM 0 HD22 LEU B 8 13.880 15.002 12.672 1.00 0.00 H new ATOM 0 HD23 LEU B 8 15.339 15.148 11.663 1.00 0.00 H new ATOM 1070 N ASN B 9 16.430 10.440 10.207 1.00 0.00 N ATOM 1071 CA ASN B 9 16.566 8.985 10.109 1.00 0.00 C ATOM 1072 C ASN B 9 15.224 8.350 9.774 1.00 0.00 C ATOM 1073 O ASN B 9 14.942 7.205 10.133 1.00 0.00 O ATOM 1074 CB ASN B 9 17.158 8.381 11.384 1.00 0.00 C ATOM 1075 CG ASN B 9 18.597 7.955 11.183 1.00 0.00 C ATOM 1076 OD1 ASN B 9 19.526 8.747 11.358 1.00 0.00 O ATOM 1077 ND2 ASN B 9 18.791 6.698 10.813 1.00 0.00 N ATOM 0 H ASN B 9 17.005 10.954 9.540 1.00 0.00 H new ATOM 0 HA ASN B 9 17.265 8.769 9.301 1.00 0.00 H new ATOM 0 HB2 ASN B 9 17.103 9.110 12.192 1.00 0.00 H new ATOM 0 HB3 ASN B 9 16.563 7.521 11.690 1.00 0.00 H new ATOM 0 HD21 ASN B 9 19.738 6.351 10.662 1.00 0.00 H new ATOM 0 HD22 ASN B 9 17.993 6.077 10.680 1.00 0.00 H new ATOM 1084 N GLY B 10 14.420 9.112 9.052 1.00 0.00 N ATOM 1085 CA GLY B 10 13.110 8.671 8.639 1.00 0.00 C ATOM 1086 C GLY B 10 12.627 9.502 7.479 1.00 0.00 C ATOM 1087 O GLY B 10 12.825 10.718 7.459 1.00 0.00 O ATOM 0 H GLY B 10 14.662 10.052 8.739 1.00 0.00 H new ATOM 0 HA2 GLY B 10 13.145 7.620 8.354 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.411 8.753 9.471 1.00 0.00 H new ATOM 1091 N ILE B 11 12.013 8.854 6.504 1.00 0.00 N ATOM 1092 CA ILE B 11 11.650 9.521 5.263 1.00 0.00 C ATOM 1093 C ILE B 11 10.140 9.470 5.087 1.00 0.00 C ATOM 1094 O ILE B 11 9.496 8.494 5.498 1.00 0.00 O ATOM 1095 CB ILE B 11 12.354 8.892 4.025 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.882 8.860 4.198 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.003 9.660 2.759 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.382 7.757 5.107 1.00 0.00 C ATOM 0 H ILE B 11 11.755 7.868 6.546 1.00 0.00 H new ATOM 0 HA ILE B 11 11.986 10.556 5.330 1.00 0.00 H new ATOM 0 HB ILE B 11 11.995 7.866 3.938 1.00 0.00 H new ATOM 0 HG12 ILE B 11 14.345 8.745 3.218 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.211 9.820 4.595 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.505 9.204 1.906 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.925 9.631 2.603 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.327 10.696 2.860 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.469 7.806 5.174 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.951 7.881 6.100 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.087 6.789 4.701 1.00 0.00 H new ATOM 1110 N LYS B 12 9.586 10.498 4.457 1.00 0.00 N ATOM 1111 CA LYS B 12 8.146 10.681 4.406 1.00 0.00 C ATOM 1112 C LYS B 12 7.594 10.195 3.083 1.00 0.00 C ATOM 1113 O LYS B 12 8.018 10.626 2.011 1.00 0.00 O ATOM 1114 CB LYS B 12 7.800 12.159 4.615 1.00 0.00 C ATOM 1115 CG LYS B 12 6.313 12.482 4.553 1.00 0.00 C ATOM 1116 CD LYS B 12 5.503 11.615 5.501 1.00 0.00 C ATOM 1117 CE LYS B 12 4.120 12.195 5.759 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.407 12.566 4.505 1.00 0.00 N ATOM 0 H LYS B 12 10.118 11.221 3.972 1.00 0.00 H new ATOM 0 HA LYS B 12 7.691 10.094 5.203 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.186 12.474 5.584 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.317 12.749 3.859 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.159 13.532 4.801 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.953 12.339 3.534 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.404 10.613 5.082 1.00 0.00 H new ATOM 0 HD3 LYS B 12 6.036 11.514 6.446 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.523 11.468 6.310 1.00 0.00 H new ATOM 0 HE3 LYS B 12 4.213 13.077 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.412 12.778 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.856 13.405 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.454 11.775 3.832 1.00 0.00 H new ATOM 1132 N LEU B 13 6.654 9.279 3.182 1.00 0.00 N ATOM 1133 CA LEU B 13 6.017 8.689 2.029 1.00 0.00 C ATOM 1134 C LEU B 13 4.520 8.898 2.118 1.00 0.00 C ATOM 1135 O LEU B 13 3.999 9.240 3.183 1.00 0.00 O ATOM 1136 CB LEU B 13 6.340 7.192 1.936 1.00 0.00 C ATOM 1137 CG LEU B 13 6.140 6.391 3.230 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.856 4.931 2.911 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.371 6.498 4.123 1.00 0.00 C ATOM 0 H LEU B 13 6.309 8.922 4.073 1.00 0.00 H new ATOM 0 HA LEU B 13 6.397 9.173 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.718 6.752 1.157 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.376 7.081 1.617 1.00 0.00 H new ATOM 0 HG LEU B 13 5.285 6.810 3.761 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.717 4.376 3.839 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.952 4.860 2.306 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.696 4.509 2.359 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.210 5.924 5.035 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.239 6.104 3.595 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.545 7.543 4.378 1.00 0.00 H new ATOM 1151 N GLY B 14 3.833 8.688 1.014 1.00 0.00 N ATOM 1152 CA GLY B 14 2.409 8.892 1.000 1.00 0.00 C ATOM 1153 C GLY B 14 1.690 7.875 0.153 1.00 0.00 C ATOM 1154 O GLY B 14 1.947 7.758 -1.044 1.00 0.00 O ATOM 0 H GLY B 14 4.235 8.380 0.129 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.028 8.845 2.020 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.192 9.892 0.624 1.00 0.00 H new ATOM 1158 N VAL B 15 0.793 7.136 0.780 1.00 0.00 N ATOM 1159 CA VAL B 15 0.019 6.119 0.094 1.00 0.00 C ATOM 1160 C VAL B 15 -1.406 6.628 -0.113 1.00 0.00 C ATOM 1161 O VAL B 15 -1.856 7.529 0.600 1.00 0.00 O ATOM 1162 CB VAL B 15 0.019 4.785 0.894 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.682 3.673 0.127 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.443 4.375 1.240 1.00 0.00 C ATOM 0 H VAL B 15 0.582 7.223 1.774 1.00 0.00 H new ATOM 0 HA VAL B 15 0.474 5.918 -0.876 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.536 4.951 1.817 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.663 2.756 0.716 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.716 3.959 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.170 3.506 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.427 3.440 1.800 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.016 4.239 0.323 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.908 5.152 1.846 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.098 6.094 -1.104 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.473 6.481 -1.363 1.00 0.00 C ATOM 1176 C TYR B 16 -4.330 5.235 -1.525 1.00 0.00 C ATOM 1177 O TYR B 16 -4.058 4.397 -2.387 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.556 7.331 -2.630 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.746 8.258 -2.662 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -6.038 7.760 -2.605 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -4.578 9.632 -2.733 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -7.125 8.601 -2.617 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.665 10.483 -2.745 1.00 0.00 C ATOM 1184 CZ TYR B 16 -6.939 9.963 -2.687 1.00 0.00 C ATOM 1185 OH TYR B 16 -8.028 10.809 -2.704 1.00 0.00 O ATOM 0 H TYR B 16 -1.729 5.390 -1.743 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.839 7.069 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.644 7.921 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.597 6.672 -3.497 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.193 6.693 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.581 10.044 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.124 8.194 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.517 11.551 -2.800 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.720 11.738 -2.755 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.367 5.116 -0.706 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.202 3.919 -0.706 1.00 0.00 C ATOM 1197 C ILE B 17 -7.677 4.273 -0.497 1.00 0.00 C ATOM 1198 O ILE B 17 -8.000 5.291 0.125 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.750 2.889 0.360 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.774 3.481 1.765 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.359 2.361 0.042 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.423 2.471 2.840 1.00 0.00 C ATOM 0 H ILE B 17 -5.650 5.830 -0.035 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.084 3.459 -1.687 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.460 2.063 0.331 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.073 4.314 1.814 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.766 3.887 1.965 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.061 1.639 0.803 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.368 1.876 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.650 3.189 0.029 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.457 2.953 3.817 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.139 1.649 2.815 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.420 2.084 2.662 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.581 3.428 -1.028 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.034 3.676 -1.031 1.00 0.00 C ATOM 1216 C PRO B 18 -10.668 3.754 0.363 1.00 0.00 C ATOM 1217 O PRO B 18 -10.090 3.315 1.362 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.606 2.476 -1.798 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.556 1.425 -1.714 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.250 2.159 -1.700 1.00 0.00 C ATOM 0 HA PRO B 18 -10.250 4.648 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.542 2.135 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.821 2.737 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.676 0.822 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.614 0.745 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.483 1.605 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.871 2.325 -2.708 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.880 4.309 0.402 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.645 4.445 1.640 1.00 0.00 C ATOM 1230 C GLN B 19 -12.980 3.079 2.238 1.00 0.00 C ATOM 1231 O GLN B 19 -12.860 2.884 3.441 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.931 5.242 1.387 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.919 5.210 2.549 1.00 0.00 C ATOM 1234 CD GLN B 19 -14.301 5.638 3.868 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -13.395 6.468 3.908 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -14.785 5.057 4.954 1.00 0.00 N ATOM 0 H GLN B 19 -12.357 4.676 -0.422 1.00 0.00 H new ATOM 0 HA GLN B 19 -12.027 4.985 2.358 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.668 6.278 1.175 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -14.421 4.849 0.496 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.761 5.863 2.320 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -15.317 4.201 2.652 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -15.538 4.373 4.874 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -14.405 5.293 5.871 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.384 2.139 1.387 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.679 0.769 1.821 1.00 0.00 C ATOM 1247 C GLU B 20 -12.526 0.202 2.643 1.00 0.00 C ATOM 1248 O GLU B 20 -12.717 -0.417 3.701 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.905 -0.116 0.595 1.00 0.00 C ATOM 1250 CG GLU B 20 -15.212 0.155 -0.125 1.00 0.00 C ATOM 1251 CD GLU B 20 -16.380 -0.532 0.544 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -16.874 -0.022 1.569 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.805 -1.596 0.055 1.00 0.00 O ATOM 0 H GLU B 20 -13.516 2.299 0.388 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.576 0.788 2.440 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.080 0.029 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.881 -1.161 0.904 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.393 1.229 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.134 -0.185 -1.158 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.330 0.498 2.179 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.121 -0.064 2.733 1.00 0.00 C ATOM 1262 C TRP B 21 -9.747 0.698 4.002 1.00 0.00 C ATOM 1263 O TRP B 21 -9.188 0.136 4.943 1.00 0.00 O ATOM 1264 CB TRP B 21 -9.029 0.055 1.674 1.00 0.00 C ATOM 1265 CG TRP B 21 -7.914 -0.926 1.800 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -7.733 -1.868 2.768 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.816 -1.054 0.901 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -6.573 -2.562 2.531 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -5.994 -2.077 1.389 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.447 -0.390 -0.270 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -4.823 -2.451 0.745 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -5.285 -0.758 -0.905 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.484 -1.779 -0.396 1.00 0.00 C ATOM 0 H TRP B 21 -11.171 1.139 1.402 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.255 -1.112 3.000 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.485 -0.061 0.691 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -8.613 1.062 1.716 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -8.402 -2.042 3.598 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -6.203 -3.315 3.110 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -7.065 0.400 -0.671 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -4.201 -3.245 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -4.989 -0.249 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.575 -2.045 -0.915 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.101 1.979 4.029 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.942 2.792 5.227 1.00 0.00 C ATOM 1286 C HIS B 22 -10.870 2.301 6.327 1.00 0.00 C ATOM 1287 O HIS B 22 -10.442 2.068 7.446 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.249 4.265 4.938 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.058 5.077 4.545 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.570 6.108 5.317 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.272 5.029 3.445 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.537 6.659 4.713 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.333 6.024 3.574 1.00 0.00 N ATOM 0 H HIS B 22 -10.500 2.476 3.233 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.905 2.701 5.551 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.990 4.320 4.141 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.701 4.710 5.824 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.950 6.400 6.218 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.365 4.338 2.620 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.956 7.489 5.086 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.135 2.123 5.978 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.175 1.770 6.940 1.00 0.00 C ATOM 1304 C ASP B 23 -12.797 0.531 7.754 1.00 0.00 C ATOM 1305 O ASP B 23 -12.859 0.542 8.992 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.491 1.529 6.197 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.687 1.459 7.123 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.243 2.529 7.457 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.085 0.340 7.511 1.00 0.00 O ATOM 0 H ASP B 23 -12.473 2.219 5.020 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.289 2.598 7.639 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.645 2.329 5.473 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.419 0.599 5.634 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.356 -0.523 7.067 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.037 -1.778 7.750 1.00 0.00 C ATOM 1316 C ARG B 24 -10.729 -1.671 8.529 1.00 0.00 C ATOM 1317 O ARG B 24 -10.662 -2.054 9.699 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.948 -2.948 6.762 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.296 -3.506 6.323 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.099 -2.490 5.535 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.328 -3.056 4.990 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.078 -2.452 4.074 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -15.742 -1.250 3.620 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.164 -3.049 3.610 1.00 0.00 N ATOM 0 H ARG B 24 -12.213 -0.535 6.057 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.850 -1.970 8.450 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.399 -2.621 5.879 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.368 -3.750 7.219 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.139 -4.396 5.714 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.864 -3.816 7.200 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.345 -1.646 6.180 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.488 -2.101 4.720 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.629 -3.969 5.332 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -14.905 -0.787 3.974 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.321 -0.790 2.917 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.425 -3.972 3.955 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.740 -2.586 2.907 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.697 -1.138 7.892 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.382 -1.060 8.518 1.00 0.00 C ATOM 1340 C LEU B 25 -8.384 -0.103 9.701 1.00 0.00 C ATOM 1341 O LEU B 25 -7.767 -0.382 10.724 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.310 -0.654 7.504 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.680 -1.815 6.722 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.888 -2.717 7.655 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -7.741 -2.627 5.991 1.00 0.00 C ATOM 0 H LEU B 25 -9.742 -0.755 6.948 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.142 -2.056 8.890 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.750 0.045 6.793 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.519 -0.119 8.029 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.004 -1.388 5.981 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.448 -3.535 7.084 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.096 -2.141 8.132 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.552 -3.123 8.418 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -7.264 -3.442 5.446 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -8.447 -3.037 6.713 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -8.272 -1.984 5.290 1.00 0.00 H new ATOM 1357 N MET B 26 -9.071 1.019 9.565 1.00 0.00 N ATOM 1358 CA MET B 26 -9.163 1.987 10.649 1.00 0.00 C ATOM 1359 C MET B 26 -9.918 1.416 11.841 1.00 0.00 C ATOM 1360 O MET B 26 -9.664 1.803 12.978 1.00 0.00 O ATOM 1361 CB MET B 26 -9.812 3.287 10.177 1.00 0.00 C ATOM 1362 CG MET B 26 -8.971 4.053 9.166 1.00 0.00 C ATOM 1363 SD MET B 26 -7.380 4.587 9.833 1.00 0.00 S ATOM 1364 CE MET B 26 -7.909 5.645 11.178 1.00 0.00 C ATOM 0 H MET B 26 -9.573 1.283 8.717 1.00 0.00 H new ATOM 0 HA MET B 26 -8.146 2.211 10.970 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.781 3.060 9.733 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.998 3.925 11.041 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.800 3.424 8.293 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.528 4.926 8.826 1.00 0.00 H new ATOM 0 HE1 MET B 26 -7.084 6.291 11.479 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.749 6.258 10.850 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.216 5.031 12.025 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.841 0.495 11.586 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.532 -0.192 12.671 1.00 0.00 C ATOM 1376 C GLU B 27 -10.510 -0.979 13.496 1.00 0.00 C ATOM 1377 O GLU B 27 -10.486 -0.917 14.733 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.594 -1.136 12.099 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.676 -1.524 13.092 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.597 -0.368 13.416 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.553 -0.132 12.647 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -14.376 0.312 14.432 1.00 0.00 O ATOM 0 H GLU B 27 -11.126 0.209 10.649 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.028 0.538 13.311 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.061 -0.661 11.236 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.105 -2.041 11.739 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.261 -2.349 12.685 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.212 -1.884 14.010 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.637 -1.686 12.787 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.555 -2.432 13.417 1.00 0.00 C ATOM 1391 C ILE B 28 -7.588 -1.467 14.103 1.00 0.00 C ATOM 1392 O ILE B 28 -7.072 -1.739 15.188 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.787 -3.279 12.377 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.751 -4.215 11.642 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.674 -4.075 13.043 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.100 -5.019 10.537 1.00 0.00 C ATOM 0 H ILE B 28 -9.659 -1.758 11.770 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.991 -3.103 14.157 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.333 -2.604 11.651 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.197 -4.900 12.363 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.564 -3.625 11.218 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.148 -4.663 12.291 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.975 -3.391 13.524 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.101 -4.742 13.792 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -8.846 -5.658 10.064 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -7.678 -4.342 9.794 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.306 -5.637 10.956 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.382 -0.324 13.457 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.481 0.709 13.952 1.00 0.00 C ATOM 1410 C ALA B 29 -6.947 1.262 15.296 1.00 0.00 C ATOM 1411 O ALA B 29 -6.144 1.752 16.086 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.351 1.827 12.926 1.00 0.00 C ATOM 0 H ALA B 29 -7.836 -0.088 12.575 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.502 0.256 14.107 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.676 2.593 13.306 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.953 1.422 11.995 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.331 2.267 12.741 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.239 1.160 15.570 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.763 1.616 16.848 1.00 0.00 C ATOM 1420 C LYS B 30 -8.429 0.598 17.914 1.00 0.00 C ATOM 1421 O LYS B 30 -7.770 0.905 18.906 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.283 1.759 16.814 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.835 2.631 15.709 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.347 2.516 15.686 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.975 3.262 14.528 1.00 0.00 C ATOM 1426 NZ LYS B 30 -14.435 2.991 14.456 1.00 0.00 N ATOM 0 H LYS B 30 -8.935 0.771 14.934 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.313 2.586 17.060 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.721 0.765 16.721 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.613 2.164 17.771 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.540 3.668 15.868 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.421 2.325 14.748 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.626 1.464 15.628 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.750 2.902 16.622 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.804 4.332 14.644 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.498 2.962 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.796 3.278 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.607 1.975 14.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.925 3.530 15.198 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.871 -0.624 17.674 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.747 -1.698 18.647 1.00 0.00 C ATOM 1442 C GLU B 31 -7.284 -2.001 18.975 1.00 0.00 C ATOM 1443 O GLU B 31 -6.964 -2.402 20.092 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.445 -2.954 18.124 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.855 -2.696 17.616 1.00 0.00 C ATOM 1446 CD GLU B 31 -11.747 -2.048 18.655 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -11.795 -0.805 18.716 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -12.408 -2.784 19.416 1.00 0.00 O ATOM 0 H GLU B 31 -9.324 -0.900 16.803 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.227 -1.372 19.570 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.849 -3.382 17.318 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.484 -3.697 18.921 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.807 -2.055 16.735 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -11.300 -3.639 17.300 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.399 -1.814 18.001 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.979 -2.104 18.197 1.00 0.00 C ATOM 1457 C LYS B 32 -4.187 -0.856 18.593 1.00 0.00 C ATOM 1458 O LYS B 32 -2.992 -0.943 18.884 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.357 -2.714 16.934 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.367 -4.244 16.874 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.704 -4.814 16.414 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.677 -5.016 17.563 1.00 0.00 C ATOM 1463 NZ LYS B 32 -6.166 -5.975 18.579 1.00 0.00 N ATOM 0 H LYS B 32 -6.636 -1.465 17.072 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.923 -2.824 19.013 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.889 -2.329 16.064 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.326 -2.370 16.854 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.582 -4.581 16.196 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.129 -4.642 17.860 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.148 -4.142 15.680 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.536 -5.767 15.913 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.875 -4.056 18.041 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -7.627 -5.379 17.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.965 -6.377 19.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.646 -6.740 18.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -5.529 -5.479 19.235 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.864 0.294 18.603 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.228 1.586 18.897 1.00 0.00 C ATOM 1479 C ASN B 33 -3.127 1.906 17.893 1.00 0.00 C ATOM 1480 O ASN B 33 -2.085 2.467 18.246 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.654 1.619 20.316 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.700 1.902 21.378 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.864 1.531 21.245 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.285 2.575 22.440 1.00 0.00 N ATOM 0 H ASN B 33 -5.863 0.359 18.409 1.00 0.00 H new ATOM 0 HA ASN B 33 -5.007 2.345 18.817 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.178 0.662 20.530 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.877 2.381 20.369 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.941 2.804 23.187 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.310 2.864 22.511 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.373 1.555 16.643 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.423 1.795 15.565 1.00 0.00 C ATOM 1493 C LEU B 34 -2.963 2.857 14.620 1.00 0.00 C ATOM 1494 O LEU B 34 -4.137 3.222 14.688 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.165 0.503 14.778 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.517 -0.639 15.562 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.419 -1.888 14.700 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.143 -0.232 16.064 1.00 0.00 C ATOM 0 H LEU B 34 -4.234 1.097 16.345 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.487 2.139 16.005 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.115 0.149 14.377 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.528 0.741 13.926 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.145 -0.862 16.424 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.955 -2.691 15.274 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.418 -2.194 14.389 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.814 -1.675 13.819 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.301 -1.058 16.619 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.494 0.020 15.216 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.237 0.635 16.717 1.00 0.00 H new ATOM 1510 N THR B 35 -2.109 3.378 13.758 1.00 0.00 N ATOM 1511 CA THR B 35 -2.572 4.251 12.699 1.00 0.00 C ATOM 1512 C THR B 35 -2.551 3.486 11.389 1.00 0.00 C ATOM 1513 O THR B 35 -1.834 2.489 11.273 1.00 0.00 O ATOM 1514 CB THR B 35 -1.713 5.525 12.557 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.401 5.189 12.083 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.604 6.258 13.885 1.00 0.00 C ATOM 0 H THR B 35 -1.102 3.214 13.770 1.00 0.00 H new ATOM 0 HA THR B 35 -3.583 4.570 12.954 1.00 0.00 H new ATOM 0 HB THR B 35 -2.201 6.181 11.836 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.154 4.897 12.836 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.994 7.152 13.758 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.599 6.543 14.226 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.141 5.605 14.624 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.326 3.926 10.413 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.329 3.282 9.106 1.00 0.00 C ATOM 1526 C LEU B 36 -1.914 3.266 8.526 1.00 0.00 C ATOM 1527 O LEU B 36 -1.489 2.283 7.918 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.303 3.982 8.145 1.00 0.00 C ATOM 1529 CG LEU B 36 -3.966 5.427 7.743 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.877 5.871 6.615 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.102 6.388 8.918 1.00 0.00 C ATOM 0 H LEU B 36 -3.959 4.722 10.497 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.669 2.254 9.231 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.371 3.384 7.236 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.292 3.979 8.603 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.927 5.446 7.413 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.635 6.896 6.333 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.737 5.216 5.755 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.915 5.821 6.944 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.855 7.398 8.592 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.127 6.367 9.289 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.421 6.087 9.715 1.00 0.00 H new ATOM 1543 N SER B 37 -1.188 4.352 8.761 1.00 0.00 N ATOM 1544 CA SER B 37 0.201 4.469 8.344 1.00 0.00 C ATOM 1545 C SER B 37 1.033 3.311 8.893 1.00 0.00 C ATOM 1546 O SER B 37 1.782 2.663 8.151 1.00 0.00 O ATOM 1547 CB SER B 37 0.766 5.800 8.840 1.00 0.00 C ATOM 1548 OG SER B 37 -0.125 6.863 8.550 1.00 0.00 O ATOM 0 H SER B 37 -1.546 5.175 9.246 1.00 0.00 H new ATOM 0 HA SER B 37 0.246 4.433 7.256 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.941 5.748 9.915 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.731 5.989 8.369 1.00 0.00 H new ATOM 0 HG SER B 37 0.193 7.351 7.762 1.00 0.00 H new ATOM 1554 N ASP B 38 0.869 3.039 10.186 1.00 0.00 N ATOM 1555 CA ASP B 38 1.600 1.963 10.846 1.00 0.00 C ATOM 1556 C ASP B 38 1.234 0.627 10.236 1.00 0.00 C ATOM 1557 O ASP B 38 2.106 -0.175 9.922 1.00 0.00 O ATOM 1558 CB ASP B 38 1.305 1.917 12.351 1.00 0.00 C ATOM 1559 CG ASP B 38 1.888 3.087 13.112 1.00 0.00 C ATOM 1560 OD1 ASP B 38 3.130 3.215 13.162 1.00 0.00 O ATOM 1561 OD2 ASP B 38 1.107 3.879 13.680 1.00 0.00 O ATOM 0 H ASP B 38 0.234 3.552 10.798 1.00 0.00 H new ATOM 0 HA ASP B 38 2.662 2.162 10.704 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.226 1.896 12.502 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.703 0.990 12.764 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.058 0.417 10.032 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.557 -0.866 9.558 1.00 0.00 C ATOM 1568 C VAL B 39 0.006 -1.207 8.181 1.00 0.00 C ATOM 1569 O VAL B 39 0.423 -2.341 7.950 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.101 -0.893 9.500 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.599 -2.253 9.036 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.696 -0.546 10.855 1.00 0.00 C ATOM 0 H VAL B 39 -0.781 1.119 10.187 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.221 -1.614 10.276 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.425 -0.143 8.778 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.688 -2.250 9.003 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.206 -2.464 8.042 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.260 -3.021 9.731 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.784 -0.571 10.792 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.359 -1.270 11.597 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.372 0.452 11.150 1.00 0.00 H new ATOM 1582 N CYS B 40 0.045 -0.231 7.277 1.00 0.00 N ATOM 1583 CA CYS B 40 0.505 -0.490 5.918 1.00 0.00 C ATOM 1584 C CYS B 40 1.996 -0.849 5.899 1.00 0.00 C ATOM 1585 O CYS B 40 2.376 -1.888 5.365 1.00 0.00 O ATOM 1586 CB CYS B 40 0.217 0.702 4.995 1.00 0.00 C ATOM 1587 SG CYS B 40 -1.455 1.374 5.148 1.00 0.00 S ATOM 0 H CYS B 40 -0.233 0.734 7.458 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.053 -1.347 5.539 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.935 1.494 5.208 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.379 0.394 3.962 1.00 0.00 H new ATOM 0 HG CYS B 40 -1.552 2.050 6.254 1.00 0.00 H new ATOM 1593 N ARG B 41 2.842 0.006 6.470 1.00 0.00 N ATOM 1594 CA ARG B 41 4.276 -0.290 6.546 1.00 0.00 C ATOM 1595 C ARG B 41 4.568 -1.554 7.374 1.00 0.00 C ATOM 1596 O ARG B 41 5.483 -2.309 7.047 1.00 0.00 O ATOM 1597 CB ARG B 41 5.067 0.925 7.064 1.00 0.00 C ATOM 1598 CG ARG B 41 4.635 1.458 8.422 1.00 0.00 C ATOM 1599 CD ARG B 41 5.356 0.768 9.574 1.00 0.00 C ATOM 1600 NE ARG B 41 5.092 1.437 10.848 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.725 1.164 11.990 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.677 0.241 12.029 1.00 0.00 N ATOM 1603 NH2 ARG B 41 5.406 1.825 13.093 1.00 0.00 N ATOM 0 H ARG B 41 2.568 0.898 6.882 1.00 0.00 H new ATOM 0 HA ARG B 41 4.615 -0.499 5.531 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.121 0.654 7.118 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.982 1.730 6.334 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.828 2.530 8.466 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.560 1.322 8.537 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.036 -0.272 9.635 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.429 0.760 9.381 1.00 0.00 H new ATOM 0 HE ARG B 41 4.375 2.162 10.864 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.930 -0.267 11.181 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.156 0.039 12.907 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.679 2.540 13.067 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.888 1.619 13.968 1.00 0.00 H new ATOM 1617 N LEU B 42 3.785 -1.814 8.420 1.00 0.00 N ATOM 1618 CA LEU B 42 3.964 -3.043 9.198 1.00 0.00 C ATOM 1619 C LEU B 42 3.615 -4.245 8.340 1.00 0.00 C ATOM 1620 O LEU B 42 4.200 -5.323 8.472 1.00 0.00 O ATOM 1621 CB LEU B 42 3.100 -3.041 10.462 1.00 0.00 C ATOM 1622 CG LEU B 42 3.592 -2.127 11.584 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.602 -2.120 12.739 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.965 -2.574 12.065 1.00 0.00 C ATOM 0 H LEU B 42 3.034 -1.205 8.745 1.00 0.00 H new ATOM 0 HA LEU B 42 5.008 -3.097 9.506 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.087 -2.743 10.190 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.041 -4.060 10.844 1.00 0.00 H new ATOM 0 HG LEU B 42 3.673 -1.112 11.194 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.969 -1.464 13.529 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.635 -1.759 12.387 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.492 -3.132 13.130 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.303 -1.914 12.864 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.904 -3.596 12.439 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.672 -2.532 11.237 1.00 0.00 H new ATOM 1636 N ALA B 43 2.672 -4.040 7.440 1.00 0.00 N ATOM 1637 CA ALA B 43 2.286 -5.067 6.501 1.00 0.00 C ATOM 1638 C ALA B 43 3.357 -5.253 5.437 1.00 0.00 C ATOM 1639 O ALA B 43 3.415 -6.294 4.794 1.00 0.00 O ATOM 1640 CB ALA B 43 0.956 -4.725 5.863 1.00 0.00 C ATOM 0 H ALA B 43 2.158 -3.164 7.342 1.00 0.00 H new ATOM 0 HA ALA B 43 2.179 -6.006 7.044 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.679 -5.508 5.158 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.192 -4.645 6.636 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.039 -3.775 5.335 1.00 0.00 H new ATOM 1646 N ILE B 44 4.204 -4.241 5.251 1.00 0.00 N ATOM 1647 CA ILE B 44 5.327 -4.356 4.329 1.00 0.00 C ATOM 1648 C ILE B 44 6.293 -5.388 4.864 1.00 0.00 C ATOM 1649 O ILE B 44 6.768 -6.256 4.131 1.00 0.00 O ATOM 1650 CB ILE B 44 6.076 -3.016 4.126 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.179 -1.998 3.420 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.359 -3.232 3.329 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.854 -0.660 3.172 1.00 0.00 C ATOM 0 H ILE B 44 4.133 -3.340 5.724 1.00 0.00 H new ATOM 0 HA ILE B 44 4.928 -4.652 3.359 1.00 0.00 H new ATOM 0 HB ILE B 44 6.340 -2.623 5.108 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.853 -2.413 2.466 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.283 -1.838 4.020 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.870 -2.278 3.197 1.00 0.00 H new ATOM 0 HG22 ILE B 44 8.010 -3.922 3.867 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.115 -3.651 2.353 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.158 0.011 2.668 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.155 -0.222 4.124 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.734 -0.807 2.546 1.00 0.00 H new ATOM 1665 N LYS B 45 6.570 -5.295 6.161 1.00 0.00 N ATOM 1666 CA LYS B 45 7.411 -6.278 6.820 1.00 0.00 C ATOM 1667 C LYS B 45 6.796 -7.670 6.697 1.00 0.00 C ATOM 1668 O LYS B 45 7.506 -8.654 6.526 1.00 0.00 O ATOM 1669 CB LYS B 45 7.628 -5.929 8.295 1.00 0.00 C ATOM 1670 CG LYS B 45 8.575 -6.891 8.996 1.00 0.00 C ATOM 1671 CD LYS B 45 8.685 -6.612 10.485 1.00 0.00 C ATOM 1672 CE LYS B 45 9.585 -7.633 11.165 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.685 -7.402 12.629 1.00 0.00 N ATOM 0 H LYS B 45 6.225 -4.553 6.770 1.00 0.00 H new ATOM 0 HA LYS B 45 8.382 -6.270 6.325 1.00 0.00 H new ATOM 0 HB2 LYS B 45 8.025 -4.917 8.369 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.667 -5.933 8.810 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.228 -7.913 8.845 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.563 -6.820 8.542 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.082 -5.609 10.643 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.694 -6.637 10.938 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.198 -8.635 10.982 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.580 -7.590 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.307 -8.120 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 10.078 -6.456 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 8.739 -7.469 13.056 1.00 0.00 H new ATOM 1687 N GLU B 46 5.470 -7.737 6.767 1.00 0.00 N ATOM 1688 CA GLU B 46 4.751 -9.000 6.635 1.00 0.00 C ATOM 1689 C GLU B 46 4.878 -9.516 5.204 1.00 0.00 C ATOM 1690 O GLU B 46 5.104 -10.703 4.968 1.00 0.00 O ATOM 1691 CB GLU B 46 3.275 -8.798 6.997 1.00 0.00 C ATOM 1692 CG GLU B 46 2.444 -10.074 7.017 1.00 0.00 C ATOM 1693 CD GLU B 46 2.817 -11.006 8.152 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.826 -10.557 9.319 1.00 0.00 O ATOM 1695 OE2 GLU B 46 3.099 -12.191 7.885 1.00 0.00 O ATOM 0 H GLU B 46 4.869 -6.927 6.915 1.00 0.00 H new ATOM 0 HA GLU B 46 5.182 -9.734 7.316 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.217 -8.327 7.978 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.832 -8.103 6.284 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.389 -9.813 7.101 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.569 -10.597 6.069 1.00 0.00 H new ATOM 1702 N TYR B 47 4.771 -8.599 4.257 1.00 0.00 N ATOM 1703 CA TYR B 47 4.866 -8.929 2.845 1.00 0.00 C ATOM 1704 C TYR B 47 6.259 -9.466 2.527 1.00 0.00 C ATOM 1705 O TYR B 47 6.412 -10.446 1.794 1.00 0.00 O ATOM 1706 CB TYR B 47 4.567 -7.684 2.005 1.00 0.00 C ATOM 1707 CG TYR B 47 4.375 -7.953 0.527 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.114 -8.235 0.019 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.448 -7.915 -0.358 1.00 0.00 C ATOM 1710 CE1 TYR B 47 2.927 -8.475 -1.327 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.266 -8.152 -1.707 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.003 -8.432 -2.185 1.00 0.00 C ATOM 1713 OH TYR B 47 3.818 -8.675 -3.527 1.00 0.00 O ATOM 0 H TYR B 47 4.616 -7.608 4.444 1.00 0.00 H new ATOM 0 HA TYR B 47 4.135 -9.701 2.604 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.668 -7.207 2.394 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.384 -6.973 2.129 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.266 -8.267 0.688 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.438 -7.697 0.015 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.940 -8.696 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.108 -8.118 -2.383 1.00 0.00 H new ATOM 0 HH TYR B 47 4.677 -8.605 -3.994 1.00 0.00 H new ATOM 1723 N LEU B 48 7.272 -8.818 3.091 1.00 0.00 N ATOM 1724 CA LEU B 48 8.651 -9.260 2.928 1.00 0.00 C ATOM 1725 C LEU B 48 8.866 -10.598 3.619 1.00 0.00 C ATOM 1726 O LEU B 48 9.448 -11.512 3.045 1.00 0.00 O ATOM 1727 CB LEU B 48 9.626 -8.221 3.496 1.00 0.00 C ATOM 1728 CG LEU B 48 9.531 -6.821 2.884 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.544 -5.892 3.533 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.740 -6.878 1.378 1.00 0.00 C ATOM 0 H LEU B 48 7.163 -7.983 3.666 1.00 0.00 H new ATOM 0 HA LEU B 48 8.844 -9.375 1.861 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.458 -8.141 4.570 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.642 -8.590 3.359 1.00 0.00 H new ATOM 0 HG LEU B 48 8.532 -6.428 3.072 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.465 -4.900 3.088 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.345 -5.827 4.603 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.549 -6.282 3.374 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.669 -5.873 0.962 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.726 -7.290 1.163 1.00 0.00 H new ATOM 0 HD23 LEU B 48 8.976 -7.512 0.928 1.00 0.00 H new ATOM 1742 N ASP B 49 8.338 -10.701 4.833 1.00 0.00 N ATOM 1743 CA ASP B 49 8.546 -11.857 5.706 1.00 0.00 C ATOM 1744 C ASP B 49 8.129 -13.162 5.034 1.00 0.00 C ATOM 1745 O ASP B 49 8.837 -14.165 5.107 1.00 0.00 O ATOM 1746 CB ASP B 49 7.733 -11.670 6.988 1.00 0.00 C ATOM 1747 CG ASP B 49 8.168 -12.582 8.114 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.803 -13.774 8.108 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.866 -12.100 9.032 1.00 0.00 O ATOM 0 H ASP B 49 7.747 -9.979 5.246 1.00 0.00 H new ATOM 0 HA ASP B 49 9.611 -11.921 5.930 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.819 -10.634 7.316 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.680 -11.850 6.771 1.00 0.00 H new ATOM 1754 N ASN B 50 6.986 -13.137 4.362 1.00 0.00 N ATOM 1755 CA ASN B 50 6.424 -14.344 3.768 1.00 0.00 C ATOM 1756 C ASN B 50 7.133 -14.745 2.479 1.00 0.00 C ATOM 1757 O ASN B 50 7.194 -15.927 2.154 1.00 0.00 O ATOM 1758 CB ASN B 50 4.921 -14.172 3.521 1.00 0.00 C ATOM 1759 CG ASN B 50 4.126 -14.201 4.811 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.661 -15.256 5.245 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.975 -13.049 5.439 1.00 0.00 N ATOM 0 H ASN B 50 6.430 -12.295 4.214 1.00 0.00 H new ATOM 0 HA ASN B 50 6.579 -15.152 4.483 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.744 -13.227 3.007 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.569 -14.965 2.861 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.457 -13.011 6.317 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.376 -12.197 5.046 1.00 0.00 H new ATOM 1768 N HIS B 51 7.690 -13.785 1.746 1.00 0.00 N ATOM 1769 CA HIS B 51 8.372 -14.129 0.499 1.00 0.00 C ATOM 1770 C HIS B 51 9.871 -14.316 0.733 1.00 0.00 C ATOM 1771 O HIS B 51 10.540 -15.024 -0.018 1.00 0.00 O ATOM 1772 CB HIS B 51 8.109 -13.091 -0.616 1.00 0.00 C ATOM 1773 CG HIS B 51 9.033 -11.902 -0.642 1.00 0.00 C ATOM 1774 ND1 HIS B 51 10.315 -11.949 -1.154 1.00 0.00 N ATOM 1775 CD2 HIS B 51 8.838 -10.619 -0.256 1.00 0.00 C ATOM 1776 CE1 HIS B 51 10.865 -10.753 -1.083 1.00 0.00 C ATOM 1777 NE2 HIS B 51 9.991 -9.925 -0.542 1.00 0.00 N ATOM 0 H HIS B 51 7.686 -12.793 1.982 1.00 0.00 H new ATOM 0 HA HIS B 51 7.956 -15.076 0.155 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.174 -13.597 -1.579 1.00 0.00 H new ATOM 0 HB3 HIS B 51 7.086 -12.729 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS B 51 7.943 -10.215 0.193 1.00 0.00 H new ATOM 0 HE1 HIS B 51 11.861 -10.495 -1.411 1.00 0.00 H new ATOM 0 HE2 HIS B 51 10.145 -8.932 -0.365 1.00 0.00 H new ATOM 1786 N ASP B 52 10.391 -13.684 1.776 1.00 0.00 N ATOM 1787 CA ASP B 52 11.813 -13.764 2.093 1.00 0.00 C ATOM 1788 C ASP B 52 12.020 -13.829 3.598 1.00 0.00 C ATOM 1789 O ASP B 52 11.930 -12.822 4.296 1.00 0.00 O ATOM 1790 CB ASP B 52 12.560 -12.563 1.517 1.00 0.00 C ATOM 1791 CG ASP B 52 14.052 -12.631 1.776 1.00 0.00 C ATOM 1792 OD1 ASP B 52 14.608 -13.752 1.788 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.680 -11.563 1.939 1.00 0.00 O ATOM 0 H ASP B 52 9.849 -13.108 2.420 1.00 0.00 H new ATOM 0 HA ASP B 52 12.211 -14.673 1.643 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.383 -12.510 0.443 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.160 -11.647 1.952 1.00 0.00 H new ATOM 1798 N LYS B 53 12.287 -15.025 4.087 1.00 0.00 N ATOM 1799 CA LYS B 53 12.482 -15.246 5.510 1.00 0.00 C ATOM 1800 C LYS B 53 13.954 -15.531 5.791 1.00 0.00 C ATOM 1801 O LYS B 53 14.364 -15.721 6.938 1.00 0.00 O ATOM 1802 CB LYS B 53 11.617 -16.427 5.964 1.00 0.00 C ATOM 1803 CG LYS B 53 11.483 -16.575 7.471 1.00 0.00 C ATOM 1804 CD LYS B 53 10.721 -15.412 8.076 1.00 0.00 C ATOM 1805 CE LYS B 53 10.348 -15.685 9.521 1.00 0.00 C ATOM 1806 NZ LYS B 53 9.570 -14.567 10.100 1.00 0.00 N ATOM 0 H LYS B 53 12.375 -15.865 3.516 1.00 0.00 H new ATOM 0 HA LYS B 53 12.187 -14.354 6.063 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.622 -16.317 5.534 1.00 0.00 H new ATOM 0 HB3 LYS B 53 12.040 -17.346 5.559 1.00 0.00 H new ATOM 0 HG2 LYS B 53 10.969 -17.508 7.702 1.00 0.00 H new ATOM 0 HG3 LYS B 53 12.474 -16.637 7.922 1.00 0.00 H new ATOM 0 HD2 LYS B 53 11.329 -14.509 8.020 1.00 0.00 H new ATOM 0 HD3 LYS B 53 9.818 -15.225 7.495 1.00 0.00 H new ATOM 0 HE2 LYS B 53 9.765 -16.604 9.580 1.00 0.00 H new ATOM 0 HE3 LYS B 53 11.253 -15.843 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 9.433 -14.730 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 10.086 -13.675 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 8.644 -14.509 9.631 1.00 0.00 H new ATOM 1820 N GLN B 54 14.754 -15.522 4.736 1.00 0.00 N ATOM 1821 CA GLN B 54 16.132 -15.976 4.821 1.00 0.00 C ATOM 1822 C GLN B 54 17.092 -14.840 5.148 1.00 0.00 C ATOM 1823 O GLN B 54 18.033 -14.569 4.401 1.00 0.00 O ATOM 1824 CB GLN B 54 16.535 -16.665 3.519 1.00 0.00 C ATOM 1825 CG GLN B 54 15.693 -17.890 3.214 1.00 0.00 C ATOM 1826 CD GLN B 54 16.145 -18.621 1.971 1.00 0.00 C ATOM 1827 OE1 GLN B 54 16.675 -18.019 1.039 1.00 0.00 O ATOM 1828 NE2 GLN B 54 15.933 -19.924 1.944 1.00 0.00 N ATOM 0 H GLN B 54 14.471 -15.204 3.809 1.00 0.00 H new ATOM 0 HA GLN B 54 16.195 -16.691 5.641 1.00 0.00 H new ATOM 0 HB2 GLN B 54 16.447 -15.956 2.696 1.00 0.00 H new ATOM 0 HB3 GLN B 54 17.584 -16.957 3.578 1.00 0.00 H new ATOM 0 HG2 GLN B 54 15.731 -18.571 4.064 1.00 0.00 H new ATOM 0 HG3 GLN B 54 14.652 -17.588 3.094 1.00 0.00 H new ATOM 0 HE21 GLN B 54 15.490 -20.385 2.739 1.00 0.00 H new ATOM 0 HE22 GLN B 54 16.212 -20.469 1.128 1.00 0.00 H new ATOM 1837 N LYS B 55 16.850 -14.179 6.268 1.00 0.00 N ATOM 1838 CA LYS B 55 17.796 -13.199 6.780 1.00 0.00 C ATOM 1839 C LYS B 55 18.902 -13.932 7.529 1.00 0.00 C ATOM 1840 O LYS B 55 20.044 -13.479 7.593 1.00 0.00 O ATOM 1841 CB LYS B 55 17.117 -12.154 7.685 1.00 0.00 C ATOM 1842 CG LYS B 55 16.468 -12.710 8.949 1.00 0.00 C ATOM 1843 CD LYS B 55 14.963 -12.891 8.791 1.00 0.00 C ATOM 1844 CE LYS B 55 14.311 -13.295 10.104 1.00 0.00 C ATOM 1845 NZ LYS B 55 14.959 -14.490 10.710 1.00 0.00 N ATOM 0 H LYS B 55 16.013 -14.301 6.837 1.00 0.00 H new ATOM 0 HA LYS B 55 18.218 -12.649 5.939 1.00 0.00 H new ATOM 0 HB2 LYS B 55 17.860 -11.411 7.975 1.00 0.00 H new ATOM 0 HB3 LYS B 55 16.355 -11.634 7.104 1.00 0.00 H new ATOM 0 HG2 LYS B 55 16.923 -13.669 9.198 1.00 0.00 H new ATOM 0 HG3 LYS B 55 16.666 -12.037 9.783 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.519 -11.962 8.433 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.764 -13.651 8.035 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.362 -12.462 10.805 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.255 -13.504 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.367 -14.851 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.070 -15.229 9.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.894 -14.227 11.083 1.00 0.00 H new ATOM 1859 N LYS B 56 18.536 -15.068 8.104 1.00 0.00 N ATOM 1860 CA LYS B 56 19.491 -15.996 8.683 1.00 0.00 C ATOM 1861 C LYS B 56 18.934 -17.406 8.549 1.00 0.00 C ATOM 1862 O LYS B 56 19.073 -18.003 7.468 1.00 0.00 O ATOM 1863 CB LYS B 56 19.759 -15.684 10.158 1.00 0.00 C ATOM 1864 CG LYS B 56 20.861 -16.546 10.758 1.00 0.00 C ATOM 1865 CD LYS B 56 20.758 -16.629 12.274 1.00 0.00 C ATOM 1866 CE LYS B 56 19.434 -17.242 12.711 1.00 0.00 C ATOM 1867 NZ LYS B 56 19.150 -18.524 12.012 1.00 0.00 N ATOM 1868 OXT LYS B 56 18.312 -17.894 9.520 1.00 0.00 O ATOM 0 H LYS B 56 17.565 -15.371 8.181 1.00 0.00 H new ATOM 0 HA LYS B 56 20.438 -15.903 8.151 1.00 0.00 H new ATOM 0 HB2 LYS B 56 20.032 -14.634 10.258 1.00 0.00 H new ATOM 0 HB3 LYS B 56 18.841 -15.830 10.727 1.00 0.00 H new ATOM 0 HG2 LYS B 56 20.807 -17.549 10.335 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.833 -16.136 10.483 1.00 0.00 H new ATOM 0 HD2 LYS B 56 21.583 -17.226 12.664 1.00 0.00 H new ATOM 0 HD3 LYS B 56 20.857 -15.631 12.702 1.00 0.00 H new ATOM 0 HE2 LYS B 56 19.453 -17.413 13.787 1.00 0.00 H new ATOM 0 HE3 LYS B 56 18.627 -16.537 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 18.657 -19.171 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 18.550 -18.342 11.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 20.044 -18.957 11.704 1.00 0.00 H new TER 1882 LYS B 56