USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 72 ASN : amide:sc= -0.554 K(o=-0.26,f=1) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.296 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0897 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.116 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.731 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -2.27! K(o=-2.3!,f=-1.1) USER MOD Single : A 20 THR OG1 : rot -129:sc= -0.244 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.0276 (180deg=-0.602) USER MOD Single : A 30 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.6!) USER MOD Single : A 31 MET CE :methyl 156:sc= -2.28! (180deg=-3.66!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0104 (180deg=-0.471) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0338 K(o=-0.034,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.231 -6.959 38.098 1.00 0.00 N ATOM 2 CA GLY A 1 -37.486 -7.310 36.713 1.00 0.00 C ATOM 3 C GLY A 1 -36.214 -7.618 35.949 1.00 0.00 C ATOM 4 O GLY A 1 -35.126 -7.641 36.524 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.717 -7.634 38.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.208 -6.992 38.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.585 -5.999 38.284 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.147 -8.176 36.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.010 -6.489 36.224 1.00 0.00 H new ATOM 8 N SER A 2 -36.350 -7.858 34.648 1.00 0.00 N ATOM 9 CA SER A 2 -35.202 -8.172 33.805 1.00 0.00 C ATOM 10 C SER A 2 -35.462 -7.761 32.359 1.00 0.00 C ATOM 11 O SER A 2 -36.608 -7.562 31.955 1.00 0.00 O ATOM 12 CB SER A 2 -34.886 -9.667 33.873 1.00 0.00 C ATOM 13 OG SER A 2 -34.677 -10.083 35.212 1.00 0.00 O ATOM 0 H SER A 2 -37.243 -7.841 34.156 1.00 0.00 H new ATOM 0 HA SER A 2 -34.345 -7.610 34.176 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.707 -10.236 33.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.998 -9.882 33.279 1.00 0.00 H new ATOM 0 HG SER A 2 -34.478 -11.042 35.229 1.00 0.00 H new ATOM 19 N SER A 3 -34.390 -7.636 31.584 1.00 0.00 N ATOM 20 CA SER A 3 -34.500 -7.245 30.183 1.00 0.00 C ATOM 21 C SER A 3 -34.690 -8.468 29.291 1.00 0.00 C ATOM 22 O SER A 3 -35.666 -8.564 28.548 1.00 0.00 O ATOM 23 CB SER A 3 -33.255 -6.471 29.748 1.00 0.00 C ATOM 24 OG SER A 3 -33.359 -5.101 30.095 1.00 0.00 O ATOM 0 H SER A 3 -33.435 -7.800 31.902 1.00 0.00 H new ATOM 0 HA SER A 3 -35.374 -6.602 30.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.372 -6.903 30.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.121 -6.567 28.671 1.00 0.00 H new ATOM 0 HG SER A 3 -32.550 -4.628 29.808 1.00 0.00 H new ATOM 30 N GLY A 4 -33.748 -9.403 29.371 1.00 0.00 N ATOM 31 CA GLY A 4 -33.828 -10.608 28.567 1.00 0.00 C ATOM 32 C GLY A 4 -33.505 -10.354 27.108 1.00 0.00 C ATOM 33 O GLY A 4 -34.243 -9.653 26.415 1.00 0.00 O ATOM 0 H GLY A 4 -32.931 -9.347 29.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.138 -11.353 28.964 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.831 -11.028 28.646 1.00 0.00 H new ATOM 37 N SER A 5 -32.398 -10.923 26.640 1.00 0.00 N ATOM 38 CA SER A 5 -31.976 -10.750 25.255 1.00 0.00 C ATOM 39 C SER A 5 -30.891 -11.758 24.888 1.00 0.00 C ATOM 40 O SER A 5 -30.397 -12.493 25.742 1.00 0.00 O ATOM 41 CB SER A 5 -31.463 -9.326 25.031 1.00 0.00 C ATOM 42 OG SER A 5 -30.416 -9.013 25.933 1.00 0.00 O ATOM 0 H SER A 5 -31.777 -11.508 27.200 1.00 0.00 H new ATOM 0 HA SER A 5 -32.840 -10.923 24.613 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.107 -9.221 24.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.281 -8.617 25.159 1.00 0.00 H new ATOM 0 HG SER A 5 -30.105 -8.099 25.768 1.00 0.00 H new ATOM 48 N SER A 6 -30.527 -11.785 23.610 1.00 0.00 N ATOM 49 CA SER A 6 -29.503 -12.705 23.127 1.00 0.00 C ATOM 50 C SER A 6 -28.885 -12.197 21.828 1.00 0.00 C ATOM 51 O SER A 6 -29.467 -11.363 21.135 1.00 0.00 O ATOM 52 CB SER A 6 -30.100 -14.097 22.911 1.00 0.00 C ATOM 53 OG SER A 6 -30.186 -14.811 24.132 1.00 0.00 O ATOM 0 H SER A 6 -30.925 -11.181 22.891 1.00 0.00 H new ATOM 0 HA SER A 6 -28.719 -12.766 23.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.092 -14.006 22.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.486 -14.654 22.203 1.00 0.00 H new ATOM 0 HG SER A 6 -30.220 -14.178 24.879 1.00 0.00 H new ATOM 59 N GLY A 7 -27.700 -12.706 21.505 1.00 0.00 N ATOM 60 CA GLY A 7 -27.022 -12.293 20.291 1.00 0.00 C ATOM 61 C GLY A 7 -25.541 -12.615 20.316 1.00 0.00 C ATOM 62 O GLY A 7 -25.141 -13.754 20.073 1.00 0.00 O ATOM 0 H GLY A 7 -27.198 -13.397 22.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.483 -12.786 19.435 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.155 -11.220 20.151 1.00 0.00 H new ATOM 66 N VAL A 8 -24.723 -11.609 20.609 1.00 0.00 N ATOM 67 CA VAL A 8 -23.277 -11.790 20.664 1.00 0.00 C ATOM 68 C VAL A 8 -22.815 -12.834 19.654 1.00 0.00 C ATOM 69 O VAL A 8 -21.928 -13.637 19.939 1.00 0.00 O ATOM 70 CB VAL A 8 -22.818 -12.215 22.072 1.00 0.00 C ATOM 71 CG1 VAL A 8 -23.245 -11.185 23.106 1.00 0.00 C ATOM 72 CG2 VAL A 8 -23.368 -13.591 22.418 1.00 0.00 C ATOM 0 H VAL A 8 -25.037 -10.660 20.812 1.00 0.00 H new ATOM 0 HA VAL A 8 -22.828 -10.828 20.418 1.00 0.00 H new ATOM 0 HB VAL A 8 -21.729 -12.272 22.080 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -22.912 -11.502 24.094 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -22.798 -10.220 22.865 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -24.331 -11.093 23.101 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.034 -13.876 23.416 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -24.457 -13.564 22.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -23.007 -14.320 21.693 1.00 0.00 H new ATOM 82 N GLU A 9 -23.423 -12.815 18.472 1.00 0.00 N ATOM 83 CA GLU A 9 -23.074 -13.762 17.419 1.00 0.00 C ATOM 84 C GLU A 9 -21.861 -13.275 16.630 1.00 0.00 C ATOM 85 O GLU A 9 -21.794 -12.126 16.192 1.00 0.00 O ATOM 86 CB GLU A 9 -24.260 -13.969 16.475 1.00 0.00 C ATOM 87 CG GLU A 9 -24.583 -12.751 15.626 1.00 0.00 C ATOM 88 CD GLU A 9 -26.016 -12.750 15.129 1.00 0.00 C ATOM 89 OE1 GLU A 9 -26.361 -13.632 14.315 1.00 0.00 O ATOM 90 OE2 GLU A 9 -26.791 -11.868 15.553 1.00 0.00 O ATOM 0 H GLU A 9 -24.159 -12.155 18.220 1.00 0.00 H new ATOM 0 HA GLU A 9 -22.823 -14.713 17.889 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.048 -14.813 15.819 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.139 -14.235 17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.404 -11.848 16.210 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.906 -12.718 14.772 1.00 0.00 H new ATOM 97 N PRO A 10 -20.879 -14.169 16.445 1.00 0.00 N ATOM 98 CA PRO A 10 -19.650 -13.854 15.709 1.00 0.00 C ATOM 99 C PRO A 10 -19.900 -13.672 14.216 1.00 0.00 C ATOM 100 O PRO A 10 -20.915 -14.123 13.686 1.00 0.00 O ATOM 101 CB PRO A 10 -18.764 -15.077 15.958 1.00 0.00 C ATOM 102 CG PRO A 10 -19.719 -16.186 16.239 1.00 0.00 C ATOM 103 CD PRO A 10 -20.891 -15.556 16.939 1.00 0.00 C ATOM 0 HA PRO A 10 -19.206 -12.915 16.039 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.143 -15.299 15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.090 -14.913 16.798 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.032 -16.674 15.316 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.256 -16.950 16.863 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -21.825 -16.062 16.694 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -20.781 -15.597 18.023 1.00 0.00 H new ATOM 111 N VAL A 11 -18.966 -13.009 13.541 1.00 0.00 N ATOM 112 CA VAL A 11 -19.084 -12.769 12.108 1.00 0.00 C ATOM 113 C VAL A 11 -18.023 -13.541 11.332 1.00 0.00 C ATOM 114 O VAL A 11 -16.861 -13.621 11.732 1.00 0.00 O ATOM 115 CB VAL A 11 -18.957 -11.270 11.777 1.00 0.00 C ATOM 116 CG1 VAL A 11 -17.665 -10.705 12.349 1.00 0.00 C ATOM 117 CG2 VAL A 11 -19.025 -11.048 10.274 1.00 0.00 C ATOM 0 H VAL A 11 -18.119 -12.629 13.964 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.073 -13.117 11.810 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.792 -10.742 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.592 -9.645 12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.661 -10.830 13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -16.815 -11.235 11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.934 -9.983 10.059 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.211 -11.587 9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.979 -11.414 9.895 1.00 0.00 H new ATOM 127 N PRO A 12 -18.429 -14.124 10.195 1.00 0.00 N ATOM 128 CA PRO A 12 -17.528 -14.900 9.338 1.00 0.00 C ATOM 129 C PRO A 12 -16.497 -14.023 8.635 1.00 0.00 C ATOM 130 O PRO A 12 -16.746 -12.847 8.371 1.00 0.00 O ATOM 131 CB PRO A 12 -18.472 -15.539 8.316 1.00 0.00 C ATOM 132 CG PRO A 12 -19.650 -14.628 8.269 1.00 0.00 C ATOM 133 CD PRO A 12 -19.799 -14.071 9.657 1.00 0.00 C ATOM 0 HA PRO A 12 -16.944 -15.622 9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.998 -15.624 7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.761 -16.545 8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.497 -13.830 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.548 -15.167 7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.185 -13.052 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -20.489 -14.665 10.256 1.00 0.00 H new ATOM 141 N ASP A 13 -15.340 -14.602 8.334 1.00 0.00 N ATOM 142 CA ASP A 13 -14.272 -13.873 7.661 1.00 0.00 C ATOM 143 C ASP A 13 -13.399 -14.821 6.844 1.00 0.00 C ATOM 144 O ASP A 13 -12.901 -15.823 7.359 1.00 0.00 O ATOM 145 CB ASP A 13 -13.416 -13.122 8.681 1.00 0.00 C ATOM 146 CG ASP A 13 -14.241 -12.537 9.811 1.00 0.00 C ATOM 147 OD1 ASP A 13 -14.905 -11.504 9.586 1.00 0.00 O ATOM 148 OD2 ASP A 13 -14.223 -13.113 10.919 1.00 0.00 O ATOM 0 H ASP A 13 -15.118 -15.575 8.546 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.729 -13.153 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.669 -13.800 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.875 -12.321 8.177 1.00 0.00 H new ATOM 153 N THR A 14 -13.216 -14.497 5.568 1.00 0.00 N ATOM 154 CA THR A 14 -12.404 -15.320 4.680 1.00 0.00 C ATOM 155 C THR A 14 -11.796 -14.484 3.559 1.00 0.00 C ATOM 156 O THR A 14 -12.304 -13.413 3.224 1.00 0.00 O ATOM 157 CB THR A 14 -13.231 -16.463 4.062 1.00 0.00 C ATOM 158 OG1 THR A 14 -14.364 -15.929 3.368 1.00 0.00 O ATOM 159 CG2 THR A 14 -13.698 -17.434 5.135 1.00 0.00 C ATOM 0 H THR A 14 -13.619 -13.671 5.126 1.00 0.00 H new ATOM 0 HA THR A 14 -11.605 -15.746 5.286 1.00 0.00 H new ATOM 0 HB THR A 14 -12.596 -17.002 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.883 -16.662 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.280 -18.232 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.832 -17.861 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.317 -16.905 5.860 1.00 0.00 H new ATOM 167 N HIS A 15 -10.707 -14.980 2.981 1.00 0.00 N ATOM 168 CA HIS A 15 -10.030 -14.279 1.896 1.00 0.00 C ATOM 169 C HIS A 15 -10.576 -14.719 0.541 1.00 0.00 C ATOM 170 O HIS A 15 -10.628 -15.912 0.238 1.00 0.00 O ATOM 171 CB HIS A 15 -8.524 -14.531 1.958 1.00 0.00 C ATOM 172 CG HIS A 15 -8.122 -15.884 1.457 1.00 0.00 C ATOM 173 ND1 HIS A 15 -7.792 -16.929 2.294 1.00 0.00 N ATOM 174 CD2 HIS A 15 -7.999 -16.361 0.196 1.00 0.00 C ATOM 175 CE1 HIS A 15 -7.483 -17.990 1.570 1.00 0.00 C ATOM 176 NE2 HIS A 15 -7.601 -17.672 0.294 1.00 0.00 N ATOM 0 H HIS A 15 -10.274 -15.865 3.246 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.217 -13.212 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.012 -13.768 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.187 -14.420 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.180 -15.813 -0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.185 -18.953 1.956 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.425 -18.298 -0.492 1.00 0.00 H new ATOM 184 N LEU A 16 -10.983 -13.749 -0.271 1.00 0.00 N ATOM 185 CA LEU A 16 -11.527 -14.036 -1.594 1.00 0.00 C ATOM 186 C LEU A 16 -10.467 -13.838 -2.672 1.00 0.00 C ATOM 187 O LEU A 16 -9.705 -12.872 -2.638 1.00 0.00 O ATOM 188 CB LEU A 16 -12.733 -13.140 -1.877 1.00 0.00 C ATOM 189 CG LEU A 16 -14.051 -13.563 -1.228 1.00 0.00 C ATOM 190 CD1 LEU A 16 -14.151 -13.012 0.186 1.00 0.00 C ATOM 191 CD2 LEU A 16 -15.232 -13.099 -2.068 1.00 0.00 C ATOM 0 H LEU A 16 -10.947 -12.757 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.846 -15.078 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.495 -12.130 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.881 -13.094 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.074 -14.651 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.096 -13.323 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.324 -13.394 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.105 -11.923 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.162 -13.409 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.213 -12.013 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.169 -13.543 -3.062 1.00 0.00 H new ATOM 203 N ARG A 17 -10.426 -14.758 -3.631 1.00 0.00 N ATOM 204 CA ARG A 17 -9.460 -14.683 -4.720 1.00 0.00 C ATOM 205 C ARG A 17 -10.144 -14.292 -6.027 1.00 0.00 C ATOM 206 O ARG A 17 -10.658 -15.145 -6.750 1.00 0.00 O ATOM 207 CB ARG A 17 -8.744 -16.025 -4.888 1.00 0.00 C ATOM 208 CG ARG A 17 -7.559 -16.204 -3.954 1.00 0.00 C ATOM 209 CD ARG A 17 -6.502 -17.113 -4.562 1.00 0.00 C ATOM 210 NE ARG A 17 -5.647 -16.402 -5.508 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.857 -17.011 -6.386 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.815 -18.335 -6.438 1.00 0.00 N ATOM 213 NH2 ARG A 17 -4.107 -16.294 -7.214 1.00 0.00 N ATOM 0 H ARG A 17 -11.050 -15.563 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.727 -13.916 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.457 -16.831 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.401 -16.118 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.120 -15.232 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.900 -16.624 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.889 -17.538 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.989 -17.946 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.657 -15.382 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.390 -18.889 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.208 -18.800 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.137 -15.275 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.501 -16.762 -7.888 1.00 0.00 H new ATOM 227 N GLY A 18 -10.146 -12.996 -6.323 1.00 0.00 N ATOM 228 CA GLY A 18 -10.770 -12.515 -7.542 1.00 0.00 C ATOM 229 C GLY A 18 -9.755 -12.140 -8.604 1.00 0.00 C ATOM 230 O GLY A 18 -8.593 -11.875 -8.295 1.00 0.00 O ATOM 0 H GLY A 18 -9.727 -12.271 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.434 -13.285 -7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.388 -11.647 -7.312 1.00 0.00 H new ATOM 234 N ILE A 19 -10.194 -12.118 -9.858 1.00 0.00 N ATOM 235 CA ILE A 19 -9.315 -11.773 -10.968 1.00 0.00 C ATOM 236 C ILE A 19 -9.023 -10.277 -10.994 1.00 0.00 C ATOM 237 O ILE A 19 -7.868 -9.859 -11.089 1.00 0.00 O ATOM 238 CB ILE A 19 -9.925 -12.189 -12.320 1.00 0.00 C ATOM 239 CG1 ILE A 19 -9.827 -13.705 -12.504 1.00 0.00 C ATOM 240 CG2 ILE A 19 -9.227 -11.465 -13.461 1.00 0.00 C ATOM 241 CD1 ILE A 19 -10.974 -14.293 -13.295 1.00 0.00 C ATOM 0 H ILE A 19 -11.153 -12.335 -10.130 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.385 -12.320 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.978 -11.909 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.890 -13.942 -13.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.791 -14.180 -11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.669 -11.769 -14.410 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.344 -10.389 -13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.167 -11.717 -13.457 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.839 -15.371 -13.386 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.913 -14.087 -12.782 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.998 -13.845 -14.289 1.00 0.00 H new ATOM 253 N THR A 20 -10.077 -9.472 -10.906 1.00 0.00 N ATOM 254 CA THR A 20 -9.935 -8.022 -10.919 1.00 0.00 C ATOM 255 C THR A 20 -8.959 -7.556 -9.844 1.00 0.00 C ATOM 256 O THR A 20 -8.335 -8.370 -9.162 1.00 0.00 O ATOM 257 CB THR A 20 -11.290 -7.322 -10.703 1.00 0.00 C ATOM 258 OG1 THR A 20 -12.141 -8.142 -9.894 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.969 -7.036 -12.034 1.00 0.00 C ATOM 0 H THR A 20 -11.039 -9.800 -10.825 1.00 0.00 H new ATOM 0 HA THR A 20 -9.547 -7.752 -11.901 1.00 0.00 H new ATOM 0 HB THR A 20 -11.108 -6.375 -10.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.012 -8.242 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.924 -6.542 -11.856 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.331 -6.388 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.139 -7.973 -12.565 1.00 0.00 H new ATOM 267 N CYS A 21 -8.831 -6.241 -9.698 1.00 0.00 N ATOM 268 CA CYS A 21 -7.931 -5.666 -8.705 1.00 0.00 C ATOM 269 C CYS A 21 -8.502 -5.819 -7.299 1.00 0.00 C ATOM 270 O CYS A 21 -9.715 -5.747 -7.098 1.00 0.00 O ATOM 271 CB CYS A 21 -7.682 -4.187 -9.009 1.00 0.00 C ATOM 272 SG CYS A 21 -7.004 -3.244 -7.605 1.00 0.00 S ATOM 0 H CYS A 21 -9.339 -5.554 -10.255 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.985 -6.205 -8.753 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.993 -4.111 -9.851 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.620 -3.728 -9.322 1.00 0.00 H new ATOM 277 N LEU A 22 -7.620 -6.030 -6.328 1.00 0.00 N ATOM 278 CA LEU A 22 -8.036 -6.193 -4.939 1.00 0.00 C ATOM 279 C LEU A 22 -8.881 -5.010 -4.481 1.00 0.00 C ATOM 280 O LEU A 22 -10.064 -5.161 -4.174 1.00 0.00 O ATOM 281 CB LEU A 22 -6.811 -6.341 -4.034 1.00 0.00 C ATOM 282 CG LEU A 22 -6.016 -7.638 -4.186 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.614 -7.474 -3.620 1.00 0.00 C ATOM 284 CD2 LEU A 22 -6.738 -8.790 -3.503 1.00 0.00 C ATOM 0 H LEU A 22 -6.613 -6.092 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.642 -7.096 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.140 -5.503 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.138 -6.258 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.932 -7.868 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.063 -8.407 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.097 -6.678 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.676 -7.220 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.157 -9.705 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.854 -8.569 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.721 -8.923 -3.955 1.00 0.00 H new ATOM 296 N ASP A 23 -8.268 -3.832 -4.440 1.00 0.00 N ATOM 297 CA ASP A 23 -8.965 -2.621 -4.023 1.00 0.00 C ATOM 298 C ASP A 23 -10.154 -2.336 -4.936 1.00 0.00 C ATOM 299 O ASP A 23 -11.141 -1.731 -4.517 1.00 0.00 O ATOM 300 CB ASP A 23 -8.007 -1.429 -4.025 1.00 0.00 C ATOM 301 CG ASP A 23 -7.058 -1.447 -2.843 1.00 0.00 C ATOM 302 OD1 ASP A 23 -6.348 -2.460 -2.669 1.00 0.00 O ATOM 303 OD2 ASP A 23 -7.024 -0.449 -2.093 1.00 0.00 O ATOM 0 H ASP A 23 -7.289 -3.690 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.337 -2.776 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.431 -1.431 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.583 -0.504 -4.011 1.00 0.00 H new ATOM 308 N HIS A 24 -10.051 -2.775 -6.187 1.00 0.00 N ATOM 309 CA HIS A 24 -11.117 -2.567 -7.160 1.00 0.00 C ATOM 310 C HIS A 24 -11.433 -3.860 -7.904 1.00 0.00 C ATOM 311 O HIS A 24 -10.663 -4.301 -8.756 1.00 0.00 O ATOM 312 CB HIS A 24 -10.722 -1.476 -8.156 1.00 0.00 C ATOM 313 CG HIS A 24 -10.072 -0.288 -7.515 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.711 -0.191 -7.316 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.604 0.858 -7.030 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.434 0.963 -6.734 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.566 1.618 -6.550 1.00 0.00 N ATOM 0 H HIS A 24 -9.240 -3.277 -6.550 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.010 -2.251 -6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.041 -1.899 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.611 -1.147 -8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.650 1.125 -7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.450 1.311 -6.456 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.655 2.539 -6.121 1.00 0.00 H new ATOM 325 N GLU A 25 -12.572 -4.463 -7.576 1.00 0.00 N ATOM 326 CA GLU A 25 -12.988 -5.707 -8.213 1.00 0.00 C ATOM 327 C GLU A 25 -13.637 -5.435 -9.566 1.00 0.00 C ATOM 328 O GLU A 25 -14.317 -6.295 -10.125 1.00 0.00 O ATOM 329 CB GLU A 25 -13.963 -6.467 -7.311 1.00 0.00 C ATOM 330 CG GLU A 25 -15.249 -5.708 -7.030 1.00 0.00 C ATOM 331 CD GLU A 25 -15.141 -4.805 -5.817 1.00 0.00 C ATOM 332 OE1 GLU A 25 -14.944 -5.330 -4.701 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.253 -3.572 -5.984 1.00 0.00 O ATOM 0 H GLU A 25 -13.222 -4.110 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.100 -6.318 -8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.208 -7.421 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.470 -6.692 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.511 -5.109 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.060 -6.420 -6.877 1.00 0.00 H new ATOM 340 N ASN A 26 -13.423 -4.231 -10.087 1.00 0.00 N ATOM 341 CA ASN A 26 -13.988 -3.843 -11.375 1.00 0.00 C ATOM 342 C ASN A 26 -12.885 -3.524 -12.379 1.00 0.00 C ATOM 343 O ASN A 26 -12.984 -3.872 -13.555 1.00 0.00 O ATOM 344 CB ASN A 26 -14.907 -2.632 -11.208 1.00 0.00 C ATOM 345 CG ASN A 26 -16.280 -3.015 -10.690 1.00 0.00 C ATOM 346 OD1 ASN A 26 -17.092 -3.588 -11.417 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.547 -2.698 -9.429 1.00 0.00 N ATOM 0 H ASN A 26 -12.863 -3.507 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.570 -4.682 -11.756 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.447 -1.922 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.012 -2.124 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.455 -2.929 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.844 -2.223 -8.863 1.00 0.00 H new ATOM 354 N GLU A 27 -11.835 -2.860 -11.905 1.00 0.00 N ATOM 355 CA GLU A 27 -10.713 -2.494 -12.762 1.00 0.00 C ATOM 356 C GLU A 27 -9.727 -3.652 -12.891 1.00 0.00 C ATOM 357 O GLU A 27 -9.339 -4.266 -11.897 1.00 0.00 O ATOM 358 CB GLU A 27 -9.999 -1.261 -12.207 1.00 0.00 C ATOM 359 CG GLU A 27 -10.841 0.003 -12.255 1.00 0.00 C ATOM 360 CD GLU A 27 -11.302 0.344 -13.659 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.495 0.904 -14.430 1.00 0.00 O ATOM 362 OE2 GLU A 27 -12.471 0.049 -13.987 1.00 0.00 O ATOM 0 H GLU A 27 -11.738 -2.565 -10.933 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.106 -2.262 -13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.708 -1.454 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.081 -1.098 -12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.711 -0.120 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.263 0.836 -11.854 1.00 0.00 H new ATOM 369 N LYS A 28 -9.324 -3.944 -14.123 1.00 0.00 N ATOM 370 CA LYS A 28 -8.383 -5.026 -14.385 1.00 0.00 C ATOM 371 C LYS A 28 -6.943 -4.528 -14.295 1.00 0.00 C ATOM 372 O LYS A 28 -6.493 -3.747 -15.133 1.00 0.00 O ATOM 373 CB LYS A 28 -8.639 -5.630 -15.767 1.00 0.00 C ATOM 374 CG LYS A 28 -9.900 -6.475 -15.837 1.00 0.00 C ATOM 375 CD LYS A 28 -9.628 -7.916 -15.440 1.00 0.00 C ATOM 376 CE LYS A 28 -9.259 -8.767 -16.646 1.00 0.00 C ATOM 377 NZ LYS A 28 -7.792 -8.768 -16.897 1.00 0.00 N ATOM 0 H LYS A 28 -9.635 -3.445 -14.957 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.532 -5.795 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.710 -4.825 -16.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.784 -6.244 -16.050 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.659 -6.052 -15.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.303 -6.445 -16.849 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.819 -7.947 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.510 -8.334 -14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.601 -9.790 -16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.778 -8.391 -17.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.538 -9.600 -17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.527 -7.903 -17.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.285 -8.802 -15.990 1.00 0.00 H new ATOM 391 N VAL A 29 -6.226 -4.987 -13.274 1.00 0.00 N ATOM 392 CA VAL A 29 -4.837 -4.591 -13.077 1.00 0.00 C ATOM 393 C VAL A 29 -4.106 -4.468 -14.409 1.00 0.00 C ATOM 394 O VAL A 29 -4.005 -5.433 -15.165 1.00 0.00 O ATOM 395 CB VAL A 29 -4.087 -5.597 -12.184 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.372 -5.323 -10.715 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.469 -7.023 -12.552 1.00 0.00 C ATOM 0 H VAL A 29 -6.584 -5.633 -12.571 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.853 -3.619 -12.583 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.017 -5.477 -12.351 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.834 -6.044 -10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.045 -4.314 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.442 -5.415 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.930 -7.721 -11.911 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.542 -7.159 -12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.209 -7.212 -13.594 1.00 0.00 H new ATOM 407 N ASN A 30 -3.597 -3.273 -14.690 1.00 0.00 N ATOM 408 CA ASN A 30 -2.874 -3.023 -15.932 1.00 0.00 C ATOM 409 C ASN A 30 -1.521 -2.375 -15.654 1.00 0.00 C ATOM 410 O ASN A 30 -0.860 -1.879 -16.566 1.00 0.00 O ATOM 411 CB ASN A 30 -3.701 -2.126 -16.856 1.00 0.00 C ATOM 412 CG ASN A 30 -4.335 -0.963 -16.118 1.00 0.00 C ATOM 413 OD1 ASN A 30 -5.047 -1.153 -15.131 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.078 0.250 -16.593 1.00 0.00 N ATOM 0 H ASN A 30 -3.672 -2.463 -14.075 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.704 -3.981 -16.423 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.063 -1.743 -17.652 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.482 -2.720 -17.331 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.476 1.071 -16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.482 0.361 -17.414 1.00 0.00 H new ATOM 421 N MET A 31 -1.116 -2.384 -14.388 1.00 0.00 N ATOM 422 CA MET A 31 0.159 -1.799 -13.990 1.00 0.00 C ATOM 423 C MET A 31 0.810 -2.619 -12.881 1.00 0.00 C ATOM 424 O MET A 31 0.192 -3.523 -12.319 1.00 0.00 O ATOM 425 CB MET A 31 -0.042 -0.356 -13.523 1.00 0.00 C ATOM 426 CG MET A 31 0.014 0.661 -14.651 1.00 0.00 C ATOM 427 SD MET A 31 -1.603 0.977 -15.383 1.00 0.00 S ATOM 428 CE MET A 31 -2.270 2.172 -14.228 1.00 0.00 C ATOM 0 H MET A 31 -1.652 -2.790 -13.621 1.00 0.00 H new ATOM 0 HA MET A 31 0.820 -1.804 -14.857 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.006 -0.276 -13.021 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.723 -0.111 -12.786 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.426 1.596 -14.272 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.695 0.303 -15.424 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.032 2.772 -14.725 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.715 1.650 -13.381 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.470 2.822 -13.874 1.00 0.00 H new ATOM 438 N TYR A 32 2.061 -2.297 -12.570 1.00 0.00 N ATOM 439 CA TYR A 32 2.797 -3.006 -11.530 1.00 0.00 C ATOM 440 C TYR A 32 3.719 -2.056 -10.772 1.00 0.00 C ATOM 441 O TYR A 32 4.755 -1.634 -11.287 1.00 0.00 O ATOM 442 CB TYR A 32 3.612 -4.147 -12.140 1.00 0.00 C ATOM 443 CG TYR A 32 4.844 -4.506 -11.341 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.749 -5.277 -10.189 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.104 -4.073 -11.737 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.872 -5.607 -9.455 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.232 -4.399 -11.010 1.00 0.00 C ATOM 448 CZ TYR A 32 7.111 -5.165 -9.870 1.00 0.00 C ATOM 449 OH TYR A 32 8.233 -5.491 -9.143 1.00 0.00 O ATOM 0 H TYR A 32 2.586 -1.550 -13.023 1.00 0.00 H new ATOM 0 HA TYR A 32 2.074 -3.420 -10.827 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.977 -5.029 -12.229 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.913 -3.868 -13.150 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.780 -5.624 -9.862 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.203 -3.471 -12.628 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.780 -6.207 -8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.204 -4.056 -11.333 1.00 0.00 H new ATOM 0 HH TYR A 32 9.024 -5.103 -9.571 1.00 0.00 H new ATOM 459 N CYS A 33 3.335 -1.725 -9.544 1.00 0.00 N ATOM 460 CA CYS A 33 4.126 -0.825 -8.712 1.00 0.00 C ATOM 461 C CYS A 33 5.512 -1.406 -8.447 1.00 0.00 C ATOM 462 O CYS A 33 5.644 -2.541 -7.987 1.00 0.00 O ATOM 463 CB CYS A 33 3.409 -0.562 -7.386 1.00 0.00 C ATOM 464 SG CYS A 33 3.972 0.940 -6.522 1.00 0.00 S ATOM 0 H CYS A 33 2.481 -2.066 -9.103 1.00 0.00 H new ATOM 0 HA CYS A 33 4.243 0.117 -9.248 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.338 -0.480 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.553 -1.421 -6.731 1.00 0.00 H new ATOM 469 N VAL A 34 6.543 -0.620 -8.740 1.00 0.00 N ATOM 470 CA VAL A 34 7.919 -1.055 -8.532 1.00 0.00 C ATOM 471 C VAL A 34 8.287 -1.026 -7.053 1.00 0.00 C ATOM 472 O VAL A 34 8.699 -2.038 -6.486 1.00 0.00 O ATOM 473 CB VAL A 34 8.910 -0.173 -9.314 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.335 -0.668 -9.118 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.546 -0.144 -10.791 1.00 0.00 C ATOM 0 H VAL A 34 6.451 0.321 -9.122 1.00 0.00 H new ATOM 0 HA VAL A 34 7.987 -2.079 -8.900 1.00 0.00 H new ATOM 0 HB VAL A 34 8.848 0.844 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.021 -0.033 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.590 -0.633 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.416 -1.694 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.257 0.484 -11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.579 -1.156 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.541 0.261 -10.910 1.00 0.00 H new ATOM 485 N SER A 35 8.136 0.140 -6.434 1.00 0.00 N ATOM 486 CA SER A 35 8.455 0.302 -5.020 1.00 0.00 C ATOM 487 C SER A 35 7.746 -0.754 -4.178 1.00 0.00 C ATOM 488 O SER A 35 8.359 -1.402 -3.330 1.00 0.00 O ATOM 489 CB SER A 35 8.060 1.701 -4.543 1.00 0.00 C ATOM 490 OG SER A 35 8.961 2.680 -5.033 1.00 0.00 O ATOM 0 H SER A 35 7.795 0.987 -6.889 1.00 0.00 H new ATOM 0 HA SER A 35 9.531 0.175 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.049 1.932 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.047 1.727 -3.453 1.00 0.00 H new ATOM 0 HG SER A 35 8.686 3.566 -4.716 1.00 0.00 H new ATOM 496 N ASP A 36 6.450 -0.921 -4.419 1.00 0.00 N ATOM 497 CA ASP A 36 5.656 -1.898 -3.684 1.00 0.00 C ATOM 498 C ASP A 36 5.799 -3.287 -4.298 1.00 0.00 C ATOM 499 O ASP A 36 5.486 -4.294 -3.662 1.00 0.00 O ATOM 500 CB ASP A 36 4.184 -1.483 -3.669 1.00 0.00 C ATOM 501 CG ASP A 36 3.949 -0.209 -2.883 1.00 0.00 C ATOM 502 OD1 ASP A 36 4.047 -0.254 -1.639 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.667 0.833 -3.511 1.00 0.00 O ATOM 0 H ASP A 36 5.927 -0.392 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 36 6.026 -1.933 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.839 -1.343 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.587 -2.287 -3.238 1.00 0.00 H new ATOM 508 N ASP A 37 6.274 -3.334 -5.538 1.00 0.00 N ATOM 509 CA ASP A 37 6.459 -4.600 -6.239 1.00 0.00 C ATOM 510 C ASP A 37 5.185 -5.436 -6.196 1.00 0.00 C ATOM 511 O ASP A 37 5.216 -6.612 -5.834 1.00 0.00 O ATOM 512 CB ASP A 37 7.620 -5.383 -5.623 1.00 0.00 C ATOM 513 CG ASP A 37 8.115 -6.492 -6.530 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.292 -7.337 -6.938 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.327 -6.516 -6.831 1.00 0.00 O ATOM 0 H ASP A 37 6.538 -2.510 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 37 6.692 -4.380 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.442 -4.700 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.302 -5.810 -4.672 1.00 0.00 H new ATOM 520 N GLN A 38 4.066 -4.821 -6.565 1.00 0.00 N ATOM 521 CA GLN A 38 2.781 -5.509 -6.566 1.00 0.00 C ATOM 522 C GLN A 38 1.941 -5.092 -7.769 1.00 0.00 C ATOM 523 O GLN A 38 2.189 -4.054 -8.383 1.00 0.00 O ATOM 524 CB GLN A 38 2.020 -5.216 -5.272 1.00 0.00 C ATOM 525 CG GLN A 38 0.690 -5.945 -5.170 1.00 0.00 C ATOM 526 CD GLN A 38 -0.025 -5.674 -3.860 1.00 0.00 C ATOM 527 OE1 GLN A 38 -0.902 -4.813 -3.784 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.347 -6.410 -2.819 1.00 0.00 N ATOM 0 H GLN A 38 4.024 -3.848 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 38 2.972 -6.580 -6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.644 -5.495 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.843 -4.143 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.050 -5.642 -5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.859 -7.017 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.078 -7.113 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.099 -6.273 -1.912 1.00 0.00 H new ATOM 537 N LEU A 39 0.947 -5.909 -8.102 1.00 0.00 N ATOM 538 CA LEU A 39 0.070 -5.625 -9.233 1.00 0.00 C ATOM 539 C LEU A 39 -0.993 -4.599 -8.853 1.00 0.00 C ATOM 540 O LEU A 39 -1.658 -4.731 -7.825 1.00 0.00 O ATOM 541 CB LEU A 39 -0.598 -6.912 -9.721 1.00 0.00 C ATOM 542 CG LEU A 39 0.339 -8.083 -10.019 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.460 -9.340 -10.327 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.268 -7.742 -11.175 1.00 0.00 C ATOM 0 H LEU A 39 0.728 -6.773 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 39 0.677 -5.211 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.319 -7.232 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.162 -6.685 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 39 0.947 -8.271 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.223 -10.163 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.083 -9.595 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.094 -9.164 -11.196 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.928 -8.587 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.677 -7.526 -12.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.866 -6.868 -10.916 1.00 0.00 H new ATOM 556 N ILE A 40 -1.148 -3.579 -9.690 1.00 0.00 N ATOM 557 CA ILE A 40 -2.133 -2.532 -9.444 1.00 0.00 C ATOM 558 C ILE A 40 -2.912 -2.201 -10.712 1.00 0.00 C ATOM 559 O ILE A 40 -2.520 -2.588 -11.814 1.00 0.00 O ATOM 560 CB ILE A 40 -1.469 -1.248 -8.913 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.563 -0.636 -9.983 1.00 0.00 C ATOM 562 CG2 ILE A 40 -0.677 -1.546 -7.648 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.452 0.870 -9.892 1.00 0.00 C ATOM 0 H ILE A 40 -0.605 -3.455 -10.544 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.819 -2.916 -8.689 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.249 -0.527 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.433 -1.071 -9.897 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.945 -0.905 -10.968 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.213 -0.629 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.347 -1.942 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.097 -2.281 -7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.206 1.235 -10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.440 1.315 -10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.042 1.147 -8.921 1.00 0.00 H new ATOM 575 N CYS A 41 -4.017 -1.481 -10.550 1.00 0.00 N ATOM 576 CA CYS A 41 -4.852 -1.096 -11.681 1.00 0.00 C ATOM 577 C CYS A 41 -4.767 0.407 -11.933 1.00 0.00 C ATOM 578 O CYS A 41 -4.009 1.115 -11.271 1.00 0.00 O ATOM 579 CB CYS A 41 -6.306 -1.500 -11.430 1.00 0.00 C ATOM 580 SG CYS A 41 -7.204 -0.384 -10.305 1.00 0.00 S ATOM 0 H CYS A 41 -4.355 -1.152 -9.646 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.485 -1.617 -12.565 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.832 -1.537 -12.384 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.326 -2.508 -11.016 1.00 0.00 H new ATOM 585 N ALA A 42 -5.550 0.886 -12.894 1.00 0.00 N ATOM 586 CA ALA A 42 -5.565 2.304 -13.232 1.00 0.00 C ATOM 587 C ALA A 42 -5.914 3.154 -12.015 1.00 0.00 C ATOM 588 O ALA A 42 -5.160 4.051 -11.635 1.00 0.00 O ATOM 589 CB ALA A 42 -6.549 2.567 -14.362 1.00 0.00 C ATOM 0 H ALA A 42 -6.182 0.313 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.565 2.584 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.550 3.630 -14.604 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.254 1.995 -15.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.549 2.265 -14.051 1.00 0.00 H new ATOM 595 N LEU A 43 -7.060 2.868 -11.408 1.00 0.00 N ATOM 596 CA LEU A 43 -7.510 3.607 -10.234 1.00 0.00 C ATOM 597 C LEU A 43 -6.423 3.645 -9.165 1.00 0.00 C ATOM 598 O LEU A 43 -6.072 4.711 -8.657 1.00 0.00 O ATOM 599 CB LEU A 43 -8.780 2.974 -9.664 1.00 0.00 C ATOM 600 CG LEU A 43 -10.086 3.331 -10.375 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.204 2.398 -9.937 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.461 4.781 -10.106 1.00 0.00 C ATOM 0 H LEU A 43 -7.695 2.129 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.728 4.630 -10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.663 1.891 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.868 3.265 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.939 3.209 -11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.126 2.667 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.937 1.370 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.352 2.487 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.393 5.017 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.590 4.931 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.669 5.435 -10.471 1.00 0.00 H new ATOM 614 N CYS A 44 -5.891 2.475 -8.828 1.00 0.00 N ATOM 615 CA CYS A 44 -4.842 2.372 -7.821 1.00 0.00 C ATOM 616 C CYS A 44 -3.797 3.469 -8.010 1.00 0.00 C ATOM 617 O CYS A 44 -3.110 3.858 -7.065 1.00 0.00 O ATOM 618 CB CYS A 44 -4.173 0.998 -7.889 1.00 0.00 C ATOM 619 SG CYS A 44 -5.059 -0.307 -6.978 1.00 0.00 S ATOM 0 H CYS A 44 -6.170 1.584 -9.238 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.301 2.497 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.084 0.700 -8.934 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.161 1.079 -7.493 1.00 0.00 H new ATOM 624 N LYS A 45 -3.683 3.964 -9.238 1.00 0.00 N ATOM 625 CA LYS A 45 -2.724 5.016 -9.553 1.00 0.00 C ATOM 626 C LYS A 45 -3.413 6.375 -9.627 1.00 0.00 C ATOM 627 O LYS A 45 -2.984 7.336 -8.987 1.00 0.00 O ATOM 628 CB LYS A 45 -2.023 4.715 -10.879 1.00 0.00 C ATOM 629 CG LYS A 45 -0.598 5.236 -10.945 1.00 0.00 C ATOM 630 CD LYS A 45 -0.544 6.645 -11.512 1.00 0.00 C ATOM 631 CE LYS A 45 -0.361 6.632 -13.022 1.00 0.00 C ATOM 632 NZ LYS A 45 -1.667 6.626 -13.738 1.00 0.00 N ATOM 0 H LYS A 45 -4.243 3.653 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.981 5.047 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.015 3.637 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.600 5.154 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.160 5.228 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.005 4.571 -11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.463 7.175 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.277 7.193 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.216 7.506 -13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.216 5.753 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.526 6.937 -14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.061 5.664 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.327 7.273 -13.262 1.00 0.00 H new ATOM 646 N LEU A 46 -4.484 6.448 -10.410 1.00 0.00 N ATOM 647 CA LEU A 46 -5.234 7.690 -10.566 1.00 0.00 C ATOM 648 C LEU A 46 -5.386 8.406 -9.228 1.00 0.00 C ATOM 649 O LEU A 46 -4.846 9.495 -9.029 1.00 0.00 O ATOM 650 CB LEU A 46 -6.612 7.405 -11.165 1.00 0.00 C ATOM 651 CG LEU A 46 -6.704 7.448 -12.690 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.391 7.004 -13.317 1.00 0.00 C ATOM 653 CD2 LEU A 46 -7.852 6.579 -13.181 1.00 0.00 C ATOM 0 H LEU A 46 -4.852 5.663 -10.946 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.678 8.339 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.935 6.419 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.319 8.128 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.899 8.477 -12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.476 7.041 -14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.590 7.668 -12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.165 5.984 -13.005 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.902 6.622 -14.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.689 5.548 -12.866 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.789 6.943 -12.760 1.00 0.00 H new ATOM 665 N VAL A 47 -6.124 7.787 -8.312 1.00 0.00 N ATOM 666 CA VAL A 47 -6.345 8.364 -6.991 1.00 0.00 C ATOM 667 C VAL A 47 -5.883 7.413 -5.892 1.00 0.00 C ATOM 668 O VAL A 47 -5.686 7.819 -4.748 1.00 0.00 O ATOM 669 CB VAL A 47 -7.830 8.704 -6.768 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.274 9.804 -7.720 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.692 7.462 -6.937 1.00 0.00 C ATOM 0 H VAL A 47 -6.579 6.886 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.759 9.282 -6.945 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.953 9.067 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.326 10.031 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.676 10.699 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.138 9.471 -8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.739 7.721 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.567 7.067 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.389 6.707 -6.211 1.00 0.00 H new ATOM 681 N GLY A 48 -5.711 6.144 -6.249 1.00 0.00 N ATOM 682 CA GLY A 48 -5.272 5.154 -5.282 1.00 0.00 C ATOM 683 C GLY A 48 -4.054 5.607 -4.501 1.00 0.00 C ATOM 684 O GLY A 48 -3.463 6.643 -4.806 1.00 0.00 O ATOM 0 H GLY A 48 -5.868 5.784 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.086 4.942 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.042 4.222 -5.799 1.00 0.00 H new ATOM 688 N ARG A 49 -3.679 4.829 -3.491 1.00 0.00 N ATOM 689 CA ARG A 49 -2.525 5.157 -2.663 1.00 0.00 C ATOM 690 C ARG A 49 -1.282 5.373 -3.522 1.00 0.00 C ATOM 691 O ARG A 49 -0.372 6.111 -3.142 1.00 0.00 O ATOM 692 CB ARG A 49 -2.268 4.044 -1.645 1.00 0.00 C ATOM 693 CG ARG A 49 -3.426 3.813 -0.689 1.00 0.00 C ATOM 694 CD ARG A 49 -3.432 4.835 0.437 1.00 0.00 C ATOM 695 NE ARG A 49 -4.236 4.394 1.573 1.00 0.00 N ATOM 696 CZ ARG A 49 -4.375 5.096 2.692 1.00 0.00 C ATOM 697 NH1 ARG A 49 -3.766 6.266 2.824 1.00 0.00 N ATOM 698 NH2 ARG A 49 -5.124 4.627 3.682 1.00 0.00 N ATOM 0 H ARG A 49 -4.157 3.968 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.743 6.083 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.058 3.117 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.376 4.289 -1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.367 3.867 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.358 2.809 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.409 5.017 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.821 5.783 0.064 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.717 3.497 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.189 6.629 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.874 6.803 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.593 3.727 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.230 5.167 4.541 1.00 0.00 H new ATOM 712 N HIS A 50 -1.250 4.722 -4.681 1.00 0.00 N ATOM 713 CA HIS A 50 -0.120 4.843 -5.594 1.00 0.00 C ATOM 714 C HIS A 50 -0.244 6.100 -6.450 1.00 0.00 C ATOM 715 O HIS A 50 0.081 6.089 -7.637 1.00 0.00 O ATOM 716 CB HIS A 50 -0.028 3.608 -6.491 1.00 0.00 C ATOM 717 CG HIS A 50 -0.281 2.322 -5.767 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.730 1.499 -5.318 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.440 1.718 -5.414 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.204 0.444 -4.721 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.111 0.554 -4.765 1.00 0.00 N ATOM 0 H HIS A 50 -1.994 4.106 -5.009 1.00 0.00 H new ATOM 0 HA HIS A 50 0.790 4.919 -4.998 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.747 3.705 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.963 3.571 -6.944 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.438 2.084 -5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.756 -0.369 -4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.775 -0.117 -4.379 1.00 0.00 H new ATOM 729 N ARG A 51 -0.717 7.181 -5.839 1.00 0.00 N ATOM 730 CA ARG A 51 -0.886 8.445 -6.546 1.00 0.00 C ATOM 731 C ARG A 51 0.442 8.927 -7.123 1.00 0.00 C ATOM 732 O ARG A 51 0.583 9.085 -8.336 1.00 0.00 O ATOM 733 CB ARG A 51 -1.461 9.507 -5.606 1.00 0.00 C ATOM 734 CG ARG A 51 -1.917 10.769 -6.319 1.00 0.00 C ATOM 735 CD ARG A 51 -2.584 11.741 -5.358 1.00 0.00 C ATOM 736 NE ARG A 51 -1.611 12.448 -4.531 1.00 0.00 N ATOM 737 CZ ARG A 51 -1.124 11.964 -3.393 1.00 0.00 C ATOM 738 NH1 ARG A 51 -1.518 10.778 -2.951 1.00 0.00 N ATOM 739 NH2 ARG A 51 -0.241 12.667 -2.696 1.00 0.00 N ATOM 0 H ARG A 51 -0.990 7.207 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.582 8.282 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.305 9.081 -5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.706 9.771 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.061 11.251 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.614 10.507 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.172 12.464 -5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.278 11.198 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.287 13.363 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.196 10.235 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.143 10.409 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.065 13.580 -3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.132 12.295 -1.823 1.00 0.00 H new ATOM 753 N ASP A 52 1.413 9.160 -6.246 1.00 0.00 N ATOM 754 CA ASP A 52 2.730 9.623 -6.668 1.00 0.00 C ATOM 755 C ASP A 52 3.766 8.512 -6.534 1.00 0.00 C ATOM 756 O ASP A 52 4.879 8.740 -6.061 1.00 0.00 O ATOM 757 CB ASP A 52 3.156 10.837 -5.841 1.00 0.00 C ATOM 758 CG ASP A 52 2.074 11.898 -5.770 1.00 0.00 C ATOM 759 OD1 ASP A 52 1.572 12.305 -6.838 1.00 0.00 O ATOM 760 OD2 ASP A 52 1.731 12.321 -4.646 1.00 0.00 O ATOM 0 H ASP A 52 1.313 9.036 -5.239 1.00 0.00 H new ATOM 0 HA ASP A 52 2.667 9.911 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.411 10.514 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.058 11.270 -6.274 1.00 0.00 H new ATOM 765 N HIS A 53 3.391 7.307 -6.952 1.00 0.00 N ATOM 766 CA HIS A 53 4.288 6.159 -6.878 1.00 0.00 C ATOM 767 C HIS A 53 4.978 5.921 -8.218 1.00 0.00 C ATOM 768 O HIS A 53 4.647 6.558 -9.218 1.00 0.00 O ATOM 769 CB HIS A 53 3.516 4.907 -6.460 1.00 0.00 C ATOM 770 CG HIS A 53 3.308 4.798 -4.981 1.00 0.00 C ATOM 771 ND1 HIS A 53 3.297 3.594 -4.309 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.103 5.753 -4.043 1.00 0.00 C ATOM 773 CE1 HIS A 53 3.093 3.812 -3.022 1.00 0.00 C ATOM 774 NE2 HIS A 53 2.973 5.114 -2.834 1.00 0.00 N ATOM 0 H HIS A 53 2.473 7.100 -7.345 1.00 0.00 H new ATOM 0 HA HIS A 53 5.051 6.373 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.545 4.906 -6.956 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.053 4.025 -6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.051 6.818 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.034 3.055 -2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.810 5.571 -1.937 1.00 0.00 H new ATOM 782 N GLN A 54 5.937 5.001 -8.230 1.00 0.00 N ATOM 783 CA GLN A 54 6.674 4.682 -9.447 1.00 0.00 C ATOM 784 C GLN A 54 6.072 3.466 -10.144 1.00 0.00 C ATOM 785 O GLN A 54 6.578 2.351 -10.018 1.00 0.00 O ATOM 786 CB GLN A 54 8.146 4.422 -9.123 1.00 0.00 C ATOM 787 CG GLN A 54 9.053 4.458 -10.343 1.00 0.00 C ATOM 788 CD GLN A 54 10.508 4.680 -9.982 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.934 5.809 -9.738 1.00 0.00 O ATOM 790 NE2 GLN A 54 11.281 3.601 -9.946 1.00 0.00 N ATOM 0 H GLN A 54 6.222 4.464 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 54 6.603 5.536 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.488 5.166 -8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.237 3.448 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.957 3.520 -10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.723 5.252 -11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.887 2.684 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.269 3.689 -9.709 1.00 0.00 H new ATOM 799 N VAL A 55 4.988 3.689 -10.880 1.00 0.00 N ATOM 800 CA VAL A 55 4.317 2.613 -11.599 1.00 0.00 C ATOM 801 C VAL A 55 4.784 2.544 -13.048 1.00 0.00 C ATOM 802 O VAL A 55 5.140 3.560 -13.645 1.00 0.00 O ATOM 803 CB VAL A 55 2.787 2.788 -11.572 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.275 2.803 -10.140 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.384 4.060 -12.303 1.00 0.00 C ATOM 0 H VAL A 55 4.556 4.606 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 55 4.578 1.684 -11.092 1.00 0.00 H new ATOM 0 HB VAL A 55 2.333 1.940 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.192 2.928 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.531 1.863 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.734 3.630 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.300 4.168 -12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.847 4.920 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.716 4.004 -13.340 1.00 0.00 H new ATOM 815 N ALA A 56 4.780 1.339 -13.609 1.00 0.00 N ATOM 816 CA ALA A 56 5.202 1.138 -14.990 1.00 0.00 C ATOM 817 C ALA A 56 4.000 0.928 -15.905 1.00 0.00 C ATOM 818 O ALA A 56 2.859 0.882 -15.447 1.00 0.00 O ATOM 819 CB ALA A 56 6.152 -0.046 -15.084 1.00 0.00 C ATOM 0 H ALA A 56 4.489 0.488 -13.128 1.00 0.00 H new ATOM 0 HA ALA A 56 5.725 2.036 -15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.459 -0.185 -16.121 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.031 0.143 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.648 -0.946 -14.732 1.00 0.00 H new ATOM 825 N SER A 57 4.265 0.803 -17.202 1.00 0.00 N ATOM 826 CA SER A 57 3.205 0.603 -18.183 1.00 0.00 C ATOM 827 C SER A 57 3.320 -0.771 -18.835 1.00 0.00 C ATOM 828 O SER A 57 2.832 -0.988 -19.945 1.00 0.00 O ATOM 829 CB SER A 57 3.258 1.694 -19.253 1.00 0.00 C ATOM 830 OG SER A 57 2.456 2.805 -18.890 1.00 0.00 O ATOM 0 H SER A 57 5.205 0.837 -17.597 1.00 0.00 H new ATOM 0 HA SER A 57 2.248 0.660 -17.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.289 2.017 -19.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.915 1.290 -20.206 1.00 0.00 H new ATOM 0 HG SER A 57 2.509 3.489 -19.590 1.00 0.00 H new ATOM 836 N LEU A 58 3.970 -1.697 -18.139 1.00 0.00 N ATOM 837 CA LEU A 58 4.151 -3.052 -18.649 1.00 0.00 C ATOM 838 C LEU A 58 4.732 -3.030 -20.059 1.00 0.00 C ATOM 839 O LEU A 58 4.422 -3.890 -20.882 1.00 0.00 O ATOM 840 CB LEU A 58 2.818 -3.802 -18.645 1.00 0.00 C ATOM 841 CG LEU A 58 2.158 -3.991 -17.279 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.945 -4.901 -17.394 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.156 -4.555 -16.278 1.00 0.00 C ATOM 0 H LEU A 58 4.381 -1.534 -17.220 1.00 0.00 H new ATOM 0 HA LEU A 58 4.853 -3.569 -17.995 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.122 -3.268 -19.292 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.976 -4.785 -19.089 1.00 0.00 H new ATOM 0 HG LEU A 58 1.824 -3.017 -16.920 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.488 -5.024 -16.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.221 -4.458 -18.078 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.255 -5.874 -17.774 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.669 -4.683 -15.311 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.520 -5.520 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.995 -3.867 -16.173 1.00 0.00 H new ATOM 855 N ASN A 59 5.577 -2.040 -20.330 1.00 0.00 N ATOM 856 CA ASN A 59 6.202 -1.907 -21.641 1.00 0.00 C ATOM 857 C ASN A 59 7.055 -3.130 -21.964 1.00 0.00 C ATOM 858 O ASN A 59 8.135 -3.312 -21.403 1.00 0.00 O ATOM 859 CB ASN A 59 7.063 -0.643 -21.692 1.00 0.00 C ATOM 860 CG ASN A 59 7.399 -0.229 -23.112 1.00 0.00 C ATOM 861 OD1 ASN A 59 6.878 -0.793 -24.074 1.00 0.00 O ATOM 862 ND2 ASN A 59 8.275 0.760 -23.248 1.00 0.00 N ATOM 0 H ASN A 59 5.844 -1.319 -19.660 1.00 0.00 H new ATOM 0 HA ASN A 59 5.411 -1.831 -22.387 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.537 0.172 -21.194 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.986 -0.813 -21.138 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.541 1.081 -24.179 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.682 1.198 -22.422 1.00 0.00 H new ATOM 869 N ASP A 60 6.562 -3.964 -22.872 1.00 0.00 N ATOM 870 CA ASP A 60 7.278 -5.170 -23.272 1.00 0.00 C ATOM 871 C ASP A 60 7.335 -5.290 -24.792 1.00 0.00 C ATOM 872 O ASP A 60 6.316 -5.516 -25.445 1.00 0.00 O ATOM 873 CB ASP A 60 6.609 -6.409 -22.675 1.00 0.00 C ATOM 874 CG ASP A 60 6.767 -6.482 -21.169 1.00 0.00 C ATOM 875 OD1 ASP A 60 6.321 -5.541 -20.479 1.00 0.00 O ATOM 876 OD2 ASP A 60 7.336 -7.480 -20.679 1.00 0.00 O ATOM 0 H ASP A 60 5.669 -3.827 -23.346 1.00 0.00 H new ATOM 0 HA ASP A 60 8.297 -5.099 -22.893 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.548 -6.403 -22.926 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.038 -7.303 -23.126 1.00 0.00 H new ATOM 881 N ARG A 61 8.532 -5.136 -25.349 1.00 0.00 N ATOM 882 CA ARG A 61 8.720 -5.225 -26.792 1.00 0.00 C ATOM 883 C ARG A 61 7.621 -4.468 -27.531 1.00 0.00 C ATOM 884 O ARG A 61 7.052 -4.969 -28.501 1.00 0.00 O ATOM 885 CB ARG A 61 8.734 -6.689 -27.236 1.00 0.00 C ATOM 886 CG ARG A 61 10.026 -7.415 -26.900 1.00 0.00 C ATOM 887 CD ARG A 61 10.238 -8.621 -27.802 1.00 0.00 C ATOM 888 NE ARG A 61 9.640 -9.832 -27.246 1.00 0.00 N ATOM 889 CZ ARG A 61 10.174 -10.522 -26.244 1.00 0.00 C ATOM 890 NH1 ARG A 61 11.311 -10.122 -25.691 1.00 0.00 N ATOM 891 NH2 ARG A 61 9.571 -11.614 -25.793 1.00 0.00 N ATOM 0 H ARG A 61 9.386 -4.949 -24.823 1.00 0.00 H new ATOM 0 HA ARG A 61 9.679 -4.769 -27.038 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.901 -7.211 -26.765 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.571 -6.735 -28.313 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.867 -6.730 -27.003 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.003 -7.737 -25.859 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.806 -8.421 -28.783 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.306 -8.779 -27.950 1.00 0.00 H new ATOM 0 HE ARG A 61 8.765 -10.166 -27.649 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.778 -9.283 -26.035 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.719 -10.654 -24.922 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.696 -11.925 -26.216 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.982 -12.143 -25.024 1.00 0.00 H new ATOM 905 N PHE A 62 7.327 -3.259 -27.066 1.00 0.00 N ATOM 906 CA PHE A 62 6.295 -2.433 -27.682 1.00 0.00 C ATOM 907 C PHE A 62 6.786 -1.001 -27.873 1.00 0.00 C ATOM 908 O PHE A 62 6.460 -0.112 -27.087 1.00 0.00 O ATOM 909 CB PHE A 62 5.027 -2.439 -26.824 1.00 0.00 C ATOM 910 CG PHE A 62 4.052 -1.356 -27.188 1.00 0.00 C ATOM 911 CD1 PHE A 62 3.518 -1.287 -28.465 1.00 0.00 C ATOM 912 CD2 PHE A 62 3.668 -0.408 -26.254 1.00 0.00 C ATOM 913 CE1 PHE A 62 2.621 -0.292 -28.803 1.00 0.00 C ATOM 914 CE2 PHE A 62 2.771 0.590 -26.586 1.00 0.00 C ATOM 915 CZ PHE A 62 2.246 0.647 -27.862 1.00 0.00 C ATOM 0 H PHE A 62 7.789 -2.829 -26.265 1.00 0.00 H new ATOM 0 HA PHE A 62 6.065 -2.853 -28.661 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.536 -3.407 -26.922 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.306 -2.328 -25.776 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.806 -2.019 -29.204 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.074 -0.449 -25.254 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.213 -0.248 -29.802 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.481 1.324 -25.849 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.543 1.424 -28.124 1.00 0.00 H new ATOM 925 N GLU A 63 7.573 -0.787 -28.923 1.00 0.00 N ATOM 926 CA GLU A 63 8.110 0.536 -29.217 1.00 0.00 C ATOM 927 C GLU A 63 7.124 1.627 -28.809 1.00 0.00 C ATOM 928 O GLU A 63 5.964 1.618 -29.222 1.00 0.00 O ATOM 929 CB GLU A 63 8.436 0.659 -30.707 1.00 0.00 C ATOM 930 CG GLU A 63 9.323 1.848 -31.040 1.00 0.00 C ATOM 931 CD GLU A 63 10.104 1.651 -32.325 1.00 0.00 C ATOM 932 OE1 GLU A 63 10.893 0.686 -32.397 1.00 0.00 O ATOM 933 OE2 GLU A 63 9.926 2.462 -33.257 1.00 0.00 O ATOM 0 H GLU A 63 7.852 -1.512 -29.583 1.00 0.00 H new ATOM 0 HA GLU A 63 9.026 0.664 -28.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.928 -0.255 -31.039 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.505 0.742 -31.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.707 2.743 -31.127 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.019 2.019 -30.219 1.00 0.00 H new ATOM 940 N LYS A 64 7.594 2.567 -27.995 1.00 0.00 N ATOM 941 CA LYS A 64 6.756 3.666 -27.531 1.00 0.00 C ATOM 942 C LYS A 64 6.459 4.641 -28.665 1.00 0.00 C ATOM 943 O LYS A 64 6.975 5.759 -28.687 1.00 0.00 O ATOM 944 CB LYS A 64 7.439 4.402 -26.376 1.00 0.00 C ATOM 945 CG LYS A 64 8.937 4.571 -26.564 1.00 0.00 C ATOM 946 CD LYS A 64 9.443 5.840 -25.899 1.00 0.00 C ATOM 947 CE LYS A 64 10.687 6.374 -26.591 1.00 0.00 C ATOM 948 NZ LYS A 64 11.876 5.515 -26.334 1.00 0.00 N ATOM 0 H LYS A 64 8.551 2.589 -27.643 1.00 0.00 H new ATOM 0 HA LYS A 64 5.813 3.248 -27.180 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.982 5.385 -26.262 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.257 3.857 -25.450 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.457 3.708 -26.147 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.170 4.599 -27.628 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.661 6.599 -25.918 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.666 5.639 -24.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.508 6.435 -27.664 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.889 7.387 -26.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.704 5.912 -26.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.063 5.477 -25.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.693 4.554 -26.688 1.00 0.00 H new ATOM 962 N LEU A 65 5.624 4.212 -29.605 1.00 0.00 N ATOM 963 CA LEU A 65 5.258 5.048 -30.743 1.00 0.00 C ATOM 964 C LEU A 65 3.758 5.329 -30.751 1.00 0.00 C ATOM 965 O LEU A 65 2.950 4.451 -30.448 1.00 0.00 O ATOM 966 CB LEU A 65 5.669 4.372 -32.052 1.00 0.00 C ATOM 967 CG LEU A 65 4.605 3.501 -32.721 1.00 0.00 C ATOM 968 CD1 LEU A 65 4.879 3.374 -34.211 1.00 0.00 C ATOM 969 CD2 LEU A 65 4.551 2.128 -32.067 1.00 0.00 C ATOM 0 H LEU A 65 5.188 3.290 -29.602 1.00 0.00 H new ATOM 0 HA LEU A 65 5.787 5.997 -30.651 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.973 5.146 -32.757 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.546 3.755 -31.859 1.00 0.00 H new ATOM 0 HG LEU A 65 3.635 3.981 -32.591 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.112 2.751 -34.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.865 4.363 -34.669 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.857 2.917 -34.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.788 1.522 -32.556 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.521 1.640 -32.165 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.305 2.238 -31.011 1.00 0.00 H new ATOM 981 N LYS A 66 3.394 6.557 -31.103 1.00 0.00 N ATOM 982 CA LYS A 66 1.992 6.954 -31.155 1.00 0.00 C ATOM 983 C LYS A 66 1.771 8.037 -32.206 1.00 0.00 C ATOM 984 O LYS A 66 2.658 8.849 -32.468 1.00 0.00 O ATOM 985 CB LYS A 66 1.531 7.457 -29.785 1.00 0.00 C ATOM 986 CG LYS A 66 0.964 6.364 -28.895 1.00 0.00 C ATOM 987 CD LYS A 66 -0.419 5.933 -29.355 1.00 0.00 C ATOM 988 CE LYS A 66 -0.762 4.537 -28.858 1.00 0.00 C ATOM 989 NZ LYS A 66 -2.154 4.147 -29.215 1.00 0.00 N ATOM 0 H LYS A 66 4.051 7.295 -31.357 1.00 0.00 H new ATOM 0 HA LYS A 66 1.404 6.079 -31.431 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.373 7.927 -29.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.774 8.228 -29.926 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.635 5.505 -28.900 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.912 6.721 -27.867 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.162 6.643 -28.991 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.464 5.954 -30.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.063 3.818 -29.285 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.640 4.497 -27.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.349 3.190 -28.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.823 4.818 -28.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.264 4.160 -30.249 1.00 0.00 H new ATOM 1003 N GLN A 67 0.584 8.043 -32.803 1.00 0.00 N ATOM 1004 CA GLN A 67 0.249 9.028 -33.825 1.00 0.00 C ATOM 1005 C GLN A 67 -1.233 9.384 -33.772 1.00 0.00 C ATOM 1006 O GLN A 67 -2.097 8.509 -33.853 1.00 0.00 O ATOM 1007 CB GLN A 67 0.609 8.496 -35.213 1.00 0.00 C ATOM 1008 CG GLN A 67 2.101 8.287 -35.416 1.00 0.00 C ATOM 1009 CD GLN A 67 2.406 7.296 -36.522 1.00 0.00 C ATOM 1010 OE1 GLN A 67 1.547 6.507 -36.919 1.00 0.00 O ATOM 1011 NE2 GLN A 67 3.633 7.331 -37.027 1.00 0.00 N ATOM 0 H GLN A 67 -0.161 7.378 -32.597 1.00 0.00 H new ATOM 0 HA GLN A 67 0.828 9.930 -33.628 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.093 7.550 -35.376 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.242 9.193 -35.967 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.569 9.243 -35.650 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.545 7.935 -34.485 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.313 8.001 -36.668 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.896 6.688 -37.774 1.00 0.00 H new ATOM 1020 N THR A 68 -1.523 10.674 -33.637 1.00 0.00 N ATOM 1021 CA THR A 68 -2.900 11.146 -33.572 1.00 0.00 C ATOM 1022 C THR A 68 -3.179 12.180 -34.656 1.00 0.00 C ATOM 1023 O THR A 68 -4.245 12.175 -35.274 1.00 0.00 O ATOM 1024 CB THR A 68 -3.219 11.762 -32.197 1.00 0.00 C ATOM 1025 OG1 THR A 68 -2.234 12.746 -31.861 1.00 0.00 O ATOM 1026 CG2 THR A 68 -3.259 10.689 -31.119 1.00 0.00 C ATOM 0 H THR A 68 -0.821 11.411 -33.570 1.00 0.00 H new ATOM 0 HA THR A 68 -3.539 10.277 -33.730 1.00 0.00 H new ATOM 0 HB THR A 68 -4.200 12.234 -32.254 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.445 13.134 -30.986 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.486 11.148 -30.157 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.029 9.957 -31.363 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.290 10.192 -31.064 1.00 0.00 H new ATOM 1034 N LEU A 69 -2.216 13.066 -34.884 1.00 0.00 N ATOM 1035 CA LEU A 69 -2.357 14.107 -35.896 1.00 0.00 C ATOM 1036 C LEU A 69 -1.001 14.484 -36.483 1.00 0.00 C ATOM 1037 O LEU A 69 0.009 14.491 -35.780 1.00 0.00 O ATOM 1038 CB LEU A 69 -3.027 15.343 -35.294 1.00 0.00 C ATOM 1039 CG LEU A 69 -4.363 15.106 -34.589 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -4.699 16.274 -33.675 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -5.472 14.888 -35.608 1.00 0.00 C ATOM 0 H LEU A 69 -1.329 13.084 -34.381 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.983 13.717 -36.699 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.337 15.794 -34.580 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.183 16.071 -36.090 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.275 14.207 -33.979 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.653 16.087 -33.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.917 16.384 -32.923 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.768 17.189 -34.264 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.416 14.721 -35.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.559 15.768 -36.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.237 14.018 -36.222 1.00 0.00 H new ATOM 1053 N GLU A 70 -0.987 14.800 -37.774 1.00 0.00 N ATOM 1054 CA GLU A 70 0.246 15.180 -38.454 1.00 0.00 C ATOM 1055 C GLU A 70 0.147 16.598 -39.007 1.00 0.00 C ATOM 1056 O GLU A 70 -0.132 16.796 -40.189 1.00 0.00 O ATOM 1057 CB GLU A 70 0.553 14.199 -39.587 1.00 0.00 C ATOM 1058 CG GLU A 70 1.695 14.644 -40.485 1.00 0.00 C ATOM 1059 CD GLU A 70 2.301 13.498 -41.270 1.00 0.00 C ATOM 1060 OE1 GLU A 70 1.530 12.690 -41.831 1.00 0.00 O ATOM 1061 OE2 GLU A 70 3.545 13.407 -41.323 1.00 0.00 O ATOM 0 H GLU A 70 -1.815 14.800 -38.370 1.00 0.00 H new ATOM 0 HA GLU A 70 1.057 15.148 -37.726 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.797 13.227 -39.158 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.343 14.065 -40.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.332 15.403 -41.179 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.469 15.112 -39.877 1.00 0.00 H new ATOM 1068 N MET A 71 0.377 17.582 -38.144 1.00 0.00 N ATOM 1069 CA MET A 71 0.314 18.982 -38.546 1.00 0.00 C ATOM 1070 C MET A 71 1.274 19.260 -39.699 1.00 0.00 C ATOM 1071 O MET A 71 2.491 19.257 -39.519 1.00 0.00 O ATOM 1072 CB MET A 71 0.645 19.891 -37.361 1.00 0.00 C ATOM 1073 CG MET A 71 0.939 21.328 -37.760 1.00 0.00 C ATOM 1074 SD MET A 71 0.713 22.488 -36.398 1.00 0.00 S ATOM 1075 CE MET A 71 0.707 24.047 -37.279 1.00 0.00 C ATOM 0 H MET A 71 0.609 17.436 -37.162 1.00 0.00 H new ATOM 0 HA MET A 71 -0.701 19.192 -38.883 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.191 19.881 -36.661 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.508 19.486 -36.833 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.964 21.397 -38.125 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.287 21.612 -38.586 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.575 24.865 -36.571 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.654 24.171 -37.805 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.112 24.055 -37.999 1.00 0.00 H new ATOM 1085 N ASN A 72 0.718 19.500 -40.882 1.00 0.00 N ATOM 1086 CA ASN A 72 1.526 19.779 -42.064 1.00 0.00 C ATOM 1087 C ASN A 72 0.667 20.355 -43.186 1.00 0.00 C ATOM 1088 O ASN A 72 -0.218 19.681 -43.713 1.00 0.00 O ATOM 1089 CB ASN A 72 2.223 18.504 -42.543 1.00 0.00 C ATOM 1090 CG ASN A 72 3.289 18.784 -43.584 1.00 0.00 C ATOM 1091 OD1 ASN A 72 4.484 18.661 -43.315 1.00 0.00 O ATOM 1092 ND2 ASN A 72 2.860 19.165 -44.782 1.00 0.00 N ATOM 0 H ASN A 72 -0.288 19.507 -41.048 1.00 0.00 H new ATOM 0 HA ASN A 72 2.280 20.517 -41.792 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.676 17.998 -41.690 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.482 17.823 -42.960 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.531 19.369 -45.523 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.860 19.254 -44.961 1.00 0.00 H new ATOM 1099 N LEU A 73 0.936 21.605 -43.546 1.00 0.00 N ATOM 1100 CA LEU A 73 0.189 22.272 -44.606 1.00 0.00 C ATOM 1101 C LEU A 73 1.027 22.383 -45.876 1.00 0.00 C ATOM 1102 O LEU A 73 0.499 22.339 -46.988 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.251 23.664 -44.149 1.00 0.00 C ATOM 1104 CG LEU A 73 0.836 24.540 -43.524 1.00 0.00 C ATOM 1105 CD1 LEU A 73 0.528 26.012 -43.747 1.00 0.00 C ATOM 1106 CD2 LEU A 73 0.973 24.241 -42.038 1.00 0.00 C ATOM 0 H LEU A 73 1.665 22.177 -43.120 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.694 21.672 -44.826 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.666 24.192 -45.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.058 23.549 -43.425 1.00 0.00 H new ATOM 0 HG LEU A 73 1.785 24.311 -44.009 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.312 26.620 -43.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.481 26.216 -44.817 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.430 26.257 -43.289 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.751 24.873 -41.610 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.026 24.442 -41.538 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.241 23.193 -41.901 1.00 0.00 H new ATOM 1118 N THR A 74 2.338 22.526 -45.704 1.00 0.00 N ATOM 1119 CA THR A 74 3.249 22.642 -46.835 1.00 0.00 C ATOM 1120 C THR A 74 2.773 21.801 -48.013 1.00 0.00 C ATOM 1121 O THR A 74 3.033 20.600 -48.076 1.00 0.00 O ATOM 1122 CB THR A 74 4.677 22.208 -46.452 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.642 20.940 -45.788 1.00 0.00 O ATOM 1124 CG2 THR A 74 5.333 23.241 -45.550 1.00 0.00 C ATOM 0 H THR A 74 2.792 22.564 -44.791 1.00 0.00 H new ATOM 0 HA THR A 74 3.262 23.693 -47.125 1.00 0.00 H new ATOM 0 HB THR A 74 5.265 22.123 -47.366 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.553 20.671 -45.549 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.340 22.913 -45.293 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.385 24.198 -46.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.745 23.355 -44.639 1.00 0.00 H new ATOM 1132 N ASN A 75 2.074 22.440 -48.946 1.00 0.00 N ATOM 1133 CA ASN A 75 1.561 21.749 -50.124 1.00 0.00 C ATOM 1134 C ASN A 75 1.496 22.692 -51.322 1.00 0.00 C ATOM 1135 O ASN A 75 0.773 23.689 -51.302 1.00 0.00 O ATOM 1136 CB ASN A 75 0.173 21.172 -49.839 1.00 0.00 C ATOM 1137 CG ASN A 75 -0.937 22.157 -50.150 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -1.235 23.047 -49.353 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -1.556 22.002 -51.314 1.00 0.00 N ATOM 0 H ASN A 75 1.850 23.434 -48.909 1.00 0.00 H new ATOM 0 HA ASN A 75 2.244 20.933 -50.362 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.030 20.268 -50.431 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.112 20.879 -48.791 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.311 22.635 -51.578 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.276 21.250 -51.944 1.00 0.00 H new ATOM 1146 N LEU A 76 2.255 22.369 -52.363 1.00 0.00 N ATOM 1147 CA LEU A 76 2.284 23.187 -53.571 1.00 0.00 C ATOM 1148 C LEU A 76 3.105 22.512 -54.666 1.00 0.00 C ATOM 1149 O LEU A 76 4.335 22.496 -54.612 1.00 0.00 O ATOM 1150 CB LEU A 76 2.862 24.569 -53.262 1.00 0.00 C ATOM 1151 CG LEU A 76 2.396 25.709 -54.168 1.00 0.00 C ATOM 1152 CD1 LEU A 76 0.890 25.895 -54.060 1.00 0.00 C ATOM 1153 CD2 LEU A 76 3.121 27.000 -53.817 1.00 0.00 C ATOM 0 H LEU A 76 2.858 21.547 -52.395 1.00 0.00 H new ATOM 0 HA LEU A 76 1.260 23.301 -53.928 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.611 24.824 -52.232 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.949 24.507 -53.319 1.00 0.00 H new ATOM 0 HG LEU A 76 2.637 25.450 -55.199 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.576 26.711 -54.712 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.387 24.976 -54.361 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.626 26.132 -53.029 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.777 27.800 -54.472 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.912 27.264 -52.780 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.194 26.861 -53.947 1.00 0.00 H new ATOM 1165 N VAL A 77 2.417 21.958 -55.659 1.00 0.00 N ATOM 1166 CA VAL A 77 3.083 21.286 -56.768 1.00 0.00 C ATOM 1167 C VAL A 77 4.112 22.198 -57.426 1.00 0.00 C ATOM 1168 O VAL A 77 4.263 23.359 -57.045 1.00 0.00 O ATOM 1169 CB VAL A 77 2.071 20.821 -57.832 1.00 0.00 C ATOM 1170 CG1 VAL A 77 1.116 19.791 -57.247 1.00 0.00 C ATOM 1171 CG2 VAL A 77 1.306 22.010 -58.394 1.00 0.00 C ATOM 0 H VAL A 77 1.399 21.961 -55.718 1.00 0.00 H new ATOM 0 HA VAL A 77 3.588 20.414 -56.352 1.00 0.00 H new ATOM 0 HB VAL A 77 2.619 20.351 -58.649 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.408 19.474 -58.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.682 18.928 -56.897 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.572 20.232 -56.411 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.595 21.664 -59.144 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.768 22.510 -57.589 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.006 22.709 -58.852 1.00 0.00 H new ATOM 1181 N LYS A 78 4.820 21.665 -58.416 1.00 0.00 N ATOM 1182 CA LYS A 78 5.835 22.430 -59.130 1.00 0.00 C ATOM 1183 C LYS A 78 6.396 21.630 -60.301 1.00 0.00 C ATOM 1184 O LYS A 78 6.147 20.431 -60.422 1.00 0.00 O ATOM 1185 CB LYS A 78 6.968 22.825 -58.179 1.00 0.00 C ATOM 1186 CG LYS A 78 7.816 23.977 -58.689 1.00 0.00 C ATOM 1187 CD LYS A 78 8.495 24.717 -57.549 1.00 0.00 C ATOM 1188 CE LYS A 78 9.661 23.921 -56.984 1.00 0.00 C ATOM 1189 NZ LYS A 78 10.248 24.575 -55.781 1.00 0.00 N ATOM 0 H LYS A 78 4.709 20.705 -58.742 1.00 0.00 H new ATOM 0 HA LYS A 78 5.366 23.333 -59.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.542 23.098 -57.213 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.609 21.959 -58.011 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.570 23.597 -59.378 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.190 24.669 -59.252 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.851 25.684 -57.903 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.770 24.914 -56.759 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.324 22.918 -56.724 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.430 23.810 -57.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.040 24.002 -55.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.593 25.523 -56.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.521 24.658 -55.042 1.00 0.00 H new ATOM 1203 N SER A 79 7.154 22.302 -61.161 1.00 0.00 N ATOM 1204 CA SER A 79 7.749 21.653 -62.325 1.00 0.00 C ATOM 1205 C SER A 79 9.268 21.592 -62.196 1.00 0.00 C ATOM 1206 O SER A 79 9.838 22.062 -61.212 1.00 0.00 O ATOM 1207 CB SER A 79 7.364 22.400 -63.603 1.00 0.00 C ATOM 1208 OG SER A 79 6.085 21.999 -64.063 1.00 0.00 O ATOM 0 H SER A 79 7.371 23.295 -61.075 1.00 0.00 H new ATOM 0 HA SER A 79 7.365 20.634 -62.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.366 23.474 -63.415 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.108 22.211 -64.377 1.00 0.00 H new ATOM 0 HG SER A 79 5.862 22.492 -64.880 1.00 0.00 H new ATOM 1214 N GLY A 80 9.917 21.008 -63.198 1.00 0.00 N ATOM 1215 CA GLY A 80 11.364 20.895 -63.178 1.00 0.00 C ATOM 1216 C GLY A 80 11.983 21.128 -64.543 1.00 0.00 C ATOM 1217 O GLY A 80 11.410 20.778 -65.575 1.00 0.00 O ATOM 0 H GLY A 80 9.467 20.611 -64.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.772 21.616 -62.470 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.643 19.904 -62.820 1.00 0.00 H new ATOM 1221 N PRO A 81 13.179 21.734 -64.559 1.00 0.00 N ATOM 1222 CA PRO A 81 13.901 22.027 -65.800 1.00 0.00 C ATOM 1223 C PRO A 81 14.421 20.766 -66.481 1.00 0.00 C ATOM 1224 O PRO A 81 14.074 19.651 -66.092 1.00 0.00 O ATOM 1225 CB PRO A 81 15.067 22.903 -65.334 1.00 0.00 C ATOM 1226 CG PRO A 81 15.279 22.524 -63.909 1.00 0.00 C ATOM 1227 CD PRO A 81 13.920 22.178 -63.366 1.00 0.00 C ATOM 0 HA PRO A 81 13.260 22.505 -66.541 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.962 22.721 -65.929 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.830 23.962 -65.431 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.959 21.676 -63.828 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.725 23.346 -63.349 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.976 21.392 -62.613 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.445 23.038 -62.895 1.00 0.00 H new ATOM 1235 N SER A 82 15.257 20.949 -67.498 1.00 0.00 N ATOM 1236 CA SER A 82 15.822 19.826 -68.235 1.00 0.00 C ATOM 1237 C SER A 82 17.347 19.885 -68.230 1.00 0.00 C ATOM 1238 O SER A 82 17.941 20.821 -67.696 1.00 0.00 O ATOM 1239 CB SER A 82 15.306 19.821 -69.675 1.00 0.00 C ATOM 1240 OG SER A 82 13.956 19.390 -69.731 1.00 0.00 O ATOM 0 H SER A 82 15.558 21.865 -67.830 1.00 0.00 H new ATOM 0 HA SER A 82 15.509 18.906 -67.741 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.389 20.822 -70.098 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.926 19.164 -70.285 1.00 0.00 H new ATOM 0 HG SER A 82 13.649 19.397 -70.662 1.00 0.00 H new ATOM 1246 N SER A 83 17.974 18.877 -68.829 1.00 0.00 N ATOM 1247 CA SER A 83 19.429 18.811 -68.890 1.00 0.00 C ATOM 1248 C SER A 83 19.906 18.681 -70.334 1.00 0.00 C ATOM 1249 O SER A 83 19.101 18.592 -71.260 1.00 0.00 O ATOM 1250 CB SER A 83 19.943 17.631 -68.063 1.00 0.00 C ATOM 1251 OG SER A 83 20.032 17.971 -66.690 1.00 0.00 O ATOM 0 H SER A 83 17.497 18.096 -69.279 1.00 0.00 H new ATOM 0 HA SER A 83 19.828 19.737 -68.475 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.276 16.778 -68.187 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.923 17.325 -68.430 1.00 0.00 H new ATOM 0 HG SER A 83 20.361 17.200 -66.183 1.00 0.00 H new ATOM 1257 N GLY A 84 21.223 18.670 -70.517 1.00 0.00 N ATOM 1258 CA GLY A 84 21.786 18.551 -71.849 1.00 0.00 C ATOM 1259 C GLY A 84 22.366 17.176 -72.112 1.00 0.00 C ATOM 1260 O GLY A 84 21.742 16.182 -71.744 1.00 0.00 O ATOM 0 H GLY A 84 21.910 18.741 -69.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.013 18.763 -72.587 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.565 19.302 -71.979 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.955 -0.934 -8.192 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.591 1.688 -4.824 1.00 0.00 ZN