USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 SER OG : rot 106:sc= 0.351 USER MOD Set 1.2: A 75 THR OG1 : rot 31:sc= 0.779 USER MOD Set 2.1: A 37 SER OG : rot -142:sc= 0.553 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.042) USER MOD Single : A 1 HIS N :NH3+ -172:sc= 0 (180deg=-0.0643) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.281 K(o=-0.28,f=-0.97) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc=-0.00675 (180deg=-0.124) USER MOD Single : A 12 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-4.1!) USER MOD Single : A 13 MET CE :methyl 159:sc= -0.165 (180deg=-0.744) USER MOD Single : A 18 SER OG : rot 38:sc= 0.798 USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= -3.11! (180deg=-5.97!) USER MOD Single : A 30 LYS NZ :NH3+ -106:sc= -2.99! (180deg=-5.58!) USER MOD Single : A 31 MET CE :methyl 162:sc= -0.104 (180deg=-0.587) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.56) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -0.0156 (180deg=-0.183) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -0.175 (180deg=-0.797) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 143:sc= -0.285 (180deg=-1.92) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0823 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -28.826 -14.963 2.424 1.00 0.00 N ATOM 2 CA HIS A 1 -29.550 -14.107 1.448 1.00 0.00 C ATOM 3 C HIS A 1 -29.749 -12.696 1.991 1.00 0.00 C ATOM 4 O HIS A 1 -30.632 -12.456 2.814 1.00 0.00 O ATOM 5 CB HIS A 1 -30.903 -14.751 1.144 1.00 0.00 C ATOM 6 CG HIS A 1 -30.795 -16.097 0.496 1.00 0.00 C ATOM 7 ND1 HIS A 1 -30.178 -16.299 -0.721 1.00 0.00 N ATOM 8 CD2 HIS A 1 -31.229 -17.314 0.902 1.00 0.00 C ATOM 9 CE1 HIS A 1 -30.239 -17.580 -1.037 1.00 0.00 C ATOM 10 NE2 HIS A 1 -30.870 -18.217 -0.068 1.00 0.00 N ATOM 0 H1 HIS A 1 -28.586 -15.871 1.978 1.00 0.00 H new ATOM 0 H2 HIS A 1 -27.954 -14.484 2.726 1.00 0.00 H new ATOM 0 H3 HIS A 1 -29.431 -15.133 3.252 1.00 0.00 H new ATOM 0 HA HIS A 1 -28.958 -14.027 0.536 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -31.466 -14.848 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -31.473 -14.088 0.493 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -31.758 -17.533 1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -29.841 -18.029 -1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -31.060 -19.219 -0.044 1.00 0.00 H new ATOM 21 N SER A 2 -28.923 -11.766 1.523 1.00 0.00 N ATOM 22 CA SER A 2 -29.007 -10.378 1.959 1.00 0.00 C ATOM 23 C SER A 2 -29.627 -9.507 0.871 1.00 0.00 C ATOM 24 O SER A 2 -29.616 -9.867 -0.307 1.00 0.00 O ATOM 25 CB SER A 2 -27.619 -9.849 2.324 1.00 0.00 C ATOM 26 OG SER A 2 -27.031 -10.626 3.354 1.00 0.00 O ATOM 0 H SER A 2 -28.187 -11.949 0.841 1.00 0.00 H new ATOM 0 HA SER A 2 -29.645 -10.337 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.978 -9.863 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.695 -8.811 2.646 1.00 0.00 H new ATOM 0 HG SER A 2 -26.144 -10.268 3.568 1.00 0.00 H new ATOM 32 N SER A 3 -30.166 -8.359 1.271 1.00 0.00 N ATOM 33 CA SER A 3 -30.790 -7.438 0.328 1.00 0.00 C ATOM 34 C SER A 3 -29.767 -6.456 -0.235 1.00 0.00 C ATOM 35 O SER A 3 -30.126 -5.397 -0.750 1.00 0.00 O ATOM 36 CB SER A 3 -31.929 -6.675 1.006 1.00 0.00 C ATOM 37 OG SER A 3 -31.454 -5.927 2.112 1.00 0.00 O ATOM 0 H SER A 3 -30.183 -8.045 2.241 1.00 0.00 H new ATOM 0 HA SER A 3 -31.195 -8.023 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.402 -6.006 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.694 -7.377 1.339 1.00 0.00 H new ATOM 0 HG SER A 3 -32.201 -5.447 2.527 1.00 0.00 H new ATOM 43 N GLY A 4 -28.491 -6.816 -0.132 1.00 0.00 N ATOM 44 CA GLY A 4 -27.434 -5.958 -0.635 1.00 0.00 C ATOM 45 C GLY A 4 -27.218 -4.735 0.234 1.00 0.00 C ATOM 46 O GLY A 4 -28.130 -4.296 0.936 1.00 0.00 O ATOM 0 H GLY A 4 -28.170 -7.687 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.506 -6.527 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.679 -5.641 -1.649 1.00 0.00 H new ATOM 50 N HIS A 5 -26.010 -4.182 0.189 1.00 0.00 N ATOM 51 CA HIS A 5 -25.680 -3.002 0.980 1.00 0.00 C ATOM 52 C HIS A 5 -25.426 -1.797 0.081 1.00 0.00 C ATOM 53 O HIS A 5 -24.506 -1.014 0.319 1.00 0.00 O ATOM 54 CB HIS A 5 -24.455 -3.273 1.856 1.00 0.00 C ATOM 55 CG HIS A 5 -24.663 -4.372 2.851 1.00 0.00 C ATOM 56 ND1 HIS A 5 -24.972 -5.667 2.490 1.00 0.00 N ATOM 57 CD2 HIS A 5 -24.609 -4.364 4.204 1.00 0.00 C ATOM 58 CE1 HIS A 5 -25.099 -6.407 3.577 1.00 0.00 C ATOM 59 NE2 HIS A 5 -24.883 -5.640 4.630 1.00 0.00 N ATOM 0 H HIS A 5 -25.244 -4.532 -0.386 1.00 0.00 H new ATOM 0 HA HIS A 5 -26.531 -2.777 1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.610 -3.528 1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.188 -2.359 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.391 -3.512 4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -25.339 -7.460 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -24.915 -5.946 5.602 1.00 0.00 H new ATOM 68 N ILE A 6 -26.251 -1.652 -0.952 1.00 0.00 N ATOM 69 CA ILE A 6 -26.119 -0.541 -1.886 1.00 0.00 C ATOM 70 C ILE A 6 -26.461 0.782 -1.206 1.00 0.00 C ATOM 71 O ILE A 6 -27.611 1.222 -1.220 1.00 0.00 O ATOM 72 CB ILE A 6 -27.028 -0.731 -3.119 1.00 0.00 C ATOM 73 CG1 ILE A 6 -26.710 -2.059 -3.813 1.00 0.00 C ATOM 74 CG2 ILE A 6 -26.862 0.434 -4.086 1.00 0.00 C ATOM 75 CD1 ILE A 6 -27.598 -2.352 -5.005 1.00 0.00 C ATOM 0 H ILE A 6 -27.018 -2.291 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 6 -25.081 -0.520 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 6 -28.066 -0.755 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -25.670 -2.048 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -26.808 -2.869 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.510 0.285 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -27.133 1.364 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -25.824 0.488 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -27.313 -3.308 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -28.638 -2.396 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -27.482 -1.563 -5.748 1.00 0.00 H new ATOM 87 N ASP A 7 -25.453 1.410 -0.606 1.00 0.00 N ATOM 88 CA ASP A 7 -25.645 2.681 0.084 1.00 0.00 C ATOM 89 C ASP A 7 -24.303 3.349 0.377 1.00 0.00 C ATOM 90 O ASP A 7 -23.874 4.243 -0.352 1.00 0.00 O ATOM 91 CB ASP A 7 -26.421 2.464 1.385 1.00 0.00 C ATOM 92 CG ASP A 7 -26.669 3.757 2.136 1.00 0.00 C ATOM 93 OD1 ASP A 7 -27.278 4.677 1.550 1.00 0.00 O ATOM 94 OD2 ASP A 7 -26.260 3.847 3.312 1.00 0.00 O ATOM 0 H ASP A 7 -24.496 1.059 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 7 -26.220 3.339 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -27.376 1.990 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -25.867 1.777 2.024 1.00 0.00 H new ATOM 99 N ASP A 8 -23.644 2.908 1.445 1.00 0.00 N ATOM 100 CA ASP A 8 -22.349 3.462 1.826 1.00 0.00 C ATOM 101 C ASP A 8 -21.664 2.585 2.868 1.00 0.00 C ATOM 102 O ASP A 8 -20.843 3.062 3.653 1.00 0.00 O ATOM 103 CB ASP A 8 -22.510 4.889 2.361 1.00 0.00 C ATOM 104 CG ASP A 8 -23.446 4.969 3.552 1.00 0.00 C ATOM 105 OD1 ASP A 8 -23.174 4.298 4.570 1.00 0.00 O ATOM 106 OD2 ASP A 8 -24.446 5.712 3.470 1.00 0.00 O ATOM 0 H ASP A 8 -23.985 2.170 2.061 1.00 0.00 H new ATOM 0 HA ASP A 8 -21.722 3.489 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -21.532 5.277 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -22.888 5.530 1.564 1.00 0.00 H new ATOM 111 N ASP A 9 -22.004 1.300 2.868 1.00 0.00 N ATOM 112 CA ASP A 9 -21.419 0.355 3.811 1.00 0.00 C ATOM 113 C ASP A 9 -20.191 -0.321 3.206 1.00 0.00 C ATOM 114 O ASP A 9 -19.073 0.171 3.343 1.00 0.00 O ATOM 115 CB ASP A 9 -22.455 -0.695 4.220 1.00 0.00 C ATOM 116 CG ASP A 9 -21.902 -1.695 5.217 1.00 0.00 C ATOM 117 OD1 ASP A 9 -21.486 -1.271 6.316 1.00 0.00 O ATOM 118 OD2 ASP A 9 -21.884 -2.903 4.899 1.00 0.00 O ATOM 0 H ASP A 9 -22.682 0.890 2.225 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.106 0.905 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.322 -0.196 4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.802 -1.225 3.333 1.00 0.00 H new ATOM 123 N ASP A 10 -20.407 -1.451 2.538 1.00 0.00 N ATOM 124 CA ASP A 10 -19.319 -2.195 1.910 1.00 0.00 C ATOM 125 C ASP A 10 -19.242 -1.880 0.416 1.00 0.00 C ATOM 126 O ASP A 10 -18.262 -2.210 -0.252 1.00 0.00 O ATOM 127 CB ASP A 10 -19.520 -3.698 2.121 1.00 0.00 C ATOM 128 CG ASP A 10 -18.315 -4.519 1.697 1.00 0.00 C ATOM 129 OD1 ASP A 10 -17.284 -3.920 1.325 1.00 0.00 O ATOM 130 OD2 ASP A 10 -18.401 -5.764 1.748 1.00 0.00 O ATOM 0 H ASP A 10 -21.328 -1.872 2.418 1.00 0.00 H new ATOM 0 HA ASP A 10 -18.381 -1.893 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.731 -3.887 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.393 -4.026 1.557 1.00 0.00 H new ATOM 135 N LYS A 11 -20.290 -1.248 -0.102 1.00 0.00 N ATOM 136 CA LYS A 11 -20.358 -0.897 -1.516 1.00 0.00 C ATOM 137 C LYS A 11 -19.708 0.455 -1.782 1.00 0.00 C ATOM 138 O LYS A 11 -19.518 0.847 -2.934 1.00 0.00 O ATOM 139 CB LYS A 11 -21.814 -0.876 -1.984 1.00 0.00 C ATOM 140 CG LYS A 11 -22.511 -2.223 -1.864 1.00 0.00 C ATOM 141 CD LYS A 11 -21.866 -3.267 -2.762 1.00 0.00 C ATOM 142 CE LYS A 11 -22.603 -4.596 -2.693 1.00 0.00 C ATOM 143 NZ LYS A 11 -22.557 -5.189 -1.329 1.00 0.00 N ATOM 0 H LYS A 11 -21.108 -0.967 0.439 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.809 -1.654 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -22.364 -0.138 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -21.848 -0.550 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.476 -2.561 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -23.563 -2.114 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.858 -2.908 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.827 -3.411 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -23.642 -4.450 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -22.162 -5.292 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.935 -6.158 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.573 -5.211 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.131 -4.613 -0.681 1.00 0.00 H new ATOM 157 N HIS A 12 -19.370 1.163 -0.712 1.00 0.00 N ATOM 158 CA HIS A 12 -18.744 2.466 -0.829 1.00 0.00 C ATOM 159 C HIS A 12 -17.375 2.326 -1.476 1.00 0.00 C ATOM 160 O HIS A 12 -16.893 3.233 -2.156 1.00 0.00 O ATOM 161 CB HIS A 12 -18.612 3.102 0.555 1.00 0.00 C ATOM 162 CG HIS A 12 -17.499 2.532 1.381 1.00 0.00 C ATOM 163 ND1 HIS A 12 -17.383 1.188 1.666 1.00 0.00 N ATOM 164 CD2 HIS A 12 -16.445 3.134 1.982 1.00 0.00 C ATOM 165 CE1 HIS A 12 -16.308 0.988 2.408 1.00 0.00 C ATOM 166 NE2 HIS A 12 -15.721 2.153 2.613 1.00 0.00 N ATOM 0 H HIS A 12 -19.521 0.852 0.248 1.00 0.00 H new ATOM 0 HA HIS A 12 -19.364 3.108 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -18.452 4.174 0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -19.552 2.977 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.217 4.189 1.968 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.967 0.034 2.783 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.868 2.300 3.153 1.00 0.00 H new ATOM 175 N MET A 13 -16.759 1.173 -1.252 1.00 0.00 N ATOM 176 CA MET A 13 -15.440 0.881 -1.802 1.00 0.00 C ATOM 177 C MET A 13 -15.556 0.279 -3.201 1.00 0.00 C ATOM 178 O MET A 13 -14.556 0.102 -3.899 1.00 0.00 O ATOM 179 CB MET A 13 -14.686 -0.079 -0.876 1.00 0.00 C ATOM 180 CG MET A 13 -13.270 -0.391 -1.333 1.00 0.00 C ATOM 181 SD MET A 13 -12.414 -1.528 -0.225 1.00 0.00 S ATOM 182 CE MET A 13 -13.481 -2.964 -0.317 1.00 0.00 C ATOM 0 H MET A 13 -17.154 0.419 -0.689 1.00 0.00 H new ATOM 0 HA MET A 13 -14.884 1.816 -1.877 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.648 0.352 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.247 -1.011 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.302 -0.821 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.703 0.537 -1.403 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.926 -3.850 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.337 -2.824 0.344 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.831 -3.092 -1.341 1.00 0.00 H new ATOM 192 N ALA A 14 -16.781 -0.040 -3.603 1.00 0.00 N ATOM 193 CA ALA A 14 -17.025 -0.632 -4.914 1.00 0.00 C ATOM 194 C ALA A 14 -17.298 0.429 -5.976 1.00 0.00 C ATOM 195 O ALA A 14 -17.181 0.160 -7.173 1.00 0.00 O ATOM 196 CB ALA A 14 -18.189 -1.608 -4.837 1.00 0.00 C ATOM 0 H ALA A 14 -17.620 0.101 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.122 -1.166 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.363 -2.045 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.954 -2.399 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.085 -1.080 -4.510 1.00 0.00 H new ATOM 202 N GLU A 15 -17.670 1.631 -5.543 1.00 0.00 N ATOM 203 CA GLU A 15 -17.964 2.711 -6.468 1.00 0.00 C ATOM 204 C GLU A 15 -16.727 3.559 -6.755 1.00 0.00 C ATOM 205 O GLU A 15 -15.972 3.272 -7.685 1.00 0.00 O ATOM 206 CB GLU A 15 -19.117 3.564 -5.925 1.00 0.00 C ATOM 207 CG GLU A 15 -18.997 3.918 -4.448 1.00 0.00 C ATOM 208 CD GLU A 15 -20.133 4.802 -3.967 1.00 0.00 C ATOM 209 OE1 GLU A 15 -21.004 5.154 -4.791 1.00 0.00 O ATOM 210 OE2 GLU A 15 -20.150 5.144 -2.766 1.00 0.00 O ATOM 0 H GLU A 15 -17.774 1.877 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.273 2.276 -7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.174 4.486 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.054 3.030 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.980 3.001 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.048 4.426 -4.276 1.00 0.00 H new ATOM 217 N ARG A 16 -16.527 4.600 -5.961 1.00 0.00 N ATOM 218 CA ARG A 16 -15.385 5.496 -6.132 1.00 0.00 C ATOM 219 C ARG A 16 -14.976 6.124 -4.803 1.00 0.00 C ATOM 220 O ARG A 16 -13.923 6.754 -4.704 1.00 0.00 O ATOM 221 CB ARG A 16 -15.721 6.610 -7.129 1.00 0.00 C ATOM 222 CG ARG A 16 -16.087 6.117 -8.521 1.00 0.00 C ATOM 223 CD ARG A 16 -16.378 7.277 -9.461 1.00 0.00 C ATOM 224 NE ARG A 16 -16.821 6.824 -10.779 1.00 0.00 N ATOM 225 CZ ARG A 16 -17.953 6.158 -10.994 1.00 0.00 C ATOM 226 NH1 ARG A 16 -18.765 5.871 -9.985 1.00 0.00 N ATOM 227 NH2 ARG A 16 -18.277 5.783 -12.223 1.00 0.00 N ATOM 0 H ARG A 16 -17.143 4.849 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.556 4.901 -6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.551 7.196 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.866 7.281 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.270 5.517 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -16.960 5.467 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.145 7.915 -9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.481 7.887 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.227 7.031 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -18.523 6.161 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.631 5.360 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.659 6.005 -13.004 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.144 5.273 -12.388 1.00 0.00 H new ATOM 241 N LEU A 17 -15.823 5.967 -3.790 1.00 0.00 N ATOM 242 CA LEU A 17 -15.553 6.539 -2.475 1.00 0.00 C ATOM 243 C LEU A 17 -14.285 5.953 -1.861 1.00 0.00 C ATOM 244 O LEU A 17 -14.276 4.819 -1.383 1.00 0.00 O ATOM 245 CB LEU A 17 -16.740 6.309 -1.537 1.00 0.00 C ATOM 246 CG LEU A 17 -16.665 7.047 -0.198 1.00 0.00 C ATOM 247 CD1 LEU A 17 -16.565 8.550 -0.417 1.00 0.00 C ATOM 248 CD2 LEU A 17 -17.879 6.714 0.658 1.00 0.00 C ATOM 0 H LEU A 17 -16.700 5.450 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 17 -15.403 7.611 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.652 6.613 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.825 5.240 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.768 6.718 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -16.513 9.056 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.668 8.775 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.443 8.898 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -17.812 7.246 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.787 7.017 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -17.909 5.641 0.845 1.00 0.00 H new ATOM 260 N SER A 18 -13.220 6.747 -1.873 1.00 0.00 N ATOM 261 CA SER A 18 -11.938 6.335 -1.312 1.00 0.00 C ATOM 262 C SER A 18 -11.212 7.547 -0.740 1.00 0.00 C ATOM 263 O SER A 18 -10.738 8.404 -1.486 1.00 0.00 O ATOM 264 CB SER A 18 -11.078 5.662 -2.384 1.00 0.00 C ATOM 265 OG SER A 18 -10.823 6.544 -3.463 1.00 0.00 O ATOM 0 H SER A 18 -13.220 7.687 -2.269 1.00 0.00 H new ATOM 0 HA SER A 18 -12.118 5.616 -0.512 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.134 5.337 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.583 4.769 -2.752 1.00 0.00 H new ATOM 0 HG SER A 18 -10.684 7.451 -3.118 1.00 0.00 H new ATOM 271 N GLU A 19 -11.151 7.632 0.587 1.00 0.00 N ATOM 272 CA GLU A 19 -10.506 8.766 1.240 1.00 0.00 C ATOM 273 C GLU A 19 -9.054 8.922 0.792 1.00 0.00 C ATOM 274 O GLU A 19 -8.690 9.945 0.212 1.00 0.00 O ATOM 275 CB GLU A 19 -10.570 8.604 2.759 1.00 0.00 C ATOM 276 CG GLU A 19 -9.982 9.778 3.526 1.00 0.00 C ATOM 277 CD GLU A 19 -10.065 9.595 5.029 1.00 0.00 C ATOM 278 OE1 GLU A 19 -10.571 8.542 5.473 1.00 0.00 O ATOM 279 OE2 GLU A 19 -9.625 10.505 5.763 1.00 0.00 O ATOM 0 H GLU A 19 -11.537 6.936 1.225 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.045 9.668 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.610 8.471 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.039 7.695 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.939 9.910 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.508 10.690 3.245 1.00 0.00 H new ATOM 286 N GLU A 20 -8.224 7.910 1.045 1.00 0.00 N ATOM 287 CA GLU A 20 -6.825 7.976 0.635 1.00 0.00 C ATOM 288 C GLU A 20 -6.604 7.347 -0.743 1.00 0.00 C ATOM 289 O GLU A 20 -6.308 8.049 -1.711 1.00 0.00 O ATOM 290 CB GLU A 20 -5.904 7.330 1.684 1.00 0.00 C ATOM 291 CG GLU A 20 -6.546 6.230 2.526 1.00 0.00 C ATOM 292 CD GLU A 20 -7.578 6.759 3.503 1.00 0.00 C ATOM 293 OE1 GLU A 20 -7.230 7.639 4.318 1.00 0.00 O ATOM 294 OE2 GLU A 20 -8.733 6.286 3.458 1.00 0.00 O ATOM 0 H GLU A 20 -8.491 7.050 1.523 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.565 9.032 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.035 6.914 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.538 8.110 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.018 5.503 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.768 5.702 3.078 1.00 0.00 H new ATOM 301 N GLU A 21 -6.762 6.026 -0.827 1.00 0.00 N ATOM 302 CA GLU A 21 -6.595 5.300 -2.084 1.00 0.00 C ATOM 303 C GLU A 21 -6.892 3.813 -1.874 1.00 0.00 C ATOM 304 O GLU A 21 -6.388 2.954 -2.599 1.00 0.00 O ATOM 305 CB GLU A 21 -5.180 5.496 -2.637 1.00 0.00 C ATOM 306 CG GLU A 21 -4.985 4.955 -4.045 1.00 0.00 C ATOM 307 CD GLU A 21 -5.912 5.605 -5.053 1.00 0.00 C ATOM 308 OE1 GLU A 21 -5.838 6.841 -5.218 1.00 0.00 O ATOM 309 OE2 GLU A 21 -6.712 4.877 -5.679 1.00 0.00 O ATOM 0 H GLU A 21 -7.007 5.434 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.301 5.697 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.943 6.560 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.470 5.008 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.951 5.115 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.154 3.878 -4.043 1.00 0.00 H new ATOM 316 N ILE A 22 -7.706 3.521 -0.861 1.00 0.00 N ATOM 317 CA ILE A 22 -8.075 2.146 -0.524 1.00 0.00 C ATOM 318 C ILE A 22 -8.583 1.368 -1.736 1.00 0.00 C ATOM 319 O ILE A 22 -8.719 0.145 -1.686 1.00 0.00 O ATOM 320 CB ILE A 22 -9.136 2.109 0.600 1.00 0.00 C ATOM 321 CG1 ILE A 22 -10.302 3.059 0.297 1.00 0.00 C ATOM 322 CG2 ILE A 22 -8.499 2.462 1.935 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.226 2.579 -0.803 1.00 0.00 C ATOM 0 H ILE A 22 -8.126 4.225 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.164 1.663 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.535 1.096 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.884 3.203 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.899 4.033 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.256 2.433 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.712 1.744 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.072 3.463 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.022 3.308 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.661 2.462 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.661 1.620 -0.520 1.00 0.00 H new ATOM 335 N GLY A 23 -8.866 2.083 -2.818 1.00 0.00 N ATOM 336 CA GLY A 23 -9.362 1.447 -4.025 1.00 0.00 C ATOM 337 C GLY A 23 -8.460 0.330 -4.517 1.00 0.00 C ATOM 338 O GLY A 23 -8.940 -0.715 -4.957 1.00 0.00 O ATOM 0 H GLY A 23 -8.761 3.096 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.358 1.046 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.464 2.197 -4.809 1.00 0.00 H new ATOM 342 N GLY A 24 -7.151 0.552 -4.446 1.00 0.00 N ATOM 343 CA GLY A 24 -6.202 -0.451 -4.895 1.00 0.00 C ATOM 344 C GLY A 24 -5.740 -1.365 -3.777 1.00 0.00 C ATOM 345 O GLY A 24 -4.993 -2.316 -4.011 1.00 0.00 O ATOM 0 H GLY A 24 -6.730 1.409 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.659 -1.050 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.336 0.045 -5.334 1.00 0.00 H new ATOM 349 N LEU A 25 -6.179 -1.069 -2.559 1.00 0.00 N ATOM 350 CA LEU A 25 -5.807 -1.859 -1.390 1.00 0.00 C ATOM 351 C LEU A 25 -6.137 -3.334 -1.581 1.00 0.00 C ATOM 352 O LEU A 25 -5.347 -4.207 -1.223 1.00 0.00 O ATOM 353 CB LEU A 25 -6.524 -1.311 -0.145 1.00 0.00 C ATOM 354 CG LEU A 25 -6.322 -2.093 1.165 1.00 0.00 C ATOM 355 CD1 LEU A 25 -7.212 -3.327 1.212 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.862 -2.487 1.344 1.00 0.00 C ATOM 0 H LEU A 25 -6.796 -0.283 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.728 -1.778 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.192 -0.285 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.592 -1.271 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.606 -1.436 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.047 -3.859 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.257 -3.025 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.970 -3.982 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.746 -3.038 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.550 -3.115 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.244 -1.590 1.373 1.00 0.00 H new ATOM 368 N LYS A 26 -7.318 -3.606 -2.113 1.00 0.00 N ATOM 369 CA LYS A 26 -7.767 -4.977 -2.311 1.00 0.00 C ATOM 370 C LYS A 26 -7.105 -5.654 -3.510 1.00 0.00 C ATOM 371 O LYS A 26 -6.944 -6.875 -3.521 1.00 0.00 O ATOM 372 CB LYS A 26 -9.287 -5.007 -2.476 1.00 0.00 C ATOM 373 CG LYS A 26 -9.850 -6.406 -2.668 1.00 0.00 C ATOM 374 CD LYS A 26 -11.370 -6.402 -2.783 1.00 0.00 C ATOM 375 CE LYS A 26 -11.849 -5.720 -4.059 1.00 0.00 C ATOM 376 NZ LYS A 26 -11.609 -4.249 -4.041 1.00 0.00 N ATOM 0 H LYS A 26 -7.984 -2.896 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.471 -5.538 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.749 -4.556 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.563 -4.392 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.420 -6.849 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.552 -7.034 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.737 -7.428 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.797 -5.893 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.338 -6.158 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.914 -5.910 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.458 -3.755 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.396 -3.944 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.805 -4.021 -4.659 1.00 0.00 H new ATOM 390 N GLU A 27 -6.758 -4.882 -4.535 1.00 0.00 N ATOM 391 CA GLU A 27 -6.163 -5.464 -5.735 1.00 0.00 C ATOM 392 C GLU A 27 -4.635 -5.571 -5.680 1.00 0.00 C ATOM 393 O GLU A 27 -4.088 -6.674 -5.655 1.00 0.00 O ATOM 394 CB GLU A 27 -6.575 -4.651 -6.963 1.00 0.00 C ATOM 395 CG GLU A 27 -6.096 -5.247 -8.276 1.00 0.00 C ATOM 396 CD GLU A 27 -6.545 -4.441 -9.478 1.00 0.00 C ATOM 397 OE1 GLU A 27 -6.172 -3.253 -9.570 1.00 0.00 O ATOM 398 OE2 GLU A 27 -7.272 -4.998 -10.328 1.00 0.00 O ATOM 0 H GLU A 27 -6.875 -3.869 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.542 -6.484 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.662 -4.569 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.181 -3.639 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.008 -5.306 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.470 -6.267 -8.366 1.00 0.00 H new ATOM 405 N LEU A 28 -3.947 -4.431 -5.715 1.00 0.00 N ATOM 406 CA LEU A 28 -2.481 -4.425 -5.724 1.00 0.00 C ATOM 407 C LEU A 28 -1.838 -4.367 -4.337 1.00 0.00 C ATOM 408 O LEU A 28 -0.996 -5.205 -4.013 1.00 0.00 O ATOM 409 CB LEU A 28 -1.945 -3.272 -6.585 1.00 0.00 C ATOM 410 CG LEU A 28 -2.510 -1.884 -6.273 1.00 0.00 C ATOM 411 CD1 LEU A 28 -1.557 -0.802 -6.758 1.00 0.00 C ATOM 412 CD2 LEU A 28 -3.872 -1.705 -6.925 1.00 0.00 C ATOM 0 H LEU A 28 -4.375 -3.505 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.199 -5.386 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.861 -3.235 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.151 -3.500 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.623 -1.796 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.973 0.179 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.595 -0.914 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.419 -0.895 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.259 -0.713 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.775 -1.813 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.559 -2.461 -6.545 1.00 0.00 H new ATOM 424 N PHE A 29 -2.183 -3.346 -3.551 1.00 0.00 N ATOM 425 CA PHE A 29 -1.582 -3.148 -2.230 1.00 0.00 C ATOM 426 C PHE A 29 -1.323 -4.458 -1.485 1.00 0.00 C ATOM 427 O PHE A 29 -0.172 -4.799 -1.221 1.00 0.00 O ATOM 428 CB PHE A 29 -2.440 -2.221 -1.375 1.00 0.00 C ATOM 429 CG PHE A 29 -1.623 -1.262 -0.556 1.00 0.00 C ATOM 430 CD1 PHE A 29 -0.753 -0.376 -1.174 1.00 0.00 C ATOM 431 CD2 PHE A 29 -1.718 -1.245 0.825 1.00 0.00 C ATOM 432 CE1 PHE A 29 0.004 0.507 -0.431 1.00 0.00 C ATOM 433 CE2 PHE A 29 -0.961 -0.364 1.573 1.00 0.00 C ATOM 434 CZ PHE A 29 -0.099 0.513 0.945 1.00 0.00 C ATOM 0 H PHE A 29 -2.876 -2.642 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.612 -2.684 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.113 -1.658 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.063 -2.820 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.667 -0.377 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.391 -1.928 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.676 1.192 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.044 -0.361 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.493 1.202 1.529 1.00 0.00 H new ATOM 444 N LYS A 30 -2.382 -5.183 -1.131 1.00 0.00 N ATOM 445 CA LYS A 30 -2.226 -6.442 -0.401 1.00 0.00 C ATOM 446 C LYS A 30 -1.270 -7.394 -1.114 1.00 0.00 C ATOM 447 O LYS A 30 -0.412 -8.009 -0.482 1.00 0.00 O ATOM 448 CB LYS A 30 -3.579 -7.123 -0.194 1.00 0.00 C ATOM 449 CG LYS A 30 -4.498 -6.364 0.749 1.00 0.00 C ATOM 450 CD LYS A 30 -5.754 -7.156 1.087 1.00 0.00 C ATOM 451 CE LYS A 30 -6.677 -7.318 -0.113 1.00 0.00 C ATOM 452 NZ LYS A 30 -6.070 -8.145 -1.193 1.00 0.00 N ATOM 0 H LYS A 30 -3.348 -4.925 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.799 -6.197 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.073 -7.235 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.416 -8.127 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.960 -6.129 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.780 -5.415 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.471 -8.140 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.292 -6.654 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.611 -7.778 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.927 -6.334 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.784 -7.530 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.236 -8.643 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.766 -8.840 -1.531 1.00 0.00 H new ATOM 466 N MET A 31 -1.421 -7.513 -2.428 1.00 0.00 N ATOM 467 CA MET A 31 -0.566 -8.395 -3.219 1.00 0.00 C ATOM 468 C MET A 31 0.909 -8.046 -3.030 1.00 0.00 C ATOM 469 O MET A 31 1.788 -8.876 -3.262 1.00 0.00 O ATOM 470 CB MET A 31 -0.940 -8.305 -4.701 1.00 0.00 C ATOM 471 CG MET A 31 -0.103 -9.205 -5.597 1.00 0.00 C ATOM 472 SD MET A 31 -0.214 -10.944 -5.133 1.00 0.00 S ATOM 473 CE MET A 31 -1.975 -11.225 -5.303 1.00 0.00 C ATOM 0 H MET A 31 -2.126 -7.012 -2.969 1.00 0.00 H new ATOM 0 HA MET A 31 -0.722 -9.416 -2.872 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.992 -8.567 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.830 -7.273 -5.033 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.429 -9.087 -6.630 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.939 -8.887 -5.553 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.168 -12.296 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.494 -10.814 -4.437 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.336 -10.736 -6.208 1.00 0.00 H new ATOM 483 N ILE A 32 1.170 -6.818 -2.598 1.00 0.00 N ATOM 484 CA ILE A 32 2.533 -6.359 -2.366 1.00 0.00 C ATOM 485 C ILE A 32 2.924 -6.571 -0.913 1.00 0.00 C ATOM 486 O ILE A 32 3.887 -7.274 -0.607 1.00 0.00 O ATOM 487 CB ILE A 32 2.694 -4.866 -2.722 1.00 0.00 C ATOM 488 CG1 ILE A 32 2.349 -4.627 -4.196 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.109 -4.392 -2.417 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.242 -5.377 -5.163 1.00 0.00 C ATOM 0 H ILE A 32 0.452 -6.120 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 32 3.188 -6.944 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 32 2.002 -4.288 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.314 -4.921 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.417 -3.560 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.203 -3.337 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.317 -4.526 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.822 -4.973 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.936 -5.157 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.277 -5.066 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.157 -6.448 -4.981 1.00 0.00 H new ATOM 502 N ASP A 33 2.156 -5.952 -0.025 1.00 0.00 N ATOM 503 CA ASP A 33 2.391 -6.054 1.404 1.00 0.00 C ATOM 504 C ASP A 33 2.359 -7.506 1.854 1.00 0.00 C ATOM 505 O ASP A 33 1.308 -8.140 1.849 1.00 0.00 O ATOM 506 CB ASP A 33 1.335 -5.249 2.165 1.00 0.00 C ATOM 507 CG ASP A 33 1.542 -5.295 3.664 1.00 0.00 C ATOM 508 OD1 ASP A 33 2.661 -4.981 4.117 1.00 0.00 O ATOM 509 OD2 ASP A 33 0.581 -5.634 4.385 1.00 0.00 O ATOM 0 H ASP A 33 1.358 -5.369 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 33 3.379 -5.648 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.361 -4.212 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.345 -5.637 1.926 1.00 0.00 H new ATOM 514 N THR A 34 3.515 -8.026 2.251 1.00 0.00 N ATOM 515 CA THR A 34 3.608 -9.404 2.713 1.00 0.00 C ATOM 516 C THR A 34 2.747 -9.600 3.957 1.00 0.00 C ATOM 517 O THR A 34 2.537 -10.725 4.415 1.00 0.00 O ATOM 518 CB THR A 34 5.066 -9.758 3.014 1.00 0.00 C ATOM 519 OG1 THR A 34 5.879 -9.531 1.877 1.00 0.00 O ATOM 520 CG2 THR A 34 5.264 -11.199 3.436 1.00 0.00 C ATOM 0 H THR A 34 4.398 -7.515 2.262 1.00 0.00 H new ATOM 0 HA THR A 34 3.242 -10.066 1.928 1.00 0.00 H new ATOM 0 HB THR A 34 5.352 -9.113 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.808 -9.761 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.321 -11.378 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.688 -11.396 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.926 -11.861 2.639 1.00 0.00 H new ATOM 528 N ASP A 35 2.255 -8.491 4.502 1.00 0.00 N ATOM 529 CA ASP A 35 1.424 -8.526 5.696 1.00 0.00 C ATOM 530 C ASP A 35 -0.059 -8.549 5.348 1.00 0.00 C ATOM 531 O ASP A 35 -0.878 -8.985 6.158 1.00 0.00 O ATOM 532 CB ASP A 35 1.734 -7.324 6.592 1.00 0.00 C ATOM 533 CG ASP A 35 1.092 -7.429 7.965 1.00 0.00 C ATOM 534 OD1 ASP A 35 0.457 -8.466 8.250 1.00 0.00 O ATOM 535 OD2 ASP A 35 1.234 -6.475 8.759 1.00 0.00 O ATOM 0 H ASP A 35 2.420 -7.555 4.132 1.00 0.00 H new ATOM 0 HA ASP A 35 1.656 -9.446 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.814 -7.232 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.387 -6.414 6.103 1.00 0.00 H new ATOM 540 N ASN A 36 -0.415 -8.072 4.153 1.00 0.00 N ATOM 541 CA ASN A 36 -1.816 -8.043 3.750 1.00 0.00 C ATOM 542 C ASN A 36 -2.646 -7.298 4.791 1.00 0.00 C ATOM 543 O ASN A 36 -3.873 -7.393 4.805 1.00 0.00 O ATOM 544 CB ASN A 36 -2.362 -9.465 3.581 1.00 0.00 C ATOM 545 CG ASN A 36 -1.704 -10.232 2.448 1.00 0.00 C ATOM 546 OD1 ASN A 36 -1.980 -11.414 2.246 1.00 0.00 O ATOM 547 ND2 ASN A 36 -0.838 -9.566 1.693 1.00 0.00 N ATOM 0 H ASN A 36 0.238 -7.707 3.460 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.884 -7.525 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.220 -10.014 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.436 -9.415 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.375 -10.034 0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.635 -8.586 1.892 1.00 0.00 H new ATOM 554 N SER A 37 -1.964 -6.559 5.667 1.00 0.00 N ATOM 555 CA SER A 37 -2.640 -5.803 6.712 1.00 0.00 C ATOM 556 C SER A 37 -3.174 -4.499 6.147 1.00 0.00 C ATOM 557 O SER A 37 -4.086 -3.888 6.705 1.00 0.00 O ATOM 558 CB SER A 37 -1.681 -5.520 7.871 1.00 0.00 C ATOM 559 OG SER A 37 -0.566 -4.760 7.438 1.00 0.00 O ATOM 0 H SER A 37 -0.948 -6.470 5.671 1.00 0.00 H new ATOM 0 HA SER A 37 -3.474 -6.395 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.207 -4.982 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.338 -6.461 8.301 1.00 0.00 H new ATOM 0 HG SER A 37 0.242 -5.074 7.895 1.00 0.00 H new ATOM 565 N GLY A 38 -2.591 -4.083 5.033 1.00 0.00 N ATOM 566 CA GLY A 38 -3.011 -2.850 4.392 1.00 0.00 C ATOM 567 C GLY A 38 -1.973 -1.757 4.523 1.00 0.00 C ATOM 568 O GLY A 38 -2.239 -0.596 4.211 1.00 0.00 O ATOM 0 H GLY A 38 -1.834 -4.576 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.206 -3.039 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.949 -2.513 4.834 1.00 0.00 H new ATOM 572 N THR A 39 -0.787 -2.137 4.984 1.00 0.00 N ATOM 573 CA THR A 39 0.318 -1.200 5.159 1.00 0.00 C ATOM 574 C THR A 39 1.649 -1.925 5.001 1.00 0.00 C ATOM 575 O THR A 39 1.841 -3.008 5.551 1.00 0.00 O ATOM 576 CB THR A 39 0.254 -0.534 6.536 1.00 0.00 C ATOM 577 OG1 THR A 39 0.236 -1.508 7.564 1.00 0.00 O ATOM 578 CG2 THR A 39 -0.954 0.358 6.726 1.00 0.00 C ATOM 0 H THR A 39 -0.564 -3.097 5.246 1.00 0.00 H new ATOM 0 HA THR A 39 0.234 -0.428 4.395 1.00 0.00 H new ATOM 0 HB THR A 39 1.148 0.086 6.592 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.197 -1.063 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.931 0.794 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.939 1.154 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.863 -0.231 6.609 1.00 0.00 H new ATOM 586 N ILE A 40 2.565 -1.328 4.247 1.00 0.00 N ATOM 587 CA ILE A 40 3.872 -1.928 4.019 1.00 0.00 C ATOM 588 C ILE A 40 4.945 -1.237 4.857 1.00 0.00 C ATOM 589 O ILE A 40 4.852 -0.043 5.137 1.00 0.00 O ATOM 590 CB ILE A 40 4.267 -1.835 2.529 1.00 0.00 C ATOM 591 CG1 ILE A 40 3.374 -2.733 1.685 1.00 0.00 C ATOM 592 CG2 ILE A 40 5.730 -2.206 2.326 1.00 0.00 C ATOM 593 CD1 ILE A 40 3.443 -2.431 0.205 1.00 0.00 C ATOM 0 H ILE A 40 2.426 -0.430 3.784 1.00 0.00 H new ATOM 0 HA ILE A 40 3.803 -2.975 4.313 1.00 0.00 H new ATOM 0 HB ILE A 40 4.131 -0.802 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.658 -3.772 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.343 -2.627 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.981 -2.132 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.361 -1.525 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.897 -3.227 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.782 -3.108 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.131 -1.402 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.466 -2.565 -0.146 1.00 0.00 H new ATOM 605 N THR A 41 5.965 -1.997 5.244 1.00 0.00 N ATOM 606 CA THR A 41 7.063 -1.461 6.039 1.00 0.00 C ATOM 607 C THR A 41 8.397 -1.968 5.505 1.00 0.00 C ATOM 608 O THR A 41 8.500 -3.117 5.095 1.00 0.00 O ATOM 609 CB THR A 41 6.901 -1.858 7.508 1.00 0.00 C ATOM 610 OG1 THR A 41 6.914 -3.267 7.651 1.00 0.00 O ATOM 611 CG2 THR A 41 5.620 -1.345 8.131 1.00 0.00 C ATOM 0 H THR A 41 6.053 -2.988 5.019 1.00 0.00 H new ATOM 0 HA THR A 41 7.044 -0.374 5.966 1.00 0.00 H new ATOM 0 HB THR A 41 7.745 -1.400 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.811 -3.501 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.569 -1.663 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.602 -0.256 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.765 -1.746 7.587 1.00 0.00 H new ATOM 619 N PHE A 42 9.406 -1.101 5.508 1.00 0.00 N ATOM 620 CA PHE A 42 10.738 -1.441 5.025 1.00 0.00 C ATOM 621 C PHE A 42 11.142 -2.866 5.405 1.00 0.00 C ATOM 622 O PHE A 42 11.828 -3.548 4.643 1.00 0.00 O ATOM 623 CB PHE A 42 11.753 -0.446 5.587 1.00 0.00 C ATOM 624 CG PHE A 42 13.169 -0.790 5.250 1.00 0.00 C ATOM 625 CD1 PHE A 42 13.542 -1.029 3.939 1.00 0.00 C ATOM 626 CD2 PHE A 42 14.123 -0.889 6.245 1.00 0.00 C ATOM 627 CE1 PHE A 42 14.842 -1.361 3.628 1.00 0.00 C ATOM 628 CE2 PHE A 42 15.426 -1.218 5.941 1.00 0.00 C ATOM 629 CZ PHE A 42 15.790 -1.455 4.629 1.00 0.00 C ATOM 0 H PHE A 42 9.321 -0.142 5.846 1.00 0.00 H new ATOM 0 HA PHE A 42 10.722 -1.386 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.527 0.549 5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.646 -0.401 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.806 -0.954 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 42 13.844 -0.706 7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 42 15.121 -1.548 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 42 16.162 -1.291 6.728 1.00 0.00 H new ATOM 0 HZ PHE A 42 16.811 -1.712 4.387 1.00 0.00 H new ATOM 639 N ASP A 43 10.712 -3.309 6.581 1.00 0.00 N ATOM 640 CA ASP A 43 11.031 -4.654 7.053 1.00 0.00 C ATOM 641 C ASP A 43 10.519 -5.699 6.068 1.00 0.00 C ATOM 642 O ASP A 43 11.258 -6.590 5.647 1.00 0.00 O ATOM 643 CB ASP A 43 10.419 -4.893 8.434 1.00 0.00 C ATOM 644 CG ASP A 43 10.743 -6.270 8.978 1.00 0.00 C ATOM 645 OD1 ASP A 43 11.942 -6.575 9.147 1.00 0.00 O ATOM 646 OD2 ASP A 43 9.796 -7.044 9.235 1.00 0.00 O ATOM 0 H ASP A 43 10.143 -2.759 7.225 1.00 0.00 H new ATOM 0 HA ASP A 43 12.115 -4.744 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.786 -4.136 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.337 -4.774 8.375 1.00 0.00 H new ATOM 651 N GLU A 44 9.252 -5.569 5.698 1.00 0.00 N ATOM 652 CA GLU A 44 8.622 -6.482 4.753 1.00 0.00 C ATOM 653 C GLU A 44 8.859 -6.019 3.319 1.00 0.00 C ATOM 654 O GLU A 44 8.693 -6.786 2.370 1.00 0.00 O ATOM 655 CB GLU A 44 7.123 -6.575 5.041 1.00 0.00 C ATOM 656 CG GLU A 44 6.469 -5.230 5.297 1.00 0.00 C ATOM 657 CD GLU A 44 5.016 -5.355 5.709 1.00 0.00 C ATOM 658 OE1 GLU A 44 4.512 -6.495 5.771 1.00 0.00 O ATOM 659 OE2 GLU A 44 4.383 -4.311 5.971 1.00 0.00 O ATOM 0 H GLU A 44 8.635 -4.833 6.042 1.00 0.00 H new ATOM 0 HA GLU A 44 9.068 -7.470 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.628 -7.055 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.967 -7.216 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.020 -4.706 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.536 -4.621 4.396 1.00 0.00 H new ATOM 666 N LEU A 45 9.248 -4.756 3.174 1.00 0.00 N ATOM 667 CA LEU A 45 9.510 -4.173 1.866 1.00 0.00 C ATOM 668 C LEU A 45 10.618 -4.936 1.143 1.00 0.00 C ATOM 669 O LEU A 45 10.404 -5.496 0.068 1.00 0.00 O ATOM 670 CB LEU A 45 9.910 -2.704 2.006 1.00 0.00 C ATOM 671 CG LEU A 45 9.937 -1.920 0.695 1.00 0.00 C ATOM 672 CD1 LEU A 45 8.525 -1.716 0.175 1.00 0.00 C ATOM 673 CD2 LEU A 45 10.639 -0.586 0.884 1.00 0.00 C ATOM 0 H LEU A 45 9.389 -4.114 3.954 1.00 0.00 H new ATOM 0 HA LEU A 45 8.594 -4.242 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.216 -2.217 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.898 -2.653 2.464 1.00 0.00 H new ATOM 0 HG LEU A 45 10.496 -2.495 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.559 -1.156 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.058 -2.685 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.943 -1.160 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.648 -0.043 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.110 0.000 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.664 -0.758 1.214 1.00 0.00 H new ATOM 685 N LYS A 46 11.806 -4.943 1.746 1.00 0.00 N ATOM 686 CA LYS A 46 12.962 -5.623 1.176 1.00 0.00 C ATOM 687 C LYS A 46 12.678 -7.100 0.942 1.00 0.00 C ATOM 688 O LYS A 46 13.091 -7.657 -0.067 1.00 0.00 O ATOM 689 CB LYS A 46 14.174 -5.464 2.097 1.00 0.00 C ATOM 690 CG LYS A 46 13.918 -5.916 3.525 1.00 0.00 C ATOM 691 CD LYS A 46 15.148 -5.728 4.399 1.00 0.00 C ATOM 692 CE LYS A 46 14.875 -6.128 5.841 1.00 0.00 C ATOM 693 NZ LYS A 46 14.494 -7.562 5.957 1.00 0.00 N ATOM 0 H LYS A 46 11.991 -4.481 2.636 1.00 0.00 H new ATOM 0 HA LYS A 46 13.178 -5.163 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.008 -6.035 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.478 -4.417 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.084 -5.351 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.625 -6.966 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.970 -6.325 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.465 -4.686 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.763 -5.938 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.076 -5.506 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.498 -7.842 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.542 -7.701 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.175 -8.146 5.431 1.00 0.00 H new ATOM 707 N ASP A 47 11.974 -7.726 1.882 1.00 0.00 N ATOM 708 CA ASP A 47 11.635 -9.146 1.784 1.00 0.00 C ATOM 709 C ASP A 47 10.995 -9.474 0.434 1.00 0.00 C ATOM 710 O ASP A 47 10.918 -10.637 0.038 1.00 0.00 O ATOM 711 CB ASP A 47 10.688 -9.537 2.921 1.00 0.00 C ATOM 712 CG ASP A 47 10.476 -11.037 3.023 1.00 0.00 C ATOM 713 OD1 ASP A 47 11.140 -11.786 2.276 1.00 0.00 O ATOM 714 OD2 ASP A 47 9.653 -11.462 3.860 1.00 0.00 O ATOM 0 H ASP A 47 11.625 -7.270 2.725 1.00 0.00 H new ATOM 0 HA ASP A 47 12.558 -9.720 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.089 -9.167 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.725 -9.048 2.770 1.00 0.00 H new ATOM 719 N GLY A 48 10.543 -8.442 -0.269 1.00 0.00 N ATOM 720 CA GLY A 48 9.922 -8.643 -1.566 1.00 0.00 C ATOM 721 C GLY A 48 10.943 -8.948 -2.640 1.00 0.00 C ATOM 722 O GLY A 48 10.850 -9.967 -3.325 1.00 0.00 O ATOM 0 H GLY A 48 10.595 -7.470 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.206 -9.463 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.361 -7.750 -1.842 1.00 0.00 H new ATOM 726 N LEU A 49 11.927 -8.067 -2.777 1.00 0.00 N ATOM 727 CA LEU A 49 12.983 -8.246 -3.764 1.00 0.00 C ATOM 728 C LEU A 49 14.110 -9.087 -3.178 1.00 0.00 C ATOM 729 O LEU A 49 14.989 -9.556 -3.900 1.00 0.00 O ATOM 730 CB LEU A 49 13.531 -6.890 -4.228 1.00 0.00 C ATOM 731 CG LEU A 49 12.546 -6.001 -4.999 1.00 0.00 C ATOM 732 CD1 LEU A 49 11.986 -6.737 -6.208 1.00 0.00 C ATOM 733 CD2 LEU A 49 11.421 -5.523 -4.093 1.00 0.00 C ATOM 0 H LEU A 49 12.015 -7.220 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 49 12.561 -8.762 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.879 -6.341 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.402 -7.068 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 49 13.090 -5.126 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.290 -6.088 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.802 -7.016 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.464 -7.635 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.737 -4.895 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.881 -6.384 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.839 -4.947 -3.267 1.00 0.00 H new ATOM 745 N LYS A 50 14.079 -9.269 -1.861 1.00 0.00 N ATOM 746 CA LYS A 50 15.097 -10.049 -1.175 1.00 0.00 C ATOM 747 C LYS A 50 14.852 -11.541 -1.357 1.00 0.00 C ATOM 748 O LYS A 50 15.784 -12.308 -1.602 1.00 0.00 O ATOM 749 CB LYS A 50 15.123 -9.707 0.313 1.00 0.00 C ATOM 750 CG LYS A 50 16.284 -10.344 1.060 1.00 0.00 C ATOM 751 CD LYS A 50 16.297 -9.937 2.524 1.00 0.00 C ATOM 752 CE LYS A 50 17.474 -10.554 3.261 1.00 0.00 C ATOM 753 NZ LYS A 50 17.511 -10.142 4.691 1.00 0.00 N ATOM 0 H LYS A 50 13.358 -8.885 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 50 16.063 -9.798 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.177 -8.624 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.187 -10.030 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.215 -11.429 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.224 -10.051 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.347 -8.851 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.366 -10.248 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.413 -11.640 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.403 -10.258 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.328 -10.584 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.595 -9.107 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.636 -10.447 5.163 1.00 0.00 H new ATOM 767 N ARG A 51 13.590 -11.944 -1.231 1.00 0.00 N ATOM 768 CA ARG A 51 13.211 -13.347 -1.378 1.00 0.00 C ATOM 769 C ARG A 51 13.791 -13.944 -2.658 1.00 0.00 C ATOM 770 O ARG A 51 14.166 -15.116 -2.690 1.00 0.00 O ATOM 771 CB ARG A 51 11.686 -13.489 -1.379 1.00 0.00 C ATOM 772 CG ARG A 51 11.206 -14.923 -1.553 1.00 0.00 C ATOM 773 CD ARG A 51 11.653 -15.809 -0.400 1.00 0.00 C ATOM 774 NE ARG A 51 11.041 -15.414 0.866 1.00 0.00 N ATOM 775 CZ ARG A 51 9.736 -15.500 1.116 1.00 0.00 C ATOM 776 NH1 ARG A 51 8.911 -15.993 0.202 1.00 0.00 N ATOM 777 NH2 ARG A 51 9.256 -15.100 2.286 1.00 0.00 N ATOM 0 H ARG A 51 12.811 -11.318 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 51 13.621 -13.895 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.292 -13.094 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.273 -12.877 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.118 -14.937 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.590 -15.324 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.395 -16.845 -0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.738 -15.763 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 51 11.648 -15.051 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.275 -16.308 -0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.912 -16.057 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.887 -14.726 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.256 -15.166 2.477 1.00 0.00 H new ATOM 791 N VAL A 52 13.864 -13.133 -3.710 1.00 0.00 N ATOM 792 CA VAL A 52 14.402 -13.592 -4.986 1.00 0.00 C ATOM 793 C VAL A 52 15.917 -13.412 -5.044 1.00 0.00 C ATOM 794 O VAL A 52 16.615 -14.182 -5.704 1.00 0.00 O ATOM 795 CB VAL A 52 13.751 -12.860 -6.178 1.00 0.00 C ATOM 796 CG1 VAL A 52 12.252 -13.119 -6.208 1.00 0.00 C ATOM 797 CG2 VAL A 52 14.036 -11.366 -6.121 1.00 0.00 C ATOM 0 H VAL A 52 13.559 -12.160 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 52 14.166 -14.654 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 52 14.188 -13.252 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.809 -12.595 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.070 -14.189 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.802 -12.759 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.566 -10.873 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.634 -10.954 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.113 -11.199 -6.154 1.00 0.00 H new ATOM 807 N GLY A 53 16.419 -12.399 -4.339 1.00 0.00 N ATOM 808 CA GLY A 53 17.850 -12.142 -4.314 1.00 0.00 C ATOM 809 C GLY A 53 18.470 -12.119 -5.698 1.00 0.00 C ATOM 810 O GLY A 53 19.490 -12.767 -5.936 1.00 0.00 O ATOM 0 H GLY A 53 15.859 -11.751 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.034 -11.186 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.341 -12.908 -3.714 1.00 0.00 H new ATOM 814 N SER A 54 17.855 -11.378 -6.615 1.00 0.00 N ATOM 815 CA SER A 54 18.362 -11.286 -7.980 1.00 0.00 C ATOM 816 C SER A 54 19.416 -10.187 -8.095 1.00 0.00 C ATOM 817 O SER A 54 20.591 -10.410 -7.803 1.00 0.00 O ATOM 818 CB SER A 54 17.215 -11.027 -8.960 1.00 0.00 C ATOM 819 OG SER A 54 17.691 -10.962 -10.293 1.00 0.00 O ATOM 0 H SER A 54 17.009 -10.835 -6.439 1.00 0.00 H new ATOM 0 HA SER A 54 18.830 -12.237 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.472 -11.820 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.716 -10.093 -8.702 1.00 0.00 H new ATOM 0 HG SER A 54 16.940 -10.798 -10.901 1.00 0.00 H new ATOM 825 N GLU A 55 18.989 -9.001 -8.518 1.00 0.00 N ATOM 826 CA GLU A 55 19.896 -7.869 -8.665 1.00 0.00 C ATOM 827 C GLU A 55 19.259 -6.605 -8.097 1.00 0.00 C ATOM 828 O GLU A 55 18.943 -5.667 -8.831 1.00 0.00 O ATOM 829 CB GLU A 55 20.260 -7.668 -10.138 1.00 0.00 C ATOM 830 CG GLU A 55 21.299 -6.583 -10.367 1.00 0.00 C ATOM 831 CD GLU A 55 21.655 -6.419 -11.831 1.00 0.00 C ATOM 832 OE1 GLU A 55 20.747 -6.111 -12.632 1.00 0.00 O ATOM 833 OE2 GLU A 55 22.841 -6.598 -12.177 1.00 0.00 O ATOM 0 H GLU A 55 18.020 -8.799 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 55 20.809 -8.078 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.634 -8.608 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.357 -7.418 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.922 -5.636 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.200 -6.822 -9.802 1.00 0.00 H new ATOM 840 N LEU A 56 19.065 -6.594 -6.783 1.00 0.00 N ATOM 841 CA LEU A 56 18.457 -5.458 -6.106 1.00 0.00 C ATOM 842 C LEU A 56 19.488 -4.655 -5.324 1.00 0.00 C ATOM 843 O LEU A 56 20.665 -5.013 -5.268 1.00 0.00 O ATOM 844 CB LEU A 56 17.333 -5.916 -5.162 1.00 0.00 C ATOM 845 CG LEU A 56 17.558 -7.242 -4.415 1.00 0.00 C ATOM 846 CD1 LEU A 56 17.449 -8.429 -5.362 1.00 0.00 C ATOM 847 CD2 LEU A 56 18.906 -7.250 -3.706 1.00 0.00 C ATOM 0 H LEU A 56 19.322 -7.363 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 56 18.033 -4.816 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.169 -5.132 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.415 -6.004 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 56 16.775 -7.332 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.612 -9.353 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.456 -8.446 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.201 -8.339 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.038 -8.199 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.703 -7.123 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.943 -6.433 -2.985 1.00 0.00 H new ATOM 859 N MET A 57 19.025 -3.570 -4.713 1.00 0.00 N ATOM 860 CA MET A 57 19.887 -2.708 -3.919 1.00 0.00 C ATOM 861 C MET A 57 19.318 -2.542 -2.518 1.00 0.00 C ATOM 862 O MET A 57 18.315 -1.854 -2.329 1.00 0.00 O ATOM 863 CB MET A 57 20.025 -1.333 -4.577 1.00 0.00 C ATOM 864 CG MET A 57 20.567 -1.383 -5.994 1.00 0.00 C ATOM 865 SD MET A 57 20.677 0.251 -6.752 1.00 0.00 S ATOM 866 CE MET A 57 21.737 1.103 -5.585 1.00 0.00 C ATOM 0 H MET A 57 18.052 -3.267 -4.754 1.00 0.00 H new ATOM 0 HA MET A 57 20.871 -3.174 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 57 19.050 -0.846 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 57 20.683 -0.714 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 57 21.555 -1.843 -5.985 1.00 0.00 H new ATOM 0 HG3 MET A 57 19.925 -2.019 -6.603 1.00 0.00 H new ATOM 0 HE1 MET A 57 22.183 1.973 -6.067 1.00 0.00 H new ATOM 0 HE2 MET A 57 21.148 1.425 -4.726 1.00 0.00 H new ATOM 0 HE3 MET A 57 22.526 0.429 -5.251 1.00 0.00 H new ATOM 876 N GLU A 58 19.964 -3.163 -1.536 1.00 0.00 N ATOM 877 CA GLU A 58 19.516 -3.065 -0.151 1.00 0.00 C ATOM 878 C GLU A 58 19.444 -1.601 0.271 1.00 0.00 C ATOM 879 O GLU A 58 18.837 -1.260 1.286 1.00 0.00 O ATOM 880 CB GLU A 58 20.464 -3.837 0.771 1.00 0.00 C ATOM 881 CG GLU A 58 20.036 -3.838 2.230 1.00 0.00 C ATOM 882 CD GLU A 58 20.995 -4.605 3.120 1.00 0.00 C ATOM 883 OE1 GLU A 58 22.000 -5.132 2.597 1.00 0.00 O ATOM 884 OE2 GLU A 58 20.742 -4.678 4.341 1.00 0.00 O ATOM 0 H GLU A 58 20.796 -3.737 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 58 18.522 -3.504 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.536 -4.867 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 58 21.462 -3.405 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.962 -2.810 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.041 -4.276 2.312 1.00 0.00 H new ATOM 891 N SER A 59 20.065 -0.741 -0.530 1.00 0.00 N ATOM 892 CA SER A 59 20.078 0.693 -0.266 1.00 0.00 C ATOM 893 C SER A 59 18.857 1.370 -0.882 1.00 0.00 C ATOM 894 O SER A 59 18.248 2.248 -0.271 1.00 0.00 O ATOM 895 CB SER A 59 21.358 1.324 -0.816 1.00 0.00 C ATOM 896 OG SER A 59 21.395 2.716 -0.554 1.00 0.00 O ATOM 0 H SER A 59 20.569 -1.015 -1.373 1.00 0.00 H new ATOM 0 HA SER A 59 20.046 0.838 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.226 0.843 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 59 21.419 1.151 -1.891 1.00 0.00 H new ATOM 0 HG SER A 59 22.224 3.095 -0.915 1.00 0.00 H new ATOM 902 N GLU A 60 18.506 0.954 -2.097 1.00 0.00 N ATOM 903 CA GLU A 60 17.361 1.514 -2.801 1.00 0.00 C ATOM 904 C GLU A 60 16.066 1.137 -2.099 1.00 0.00 C ATOM 905 O GLU A 60 15.114 1.912 -2.081 1.00 0.00 O ATOM 906 CB GLU A 60 17.335 1.021 -4.249 1.00 0.00 C ATOM 907 CG GLU A 60 16.162 1.557 -5.055 1.00 0.00 C ATOM 908 CD GLU A 60 16.156 1.050 -6.484 1.00 0.00 C ATOM 909 OE1 GLU A 60 16.091 -0.183 -6.677 1.00 0.00 O ATOM 910 OE2 GLU A 60 16.214 1.885 -7.411 1.00 0.00 O ATOM 0 H GLU A 60 19.002 0.228 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 60 17.455 2.600 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.264 1.311 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.299 -0.068 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.230 1.270 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.197 2.646 -5.060 1.00 0.00 H new ATOM 917 N ILE A 61 16.039 -0.059 -1.521 1.00 0.00 N ATOM 918 CA ILE A 61 14.857 -0.539 -0.814 1.00 0.00 C ATOM 919 C ILE A 61 14.398 0.474 0.232 1.00 0.00 C ATOM 920 O ILE A 61 13.228 0.857 0.266 1.00 0.00 O ATOM 921 CB ILE A 61 15.122 -1.889 -0.122 1.00 0.00 C ATOM 922 CG1 ILE A 61 15.660 -2.909 -1.130 1.00 0.00 C ATOM 923 CG2 ILE A 61 13.846 -2.402 0.529 1.00 0.00 C ATOM 924 CD1 ILE A 61 16.071 -4.226 -0.504 1.00 0.00 C ATOM 0 H ILE A 61 16.821 -0.713 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 61 14.074 -0.672 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 61 15.874 -1.745 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 14.896 -3.098 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.518 -2.479 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 14.044 -3.357 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 61 13.501 -1.682 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 61 13.077 -2.535 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 61 16.441 -4.897 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.857 -4.050 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 61 15.210 -4.679 -0.012 1.00 0.00 H new ATOM 936 N LYS A 62 15.325 0.905 1.085 1.00 0.00 N ATOM 937 CA LYS A 62 15.007 1.872 2.131 1.00 0.00 C ATOM 938 C LYS A 62 14.962 3.291 1.566 1.00 0.00 C ATOM 939 O LYS A 62 14.166 4.118 2.011 1.00 0.00 O ATOM 940 CB LYS A 62 16.021 1.771 3.277 1.00 0.00 C ATOM 941 CG LYS A 62 17.452 2.091 2.877 1.00 0.00 C ATOM 942 CD LYS A 62 17.754 3.574 3.017 1.00 0.00 C ATOM 943 CE LYS A 62 17.712 4.021 4.470 1.00 0.00 C ATOM 944 NZ LYS A 62 18.059 5.461 4.618 1.00 0.00 N ATOM 0 H LYS A 62 16.298 0.601 1.072 1.00 0.00 H new ATOM 0 HA LYS A 62 14.018 1.639 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.719 2.450 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.988 0.762 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.141 1.519 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.620 1.781 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.738 3.786 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.031 4.149 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.716 3.844 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.406 3.418 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.019 5.726 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.019 5.626 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.381 6.038 4.080 1.00 0.00 H new ATOM 958 N ASP A 63 15.808 3.562 0.573 1.00 0.00 N ATOM 959 CA ASP A 63 15.846 4.876 -0.064 1.00 0.00 C ATOM 960 C ASP A 63 14.567 5.118 -0.855 1.00 0.00 C ATOM 961 O ASP A 63 14.240 6.253 -1.202 1.00 0.00 O ATOM 962 CB ASP A 63 17.056 4.992 -0.998 1.00 0.00 C ATOM 963 CG ASP A 63 18.356 5.233 -0.255 1.00 0.00 C ATOM 964 OD1 ASP A 63 18.308 5.482 0.966 1.00 0.00 O ATOM 965 OD2 ASP A 63 19.424 5.194 -0.903 1.00 0.00 O ATOM 0 H ASP A 63 16.475 2.890 0.193 1.00 0.00 H new ATOM 0 HA ASP A 63 15.932 5.629 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.144 4.078 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.889 5.808 -1.701 1.00 0.00 H new ATOM 970 N LEU A 64 13.853 4.036 -1.141 1.00 0.00 N ATOM 971 CA LEU A 64 12.612 4.111 -1.898 1.00 0.00 C ATOM 972 C LEU A 64 11.438 4.411 -0.969 1.00 0.00 C ATOM 973 O LEU A 64 10.683 5.357 -1.195 1.00 0.00 O ATOM 974 CB LEU A 64 12.382 2.792 -2.648 1.00 0.00 C ATOM 975 CG LEU A 64 11.435 2.865 -3.856 1.00 0.00 C ATOM 976 CD1 LEU A 64 10.021 3.233 -3.428 1.00 0.00 C ATOM 977 CD2 LEU A 64 11.959 3.860 -4.882 1.00 0.00 C ATOM 0 H LEU A 64 14.115 3.092 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 64 12.687 4.921 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.347 2.417 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.986 2.060 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 64 11.398 1.877 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.375 3.277 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.643 2.481 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.031 4.206 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.277 3.900 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.030 4.848 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.945 3.545 -5.223 1.00 0.00 H new ATOM 989 N MET A 65 11.289 3.601 0.077 1.00 0.00 N ATOM 990 CA MET A 65 10.204 3.786 1.036 1.00 0.00 C ATOM 991 C MET A 65 10.379 5.079 1.826 1.00 0.00 C ATOM 992 O MET A 65 9.404 5.656 2.311 1.00 0.00 O ATOM 993 CB MET A 65 10.120 2.583 1.983 1.00 0.00 C ATOM 994 CG MET A 65 11.412 2.282 2.732 1.00 0.00 C ATOM 995 SD MET A 65 11.743 3.444 4.072 1.00 0.00 S ATOM 996 CE MET A 65 10.312 3.173 5.116 1.00 0.00 C ATOM 0 H MET A 65 11.904 2.813 0.281 1.00 0.00 H new ATOM 0 HA MET A 65 9.270 3.860 0.479 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.327 2.762 2.709 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.834 1.702 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.362 1.272 3.139 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.245 2.301 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.608 3.239 6.163 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.558 3.931 4.903 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.899 2.184 4.918 1.00 0.00 H new ATOM 1006 N ASP A 66 11.624 5.530 1.955 1.00 0.00 N ATOM 1007 CA ASP A 66 11.918 6.756 2.691 1.00 0.00 C ATOM 1008 C ASP A 66 11.261 7.966 2.029 1.00 0.00 C ATOM 1009 O ASP A 66 10.811 8.888 2.710 1.00 0.00 O ATOM 1010 CB ASP A 66 13.431 6.967 2.788 1.00 0.00 C ATOM 1011 CG ASP A 66 13.799 8.183 3.617 1.00 0.00 C ATOM 1012 OD1 ASP A 66 13.437 9.310 3.216 1.00 0.00 O ATOM 1013 OD2 ASP A 66 14.449 8.009 4.669 1.00 0.00 O ATOM 0 H ASP A 66 12.443 5.067 1.561 1.00 0.00 H new ATOM 0 HA ASP A 66 11.508 6.653 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.890 6.081 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.844 7.077 1.785 1.00 0.00 H new ATOM 1018 N ALA A 67 11.212 7.960 0.700 1.00 0.00 N ATOM 1019 CA ALA A 67 10.613 9.061 -0.047 1.00 0.00 C ATOM 1020 C ALA A 67 9.138 8.799 -0.339 1.00 0.00 C ATOM 1021 O ALA A 67 8.346 9.733 -0.464 1.00 0.00 O ATOM 1022 CB ALA A 67 11.374 9.293 -1.343 1.00 0.00 C ATOM 0 H ALA A 67 11.579 7.206 0.119 1.00 0.00 H new ATOM 0 HA ALA A 67 10.677 9.958 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.917 10.117 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.411 9.539 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.340 8.389 -1.952 1.00 0.00 H new ATOM 1028 N ALA A 68 8.776 7.525 -0.447 1.00 0.00 N ATOM 1029 CA ALA A 68 7.395 7.143 -0.726 1.00 0.00 C ATOM 1030 C ALA A 68 6.516 7.320 0.507 1.00 0.00 C ATOM 1031 O ALA A 68 5.300 7.138 0.447 1.00 0.00 O ATOM 1032 CB ALA A 68 7.336 5.704 -1.214 1.00 0.00 C ATOM 0 H ALA A 68 9.419 6.739 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 68 7.014 7.799 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.301 5.431 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.924 5.605 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.741 5.043 -0.448 1.00 0.00 H new ATOM 1038 N ASP A 69 7.141 7.679 1.623 1.00 0.00 N ATOM 1039 CA ASP A 69 6.429 7.887 2.875 1.00 0.00 C ATOM 1040 C ASP A 69 6.750 9.260 3.451 1.00 0.00 C ATOM 1041 O ASP A 69 7.829 9.484 4.000 1.00 0.00 O ATOM 1042 CB ASP A 69 6.776 6.774 3.868 1.00 0.00 C ATOM 1043 CG ASP A 69 6.418 7.117 5.305 1.00 0.00 C ATOM 1044 OD1 ASP A 69 7.042 8.035 5.875 1.00 0.00 O ATOM 1045 OD2 ASP A 69 5.515 6.465 5.863 1.00 0.00 O ATOM 0 H ASP A 69 8.148 7.833 1.684 1.00 0.00 H new ATOM 0 HA ASP A 69 5.357 7.850 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.253 5.862 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.844 6.562 3.807 1.00 0.00 H new ATOM 1050 N ILE A 70 5.805 10.177 3.303 1.00 0.00 N ATOM 1051 CA ILE A 70 5.968 11.538 3.790 1.00 0.00 C ATOM 1052 C ILE A 70 5.615 11.651 5.275 1.00 0.00 C ATOM 1053 O ILE A 70 6.096 12.548 5.967 1.00 0.00 O ATOM 1054 CB ILE A 70 5.099 12.513 2.971 1.00 0.00 C ATOM 1055 CG1 ILE A 70 5.563 12.535 1.511 1.00 0.00 C ATOM 1056 CG2 ILE A 70 5.138 13.915 3.567 1.00 0.00 C ATOM 1057 CD1 ILE A 70 4.711 13.407 0.612 1.00 0.00 C ATOM 0 H ILE A 70 4.911 10.000 2.846 1.00 0.00 H new ATOM 0 HA ILE A 70 7.018 11.804 3.669 1.00 0.00 H new ATOM 0 HB ILE A 70 4.067 12.164 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.594 12.887 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.559 11.516 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.516 14.582 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.761 13.886 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.165 14.281 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.101 13.372 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.684 13.043 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.734 14.435 0.974 1.00 0.00 H new ATOM 1069 N ASP A 71 4.770 10.741 5.763 1.00 0.00 N ATOM 1070 CA ASP A 71 4.358 10.760 7.168 1.00 0.00 C ATOM 1071 C ASP A 71 5.494 10.336 8.096 1.00 0.00 C ATOM 1072 O ASP A 71 5.286 10.184 9.300 1.00 0.00 O ATOM 1073 CB ASP A 71 3.151 9.845 7.389 1.00 0.00 C ATOM 1074 CG ASP A 71 1.961 10.230 6.535 1.00 0.00 C ATOM 1075 OD1 ASP A 71 1.513 11.393 6.628 1.00 0.00 O ATOM 1076 OD2 ASP A 71 1.472 9.366 5.779 1.00 0.00 O ATOM 0 H ASP A 71 4.360 9.987 5.211 1.00 0.00 H new ATOM 0 HA ASP A 71 4.084 11.787 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.435 8.816 7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.864 9.877 8.440 1.00 0.00 H new ATOM 1081 N LYS A 72 6.690 10.154 7.528 1.00 0.00 N ATOM 1082 CA LYS A 72 7.875 9.746 8.288 1.00 0.00 C ATOM 1083 C LYS A 72 7.509 8.838 9.462 1.00 0.00 C ATOM 1084 O LYS A 72 8.026 8.995 10.568 1.00 0.00 O ATOM 1085 CB LYS A 72 8.660 10.968 8.788 1.00 0.00 C ATOM 1086 CG LYS A 72 7.856 11.927 9.655 1.00 0.00 C ATOM 1087 CD LYS A 72 7.039 12.900 8.819 1.00 0.00 C ATOM 1088 CE LYS A 72 6.174 13.795 9.691 1.00 0.00 C ATOM 1089 NZ LYS A 72 5.360 14.742 8.881 1.00 0.00 N ATOM 0 H LYS A 72 6.864 10.285 6.531 1.00 0.00 H new ATOM 0 HA LYS A 72 8.510 9.178 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.523 10.621 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.045 11.514 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.190 11.358 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.532 12.484 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.708 13.514 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.407 12.344 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.513 13.179 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.809 14.357 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.785 15.334 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.990 15.348 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.735 14.207 8.245 1.00 0.00 H new ATOM 1103 N SER A 73 6.612 7.888 9.210 1.00 0.00 N ATOM 1104 CA SER A 73 6.174 6.955 10.242 1.00 0.00 C ATOM 1105 C SER A 73 6.808 5.584 10.038 1.00 0.00 C ATOM 1106 O SER A 73 6.611 4.673 10.843 1.00 0.00 O ATOM 1107 CB SER A 73 4.648 6.830 10.232 1.00 0.00 C ATOM 1108 OG SER A 73 4.183 6.353 8.981 1.00 0.00 O ATOM 0 H SER A 73 6.175 7.745 8.300 1.00 0.00 H new ATOM 0 HA SER A 73 6.494 7.344 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.330 6.152 11.024 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.199 7.800 10.444 1.00 0.00 H new ATOM 0 HG SER A 73 3.900 5.419 9.072 1.00 0.00 H new ATOM 1114 N GLY A 74 7.569 5.446 8.958 1.00 0.00 N ATOM 1115 CA GLY A 74 8.221 4.184 8.667 1.00 0.00 C ATOM 1116 C GLY A 74 7.302 3.201 7.968 1.00 0.00 C ATOM 1117 O GLY A 74 7.705 2.079 7.660 1.00 0.00 O ATOM 0 H GLY A 74 7.746 6.186 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.095 4.366 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.580 3.742 9.596 1.00 0.00 H new ATOM 1121 N THR A 75 6.067 3.621 7.711 1.00 0.00 N ATOM 1122 CA THR A 75 5.097 2.764 7.037 1.00 0.00 C ATOM 1123 C THR A 75 4.535 3.457 5.802 1.00 0.00 C ATOM 1124 O THR A 75 4.028 4.574 5.885 1.00 0.00 O ATOM 1125 CB THR A 75 3.958 2.408 7.995 1.00 0.00 C ATOM 1126 OG1 THR A 75 3.265 3.573 8.406 1.00 0.00 O ATOM 1127 CG2 THR A 75 4.429 1.695 9.243 1.00 0.00 C ATOM 0 H THR A 75 5.715 4.546 7.958 1.00 0.00 H new ATOM 0 HA THR A 75 5.603 1.851 6.724 1.00 0.00 H new ATOM 0 HB THR A 75 3.308 1.738 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.299 4.243 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.573 1.471 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.927 0.766 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.127 2.333 9.785 1.00 0.00 H new ATOM 1135 N ILE A 76 4.620 2.786 4.657 1.00 0.00 N ATOM 1136 CA ILE A 76 4.120 3.346 3.408 1.00 0.00 C ATOM 1137 C ILE A 76 2.684 2.915 3.135 1.00 0.00 C ATOM 1138 O ILE A 76 2.383 1.723 3.059 1.00 0.00 O ATOM 1139 CB ILE A 76 5.006 2.943 2.208 1.00 0.00 C ATOM 1140 CG1 ILE A 76 4.383 3.438 0.897 1.00 0.00 C ATOM 1141 CG2 ILE A 76 5.208 1.434 2.178 1.00 0.00 C ATOM 1142 CD1 ILE A 76 5.175 3.067 -0.339 1.00 0.00 C ATOM 0 H ILE A 76 5.030 1.856 4.569 1.00 0.00 H new ATOM 0 HA ILE A 76 4.150 4.429 3.523 1.00 0.00 H new ATOM 0 HB ILE A 76 5.983 3.413 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.377 3.029 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.284 4.523 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.834 1.168 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.693 1.113 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.241 0.939 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.670 3.453 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.174 3.499 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.253 1.982 -0.409 1.00 0.00 H new ATOM 1154 N ASP A 77 1.803 3.898 2.979 1.00 0.00 N ATOM 1155 CA ASP A 77 0.398 3.623 2.700 1.00 0.00 C ATOM 1156 C ASP A 77 -0.024 4.263 1.382 1.00 0.00 C ATOM 1157 O ASP A 77 0.659 5.147 0.863 1.00 0.00 O ATOM 1158 CB ASP A 77 -0.489 4.129 3.842 1.00 0.00 C ATOM 1159 CG ASP A 77 -0.298 5.606 4.119 1.00 0.00 C ATOM 1160 OD1 ASP A 77 0.821 5.996 4.510 1.00 0.00 O ATOM 1161 OD2 ASP A 77 -1.269 6.373 3.945 1.00 0.00 O ATOM 0 H ASP A 77 2.036 4.889 3.041 1.00 0.00 H new ATOM 0 HA ASP A 77 0.274 2.543 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.534 3.942 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.269 3.562 4.747 1.00 0.00 H new ATOM 1166 N TYR A 78 -1.153 3.810 0.843 1.00 0.00 N ATOM 1167 CA TYR A 78 -1.669 4.340 -0.420 1.00 0.00 C ATOM 1168 C TYR A 78 -1.880 5.851 -0.348 1.00 0.00 C ATOM 1169 O TYR A 78 -2.063 6.507 -1.373 1.00 0.00 O ATOM 1170 CB TYR A 78 -2.978 3.645 -0.819 1.00 0.00 C ATOM 1171 CG TYR A 78 -3.711 2.983 0.324 1.00 0.00 C ATOM 1172 CD1 TYR A 78 -4.163 3.715 1.414 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -3.945 1.617 0.306 1.00 0.00 C ATOM 1174 CE1 TYR A 78 -4.830 3.099 2.457 1.00 0.00 C ATOM 1175 CE2 TYR A 78 -4.609 0.994 1.340 1.00 0.00 C ATOM 1176 CZ TYR A 78 -5.051 1.737 2.415 1.00 0.00 C ATOM 1177 OH TYR A 78 -5.714 1.118 3.449 1.00 0.00 O ATOM 0 H TYR A 78 -1.729 3.078 1.259 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.919 4.135 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.638 4.379 -1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.759 2.893 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.991 4.781 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.601 1.031 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.176 3.680 3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.783 -0.071 1.309 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.787 0.159 3.263 1.00 0.00 H new ATOM 1187 N GLY A 79 -1.851 6.400 0.863 1.00 0.00 N ATOM 1188 CA GLY A 79 -2.036 7.830 1.032 1.00 0.00 C ATOM 1189 C GLY A 79 -0.771 8.615 0.737 1.00 0.00 C ATOM 1190 O GLY A 79 -0.832 9.758 0.283 1.00 0.00 O ATOM 0 H GLY A 79 -1.703 5.881 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.834 8.171 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.357 8.034 2.053 1.00 0.00 H new ATOM 1194 N GLU A 80 0.378 7.997 0.995 1.00 0.00 N ATOM 1195 CA GLU A 80 1.668 8.637 0.757 1.00 0.00 C ATOM 1196 C GLU A 80 2.116 8.422 -0.682 1.00 0.00 C ATOM 1197 O GLU A 80 2.406 9.379 -1.400 1.00 0.00 O ATOM 1198 CB GLU A 80 2.714 8.074 1.714 1.00 0.00 C ATOM 1199 CG GLU A 80 2.321 8.199 3.173 1.00 0.00 C ATOM 1200 CD GLU A 80 3.324 7.550 4.100 1.00 0.00 C ATOM 1201 OE1 GLU A 80 3.572 6.336 3.950 1.00 0.00 O ATOM 1202 OE2 GLU A 80 3.861 8.254 4.976 1.00 0.00 O ATOM 0 H GLU A 80 0.442 7.051 1.370 1.00 0.00 H new ATOM 0 HA GLU A 80 1.560 9.707 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.883 7.023 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.659 8.592 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.222 9.254 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.343 7.741 3.323 1.00 0.00 H new ATOM 1209 N PHE A 81 2.171 7.154 -1.086 1.00 0.00 N ATOM 1210 CA PHE A 81 2.583 6.780 -2.440 1.00 0.00 C ATOM 1211 C PHE A 81 2.053 7.763 -3.485 1.00 0.00 C ATOM 1212 O PHE A 81 2.759 8.111 -4.432 1.00 0.00 O ATOM 1213 CB PHE A 81 2.088 5.366 -2.758 1.00 0.00 C ATOM 1214 CG PHE A 81 2.301 4.952 -4.188 1.00 0.00 C ATOM 1215 CD1 PHE A 81 3.552 5.048 -4.778 1.00 0.00 C ATOM 1216 CD2 PHE A 81 1.244 4.465 -4.942 1.00 0.00 C ATOM 1217 CE1 PHE A 81 3.744 4.668 -6.094 1.00 0.00 C ATOM 1218 CE2 PHE A 81 1.431 4.084 -6.257 1.00 0.00 C ATOM 1219 CZ PHE A 81 2.682 4.184 -6.834 1.00 0.00 C ATOM 0 H PHE A 81 1.933 6.361 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 81 3.672 6.809 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.598 4.658 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.025 5.303 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.386 5.424 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.264 4.383 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.723 4.749 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.599 3.708 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.830 3.885 -7.861 1.00 0.00 H new ATOM 1229 N ILE A 82 0.813 8.212 -3.308 1.00 0.00 N ATOM 1230 CA ILE A 82 0.206 9.159 -4.239 1.00 0.00 C ATOM 1231 C ILE A 82 1.014 10.452 -4.303 1.00 0.00 C ATOM 1232 O ILE A 82 1.478 10.854 -5.371 1.00 0.00 O ATOM 1233 CB ILE A 82 -1.246 9.494 -3.844 1.00 0.00 C ATOM 1234 CG1 ILE A 82 -2.115 8.235 -3.896 1.00 0.00 C ATOM 1235 CG2 ILE A 82 -1.809 10.573 -4.760 1.00 0.00 C ATOM 1236 CD1 ILE A 82 -3.550 8.472 -3.475 1.00 0.00 C ATOM 0 H ILE A 82 0.211 7.937 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 82 0.202 8.681 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.251 9.874 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.104 7.837 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.677 7.474 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.835 10.799 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.201 11.474 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.794 10.219 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.106 7.537 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.572 8.841 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.006 9.210 -4.136 1.00 0.00 H new ATOM 1248 N ALA A 83 1.176 11.098 -3.152 1.00 0.00 N ATOM 1249 CA ALA A 83 1.927 12.345 -3.071 1.00 0.00 C ATOM 1250 C ALA A 83 3.396 12.124 -3.411 1.00 0.00 C ATOM 1251 O ALA A 83 4.129 13.075 -3.683 1.00 0.00 O ATOM 1252 CB ALA A 83 1.792 12.953 -1.683 1.00 0.00 C ATOM 0 H ALA A 83 0.796 10.777 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 83 1.511 13.038 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.358 13.884 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.741 13.156 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.180 12.255 -0.941 1.00 0.00 H new ATOM 1258 N ALA A 84 3.819 10.863 -3.395 1.00 0.00 N ATOM 1259 CA ALA A 84 5.201 10.516 -3.704 1.00 0.00 C ATOM 1260 C ALA A 84 5.485 10.691 -5.191 1.00 0.00 C ATOM 1261 O ALA A 84 5.528 9.720 -5.946 1.00 0.00 O ATOM 1262 CB ALA A 84 5.498 9.089 -3.269 1.00 0.00 C ATOM 0 H ALA A 84 3.224 10.065 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 84 5.855 11.192 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.533 8.844 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.340 8.996 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.834 8.403 -3.794 1.00 0.00 H new ATOM 1268 N THR A 85 5.678 11.939 -5.602 1.00 0.00 N ATOM 1269 CA THR A 85 5.957 12.254 -6.997 1.00 0.00 C ATOM 1270 C THR A 85 6.491 13.677 -7.127 1.00 0.00 C ATOM 1271 O THR A 85 5.953 14.606 -6.524 1.00 0.00 O ATOM 1272 CB THR A 85 4.692 12.087 -7.842 1.00 0.00 C ATOM 1273 OG1 THR A 85 4.945 12.415 -9.196 1.00 0.00 O ATOM 1274 CG2 THR A 85 3.537 12.942 -7.368 1.00 0.00 C ATOM 0 H THR A 85 5.646 12.751 -4.986 1.00 0.00 H new ATOM 0 HA THR A 85 6.717 11.563 -7.361 1.00 0.00 H new ATOM 0 HB THR A 85 4.412 11.039 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.124 12.300 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.673 12.775 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.283 12.675 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.822 13.993 -7.409 1.00 0.00 H new ATOM 1282 N VAL A 86 7.554 13.836 -7.914 1.00 0.00 N ATOM 1283 CA VAL A 86 8.171 15.143 -8.124 1.00 0.00 C ATOM 1284 C VAL A 86 8.794 15.670 -6.832 1.00 0.00 C ATOM 1285 O VAL A 86 10.004 15.564 -6.630 1.00 0.00 O ATOM 1286 CB VAL A 86 7.153 16.171 -8.660 1.00 0.00 C ATOM 1287 CG1 VAL A 86 7.821 17.517 -8.895 1.00 0.00 C ATOM 1288 CG2 VAL A 86 6.504 15.659 -9.938 1.00 0.00 C ATOM 0 H VAL A 86 8.006 13.073 -8.418 1.00 0.00 H new ATOM 0 HA VAL A 86 8.955 15.008 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 86 6.373 16.307 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.085 18.227 -9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.234 17.887 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.623 17.403 -9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.789 16.396 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.271 15.492 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.987 14.722 -9.733 1.00 0.00 H new ATOM 1298 N HIS A 87 7.963 16.234 -5.961 1.00 0.00 N ATOM 1299 CA HIS A 87 8.436 16.772 -4.690 1.00 0.00 C ATOM 1300 C HIS A 87 8.458 15.691 -3.614 1.00 0.00 C ATOM 1301 O HIS A 87 7.894 14.604 -3.857 1.00 0.00 O ATOM 1302 CB HIS A 87 7.551 17.936 -4.241 1.00 0.00 C ATOM 1303 CG HIS A 87 7.586 19.106 -5.173 1.00 0.00 C ATOM 1304 ND1 HIS A 87 8.741 19.804 -5.461 1.00 0.00 N ATOM 1305 CD2 HIS A 87 6.600 19.703 -5.883 1.00 0.00 C ATOM 1306 CE1 HIS A 87 8.463 20.780 -6.307 1.00 0.00 C ATOM 1307 NE2 HIS A 87 7.172 20.739 -6.579 1.00 0.00 N ATOM 1308 OXT HIS A 87 9.039 15.941 -2.537 1.00 0.00 O ATOM 0 H HIS A 87 6.959 16.330 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 87 9.454 17.134 -4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.523 17.586 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.867 18.261 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.558 19.418 -5.899 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.171 21.490 -6.708 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.679 21.375 -7.206 1.00 0.00 H new TER 1317 HIS A 87 HETATM 1318 CA CA A 88 2.218 -4.677 7.114 1.00 0.00 CA HETATM 1319 CA CA A 89 2.833 7.000 6.650 1.00 0.00 CA