USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 31 TYR OH : rot 167:sc= 0.0224 USER MOD Set 1.2: A 51 HIS : no HD1:sc=-0.00514 X(o=0.017,f=-0.099) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 30:sc= 0.316 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 174:sc= 1.28 USER MOD Single : A 30 GLN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.267 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 68 THR OG1 : rot -165:sc= 1.03 USER MOD Single : A 70 ASN : amide:sc= -1.02 X(o=-1,f=-0.91) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.777 18.433 -5.577 1.00 0.00 N ATOM 2 CA MET A 1 -7.789 18.925 -4.600 1.00 0.00 C ATOM 3 C MET A 1 -7.729 20.461 -4.484 1.00 0.00 C ATOM 4 O MET A 1 -6.674 20.985 -4.124 1.00 0.00 O ATOM 5 CB MET A 1 -7.676 18.211 -3.231 1.00 0.00 C ATOM 6 CG MET A 1 -6.401 18.484 -2.413 1.00 0.00 C ATOM 7 SD MET A 1 -6.122 17.448 -0.946 1.00 0.00 S ATOM 8 CE MET A 1 -5.470 15.955 -1.736 1.00 0.00 C ATOM 0 H1 MET A 1 -6.832 17.396 -5.642 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.966 18.849 -6.511 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.826 18.710 -5.261 1.00 0.00 H new ATOM 0 HA MET A 1 -8.778 18.669 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.536 18.497 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.748 17.137 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.543 18.370 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.421 19.526 -2.093 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.244 15.209 -0.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.213 15.555 -2.426 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.560 16.201 -2.284 1.00 0.00 H new ATOM 16 N CYS A 2 -8.820 21.185 -4.787 1.00 0.00 N ATOM 17 CA CYS A 2 -8.923 22.662 -4.676 1.00 0.00 C ATOM 18 C CYS A 2 -10.354 23.130 -4.318 1.00 0.00 C ATOM 19 O CYS A 2 -10.563 23.668 -3.232 1.00 0.00 O ATOM 20 CB CYS A 2 -8.445 23.305 -6.001 1.00 0.00 C ATOM 21 SG CYS A 2 -6.652 23.513 -6.049 1.00 0.00 S ATOM 0 H CYS A 2 -9.680 20.754 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.282 22.987 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.760 22.683 -6.839 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -8.925 24.275 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 2 -6.088 22.586 -5.332 1.00 0.00 H new ATOM 26 N ARG A 3 -11.342 22.906 -5.183 1.00 0.00 N ATOM 27 CA ARG A 3 -12.784 23.249 -5.001 1.00 0.00 C ATOM 28 C ARG A 3 -13.723 22.078 -5.342 1.00 0.00 C ATOM 29 O ARG A 3 -14.519 21.697 -4.485 1.00 0.00 O ATOM 30 CB ARG A 3 -13.160 24.493 -5.852 1.00 0.00 C ATOM 31 CG ARG A 3 -13.093 25.832 -5.100 1.00 0.00 C ATOM 32 CD ARG A 3 -11.812 26.619 -5.338 1.00 0.00 C ATOM 33 NE ARG A 3 -11.779 27.823 -4.492 1.00 0.00 N ATOM 34 CZ ARG A 3 -10.849 28.762 -4.463 1.00 0.00 C ATOM 35 NH1 ARG A 3 -9.835 28.759 -5.283 1.00 0.00 N ATOM 36 NH2 ARG A 3 -10.917 29.731 -3.598 1.00 0.00 N ATOM 0 H ARG A 3 -11.167 22.458 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.919 23.474 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.493 24.542 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.170 24.360 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.943 26.446 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.196 25.641 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.948 25.992 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.743 26.904 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.565 27.947 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.741 28.016 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.136 29.500 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.692 29.770 -2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.195 30.452 -3.582 1.00 0.00 H new ATOM 47 N LYS A 4 -13.610 21.520 -6.541 1.00 0.00 N ATOM 48 CA LYS A 4 -14.519 20.525 -7.144 1.00 0.00 C ATOM 49 C LYS A 4 -13.743 19.275 -7.566 1.00 0.00 C ATOM 50 O LYS A 4 -13.698 18.905 -8.738 1.00 0.00 O ATOM 51 CB LYS A 4 -15.380 21.160 -8.251 1.00 0.00 C ATOM 52 CG LYS A 4 -14.577 21.943 -9.298 1.00 0.00 C ATOM 53 CD LYS A 4 -15.390 22.305 -10.531 1.00 0.00 C ATOM 54 CE LYS A 4 -14.427 22.623 -11.674 1.00 0.00 C ATOM 55 NZ LYS A 4 -15.059 23.428 -12.751 1.00 0.00 N ATOM 0 H LYS A 4 -12.838 21.757 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.236 20.182 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.943 20.374 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.107 21.829 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.193 22.856 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.714 21.351 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.046 21.479 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.029 23.164 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.567 23.164 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.051 21.691 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.362 23.614 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.863 22.903 -13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.395 24.331 -12.358 1.00 0.00 H new ATOM 65 N LYS A 5 -13.065 18.627 -6.633 1.00 0.00 N ATOM 66 CA LYS A 5 -12.307 17.379 -6.817 1.00 0.00 C ATOM 67 C LYS A 5 -13.174 16.268 -7.445 1.00 0.00 C ATOM 68 O LYS A 5 -14.356 16.149 -7.058 1.00 0.00 O ATOM 69 CB LYS A 5 -11.659 16.949 -5.487 1.00 0.00 C ATOM 70 CG LYS A 5 -12.659 16.512 -4.400 1.00 0.00 C ATOM 71 CD LYS A 5 -12.343 17.093 -3.023 1.00 0.00 C ATOM 72 CE LYS A 5 -13.416 16.718 -1.994 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.697 17.448 -2.205 1.00 0.00 N ATOM 0 H LYS A 5 -13.020 18.967 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.503 17.564 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.971 16.126 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.064 17.777 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.663 16.818 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.663 15.424 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.372 16.728 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.269 18.178 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.602 15.645 -2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.043 16.931 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.357 17.221 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.515 18.472 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.114 17.161 -3.113 1.00 0.00 H new ATOM 83 N PRO A 6 -12.662 15.449 -8.358 1.00 0.00 N ATOM 84 CA PRO A 6 -13.344 14.245 -8.846 1.00 0.00 C ATOM 85 C PRO A 6 -13.337 13.116 -7.791 1.00 0.00 C ATOM 86 O PRO A 6 -12.823 13.287 -6.669 1.00 0.00 O ATOM 87 CB PRO A 6 -12.606 13.870 -10.136 1.00 0.00 C ATOM 88 CG PRO A 6 -11.187 14.372 -9.925 1.00 0.00 C ATOM 89 CD PRO A 6 -11.347 15.559 -8.981 1.00 0.00 C ATOM 0 HA PRO A 6 -14.403 14.417 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.625 12.793 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.067 14.337 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.552 13.600 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.726 14.671 -10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.563 15.556 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.259 16.498 -9.527 1.00 0.00 H new ATOM 94 N ASP A 7 -13.837 11.936 -8.135 1.00 0.00 N ATOM 95 CA ASP A 7 -13.790 10.703 -7.330 1.00 0.00 C ATOM 96 C ASP A 7 -12.363 10.263 -6.925 1.00 0.00 C ATOM 97 O ASP A 7 -12.217 9.371 -6.104 1.00 0.00 O ATOM 98 CB ASP A 7 -14.520 9.566 -8.060 1.00 0.00 C ATOM 99 CG ASP A 7 -16.012 9.874 -8.284 1.00 0.00 C ATOM 100 OD1 ASP A 7 -16.807 9.785 -7.322 1.00 0.00 O ATOM 101 OD2 ASP A 7 -16.392 10.202 -9.429 1.00 0.00 O ATOM 0 H ASP A 7 -14.312 11.797 -9.027 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.301 10.934 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.040 9.389 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.424 8.647 -7.482 1.00 0.00 H new ATOM 105 N THR A 8 -11.297 10.898 -7.444 1.00 0.00 N ATOM 106 CA THR A 8 -9.891 10.687 -7.032 1.00 0.00 C ATOM 107 C THR A 8 -9.664 10.782 -5.507 1.00 0.00 C ATOM 108 O THR A 8 -8.880 10.014 -4.943 1.00 0.00 O ATOM 109 CB THR A 8 -8.945 11.632 -7.795 1.00 0.00 C ATOM 110 OG1 THR A 8 -7.628 11.153 -7.743 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.956 13.069 -7.275 1.00 0.00 C ATOM 0 H THR A 8 -11.389 11.594 -8.184 1.00 0.00 H new ATOM 0 HA THR A 8 -9.654 9.658 -7.300 1.00 0.00 H new ATOM 0 HB THR A 8 -9.317 11.650 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.038 11.763 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.265 13.674 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.962 13.480 -7.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.649 13.080 -6.229 1.00 0.00 H new ATOM 119 N MET A 9 -10.404 11.661 -4.819 1.00 0.00 N ATOM 120 CA MET A 9 -10.391 11.793 -3.356 1.00 0.00 C ATOM 121 C MET A 9 -10.844 10.489 -2.668 1.00 0.00 C ATOM 122 O MET A 9 -10.230 10.054 -1.689 1.00 0.00 O ATOM 123 CB MET A 9 -11.248 13.003 -2.968 1.00 0.00 C ATOM 124 CG MET A 9 -11.493 13.157 -1.463 1.00 0.00 C ATOM 125 SD MET A 9 -13.030 12.372 -0.883 1.00 0.00 S ATOM 126 CE MET A 9 -12.932 12.720 0.891 1.00 0.00 C ATOM 0 H MET A 9 -11.042 12.314 -5.273 1.00 0.00 H new ATOM 0 HA MET A 9 -9.373 11.965 -3.006 1.00 0.00 H new ATOM 0 HB2 MET A 9 -10.765 13.907 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.211 12.926 -3.473 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.650 12.727 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.523 14.218 -1.216 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.805 12.302 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.028 12.269 1.301 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.904 13.798 1.049 1.00 0.00 H new ATOM 134 N ILE A 10 -11.861 9.836 -3.230 1.00 0.00 N ATOM 135 CA ILE A 10 -12.297 8.489 -2.842 1.00 0.00 C ATOM 136 C ILE A 10 -11.329 7.433 -3.365 1.00 0.00 C ATOM 137 O ILE A 10 -11.047 6.518 -2.610 1.00 0.00 O ATOM 138 CB ILE A 10 -13.755 8.228 -3.267 1.00 0.00 C ATOM 139 CG1 ILE A 10 -14.705 9.136 -2.454 1.00 0.00 C ATOM 140 CG2 ILE A 10 -14.203 6.767 -3.073 1.00 0.00 C ATOM 141 CD1 ILE A 10 -15.740 9.824 -3.352 1.00 0.00 C ATOM 0 H ILE A 10 -12.419 10.235 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.279 8.420 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.802 8.448 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.218 8.542 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.123 9.891 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.239 6.659 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.569 6.110 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.118 6.497 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.389 10.453 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.228 10.439 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.340 9.069 -3.860 1.00 0.00 H new ATOM 152 N LEU A 11 -10.742 7.561 -4.558 1.00 0.00 N ATOM 153 CA LEU A 11 -9.779 6.598 -5.111 1.00 0.00 C ATOM 154 C LEU A 11 -8.629 6.310 -4.121 1.00 0.00 C ATOM 155 O LEU A 11 -8.314 5.147 -3.857 1.00 0.00 O ATOM 156 CB LEU A 11 -9.257 7.041 -6.492 1.00 0.00 C ATOM 157 CG LEU A 11 -8.963 5.908 -7.502 1.00 0.00 C ATOM 158 CD1 LEU A 11 -8.156 6.472 -8.669 1.00 0.00 C ATOM 159 CD2 LEU A 11 -8.176 4.699 -6.979 1.00 0.00 C ATOM 0 H LEU A 11 -10.924 8.349 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.311 5.659 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.990 7.715 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.343 7.616 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.954 5.542 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.946 5.677 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.728 7.260 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.217 6.883 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.038 3.979 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.203 5.028 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.728 4.230 -6.164 1.00 0.00 H new ATOM 170 N THR A 12 -8.084 7.334 -3.469 1.00 0.00 N ATOM 171 CA THR A 12 -7.127 7.217 -2.351 1.00 0.00 C ATOM 172 C THR A 12 -7.664 6.446 -1.133 1.00 0.00 C ATOM 173 O THR A 12 -6.937 5.655 -0.539 1.00 0.00 O ATOM 174 CB THR A 12 -6.610 8.609 -1.975 1.00 0.00 C ATOM 175 OG1 THR A 12 -5.720 9.050 -2.975 1.00 0.00 O ATOM 176 CG2 THR A 12 -5.880 8.694 -0.637 1.00 0.00 C ATOM 0 H THR A 12 -8.298 8.303 -3.705 1.00 0.00 H new ATOM 0 HA THR A 12 -6.297 6.605 -2.703 1.00 0.00 H new ATOM 0 HB THR A 12 -7.500 9.232 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.385 9.941 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.555 9.720 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.552 8.387 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.011 8.036 -0.654 1.00 0.00 H new ATOM 184 N GLN A 13 -8.946 6.603 -0.777 1.00 0.00 N ATOM 185 CA GLN A 13 -9.648 5.841 0.271 1.00 0.00 C ATOM 186 C GLN A 13 -9.895 4.373 -0.131 1.00 0.00 C ATOM 187 O GLN A 13 -9.643 3.482 0.672 1.00 0.00 O ATOM 188 CB GLN A 13 -10.933 6.559 0.750 1.00 0.00 C ATOM 189 CG GLN A 13 -12.246 5.794 0.501 1.00 0.00 C ATOM 190 CD GLN A 13 -13.491 6.483 1.067 1.00 0.00 C ATOM 191 OE1 GLN A 13 -13.668 7.712 0.957 1.00 0.00 O ATOM 192 NE2 GLN A 13 -14.393 5.765 1.676 1.00 0.00 N ATOM 0 H GLN A 13 -9.549 7.291 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.980 5.803 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.843 6.755 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.996 7.527 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.376 5.658 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.163 4.800 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.263 4.758 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.229 6.210 2.054 1.00 0.00 H new ATOM 199 N ILE A 14 -10.371 4.086 -1.346 1.00 0.00 N ATOM 200 CA ILE A 14 -10.547 2.699 -1.801 1.00 0.00 C ATOM 201 C ILE A 14 -9.180 2.012 -1.843 1.00 0.00 C ATOM 202 O ILE A 14 -9.057 0.919 -1.310 1.00 0.00 O ATOM 203 CB ILE A 14 -11.402 2.467 -3.080 1.00 0.00 C ATOM 204 CG1 ILE A 14 -10.951 1.254 -3.919 1.00 0.00 C ATOM 205 CG2 ILE A 14 -11.473 3.675 -3.990 1.00 0.00 C ATOM 206 CD1 ILE A 14 -11.869 0.857 -5.087 1.00 0.00 C ATOM 0 H ILE A 14 -10.641 4.791 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.186 2.223 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.395 2.267 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.959 1.464 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.852 0.396 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.085 3.439 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -11.916 4.512 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.468 3.945 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.449 -0.007 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.858 0.606 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.951 1.691 -5.785 1.00 0.00 H new ATOM 217 N GLU A 15 -8.125 2.680 -2.303 1.00 0.00 N ATOM 218 CA GLU A 15 -6.764 2.168 -2.228 1.00 0.00 C ATOM 219 C GLU A 15 -6.254 1.853 -0.796 1.00 0.00 C ATOM 220 O GLU A 15 -5.241 1.166 -0.672 1.00 0.00 O ATOM 221 CB GLU A 15 -5.805 3.103 -2.972 1.00 0.00 C ATOM 222 CG GLU A 15 -5.736 2.795 -4.466 1.00 0.00 C ATOM 223 CD GLU A 15 -4.356 3.121 -5.046 1.00 0.00 C ATOM 224 OE1 GLU A 15 -3.462 2.249 -5.011 1.00 0.00 O ATOM 225 OE2 GLU A 15 -4.121 4.247 -5.530 1.00 0.00 O ATOM 0 H GLU A 15 -8.194 3.599 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.789 1.196 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.125 4.135 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.808 3.016 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.961 1.741 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.498 3.370 -4.992 1.00 0.00 H new ATOM 230 N ALA A 16 -6.951 2.258 0.278 1.00 0.00 N ATOM 231 CA ALA A 16 -6.714 1.784 1.639 1.00 0.00 C ATOM 232 C ALA A 16 -7.513 0.498 2.003 1.00 0.00 C ATOM 233 O ALA A 16 -6.938 -0.450 2.544 1.00 0.00 O ATOM 234 CB ALA A 16 -7.001 2.913 2.621 1.00 0.00 C ATOM 0 H ALA A 16 -7.709 2.938 0.216 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.666 1.493 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.825 2.564 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.344 3.756 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.040 3.228 2.520 1.00 0.00 H new ATOM 240 N LYS A 17 -8.819 0.413 1.681 1.00 0.00 N ATOM 241 CA LYS A 17 -9.667 -0.768 1.962 1.00 0.00 C ATOM 242 C LYS A 17 -9.468 -1.939 0.985 1.00 0.00 C ATOM 243 O LYS A 17 -9.419 -3.092 1.391 1.00 0.00 O ATOM 244 CB LYS A 17 -11.160 -0.380 2.090 1.00 0.00 C ATOM 245 CG LYS A 17 -11.838 -0.146 0.741 1.00 0.00 C ATOM 246 CD LYS A 17 -13.323 0.216 0.763 1.00 0.00 C ATOM 247 CE LYS A 17 -14.181 -1.050 0.623 1.00 0.00 C ATOM 248 NZ LYS A 17 -15.550 -0.722 0.140 1.00 0.00 N ATOM 0 H LYS A 17 -9.322 1.168 1.214 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.326 -1.141 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.690 -1.169 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.244 0.524 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.303 0.652 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.718 -1.048 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.566 0.727 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.548 0.908 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.703 -1.741 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.244 -1.558 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.107 -1.596 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.012 -0.081 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.489 -0.259 -0.789 1.00 0.00 H new ATOM 258 N GLU A 18 -9.278 -1.633 -0.298 1.00 0.00 N ATOM 259 CA GLU A 18 -8.943 -2.594 -1.363 1.00 0.00 C ATOM 260 C GLU A 18 -7.452 -2.957 -1.317 1.00 0.00 C ATOM 261 O GLU A 18 -7.087 -3.954 -1.920 1.00 0.00 O ATOM 262 CB GLU A 18 -9.292 -2.044 -2.755 1.00 0.00 C ATOM 263 CG GLU A 18 -10.613 -2.543 -3.332 1.00 0.00 C ATOM 264 CD GLU A 18 -11.819 -2.479 -2.364 1.00 0.00 C ATOM 265 OE1 GLU A 18 -12.101 -3.307 -1.594 1.00 0.00 O ATOM 266 OE2 GLU A 18 -12.593 -1.396 -2.477 1.00 0.00 O ATOM 0 H GLU A 18 -9.355 -0.676 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.540 -3.489 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.324 -0.956 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.489 -2.306 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.848 -1.956 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.483 -3.575 -3.657 1.00 0.00 H new ATOM 271 N ALA A 19 -6.601 -2.229 -0.593 1.00 0.00 N ATOM 272 CA ALA A 19 -5.355 -2.802 -0.117 1.00 0.00 C ATOM 273 C ALA A 19 -5.610 -3.895 0.927 1.00 0.00 C ATOM 274 O ALA A 19 -4.973 -4.949 0.837 1.00 0.00 O ATOM 275 CB ALA A 19 -4.432 -1.724 0.409 1.00 0.00 C ATOM 0 H ALA A 19 -6.754 -1.256 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.855 -3.277 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.505 -2.178 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.210 -1.015 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.916 -1.202 1.235 1.00 0.00 H new ATOM 281 N CYS A 20 -6.527 -3.718 1.887 1.00 0.00 N ATOM 282 CA CYS A 20 -6.874 -4.838 2.775 1.00 0.00 C ATOM 283 C CYS A 20 -7.403 -6.074 2.008 1.00 0.00 C ATOM 284 O CYS A 20 -6.863 -7.173 2.216 1.00 0.00 O ATOM 285 CB CYS A 20 -7.822 -4.375 3.892 1.00 0.00 C ATOM 286 SG CYS A 20 -7.920 -5.668 5.162 1.00 0.00 S ATOM 0 H CYS A 20 -7.026 -2.847 2.067 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.952 -5.175 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.461 -3.444 4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.812 -4.172 3.485 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.719 -5.283 6.112 1.00 0.00 H new ATOM 291 N ASP A 21 -8.332 -5.887 1.061 1.00 0.00 N ATOM 292 CA ASP A 21 -8.787 -6.975 0.210 1.00 0.00 C ATOM 293 C ASP A 21 -7.667 -7.566 -0.678 1.00 0.00 C ATOM 294 O ASP A 21 -7.502 -8.790 -0.714 1.00 0.00 O ATOM 295 CB ASP A 21 -9.974 -6.489 -0.615 1.00 0.00 C ATOM 296 CG ASP A 21 -10.743 -7.623 -1.340 1.00 0.00 C ATOM 297 OD1 ASP A 21 -10.862 -8.721 -0.827 1.00 0.00 O ATOM 298 OD2 ASP A 21 -11.276 -7.407 -2.434 1.00 0.00 O ATOM 0 H ASP A 21 -8.778 -4.990 0.871 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.099 -7.801 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.664 -5.956 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.620 -5.773 -1.356 1.00 0.00 H new ATOM 302 N TRP A 22 -6.851 -6.713 -1.310 1.00 0.00 N ATOM 303 CA TRP A 22 -5.757 -7.146 -2.190 1.00 0.00 C ATOM 304 C TRP A 22 -4.641 -7.876 -1.430 1.00 0.00 C ATOM 305 O TRP A 22 -4.332 -9.018 -1.785 1.00 0.00 O ATOM 306 CB TRP A 22 -5.189 -5.980 -3.003 1.00 0.00 C ATOM 307 CG TRP A 22 -4.236 -6.331 -4.055 1.00 0.00 C ATOM 308 CD1 TRP A 22 -4.546 -6.444 -5.374 1.00 0.00 C ATOM 309 CD2 TRP A 22 -2.826 -6.664 -3.971 1.00 0.00 C ATOM 310 NE1 TRP A 22 -3.440 -6.824 -6.099 1.00 0.00 N ATOM 311 CE2 TRP A 22 -2.351 -7.028 -5.293 1.00 0.00 C ATOM 312 CE3 TRP A 22 -1.860 -6.757 -2.921 1.00 0.00 C ATOM 313 CZ2 TRP A 22 -1.055 -7.478 -5.534 1.00 0.00 C ATOM 314 CZ3 TRP A 22 -0.556 -7.222 -3.152 1.00 0.00 C ATOM 315 CH2 TRP A 22 -0.162 -7.610 -4.451 1.00 0.00 C ATOM 0 H TRP A 22 -6.931 -5.700 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.194 -7.863 -2.885 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.021 -5.443 -3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.702 -5.288 -2.316 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.524 -6.261 -5.794 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.432 -6.940 -7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.142 -6.461 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.738 -7.723 -6.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.147 -7.283 -2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.828 -8.010 -4.616 1.00 0.00 H new ATOM 325 N LEU A 23 -4.102 -7.283 -0.350 1.00 0.00 N ATOM 326 CA LEU A 23 -3.061 -7.901 0.485 1.00 0.00 C ATOM 327 C LEU A 23 -3.553 -9.282 0.996 1.00 0.00 C ATOM 328 O LEU A 23 -2.842 -10.286 0.867 1.00 0.00 O ATOM 329 CB LEU A 23 -2.648 -7.016 1.676 1.00 0.00 C ATOM 330 CG LEU A 23 -1.539 -5.960 1.511 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.334 -6.464 0.731 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.977 -4.649 0.888 1.00 0.00 C ATOM 0 H LEU A 23 -4.380 -6.355 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.177 -8.024 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.543 -6.494 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.342 -7.682 2.482 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.264 -5.767 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.407 -5.669 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.103 -7.318 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.648 -6.767 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.122 -3.976 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.376 -4.835 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.748 -4.191 1.508 1.00 0.00 H new ATOM 343 N ARG A 24 -4.789 -9.355 1.512 1.00 0.00 N ATOM 344 CA ARG A 24 -5.398 -10.589 2.010 1.00 0.00 C ATOM 345 C ARG A 24 -5.597 -11.669 0.925 1.00 0.00 C ATOM 346 O ARG A 24 -5.204 -12.822 1.126 1.00 0.00 O ATOM 347 CB ARG A 24 -6.703 -10.259 2.730 1.00 0.00 C ATOM 348 CG ARG A 24 -7.311 -11.464 3.457 1.00 0.00 C ATOM 349 CD ARG A 24 -8.367 -11.030 4.487 1.00 0.00 C ATOM 350 NE ARG A 24 -8.283 -11.857 5.702 1.00 0.00 N ATOM 351 CZ ARG A 24 -8.741 -11.553 6.902 1.00 0.00 C ATOM 352 NH1 ARG A 24 -9.467 -10.494 7.124 1.00 0.00 N ATOM 353 NH2 ARG A 24 -8.471 -12.311 7.918 1.00 0.00 N ATOM 0 H ARG A 24 -5.400 -8.543 1.595 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.697 -11.034 2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.522 -9.461 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.424 -9.877 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.766 -12.137 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.521 -12.024 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.221 -9.981 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.363 -11.115 4.052 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.822 -12.762 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.700 -9.865 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.802 -10.294 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.902 -13.148 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.828 -12.071 8.843 1.00 0.00 H new ATOM 364 N ALA A 25 -6.092 -11.280 -0.254 1.00 0.00 N ATOM 365 CA ALA A 25 -6.293 -12.162 -1.410 1.00 0.00 C ATOM 366 C ALA A 25 -4.959 -12.626 -2.047 1.00 0.00 C ATOM 367 O ALA A 25 -4.848 -13.777 -2.492 1.00 0.00 O ATOM 368 CB ALA A 25 -7.179 -11.454 -2.452 1.00 0.00 C ATOM 0 H ALA A 25 -6.372 -10.316 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.793 -13.063 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.327 -12.110 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.145 -11.215 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.693 -10.535 -2.778 1.00 0.00 H new ATOM 374 N THR A 26 -3.940 -11.766 -2.056 1.00 0.00 N ATOM 375 CA THR A 26 -2.563 -12.021 -2.516 1.00 0.00 C ATOM 376 C THR A 26 -1.837 -13.002 -1.579 1.00 0.00 C ATOM 377 O THR A 26 -1.232 -13.961 -2.071 1.00 0.00 O ATOM 378 CB THR A 26 -1.771 -10.707 -2.676 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.291 -9.969 -3.754 1.00 0.00 O ATOM 380 CG2 THR A 26 -0.285 -10.873 -2.987 1.00 0.00 C ATOM 0 H THR A 26 -4.056 -10.809 -1.722 1.00 0.00 H new ATOM 0 HA THR A 26 -2.624 -12.487 -3.499 1.00 0.00 H new ATOM 0 HB THR A 26 -1.871 -10.219 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.855 -9.092 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.179 -9.891 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.196 -11.427 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.168 -11.420 -3.923 1.00 0.00 H new ATOM 388 N GLY A 27 -1.911 -12.828 -0.253 1.00 0.00 N ATOM 389 CA GLY A 27 -1.371 -13.774 0.735 1.00 0.00 C ATOM 390 C GLY A 27 -0.812 -13.174 2.043 1.00 0.00 C ATOM 391 O GLY A 27 -0.021 -13.849 2.719 1.00 0.00 O ATOM 0 H GLY A 27 -2.355 -12.013 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.160 -14.480 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.576 -14.347 0.257 1.00 0.00 H new ATOM 395 N PHE A 28 -1.157 -11.932 2.396 1.00 0.00 N ATOM 396 CA PHE A 28 -0.482 -11.118 3.408 1.00 0.00 C ATOM 397 C PHE A 28 -1.432 -10.274 4.284 1.00 0.00 C ATOM 398 O PHE A 28 -1.336 -9.036 4.295 1.00 0.00 O ATOM 399 CB PHE A 28 0.546 -10.203 2.718 1.00 0.00 C ATOM 400 CG PHE A 28 1.557 -10.878 1.826 1.00 0.00 C ATOM 401 CD1 PHE A 28 2.675 -11.516 2.396 1.00 0.00 C ATOM 402 CD2 PHE A 28 1.407 -10.831 0.425 1.00 0.00 C ATOM 403 CE1 PHE A 28 3.632 -12.122 1.562 1.00 0.00 C ATOM 404 CE2 PHE A 28 2.371 -11.435 -0.400 1.00 0.00 C ATOM 405 CZ PHE A 28 3.474 -12.087 0.168 1.00 0.00 C ATOM 0 H PHE A 28 -1.946 -11.448 1.967 1.00 0.00 H new ATOM 0 HA PHE A 28 0.005 -11.815 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.003 -9.468 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.085 -9.653 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.797 -11.540 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.555 -10.333 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.490 -12.615 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.262 -11.397 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.204 -12.564 -0.469 1.00 0.00 H new ATOM 414 N PRO A 29 -2.370 -10.875 5.037 1.00 0.00 N ATOM 415 CA PRO A 29 -3.327 -10.130 5.859 1.00 0.00 C ATOM 416 C PRO A 29 -2.671 -9.212 6.933 1.00 0.00 C ATOM 417 O PRO A 29 -3.289 -8.257 7.407 1.00 0.00 O ATOM 418 CB PRO A 29 -4.273 -11.176 6.444 1.00 0.00 C ATOM 419 CG PRO A 29 -3.480 -12.470 6.414 1.00 0.00 C ATOM 420 CD PRO A 29 -2.511 -12.304 5.256 1.00 0.00 C ATOM 0 HA PRO A 29 -3.870 -9.409 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.571 -10.917 7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.187 -11.257 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.950 -12.631 7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.132 -13.330 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.548 -12.758 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.888 -12.798 4.361 1.00 0.00 H new ATOM 425 N GLN A 30 -1.402 -9.428 7.278 1.00 0.00 N ATOM 426 CA GLN A 30 -0.562 -8.604 8.165 1.00 0.00 C ATOM 427 C GLN A 30 -0.249 -7.222 7.592 1.00 0.00 C ATOM 428 O GLN A 30 -0.236 -6.242 8.330 1.00 0.00 O ATOM 429 CB GLN A 30 0.725 -9.379 8.484 1.00 0.00 C ATOM 430 CG GLN A 30 1.750 -8.642 9.350 1.00 0.00 C ATOM 431 CD GLN A 30 1.240 -8.217 10.712 1.00 0.00 C ATOM 432 OE1 GLN A 30 1.325 -8.964 11.693 1.00 0.00 O ATOM 433 NE2 GLN A 30 0.723 -7.044 10.884 1.00 0.00 N ATOM 0 H GLN A 30 -0.893 -10.238 6.924 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.124 -8.414 9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.453 -10.307 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.203 -9.655 7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.619 -9.285 9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.090 -7.757 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.638 -6.403 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.400 -6.760 11.809 1.00 0.00 H new ATOM 440 N TYR A 31 0.076 -7.074 6.318 1.00 0.00 N ATOM 441 CA TYR A 31 0.508 -5.797 5.723 1.00 0.00 C ATOM 442 C TYR A 31 -0.627 -4.744 5.749 1.00 0.00 C ATOM 443 O TYR A 31 -0.386 -3.577 6.076 1.00 0.00 O ATOM 444 CB TYR A 31 0.949 -5.990 4.280 1.00 0.00 C ATOM 445 CG TYR A 31 2.329 -6.577 4.070 1.00 0.00 C ATOM 446 CD1 TYR A 31 3.454 -6.145 4.829 1.00 0.00 C ATOM 447 CD2 TYR A 31 2.497 -7.503 3.032 1.00 0.00 C ATOM 448 CE1 TYR A 31 4.728 -6.713 4.562 1.00 0.00 C ATOM 449 CE2 TYR A 31 3.736 -8.115 2.825 1.00 0.00 C ATOM 450 CZ TYR A 31 4.855 -7.690 3.555 1.00 0.00 C ATOM 451 OH TYR A 31 6.079 -8.232 3.282 1.00 0.00 O ATOM 0 H TYR A 31 0.050 -7.843 5.649 1.00 0.00 H new ATOM 0 HA TYR A 31 1.345 -5.441 6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.224 -6.636 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.909 -5.023 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.340 -5.395 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.664 -7.745 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.593 -6.398 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.831 -8.914 2.104 1.00 0.00 H new ATOM 0 HH TYR A 31 5.967 -9.026 2.719 1.00 0.00 H new ATOM 460 N ALA A 32 -1.860 -5.158 5.464 1.00 0.00 N ATOM 461 CA ALA A 32 -3.025 -4.329 5.644 1.00 0.00 C ATOM 462 C ALA A 32 -3.239 -3.926 7.109 1.00 0.00 C ATOM 463 O ALA A 32 -3.554 -2.775 7.411 1.00 0.00 O ATOM 464 CB ALA A 32 -4.207 -5.117 5.125 1.00 0.00 C ATOM 0 H ALA A 32 -2.068 -6.088 5.099 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.899 -3.394 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.116 -4.527 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.056 -5.348 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.302 -6.045 5.689 1.00 0.00 H new ATOM 470 N GLN A 33 -2.999 -4.847 8.043 1.00 0.00 N ATOM 471 CA GLN A 33 -3.128 -4.631 9.482 1.00 0.00 C ATOM 472 C GLN A 33 -2.089 -3.657 10.047 1.00 0.00 C ATOM 473 O GLN A 33 -2.409 -2.834 10.895 1.00 0.00 O ATOM 474 CB GLN A 33 -3.103 -5.992 10.192 1.00 0.00 C ATOM 475 CG GLN A 33 -3.851 -5.949 11.527 1.00 0.00 C ATOM 476 CD GLN A 33 -4.096 -7.358 12.052 1.00 0.00 C ATOM 477 OE1 GLN A 33 -3.169 -8.095 12.410 1.00 0.00 O ATOM 478 NE2 GLN A 33 -5.318 -7.825 12.103 1.00 0.00 N ATOM 0 H GLN A 33 -2.700 -5.794 7.810 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.085 -4.144 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.553 -6.747 9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.070 -6.294 10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.273 -5.379 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.802 -5.432 11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.101 -7.238 11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.487 -8.775 12.432 1.00 0.00 H new ATOM 485 N LEU A 34 -0.867 -3.664 9.506 1.00 0.00 N ATOM 486 CA LEU A 34 0.202 -2.686 9.768 1.00 0.00 C ATOM 487 C LEU A 34 -0.214 -1.263 9.366 1.00 0.00 C ATOM 488 O LEU A 34 0.128 -0.296 10.043 1.00 0.00 O ATOM 489 CB LEU A 34 1.489 -3.110 9.071 1.00 0.00 C ATOM 490 CG LEU A 34 2.402 -4.022 9.867 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.144 -5.028 8.944 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.429 -3.247 10.712 1.00 0.00 C ATOM 0 H LEU A 34 -0.579 -4.383 8.842 1.00 0.00 H new ATOM 0 HA LEU A 34 0.384 -2.667 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.227 -3.613 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.047 -2.213 8.803 1.00 0.00 H new ATOM 0 HG LEU A 34 1.752 -4.570 10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.790 -5.667 9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.415 -5.644 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.748 -4.481 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.055 -3.951 11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.054 -2.639 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.906 -2.601 11.418 1.00 0.00 H new ATOM 503 N TYR A 35 -0.927 -1.101 8.252 1.00 0.00 N ATOM 504 CA TYR A 35 -1.528 0.179 7.853 1.00 0.00 C ATOM 505 C TYR A 35 -2.770 0.551 8.678 1.00 0.00 C ATOM 506 O TYR A 35 -2.875 1.690 9.141 1.00 0.00 O ATOM 507 CB TYR A 35 -1.851 0.188 6.366 1.00 0.00 C ATOM 508 CG TYR A 35 -2.515 1.472 5.898 1.00 0.00 C ATOM 509 CD1 TYR A 35 -3.914 1.566 5.912 1.00 0.00 C ATOM 510 CD2 TYR A 35 -1.735 2.530 5.403 1.00 0.00 C ATOM 511 CE1 TYR A 35 -4.552 2.731 5.420 1.00 0.00 C ATOM 512 CE2 TYR A 35 -2.367 3.665 4.853 1.00 0.00 C ATOM 513 CZ TYR A 35 -3.771 3.759 4.850 1.00 0.00 C ATOM 514 OH TYR A 35 -4.373 4.862 4.316 1.00 0.00 O ATOM 0 H TYR A 35 -1.107 -1.858 7.593 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.779 0.943 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.931 0.037 5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.505 -0.654 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.506 0.749 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.657 2.475 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.626 2.832 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.772 4.463 4.434 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.213 5.038 4.790 1.00 0.00 H new ATOM 523 N GLU A 36 -3.691 -0.382 8.921 1.00 0.00 N ATOM 524 CA GLU A 36 -4.861 -0.157 9.783 1.00 0.00 C ATOM 525 C GLU A 36 -4.474 0.172 11.244 1.00 0.00 C ATOM 526 O GLU A 36 -5.264 0.805 11.951 1.00 0.00 O ATOM 527 CB GLU A 36 -5.818 -1.360 9.743 1.00 0.00 C ATOM 528 CG GLU A 36 -6.593 -1.449 8.417 1.00 0.00 C ATOM 529 CD GLU A 36 -7.674 -2.539 8.452 1.00 0.00 C ATOM 530 OE1 GLU A 36 -7.444 -3.648 8.994 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.797 -2.305 7.924 1.00 0.00 O ATOM 0 H GLU A 36 -3.650 -1.321 8.525 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.373 0.717 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.249 -2.278 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.525 -1.286 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.057 -0.486 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.897 -1.655 7.604 1.00 0.00 H new ATOM 536 N ASP A 37 -3.262 -0.185 11.687 1.00 0.00 N ATOM 537 CA ASP A 37 -2.700 0.202 12.978 1.00 0.00 C ATOM 538 C ASP A 37 -2.591 1.729 13.141 1.00 0.00 C ATOM 539 O ASP A 37 -3.199 2.300 14.055 1.00 0.00 O ATOM 540 CB ASP A 37 -1.329 -0.470 13.181 1.00 0.00 C ATOM 541 CG ASP A 37 -0.862 -0.361 14.642 1.00 0.00 C ATOM 542 OD1 ASP A 37 -1.288 -1.187 15.478 1.00 0.00 O ATOM 543 OD2 ASP A 37 -0.077 0.554 14.957 1.00 0.00 O ATOM 0 H ASP A 37 -2.631 -0.768 11.138 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.387 -0.145 13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.391 -1.520 12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.593 -0.004 12.526 1.00 0.00 H new ATOM 547 N PHE A 38 -1.880 2.411 12.238 1.00 0.00 N ATOM 548 CA PHE A 38 -1.641 3.872 12.238 1.00 0.00 C ATOM 549 C PHE A 38 -1.065 4.479 10.962 1.00 0.00 C ATOM 550 O PHE A 38 -0.481 5.560 11.015 1.00 0.00 O ATOM 551 CB PHE A 38 -0.860 4.314 13.506 1.00 0.00 C ATOM 552 CG PHE A 38 -1.653 5.287 14.363 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.017 6.549 13.842 1.00 0.00 C ATOM 554 CD2 PHE A 38 -2.111 4.905 15.631 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.836 7.416 14.599 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.921 5.763 16.378 1.00 0.00 C ATOM 557 CZ PHE A 38 -3.290 7.013 15.868 1.00 0.00 C ATOM 0 H PHE A 38 -1.432 1.946 11.448 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.644 4.297 12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.607 3.435 14.099 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.080 4.779 13.207 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.669 6.851 12.865 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.836 3.941 16.033 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.112 8.383 14.206 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.265 5.460 17.356 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.923 7.668 16.448 1.00 0.00 H new ATOM 566 N LEU A 39 -1.187 3.813 9.811 1.00 0.00 N ATOM 567 CA LEU A 39 -0.539 4.098 8.513 1.00 0.00 C ATOM 568 C LEU A 39 1.002 4.074 8.703 1.00 0.00 C ATOM 569 O LEU A 39 1.634 5.091 9.007 1.00 0.00 O ATOM 570 CB LEU A 39 -1.091 5.382 7.861 1.00 0.00 C ATOM 571 CG LEU A 39 -2.624 5.578 7.758 1.00 0.00 C ATOM 572 CD1 LEU A 39 -3.303 6.062 9.000 1.00 0.00 C ATOM 573 CD2 LEU A 39 -2.903 6.685 6.708 1.00 0.00 C ATOM 0 H LEU A 39 -1.789 2.992 9.750 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.784 3.318 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.688 6.230 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.684 5.438 6.851 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.011 4.588 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.372 6.164 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.141 5.346 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.891 7.030 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.978 6.840 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.428 7.614 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.499 6.381 5.742 1.00 0.00 H new ATOM 584 N PHE A 40 1.615 2.905 8.570 1.00 0.00 N ATOM 585 CA PHE A 40 3.071 2.672 8.673 1.00 0.00 C ATOM 586 C PHE A 40 3.908 3.080 7.431 1.00 0.00 C ATOM 587 O PHE A 40 3.685 2.539 6.383 1.00 0.00 O ATOM 588 CB PHE A 40 3.253 1.227 9.160 1.00 0.00 C ATOM 589 CG PHE A 40 3.146 0.129 8.105 1.00 0.00 C ATOM 590 CD1 PHE A 40 2.121 0.047 7.089 1.00 0.00 C ATOM 591 CD2 PHE A 40 4.139 -0.927 8.130 1.00 0.00 C ATOM 592 CE1 PHE A 40 2.099 -0.961 6.148 1.00 0.00 C ATOM 593 CE2 PHE A 40 4.081 -1.976 7.161 1.00 0.00 C ATOM 594 CZ PHE A 40 3.033 -1.966 6.200 1.00 0.00 C ATOM 0 H PHE A 40 1.098 2.047 8.378 1.00 0.00 H new ATOM 0 HA PHE A 40 3.503 3.358 9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.231 1.149 9.635 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.508 1.032 9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.347 0.800 7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.919 -0.921 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.348 -0.960 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.821 -2.763 7.159 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.970 -2.775 5.488 1.00 0.00 H new ATOM 603 N PRO A 41 4.884 4.021 7.524 1.00 0.00 N ATOM 604 CA PRO A 41 5.673 4.442 6.359 1.00 0.00 C ATOM 605 C PRO A 41 6.968 3.634 6.264 1.00 0.00 C ATOM 606 O PRO A 41 8.052 4.114 6.619 1.00 0.00 O ATOM 607 CB PRO A 41 5.913 5.925 6.623 1.00 0.00 C ATOM 608 CG PRO A 41 5.971 6.089 8.124 1.00 0.00 C ATOM 609 CD PRO A 41 5.064 4.954 8.632 1.00 0.00 C ATOM 0 HA PRO A 41 5.179 4.276 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.843 6.256 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.112 6.530 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.989 5.992 8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.607 7.067 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.516 4.453 9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.103 5.348 8.964 1.00 0.00 H new ATOM 614 N ILE A 42 6.901 2.398 5.761 1.00 0.00 N ATOM 615 CA ILE A 42 8.093 1.536 5.567 1.00 0.00 C ATOM 616 C ILE A 42 8.774 1.876 4.242 1.00 0.00 C ATOM 617 O ILE A 42 8.176 2.450 3.336 1.00 0.00 O ATOM 618 CB ILE A 42 7.821 0.035 5.775 1.00 0.00 C ATOM 619 CG1 ILE A 42 7.375 -0.661 4.441 1.00 0.00 C ATOM 620 CG2 ILE A 42 6.886 -0.132 6.944 1.00 0.00 C ATOM 621 CD1 ILE A 42 6.433 -1.866 4.561 1.00 0.00 C ATOM 0 H ILE A 42 6.026 1.959 5.474 1.00 0.00 H new ATOM 0 HA ILE A 42 8.801 1.763 6.364 1.00 0.00 H new ATOM 0 HB ILE A 42 8.737 -0.494 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.888 0.087 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.272 -0.984 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.686 -1.192 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.345 0.287 7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.950 0.387 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.205 -2.250 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.914 -2.647 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.510 -1.558 5.052 1.00 0.00 H new ATOM 632 N ASP A 43 10.015 1.425 4.088 1.00 0.00 N ATOM 633 CA ASP A 43 10.728 1.436 2.815 1.00 0.00 C ATOM 634 C ASP A 43 10.450 0.127 2.047 1.00 0.00 C ATOM 635 O ASP A 43 10.610 -0.961 2.606 1.00 0.00 O ATOM 636 CB ASP A 43 12.229 1.634 3.116 1.00 0.00 C ATOM 637 CG ASP A 43 12.996 2.041 1.825 1.00 0.00 C ATOM 638 OD1 ASP A 43 12.565 1.891 0.747 1.00 0.00 O ATOM 639 OD2 ASP A 43 14.174 2.560 2.008 1.00 0.00 O ATOM 0 H ASP A 43 10.562 1.036 4.856 1.00 0.00 H new ATOM 0 HA ASP A 43 10.388 2.251 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.354 2.403 3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.649 0.713 3.520 1.00 0.00 H new ATOM 643 N ILE A 44 10.057 0.207 0.772 1.00 0.00 N ATOM 644 CA ILE A 44 9.964 -0.967 -0.112 1.00 0.00 C ATOM 645 C ILE A 44 11.313 -1.708 -0.153 1.00 0.00 C ATOM 646 O ILE A 44 11.315 -2.933 -0.138 1.00 0.00 O ATOM 647 CB ILE A 44 9.467 -0.602 -1.527 1.00 0.00 C ATOM 648 CG1 ILE A 44 8.036 -0.031 -1.481 1.00 0.00 C ATOM 649 CG2 ILE A 44 9.546 -1.807 -2.489 1.00 0.00 C ATOM 650 CD1 ILE A 44 6.950 -1.010 -1.010 1.00 0.00 C ATOM 0 H ILE A 44 9.794 1.083 0.321 1.00 0.00 H new ATOM 0 HA ILE A 44 9.214 -1.639 0.305 1.00 0.00 H new ATOM 0 HB ILE A 44 10.131 0.171 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.030 0.836 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.773 0.325 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.188 -1.510 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.580 -2.144 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.927 -2.619 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.982 -0.509 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.918 -1.868 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.179 -1.349 0.000 1.00 0.00 H new ATOM 661 N SER A 45 12.455 -1.016 -0.135 1.00 0.00 N ATOM 662 CA SER A 45 13.781 -1.633 -0.055 1.00 0.00 C ATOM 663 C SER A 45 13.939 -2.599 1.134 1.00 0.00 C ATOM 664 O SER A 45 14.551 -3.659 0.979 1.00 0.00 O ATOM 665 CB SER A 45 14.829 -0.531 -0.064 1.00 0.00 C ATOM 666 OG SER A 45 16.100 -0.932 0.403 1.00 0.00 O ATOM 0 H SER A 45 12.485 0.003 -0.176 1.00 0.00 H new ATOM 0 HA SER A 45 13.920 -2.270 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.932 -0.152 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.474 0.297 0.550 1.00 0.00 H new ATOM 0 HG SER A 45 16.717 -0.172 0.365 1.00 0.00 H new ATOM 671 N LEU A 46 13.309 -2.316 2.284 1.00 0.00 N ATOM 672 CA LEU A 46 13.363 -3.163 3.479 1.00 0.00 C ATOM 673 C LEU A 46 12.559 -4.464 3.260 1.00 0.00 C ATOM 674 O LEU A 46 13.125 -5.557 3.343 1.00 0.00 O ATOM 675 CB LEU A 46 12.883 -2.354 4.693 1.00 0.00 C ATOM 676 CG LEU A 46 13.218 -2.970 6.073 1.00 0.00 C ATOM 677 CD1 LEU A 46 13.015 -1.894 7.161 1.00 0.00 C ATOM 678 CD2 LEU A 46 12.343 -4.166 6.460 1.00 0.00 C ATOM 0 H LEU A 46 12.740 -1.479 2.409 1.00 0.00 H new ATOM 0 HA LEU A 46 14.389 -3.473 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.323 -1.358 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.802 -2.230 4.622 1.00 0.00 H new ATOM 0 HG LEU A 46 14.247 -3.322 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.248 -2.316 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.675 -1.049 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.979 -1.556 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.645 -4.536 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.298 -3.856 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.462 -4.958 5.721 1.00 0.00 H new ATOM 689 N VAL A 47 11.269 -4.363 2.924 1.00 0.00 N ATOM 690 CA VAL A 47 10.413 -5.531 2.680 1.00 0.00 C ATOM 691 C VAL A 47 10.861 -6.357 1.481 1.00 0.00 C ATOM 692 O VAL A 47 10.815 -7.583 1.529 1.00 0.00 O ATOM 693 CB VAL A 47 8.921 -5.198 2.547 1.00 0.00 C ATOM 694 CG1 VAL A 47 8.358 -4.713 3.882 1.00 0.00 C ATOM 695 CG2 VAL A 47 8.655 -4.141 1.486 1.00 0.00 C ATOM 0 H VAL A 47 10.788 -3.470 2.813 1.00 0.00 H new ATOM 0 HA VAL A 47 10.535 -6.130 3.582 1.00 0.00 H new ATOM 0 HB VAL A 47 8.424 -6.119 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.299 -4.482 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.480 -5.493 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.893 -3.818 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.585 -3.941 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.182 -3.223 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.007 -4.500 0.519 1.00 0.00 H new ATOM 705 N LYS A 48 11.374 -5.714 0.424 1.00 0.00 N ATOM 706 CA LYS A 48 11.957 -6.357 -0.769 1.00 0.00 C ATOM 707 C LYS A 48 13.166 -7.215 -0.380 1.00 0.00 C ATOM 708 O LYS A 48 13.313 -8.325 -0.887 1.00 0.00 O ATOM 709 CB LYS A 48 12.345 -5.288 -1.817 1.00 0.00 C ATOM 710 CG LYS A 48 12.884 -5.870 -3.131 1.00 0.00 C ATOM 711 CD LYS A 48 14.140 -5.194 -3.664 1.00 0.00 C ATOM 712 CE LYS A 48 13.834 -3.886 -4.390 1.00 0.00 C ATOM 713 NZ LYS A 48 14.938 -3.511 -5.309 1.00 0.00 N ATOM 0 H LYS A 48 11.397 -4.696 0.371 1.00 0.00 H new ATOM 0 HA LYS A 48 11.210 -7.014 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.472 -4.673 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.099 -4.629 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.094 -6.929 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.103 -5.803 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.822 -4.996 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.653 -5.873 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.907 -3.988 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.678 -3.091 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.703 -2.619 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.816 -3.391 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.069 -4.261 -6.018 1.00 0.00 H new ATOM 723 N ARG A 49 14.006 -6.748 0.563 1.00 0.00 N ATOM 724 CA ARG A 49 15.129 -7.516 1.114 1.00 0.00 C ATOM 725 C ARG A 49 14.681 -8.756 1.888 1.00 0.00 C ATOM 726 O ARG A 49 15.296 -9.815 1.747 1.00 0.00 O ATOM 727 CB ARG A 49 16.032 -6.639 1.993 1.00 0.00 C ATOM 728 CG ARG A 49 17.446 -6.562 1.409 1.00 0.00 C ATOM 729 CD ARG A 49 18.449 -5.955 2.408 1.00 0.00 C ATOM 730 NE ARG A 49 19.282 -6.990 3.056 1.00 0.00 N ATOM 731 CZ ARG A 49 20.262 -7.676 2.495 1.00 0.00 C ATOM 732 NH1 ARG A 49 20.637 -7.475 1.260 1.00 0.00 N ATOM 733 NH2 ARG A 49 20.890 -8.603 3.156 1.00 0.00 N ATOM 0 H ARG A 49 13.919 -5.815 0.966 1.00 0.00 H new ATOM 0 HA ARG A 49 15.703 -7.862 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.610 -5.637 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.072 -7.047 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.776 -7.561 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.431 -5.961 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.092 -5.245 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.907 -5.396 3.171 1.00 0.00 H new ATOM 0 HE ARG A 49 19.080 -7.195 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.169 -6.768 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.398 -8.025 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.628 -8.808 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.645 -9.125 2.710 1.00 0.00 H new ATOM 744 N GLU A 50 13.618 -8.662 2.690 1.00 0.00 N ATOM 745 CA GLU A 50 13.081 -9.795 3.449 1.00 0.00 C ATOM 746 C GLU A 50 12.287 -10.796 2.588 1.00 0.00 C ATOM 747 O GLU A 50 12.354 -12.009 2.827 1.00 0.00 O ATOM 748 CB GLU A 50 12.209 -9.303 4.621 1.00 0.00 C ATOM 749 CG GLU A 50 13.046 -8.659 5.736 1.00 0.00 C ATOM 750 CD GLU A 50 12.280 -8.590 7.059 1.00 0.00 C ATOM 751 OE1 GLU A 50 11.143 -8.040 7.100 1.00 0.00 O ATOM 752 OE2 GLU A 50 12.785 -9.083 8.094 1.00 0.00 O ATOM 0 H GLU A 50 13.102 -7.793 2.832 1.00 0.00 H new ATOM 0 HA GLU A 50 13.948 -10.332 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.481 -8.580 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.646 -10.142 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.963 -9.231 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.340 -7.654 5.434 1.00 0.00 H new ATOM 757 N HIS A 51 11.580 -10.318 1.557 1.00 0.00 N ATOM 758 CA HIS A 51 10.823 -11.097 0.571 1.00 0.00 C ATOM 759 C HIS A 51 11.574 -11.309 -0.745 1.00 0.00 C ATOM 760 O HIS A 51 10.974 -11.476 -1.797 1.00 0.00 O ATOM 761 CB HIS A 51 9.381 -10.542 0.447 1.00 0.00 C ATOM 762 CG HIS A 51 8.447 -11.134 1.427 1.00 0.00 C ATOM 763 ND1 HIS A 51 7.921 -10.528 2.545 1.00 0.00 N ATOM 764 CD2 HIS A 51 7.976 -12.398 1.406 1.00 0.00 C ATOM 765 CE1 HIS A 51 7.122 -11.416 3.178 1.00 0.00 C ATOM 766 NE2 HIS A 51 7.126 -12.579 2.534 1.00 0.00 N ATOM 0 H HIS A 51 11.518 -9.316 1.378 1.00 0.00 H new ATOM 0 HA HIS A 51 10.719 -12.119 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.401 -9.460 0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.010 -10.732 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.205 -13.145 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.561 -11.210 4.078 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.623 -13.427 2.795 1.00 0.00 H new ATOM 774 N ASP A 52 12.902 -11.348 -0.711 1.00 0.00 N ATOM 775 CA ASP A 52 13.768 -11.693 -1.848 1.00 0.00 C ATOM 776 C ASP A 52 13.498 -13.080 -2.450 1.00 0.00 C ATOM 777 O ASP A 52 13.885 -13.361 -3.578 1.00 0.00 O ATOM 778 CB ASP A 52 15.252 -11.518 -1.491 1.00 0.00 C ATOM 779 CG ASP A 52 15.822 -12.771 -0.775 1.00 0.00 C ATOM 780 OD1 ASP A 52 15.481 -13.027 0.382 1.00 0.00 O ATOM 781 OD2 ASP A 52 16.607 -13.523 -1.376 1.00 0.00 O ATOM 0 H ASP A 52 13.429 -11.134 0.135 1.00 0.00 H new ATOM 0 HA ASP A 52 13.510 -10.983 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.824 -11.326 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.371 -10.646 -0.848 1.00 0.00 H new ATOM 785 N PHE A 53 12.811 -13.952 -1.704 1.00 0.00 N ATOM 786 CA PHE A 53 12.269 -15.244 -2.155 1.00 0.00 C ATOM 787 C PHE A 53 11.320 -15.082 -3.363 1.00 0.00 C ATOM 788 O PHE A 53 11.386 -15.872 -4.314 1.00 0.00 O ATOM 789 CB PHE A 53 11.516 -15.896 -0.965 1.00 0.00 C ATOM 790 CG PHE A 53 10.852 -17.213 -1.320 1.00 0.00 C ATOM 791 CD1 PHE A 53 9.555 -17.223 -1.879 1.00 0.00 C ATOM 792 CD2 PHE A 53 11.537 -18.428 -1.131 1.00 0.00 C ATOM 793 CE1 PHE A 53 8.966 -18.438 -2.278 1.00 0.00 C ATOM 794 CE2 PHE A 53 10.937 -19.640 -1.513 1.00 0.00 C ATOM 795 CZ PHE A 53 9.656 -19.648 -2.089 1.00 0.00 C ATOM 0 H PHE A 53 12.607 -13.770 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 53 13.093 -15.878 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 53 12.218 -16.060 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.758 -15.202 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.014 -16.296 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.524 -18.429 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.985 -18.440 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.464 -20.571 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.202 -20.582 -2.386 1.00 0.00 H new ATOM 804 N LEU A 54 10.441 -14.073 -3.329 1.00 0.00 N ATOM 805 CA LEU A 54 9.487 -13.757 -4.387 1.00 0.00 C ATOM 806 C LEU A 54 10.187 -13.110 -5.597 1.00 0.00 C ATOM 807 O LEU A 54 11.259 -12.517 -5.455 1.00 0.00 O ATOM 808 CB LEU A 54 8.393 -12.827 -3.843 1.00 0.00 C ATOM 809 CG LEU A 54 7.642 -13.292 -2.585 1.00 0.00 C ATOM 810 CD1 LEU A 54 6.726 -12.163 -2.104 1.00 0.00 C ATOM 811 CD2 LEU A 54 6.758 -14.514 -2.846 1.00 0.00 C ATOM 0 H LEU A 54 10.376 -13.436 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 54 9.032 -14.688 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.847 -11.860 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.661 -12.666 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 54 8.396 -13.557 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.189 -12.485 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.325 -11.283 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.010 -11.916 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.251 -14.800 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.017 -14.271 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.376 -15.343 -3.192 1.00 0.00 H new ATOM 822 N ASP A 55 9.597 -13.172 -6.779 1.00 0.00 N ATOM 823 CA ASP A 55 10.102 -12.480 -7.969 1.00 0.00 C ATOM 824 C ASP A 55 9.946 -10.960 -7.858 1.00 0.00 C ATOM 825 O ASP A 55 9.108 -10.449 -7.109 1.00 0.00 O ATOM 826 CB ASP A 55 9.390 -12.962 -9.237 1.00 0.00 C ATOM 827 CG ASP A 55 9.683 -14.441 -9.578 1.00 0.00 C ATOM 828 OD1 ASP A 55 10.840 -14.870 -9.524 1.00 0.00 O ATOM 829 OD2 ASP A 55 8.756 -15.178 -9.927 1.00 0.00 O ATOM 0 H ASP A 55 8.745 -13.707 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 55 11.163 -12.720 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.315 -12.831 -9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.693 -12.336 -10.076 1.00 0.00 H new ATOM 833 N ARG A 56 10.709 -10.206 -8.658 1.00 0.00 N ATOM 834 CA ARG A 56 10.526 -8.754 -8.859 1.00 0.00 C ATOM 835 C ARG A 56 9.107 -8.365 -9.305 1.00 0.00 C ATOM 836 O ARG A 56 8.633 -7.303 -8.930 1.00 0.00 O ATOM 837 CB ARG A 56 11.614 -8.229 -9.821 1.00 0.00 C ATOM 838 CG ARG A 56 11.420 -8.643 -11.296 1.00 0.00 C ATOM 839 CD ARG A 56 12.686 -9.171 -11.973 1.00 0.00 C ATOM 840 NE ARG A 56 12.736 -10.649 -11.983 1.00 0.00 N ATOM 841 CZ ARG A 56 12.016 -11.466 -12.735 1.00 0.00 C ATOM 842 NH1 ARG A 56 11.108 -11.029 -13.562 1.00 0.00 N ATOM 843 NH2 ARG A 56 12.169 -12.754 -12.659 1.00 0.00 N ATOM 0 H ARG A 56 11.486 -10.590 -9.196 1.00 0.00 H new ATOM 0 HA ARG A 56 10.644 -8.268 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.638 -7.141 -9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.585 -8.588 -9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.648 -9.410 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.053 -7.784 -11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.731 -8.800 -12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.563 -8.782 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 56 13.397 -11.086 -11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.933 -10.027 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.572 -11.689 -14.126 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.852 -13.149 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.606 -13.370 -13.246 1.00 0.00 H new ATOM 854 N ASP A 57 8.393 -9.230 -10.030 1.00 0.00 N ATOM 855 CA ASP A 57 6.986 -9.028 -10.412 1.00 0.00 C ATOM 856 C ASP A 57 6.048 -9.116 -9.197 1.00 0.00 C ATOM 857 O ASP A 57 5.171 -8.268 -9.037 1.00 0.00 O ATOM 858 CB ASP A 57 6.564 -10.079 -11.450 1.00 0.00 C ATOM 859 CG ASP A 57 6.839 -9.691 -12.917 1.00 0.00 C ATOM 860 OD1 ASP A 57 7.392 -8.603 -13.201 1.00 0.00 O ATOM 861 OD2 ASP A 57 6.492 -10.497 -13.813 1.00 0.00 O ATOM 0 H ASP A 57 8.780 -10.108 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 57 6.905 -8.028 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.084 -11.012 -11.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.498 -10.274 -11.335 1.00 0.00 H new ATOM 865 N ALA A 58 6.246 -10.108 -8.328 1.00 0.00 N ATOM 866 CA ALA A 58 5.497 -10.240 -7.087 1.00 0.00 C ATOM 867 C ALA A 58 5.815 -9.075 -6.125 1.00 0.00 C ATOM 868 O ALA A 58 4.894 -8.524 -5.527 1.00 0.00 O ATOM 869 CB ALA A 58 5.842 -11.579 -6.452 1.00 0.00 C ATOM 0 H ALA A 58 6.936 -10.845 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 58 4.428 -10.201 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.288 -11.693 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.574 -12.385 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.912 -11.619 -6.246 1.00 0.00 H new ATOM 875 N ILE A 59 7.085 -8.655 -6.034 1.00 0.00 N ATOM 876 CA ILE A 59 7.472 -7.466 -5.271 1.00 0.00 C ATOM 877 C ILE A 59 6.895 -6.185 -5.880 1.00 0.00 C ATOM 878 O ILE A 59 6.464 -5.344 -5.116 1.00 0.00 O ATOM 879 CB ILE A 59 8.993 -7.373 -4.969 1.00 0.00 C ATOM 880 CG1 ILE A 59 9.246 -7.338 -3.445 1.00 0.00 C ATOM 881 CG2 ILE A 59 9.724 -6.219 -5.680 1.00 0.00 C ATOM 882 CD1 ILE A 59 8.661 -6.150 -2.652 1.00 0.00 C ATOM 0 H ILE A 59 7.867 -9.129 -6.486 1.00 0.00 H new ATOM 0 HA ILE A 59 7.013 -7.581 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 59 9.427 -8.280 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.847 -8.257 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.324 -7.353 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.780 -6.235 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.625 -6.336 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.285 -5.268 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.916 -6.256 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.077 -5.218 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.577 -6.137 -2.764 1.00 0.00 H new ATOM 893 N GLU A 60 6.834 -6.015 -7.206 1.00 0.00 N ATOM 894 CA GLU A 60 6.201 -4.859 -7.864 1.00 0.00 C ATOM 895 C GLU A 60 4.685 -4.822 -7.600 1.00 0.00 C ATOM 896 O GLU A 60 4.129 -3.762 -7.305 1.00 0.00 O ATOM 897 CB GLU A 60 6.457 -4.885 -9.373 1.00 0.00 C ATOM 898 CG GLU A 60 7.863 -4.417 -9.768 1.00 0.00 C ATOM 899 CD GLU A 60 7.878 -2.958 -10.234 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.522 -2.665 -11.397 1.00 0.00 O ATOM 901 OE2 GLU A 60 8.256 -2.054 -9.437 1.00 0.00 O ATOM 0 H GLU A 60 7.229 -6.686 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 60 6.649 -3.961 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.305 -5.900 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.721 -4.252 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.535 -4.532 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.246 -5.055 -10.565 1.00 0.00 H new ATOM 906 N ALA A 61 4.007 -5.969 -7.673 1.00 0.00 N ATOM 907 CA ALA A 61 2.585 -6.110 -7.372 1.00 0.00 C ATOM 908 C ALA A 61 2.281 -5.807 -5.885 1.00 0.00 C ATOM 909 O ALA A 61 1.383 -5.009 -5.600 1.00 0.00 O ATOM 910 CB ALA A 61 2.162 -7.532 -7.768 1.00 0.00 C ATOM 0 H ALA A 61 4.445 -6.847 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 61 2.008 -5.382 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.102 -7.669 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.340 -7.681 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.743 -8.257 -7.198 1.00 0.00 H new ATOM 916 N LEU A 62 3.068 -6.369 -4.961 1.00 0.00 N ATOM 917 CA LEU A 62 2.958 -6.104 -3.533 1.00 0.00 C ATOM 918 C LEU A 62 3.283 -4.626 -3.247 1.00 0.00 C ATOM 919 O LEU A 62 2.492 -3.924 -2.628 1.00 0.00 O ATOM 920 CB LEU A 62 3.902 -7.085 -2.807 1.00 0.00 C ATOM 921 CG LEU A 62 3.652 -7.326 -1.298 1.00 0.00 C ATOM 922 CD1 LEU A 62 4.964 -7.731 -0.667 1.00 0.00 C ATOM 923 CD2 LEU A 62 3.115 -6.138 -0.501 1.00 0.00 C ATOM 0 H LEU A 62 3.809 -7.030 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 62 1.944 -6.264 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.845 -8.047 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.923 -6.721 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 62 2.874 -8.089 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.816 -7.907 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.328 -8.644 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.695 -6.935 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.981 -6.429 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.823 -5.311 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.157 -5.824 -0.916 1.00 0.00 H new ATOM 934 N CYS A 63 4.411 -4.131 -3.769 1.00 0.00 N ATOM 935 CA CYS A 63 4.817 -2.726 -3.767 1.00 0.00 C ATOM 936 C CYS A 63 3.707 -1.809 -4.258 1.00 0.00 C ATOM 937 O CYS A 63 3.528 -0.756 -3.669 1.00 0.00 O ATOM 938 CB CYS A 63 6.107 -2.538 -4.570 1.00 0.00 C ATOM 939 SG CYS A 63 6.577 -0.796 -4.759 1.00 0.00 S ATOM 0 H CYS A 63 5.097 -4.731 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 63 5.017 -2.440 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.917 -3.076 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.983 -2.984 -5.557 1.00 0.00 H new ATOM 0 HG CYS A 63 7.677 -0.716 -5.446 1.00 0.00 H new ATOM 944 N ARG A 64 2.878 -2.179 -5.240 1.00 0.00 N ATOM 945 CA ARG A 64 1.763 -1.317 -5.658 1.00 0.00 C ATOM 946 C ARG A 64 0.842 -0.927 -4.490 1.00 0.00 C ATOM 947 O ARG A 64 0.587 0.265 -4.287 1.00 0.00 O ATOM 948 CB ARG A 64 0.995 -1.967 -6.799 1.00 0.00 C ATOM 949 CG ARG A 64 -0.022 -1.002 -7.427 1.00 0.00 C ATOM 950 CD ARG A 64 -0.133 -1.238 -8.933 1.00 0.00 C ATOM 951 NE ARG A 64 -0.475 -2.636 -9.271 1.00 0.00 N ATOM 952 CZ ARG A 64 -0.070 -3.311 -10.328 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.697 -2.786 -11.234 1.00 0.00 N ATOM 954 NH2 ARG A 64 -0.439 -4.540 -10.502 1.00 0.00 N ATOM 0 H ARG A 64 2.954 -3.056 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 64 2.188 -0.381 -6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.696 -2.304 -7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.476 -2.852 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.997 -1.139 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.281 0.028 -7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.892 -0.573 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.812 -0.975 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.087 -3.128 -8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.007 -1.819 -11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.990 -3.341 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.047 -4.992 -9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.122 -5.056 -11.322 1.00 0.00 H new ATOM 965 N ARG A 65 0.434 -1.898 -3.656 1.00 0.00 N ATOM 966 CA ARG A 65 -0.364 -1.633 -2.448 1.00 0.00 C ATOM 967 C ARG A 65 0.472 -1.139 -1.271 1.00 0.00 C ATOM 968 O ARG A 65 0.039 -0.193 -0.613 1.00 0.00 O ATOM 969 CB ARG A 65 -1.153 -2.877 -2.019 1.00 0.00 C ATOM 970 CG ARG A 65 -2.238 -3.318 -3.016 1.00 0.00 C ATOM 971 CD ARG A 65 -3.186 -2.167 -3.384 1.00 0.00 C ATOM 972 NE ARG A 65 -4.473 -2.645 -3.922 1.00 0.00 N ATOM 973 CZ ARG A 65 -4.737 -3.030 -5.159 1.00 0.00 C ATOM 974 NH1 ARG A 65 -3.816 -3.098 -6.077 1.00 0.00 N ATOM 975 NH2 ARG A 65 -5.953 -3.350 -5.495 1.00 0.00 N ATOM 0 H ARG A 65 0.647 -2.885 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.053 -0.835 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.455 -3.702 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.622 -2.680 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.765 -3.701 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.813 -4.138 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.370 -1.556 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.704 -1.525 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.250 -2.683 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.853 -2.850 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.058 -3.400 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.702 -3.304 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.157 -3.647 -6.449 1.00 0.00 H new ATOM 986 N LEU A 66 1.661 -1.701 -1.041 1.00 0.00 N ATOM 987 CA LEU A 66 2.520 -1.241 0.046 1.00 0.00 C ATOM 988 C LEU A 66 3.006 0.194 -0.162 1.00 0.00 C ATOM 989 O LEU A 66 2.813 0.989 0.734 1.00 0.00 O ATOM 990 CB LEU A 66 3.653 -2.246 0.318 1.00 0.00 C ATOM 991 CG LEU A 66 3.682 -2.747 1.752 1.00 0.00 C ATOM 992 CD1 LEU A 66 2.437 -3.486 2.193 1.00 0.00 C ATOM 993 CD2 LEU A 66 4.840 -3.705 1.880 1.00 0.00 C ATOM 0 H LEU A 66 2.046 -2.469 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 66 1.919 -1.202 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.543 -3.097 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.609 -1.777 0.085 1.00 0.00 H new ATOM 0 HG LEU A 66 3.764 -1.863 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.551 -3.805 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.573 -2.826 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.289 -4.360 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.888 -4.083 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.701 -4.538 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.769 -3.187 1.641 1.00 0.00 H new ATOM 1004 N ASN A 67 3.514 0.562 -1.338 1.00 0.00 N ATOM 1005 CA ASN A 67 3.820 1.947 -1.708 1.00 0.00 C ATOM 1006 C ASN A 67 2.616 2.855 -1.497 1.00 0.00 C ATOM 1007 O ASN A 67 2.762 3.894 -0.875 1.00 0.00 O ATOM 1008 CB ASN A 67 4.297 2.019 -3.176 1.00 0.00 C ATOM 1009 CG ASN A 67 4.625 3.411 -3.679 1.00 0.00 C ATOM 1010 OD1 ASN A 67 5.233 4.239 -2.984 1.00 0.00 O ATOM 1011 ND2 ASN A 67 4.248 3.742 -4.882 1.00 0.00 N ATOM 0 H ASN A 67 3.729 -0.107 -2.077 1.00 0.00 H new ATOM 0 HA ASN A 67 4.622 2.298 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.182 1.392 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.523 1.592 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.454 4.674 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.747 3.069 -5.463 1.00 0.00 H new ATOM 1017 N THR A 68 1.421 2.475 -1.938 1.00 0.00 N ATOM 1018 CA THR A 68 0.177 3.216 -1.669 1.00 0.00 C ATOM 1019 C THR A 68 -0.048 3.434 -0.155 1.00 0.00 C ATOM 1020 O THR A 68 -0.243 4.570 0.282 1.00 0.00 O ATOM 1021 CB THR A 68 -0.990 2.484 -2.353 1.00 0.00 C ATOM 1022 OG1 THR A 68 -1.065 2.903 -3.694 1.00 0.00 O ATOM 1023 CG2 THR A 68 -2.361 2.668 -1.731 1.00 0.00 C ATOM 0 H THR A 68 1.279 1.635 -2.499 1.00 0.00 H new ATOM 0 HA THR A 68 0.248 4.219 -2.090 1.00 0.00 H new ATOM 0 HB THR A 68 -0.755 1.426 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.928 2.634 -4.073 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.098 2.104 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.345 2.307 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.626 3.725 -1.741 1.00 0.00 H new ATOM 1031 N LEU A 69 0.071 2.388 0.672 1.00 0.00 N ATOM 1032 CA LEU A 69 -0.072 2.432 2.134 1.00 0.00 C ATOM 1033 C LEU A 69 1.044 3.259 2.817 1.00 0.00 C ATOM 1034 O LEU A 69 0.748 4.139 3.624 1.00 0.00 O ATOM 1035 CB LEU A 69 -0.139 0.975 2.653 1.00 0.00 C ATOM 1036 CG LEU A 69 -1.562 0.370 2.696 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -2.505 0.710 1.546 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -1.498 -1.141 2.843 1.00 0.00 C ATOM 0 H LEU A 69 0.278 1.450 0.328 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.994 2.952 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.489 0.349 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.286 0.941 3.656 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.000 0.855 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.465 0.220 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.652 1.789 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.073 0.364 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.509 -1.547 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.960 -1.566 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.979 -1.395 3.767 1.00 0.00 H new ATOM 1049 N ASN A 70 2.299 3.047 2.417 1.00 0.00 N ATOM 1050 CA ASN A 70 3.519 3.732 2.853 1.00 0.00 C ATOM 1051 C ASN A 70 3.540 5.215 2.456 1.00 0.00 C ATOM 1052 O ASN A 70 4.081 6.061 3.163 1.00 0.00 O ATOM 1053 CB ASN A 70 4.758 3.029 2.247 1.00 0.00 C ATOM 1054 CG ASN A 70 4.946 1.571 2.594 1.00 0.00 C ATOM 1055 OD1 ASN A 70 4.489 1.072 3.614 1.00 0.00 O ATOM 1056 ND2 ASN A 70 5.618 0.817 1.773 1.00 0.00 N ATOM 0 H ASN A 70 2.506 2.331 1.721 1.00 0.00 H new ATOM 0 HA ASN A 70 3.540 3.681 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.702 3.116 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.648 3.572 2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.756 -0.171 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.007 1.214 0.918 1.00 0.00 H new ATOM 1062 N LYS A 71 2.968 5.540 1.300 1.00 0.00 N ATOM 1063 CA LYS A 71 2.789 6.904 0.761 1.00 0.00 C ATOM 1064 C LYS A 71 1.700 7.643 1.515 1.00 0.00 C ATOM 1065 O LYS A 71 1.987 8.708 2.033 1.00 0.00 O ATOM 1066 CB LYS A 71 2.537 6.859 -0.760 1.00 0.00 C ATOM 1067 CG LYS A 71 2.306 8.239 -1.379 1.00 0.00 C ATOM 1068 CD LYS A 71 2.678 8.238 -2.865 1.00 0.00 C ATOM 1069 CE LYS A 71 4.184 8.429 -3.034 1.00 0.00 C ATOM 1070 NZ LYS A 71 4.610 8.344 -4.454 1.00 0.00 N ATOM 0 H LYS A 71 2.594 4.828 0.673 1.00 0.00 H new ATOM 0 HA LYS A 71 3.710 7.467 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.390 6.388 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.669 6.230 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.261 8.525 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.902 8.984 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.370 7.298 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.143 9.035 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.472 9.399 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.711 7.672 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.639 8.480 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.360 7.409 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.129 9.083 -5.006 1.00 0.00 H new ATOM 1080 N CYS A 72 0.519 7.064 1.707 1.00 0.00 N ATOM 1081 CA CYS A 72 -0.482 7.610 2.625 1.00 0.00 C ATOM 1082 C CYS A 72 0.004 7.681 4.083 1.00 0.00 C ATOM 1083 O CYS A 72 -0.377 8.574 4.825 1.00 0.00 O ATOM 1084 CB CYS A 72 -1.782 6.822 2.471 1.00 0.00 C ATOM 1085 SG CYS A 72 -2.509 7.194 0.869 1.00 0.00 S ATOM 0 H CYS A 72 0.227 6.208 1.235 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.666 8.650 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.586 5.753 2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.477 7.083 3.269 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.615 6.525 0.729 1.00 0.00 H new ATOM 1090 N ALA A 73 0.936 6.830 4.489 1.00 0.00 N ATOM 1091 CA ALA A 73 1.590 6.870 5.793 1.00 0.00 C ATOM 1092 C ALA A 73 2.543 8.059 6.000 1.00 0.00 C ATOM 1093 O ALA A 73 2.702 8.491 7.138 1.00 0.00 O ATOM 1094 CB ALA A 73 2.284 5.536 6.022 1.00 0.00 C ATOM 0 H ALA A 73 1.270 6.066 3.901 1.00 0.00 H new ATOM 0 HA ALA A 73 0.816 7.032 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.780 5.546 6.993 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.547 4.734 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.024 5.372 5.239 1.00 0.00 H new ATOM 1100 N VAL A 74 3.158 8.623 4.952 1.00 0.00 N ATOM 1101 CA VAL A 74 3.930 9.880 5.009 1.00 0.00 C ATOM 1102 C VAL A 74 3.095 11.103 4.611 1.00 0.00 C ATOM 1103 O VAL A 74 3.304 12.183 5.143 1.00 0.00 O ATOM 1104 CB VAL A 74 5.254 9.856 4.210 1.00 0.00 C ATOM 1105 CG1 VAL A 74 6.277 8.890 4.807 1.00 0.00 C ATOM 1106 CG2 VAL A 74 5.083 9.452 2.716 1.00 0.00 C ATOM 0 H VAL A 74 3.135 8.212 4.019 1.00 0.00 H new ATOM 0 HA VAL A 74 4.203 9.970 6.060 1.00 0.00 H new ATOM 0 HB VAL A 74 5.603 10.887 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.188 8.910 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.507 9.189 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.866 7.880 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.055 9.459 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.653 8.452 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.421 10.162 2.221 1.00 0.00 H new ATOM 1116 N MET A 75 2.132 10.932 3.701 1.00 0.00 N ATOM 1117 CA MET A 75 1.252 11.972 3.144 1.00 0.00 C ATOM 1118 C MET A 75 -0.112 12.061 3.855 1.00 0.00 C ATOM 1119 O MET A 75 -1.077 12.540 3.264 1.00 0.00 O ATOM 1120 CB MET A 75 1.080 11.783 1.620 1.00 0.00 C ATOM 1121 CG MET A 75 2.346 12.041 0.795 1.00 0.00 C ATOM 1122 SD MET A 75 3.002 13.728 0.911 1.00 0.00 S ATOM 1123 CE MET A 75 3.972 13.782 -0.615 1.00 0.00 C ATOM 0 H MET A 75 1.931 10.012 3.308 1.00 0.00 H new ATOM 0 HA MET A 75 1.746 12.927 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.740 10.765 1.430 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.293 12.452 1.271 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.120 11.343 1.115 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.132 11.821 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.450 14.757 -0.708 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.735 13.004 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.316 13.617 -1.469 1.00 0.00 H new ATOM 1131 N LYS A 76 -0.220 11.634 5.112 1.00 0.00 N ATOM 1132 CA LYS A 76 -1.349 11.713 6.069 1.00 0.00 C ATOM 1133 C LYS A 76 -2.603 10.874 5.785 1.00 0.00 C ATOM 1134 O LYS A 76 -3.352 10.609 6.750 1.00 0.00 O ATOM 1135 CB LYS A 76 -1.637 13.193 6.419 1.00 0.00 C ATOM 1136 CG LYS A 76 -2.769 13.857 5.610 1.00 0.00 C ATOM 1137 CD LYS A 76 -2.490 15.327 5.216 1.00 0.00 C ATOM 1138 CE LYS A 76 -1.420 15.407 4.125 1.00 0.00 C ATOM 1139 NZ LYS A 76 -1.293 16.771 3.555 1.00 0.00 N ATOM 1140 OXT LYS A 76 -2.901 10.511 4.619 1.00 0.00 O ATOM 0 H LYS A 76 0.574 11.165 5.548 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.995 11.190 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.886 13.256 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.723 13.768 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.941 13.276 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.689 13.817 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.410 15.794 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.164 15.887 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.460 15.098 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.665 14.705 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.556 16.773 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.200 17.058 3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.033 17.439 4.308 1.00 0.00 H new TER 1150 LYS A 76