USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-4.9!) USER MOD Set 1.2: A 73 SER OG : rot -144:sc=0.000794 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -10.5! C(o=-9.2!,f=-16!) USER MOD Set 2.2: A 48 SER OG : rot -16:sc= 1.35 USER MOD Single : A 1 ASN : amide:sc= -0.0774 X(o=-0.077,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ 147:sc= 0.0317 (180deg=-0.209) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -121:sc= -3.03! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 146:sc= -0.7 (180deg=-2.27!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.114 USER MOD Single : A 23 THR OG1 : rot 37:sc= 0.971 USER MOD Single : A 25 SER OG : rot 72:sc= -0.279 USER MOD Single : A 27 TYR OH : rot 82:sc= 0.0498 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 33 SER OG : rot 180:sc= 0.17 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00478 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= -3.62! (180deg=-3.78!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -3.53! X(o=-3.5!,f=-3.5) USER MOD Single : A 65 LYS NZ :NH3+ 127:sc= 0.32 (180deg=-1.78!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.455 USER MOD Single : A 70 GLN : amide:sc=-0.00678 K(o=-0.0068,f=-0.89) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 107:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.666 4.141 -5.320 1.00 0.00 N ATOM 2 CA ASN A 1 -1.847 3.131 -4.659 1.00 0.00 C ATOM 3 C ASN A 1 -0.387 3.249 -5.086 1.00 0.00 C ATOM 4 O ASN A 1 -0.089 3.658 -6.208 1.00 0.00 O ATOM 5 CB ASN A 1 -2.373 1.730 -4.980 1.00 0.00 C ATOM 6 CG ASN A 1 -2.596 1.522 -6.465 1.00 0.00 C ATOM 7 OD1 ASN A 1 -1.656 1.248 -7.212 1.00 0.00 O ATOM 8 ND2 ASN A 1 -3.843 1.652 -6.901 1.00 0.00 N ATOM 0 H1 ASN A 1 -3.618 3.758 -5.492 1.00 0.00 H new ATOM 0 H2 ASN A 1 -2.736 4.983 -4.713 1.00 0.00 H new ATOM 0 H3 ASN A 1 -2.229 4.403 -6.227 1.00 0.00 H new ATOM 0 HA ASN A 1 -1.906 3.297 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -1.665 0.986 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -3.310 1.566 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -4.053 1.524 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -4.591 1.880 -6.246 1.00 0.00 H new ATOM 15 N TYR A 2 0.519 2.886 -4.184 1.00 0.00 N ATOM 16 CA TYR A 2 1.947 2.952 -4.467 1.00 0.00 C ATOM 17 C TYR A 2 2.535 1.555 -4.635 1.00 0.00 C ATOM 18 O TYR A 2 3.739 1.393 -4.835 1.00 0.00 O ATOM 19 CB TYR A 2 2.676 3.692 -3.344 1.00 0.00 C ATOM 20 CG TYR A 2 1.805 4.686 -2.608 1.00 0.00 C ATOM 21 CD1 TYR A 2 1.881 6.045 -2.888 1.00 0.00 C ATOM 22 CD2 TYR A 2 0.909 4.266 -1.634 1.00 0.00 C ATOM 23 CE1 TYR A 2 1.088 6.957 -2.217 1.00 0.00 C ATOM 24 CE2 TYR A 2 0.112 5.170 -0.960 1.00 0.00 C ATOM 25 CZ TYR A 2 0.205 6.515 -1.255 1.00 0.00 C ATOM 26 OH TYR A 2 -0.587 7.419 -0.584 1.00 0.00 O ATOM 0 H TYR A 2 0.289 2.543 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 2 2.081 3.497 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 2 3.063 2.963 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.535 4.215 -3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.571 6.394 -3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.834 3.214 -1.400 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.160 8.010 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.581 4.826 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 2 -1.153 6.944 0.059 1.00 0.00 H new ATOM 36 N THR A 3 1.674 0.545 -4.555 1.00 0.00 N ATOM 37 CA THR A 3 2.105 -0.840 -4.698 1.00 0.00 C ATOM 38 C THR A 3 1.330 -1.546 -5.805 1.00 0.00 C ATOM 39 O THR A 3 0.109 -1.422 -5.895 1.00 0.00 O ATOM 40 CB THR A 3 1.928 -1.622 -3.383 1.00 0.00 C ATOM 41 OG1 THR A 3 0.631 -2.227 -3.343 1.00 0.00 O ATOM 42 CG2 THR A 3 2.104 -0.707 -2.181 1.00 0.00 C ATOM 0 H THR A 3 0.674 0.661 -4.392 1.00 0.00 H new ATOM 0 HA THR A 3 3.163 -0.816 -4.958 1.00 0.00 H new ATOM 0 HB THR A 3 2.692 -2.399 -3.343 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.142 -1.901 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.974 -1.282 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.103 -0.272 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.361 0.089 -2.218 1.00 0.00 H new ATOM 50 N GLU A 4 2.046 -2.288 -6.643 1.00 0.00 N ATOM 51 CA GLU A 4 1.423 -3.014 -7.744 1.00 0.00 C ATOM 52 C GLU A 4 0.077 -3.593 -7.321 1.00 0.00 C ATOM 53 O GLU A 4 0.007 -4.698 -6.783 1.00 0.00 O ATOM 54 CB GLU A 4 2.344 -4.135 -8.229 1.00 0.00 C ATOM 55 CG GLU A 4 1.641 -5.164 -9.099 1.00 0.00 C ATOM 56 CD GLU A 4 2.613 -6.068 -9.834 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.179 -6.762 -10.777 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.806 -6.082 -9.466 1.00 0.00 O ATOM 0 H GLU A 4 3.058 -2.403 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 4 1.256 -2.312 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.169 -3.698 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.778 -4.637 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.984 -5.772 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.009 -4.651 -9.824 1.00 0.00 H new ATOM 65 N GLU A 5 -0.989 -2.837 -7.565 1.00 0.00 N ATOM 66 CA GLU A 5 -2.333 -3.276 -7.208 1.00 0.00 C ATOM 67 C GLU A 5 -2.623 -4.662 -7.775 1.00 0.00 C ATOM 68 O GLU A 5 -1.956 -5.116 -8.706 1.00 0.00 O ATOM 69 CB GLU A 5 -3.372 -2.276 -7.721 1.00 0.00 C ATOM 70 CG GLU A 5 -4.643 -2.240 -6.888 1.00 0.00 C ATOM 71 CD GLU A 5 -5.750 -1.442 -7.549 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.617 -1.124 -8.750 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.750 -1.134 -6.867 1.00 0.00 O ATOM 0 H GLU A 5 -0.948 -1.919 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.393 -3.328 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.929 -1.280 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.629 -2.527 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.988 -3.259 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.421 -1.808 -5.912 1.00 0.00 H new ATOM 80 N LEU A 6 -3.620 -5.331 -7.208 1.00 0.00 N ATOM 81 CA LEU A 6 -3.999 -6.666 -7.656 1.00 0.00 C ATOM 82 C LEU A 6 -5.478 -6.717 -8.029 1.00 0.00 C ATOM 83 O LEU A 6 -6.351 -6.589 -7.170 1.00 0.00 O ATOM 84 CB LEU A 6 -3.702 -7.696 -6.565 1.00 0.00 C ATOM 85 CG LEU A 6 -2.261 -7.735 -6.055 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.017 -8.997 -5.241 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.282 -7.650 -7.216 1.00 0.00 C ATOM 0 H LEU A 6 -4.181 -4.971 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.411 -6.904 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.361 -7.500 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.958 -8.684 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.102 -6.873 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.986 -9.008 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.695 -9.016 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.195 -9.873 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.261 -7.679 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.442 -8.492 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.440 -6.718 -7.758 1.00 0.00 H new ATOM 99 N LYS A 7 -5.751 -6.906 -9.315 1.00 0.00 N ATOM 100 CA LYS A 7 -7.124 -6.979 -9.803 1.00 0.00 C ATOM 101 C LYS A 7 -8.019 -7.706 -8.806 1.00 0.00 C ATOM 102 O LYS A 7 -9.221 -7.451 -8.734 1.00 0.00 O ATOM 103 CB LYS A 7 -7.169 -7.689 -11.158 1.00 0.00 C ATOM 104 CG LYS A 7 -8.466 -7.470 -11.917 1.00 0.00 C ATOM 105 CD LYS A 7 -8.436 -6.175 -12.711 1.00 0.00 C ATOM 106 CE LYS A 7 -8.666 -6.425 -14.194 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.434 -5.197 -15.006 1.00 0.00 N ATOM 0 H LYS A 7 -5.040 -7.012 -10.039 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.495 -5.961 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.337 -7.340 -11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.024 -8.758 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.639 -8.308 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.300 -7.448 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.201 -5.497 -12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.474 -5.682 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.001 -7.218 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.686 -6.776 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.601 -5.408 -16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.086 -4.448 -14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.453 -4.876 -14.878 1.00 0.00 H new ATOM 121 N VAL A 8 -7.424 -8.613 -8.036 1.00 0.00 N ATOM 122 CA VAL A 8 -8.167 -9.375 -7.041 1.00 0.00 C ATOM 123 C VAL A 8 -7.323 -9.623 -5.796 1.00 0.00 C ATOM 124 O VAL A 8 -6.104 -9.780 -5.863 1.00 0.00 O ATOM 125 CB VAL A 8 -8.638 -10.729 -7.606 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.183 -10.558 -9.016 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.501 -11.739 -7.585 1.00 0.00 C ATOM 0 H VAL A 8 -6.430 -8.837 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.039 -8.779 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.442 -11.107 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.511 -11.524 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.027 -9.869 -8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.402 -10.158 -9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.851 -12.690 -7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.675 -11.370 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.161 -11.883 -6.559 1.00 0.00 H new ATOM 137 N PRO A 9 -7.985 -9.662 -4.629 1.00 0.00 N ATOM 138 CA PRO A 9 -7.315 -9.892 -3.346 1.00 0.00 C ATOM 139 C PRO A 9 -6.797 -11.319 -3.211 1.00 0.00 C ATOM 140 O PRO A 9 -7.513 -12.291 -3.451 1.00 0.00 O ATOM 141 CB PRO A 9 -8.418 -9.623 -2.318 1.00 0.00 C ATOM 142 CG PRO A 9 -9.689 -9.888 -3.048 1.00 0.00 C ATOM 143 CD PRO A 9 -9.439 -9.484 -4.474 1.00 0.00 C ATOM 0 HA PRO A 9 -6.436 -9.259 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.317 -10.274 -1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.378 -8.597 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.964 -10.941 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.512 -9.316 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.997 -10.108 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.739 -8.453 -4.658 1.00 0.00 H new ATOM 151 N PRO A 10 -5.521 -11.451 -2.818 1.00 0.00 N ATOM 152 CA PRO A 10 -4.878 -12.756 -2.641 1.00 0.00 C ATOM 153 C PRO A 10 -5.430 -13.515 -1.439 1.00 0.00 C ATOM 154 O PRO A 10 -6.495 -13.184 -0.918 1.00 0.00 O ATOM 155 CB PRO A 10 -3.407 -12.400 -2.418 1.00 0.00 C ATOM 156 CG PRO A 10 -3.430 -11.014 -1.871 1.00 0.00 C ATOM 157 CD PRO A 10 -4.608 -10.335 -2.514 1.00 0.00 C ATOM 0 HA PRO A 10 -5.047 -13.413 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.934 -13.092 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.843 -12.449 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.530 -11.024 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.503 -10.488 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.069 -9.610 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.318 -9.796 -3.416 1.00 0.00 H new ATOM 165 N ASP A 11 -4.699 -14.536 -1.003 1.00 0.00 N ATOM 166 CA ASP A 11 -5.115 -15.343 0.139 1.00 0.00 C ATOM 167 C ASP A 11 -4.149 -15.170 1.307 1.00 0.00 C ATOM 168 O ASP A 11 -4.054 -16.033 2.178 1.00 0.00 O ATOM 169 CB ASP A 11 -5.200 -16.818 -0.256 1.00 0.00 C ATOM 170 CG ASP A 11 -5.678 -17.695 0.886 1.00 0.00 C ATOM 171 OD1 ASP A 11 -6.583 -17.261 1.629 1.00 0.00 O ATOM 172 OD2 ASP A 11 -5.147 -18.815 1.033 1.00 0.00 O ATOM 0 H ASP A 11 -3.815 -14.824 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.101 -15.002 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.878 -16.926 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.219 -17.160 -0.587 1.00 0.00 H new ATOM 177 N GLU A 12 -3.432 -14.050 1.315 1.00 0.00 N ATOM 178 CA GLU A 12 -2.472 -13.766 2.375 1.00 0.00 C ATOM 179 C GLU A 12 -3.164 -13.146 3.585 1.00 0.00 C ATOM 180 O GLU A 12 -2.646 -13.189 4.701 1.00 0.00 O ATOM 181 CB GLU A 12 -1.377 -12.828 1.863 1.00 0.00 C ATOM 182 CG GLU A 12 -0.550 -13.417 0.733 1.00 0.00 C ATOM 183 CD GLU A 12 0.608 -14.259 1.234 1.00 0.00 C ATOM 184 OE1 GLU A 12 0.394 -15.069 2.159 1.00 0.00 O ATOM 185 OE2 GLU A 12 1.727 -14.105 0.701 1.00 0.00 O ATOM 0 H GLU A 12 -3.498 -13.326 0.600 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.019 -14.709 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.836 -11.900 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.715 -12.570 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.192 -14.029 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.164 -12.609 0.111 1.00 0.00 H new ATOM 192 N ASP A 13 -4.339 -12.568 3.355 1.00 0.00 N ATOM 193 CA ASP A 13 -5.103 -11.939 4.426 1.00 0.00 C ATOM 194 C ASP A 13 -4.352 -10.741 4.999 1.00 0.00 C ATOM 195 O ASP A 13 -3.145 -10.806 5.232 1.00 0.00 O ATOM 196 CB ASP A 13 -5.397 -12.950 5.534 1.00 0.00 C ATOM 197 CG ASP A 13 -5.487 -12.301 6.902 1.00 0.00 C ATOM 198 OD1 ASP A 13 -4.433 -12.136 7.550 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.611 -11.958 7.322 1.00 0.00 O ATOM 0 H ASP A 13 -4.782 -12.522 2.437 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.046 -11.587 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.334 -13.462 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.615 -13.709 5.546 1.00 0.00 H new ATOM 204 N CYS A 14 -5.074 -9.648 5.223 1.00 0.00 N ATOM 205 CA CYS A 14 -4.476 -8.435 5.767 1.00 0.00 C ATOM 206 C CYS A 14 -3.648 -8.747 7.010 1.00 0.00 C ATOM 207 O CYS A 14 -3.741 -9.838 7.572 1.00 0.00 O ATOM 208 CB CYS A 14 -5.564 -7.415 6.108 1.00 0.00 C ATOM 209 SG CYS A 14 -4.936 -5.733 6.415 1.00 0.00 S ATOM 0 H CYS A 14 -6.074 -9.578 5.036 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.816 -8.013 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.283 -7.379 5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.104 -7.757 6.991 1.00 0.00 H new ATOM 214 N ILE A 15 -2.838 -7.782 7.431 1.00 0.00 N ATOM 215 CA ILE A 15 -1.994 -7.953 8.608 1.00 0.00 C ATOM 216 C ILE A 15 -2.254 -6.856 9.635 1.00 0.00 C ATOM 217 O ILE A 15 -1.849 -6.967 10.793 1.00 0.00 O ATOM 218 CB ILE A 15 -0.501 -7.947 8.235 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.327 -7.714 6.732 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.155 -9.256 8.651 1.00 0.00 C ATOM 221 CD1 ILE A 15 -0.688 -8.916 5.889 1.00 0.00 C ATOM 0 H ILE A 15 -2.748 -6.874 6.975 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.248 -8.920 9.041 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.013 -7.131 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.946 -6.869 6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.709 -7.438 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.211 -9.236 8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.059 -9.384 9.729 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.334 -10.086 8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.541 -8.679 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.052 -9.757 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.732 -9.179 6.059 1.00 0.00 H new ATOM 233 N ILE A 16 -2.935 -5.799 9.204 1.00 0.00 N ATOM 234 CA ILE A 16 -3.251 -4.683 10.087 1.00 0.00 C ATOM 235 C ILE A 16 -4.474 -4.992 10.944 1.00 0.00 C ATOM 236 O ILE A 16 -4.375 -5.114 12.166 1.00 0.00 O ATOM 237 CB ILE A 16 -3.509 -3.391 9.291 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.496 -3.256 8.153 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.444 -2.180 10.211 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.617 -2.031 8.267 1.00 0.00 C ATOM 0 H ILE A 16 -3.278 -5.692 8.249 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.385 -4.535 10.732 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.508 -3.442 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.865 -4.145 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.031 -3.222 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.628 -1.274 9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.200 -2.274 10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.456 -2.124 10.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.924 -2.001 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.238 -1.135 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.054 -2.072 9.200 1.00 0.00 H new ATOM 252 N CYS A 17 -5.627 -5.117 10.297 1.00 0.00 N ATOM 253 CA CYS A 17 -6.870 -5.414 10.999 1.00 0.00 C ATOM 254 C CYS A 17 -7.043 -6.917 11.190 1.00 0.00 C ATOM 255 O CYS A 17 -7.987 -7.367 11.839 1.00 0.00 O ATOM 256 CB CYS A 17 -8.064 -4.846 10.228 1.00 0.00 C ATOM 257 SG CYS A 17 -8.276 -5.553 8.561 1.00 0.00 S ATOM 0 H CYS A 17 -5.727 -5.017 9.287 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.823 -4.945 11.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.972 -5.022 10.804 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.946 -3.766 10.141 1.00 0.00 H new ATOM 262 N MET A 18 -6.124 -7.690 10.620 1.00 0.00 N ATOM 263 CA MET A 18 -6.173 -9.144 10.729 1.00 0.00 C ATOM 264 C MET A 18 -7.482 -9.687 10.164 1.00 0.00 C ATOM 265 O MET A 18 -8.123 -10.542 10.774 1.00 0.00 O ATOM 266 CB MET A 18 -6.018 -9.572 12.189 1.00 0.00 C ATOM 267 CG MET A 18 -4.576 -9.836 12.594 1.00 0.00 C ATOM 268 SD MET A 18 -4.412 -11.259 13.689 1.00 0.00 S ATOM 269 CE MET A 18 -5.317 -12.500 12.768 1.00 0.00 C ATOM 0 H MET A 18 -5.337 -7.334 10.078 1.00 0.00 H new ATOM 0 HA MET A 18 -5.348 -9.556 10.148 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.432 -8.796 12.833 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.606 -10.474 12.359 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.976 -10.000 11.699 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.174 -8.952 13.090 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.856 -13.476 12.922 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.350 -12.529 13.114 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.297 -12.252 11.707 1.00 0.00 H new ATOM 279 N GLU A 19 -7.871 -9.184 8.997 1.00 0.00 N ATOM 280 CA GLU A 19 -9.105 -9.619 8.352 1.00 0.00 C ATOM 281 C GLU A 19 -8.834 -10.105 6.931 1.00 0.00 C ATOM 282 O GLU A 19 -7.795 -9.796 6.344 1.00 0.00 O ATOM 283 CB GLU A 19 -10.124 -8.477 8.326 1.00 0.00 C ATOM 284 CG GLU A 19 -10.406 -7.883 9.695 1.00 0.00 C ATOM 285 CD GLU A 19 -11.792 -8.225 10.206 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.556 -7.288 10.520 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.113 -9.429 10.292 1.00 0.00 O ATOM 0 H GLU A 19 -7.351 -8.476 8.479 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.514 -10.448 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.759 -7.690 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.057 -8.844 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.662 -8.245 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.298 -6.799 9.646 1.00 0.00 H new ATOM 294 N LYS A 20 -9.774 -10.867 6.383 1.00 0.00 N ATOM 295 CA LYS A 20 -9.639 -11.396 5.030 1.00 0.00 C ATOM 296 C LYS A 20 -9.337 -10.279 4.037 1.00 0.00 C ATOM 297 O LYS A 20 -9.999 -9.240 4.035 1.00 0.00 O ATOM 298 CB LYS A 20 -10.917 -12.128 4.618 1.00 0.00 C ATOM 299 CG LYS A 20 -11.037 -13.523 5.208 1.00 0.00 C ATOM 300 CD LYS A 20 -12.050 -14.364 4.451 1.00 0.00 C ATOM 301 CE LYS A 20 -12.095 -15.791 4.977 1.00 0.00 C ATOM 302 NZ LYS A 20 -12.769 -15.871 6.303 1.00 0.00 N ATOM 0 H LYS A 20 -10.638 -11.133 6.855 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.806 -12.099 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.779 -11.537 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.951 -12.198 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.064 -14.014 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.332 -13.452 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.038 -13.912 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.797 -14.374 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.621 -16.425 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.080 -16.180 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.780 -16.859 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.253 -15.286 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.746 -15.524 6.217 1.00 0.00 H new ATOM 316 N LEU A 21 -8.336 -10.499 3.192 1.00 0.00 N ATOM 317 CA LEU A 21 -7.947 -9.511 2.191 1.00 0.00 C ATOM 318 C LEU A 21 -9.061 -9.305 1.170 1.00 0.00 C ATOM 319 O LEU A 21 -8.968 -8.434 0.303 1.00 0.00 O ATOM 320 CB LEU A 21 -6.666 -9.951 1.483 1.00 0.00 C ATOM 321 CG LEU A 21 -5.372 -9.293 1.964 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.201 -9.713 1.090 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.516 -7.778 1.974 1.00 0.00 C ATOM 0 H LEU A 21 -7.779 -11.353 3.180 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.766 -8.565 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.565 -11.030 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.777 -9.751 0.417 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.175 -9.627 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.290 -9.234 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.084 -10.796 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.389 -9.410 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.586 -7.326 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.738 -7.427 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.327 -7.494 2.644 1.00 0.00 H new ATOM 335 N SER A 22 -10.115 -10.107 1.280 1.00 0.00 N ATOM 336 CA SER A 22 -11.246 -10.012 0.365 1.00 0.00 C ATOM 337 C SER A 22 -12.268 -8.996 0.866 1.00 0.00 C ATOM 338 O SER A 22 -12.777 -8.179 0.099 1.00 0.00 O ATOM 339 CB SER A 22 -11.911 -11.381 0.199 1.00 0.00 C ATOM 340 OG SER A 22 -13.133 -11.444 0.914 1.00 0.00 O ATOM 0 H SER A 22 -10.209 -10.830 1.994 1.00 0.00 H new ATOM 0 HA SER A 22 -10.871 -9.677 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.094 -11.574 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.238 -12.161 0.554 1.00 0.00 H new ATOM 0 HG SER A 22 -13.539 -12.327 0.791 1.00 0.00 H new ATOM 346 N THR A 23 -12.562 -9.052 2.161 1.00 0.00 N ATOM 347 CA THR A 23 -13.522 -8.139 2.768 1.00 0.00 C ATOM 348 C THR A 23 -13.143 -6.687 2.503 1.00 0.00 C ATOM 349 O THR A 23 -13.504 -6.118 1.473 1.00 0.00 O ATOM 350 CB THR A 23 -13.627 -8.361 4.289 1.00 0.00 C ATOM 351 OG1 THR A 23 -12.411 -8.932 4.785 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.797 -9.276 4.622 1.00 0.00 C ATOM 0 H THR A 23 -12.148 -9.721 2.810 1.00 0.00 H new ATOM 0 HA THR A 23 -14.489 -8.349 2.311 1.00 0.00 H new ATOM 0 HB THR A 23 -13.795 -7.395 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.649 -8.552 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.852 -9.419 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.724 -8.825 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.654 -10.241 4.135 1.00 0.00 H new ATOM 360 N ALA A 24 -12.410 -6.091 3.439 1.00 0.00 N ATOM 361 CA ALA A 24 -11.978 -4.706 3.305 1.00 0.00 C ATOM 362 C ALA A 24 -11.177 -4.260 4.523 1.00 0.00 C ATOM 363 O ALA A 24 -10.916 -5.050 5.430 1.00 0.00 O ATOM 364 CB ALA A 24 -13.181 -3.795 3.100 1.00 0.00 C ATOM 0 H ALA A 24 -12.103 -6.547 4.298 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.330 -4.637 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.843 -2.763 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.712 -4.091 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.850 -3.878 3.957 1.00 0.00 H new ATOM 370 N SER A 25 -10.788 -2.989 4.537 1.00 0.00 N ATOM 371 CA SER A 25 -10.011 -2.440 5.642 1.00 0.00 C ATOM 372 C SER A 25 -10.836 -2.412 6.925 1.00 0.00 C ATOM 373 O SER A 25 -11.981 -1.962 6.930 1.00 0.00 O ATOM 374 CB SER A 25 -9.529 -1.028 5.301 1.00 0.00 C ATOM 375 OG SER A 25 -9.370 -0.248 6.474 1.00 0.00 O ATOM 0 H SER A 25 -10.998 -2.320 3.796 1.00 0.00 H new ATOM 0 HA SER A 25 -9.146 -3.084 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.581 -1.083 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.245 -0.547 4.634 1.00 0.00 H new ATOM 0 HG SER A 25 -8.588 -0.564 6.973 1.00 0.00 H new ATOM 381 N GLY A 26 -10.244 -2.898 8.013 1.00 0.00 N ATOM 382 CA GLY A 26 -10.938 -2.920 9.286 1.00 0.00 C ATOM 383 C GLY A 26 -10.935 -1.568 9.973 1.00 0.00 C ATOM 384 O GLY A 26 -11.832 -1.260 10.758 1.00 0.00 O ATOM 0 H GLY A 26 -9.297 -3.276 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.968 -3.242 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.470 -3.657 9.939 1.00 0.00 H new ATOM 388 N TYR A 27 -9.923 -0.759 9.678 1.00 0.00 N ATOM 389 CA TYR A 27 -9.804 0.566 10.275 1.00 0.00 C ATOM 390 C TYR A 27 -10.626 1.590 9.497 1.00 0.00 C ATOM 391 O TYR A 27 -10.707 2.756 9.880 1.00 0.00 O ATOM 392 CB TYR A 27 -8.338 0.999 10.319 1.00 0.00 C ATOM 393 CG TYR A 27 -7.473 0.123 11.197 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.033 -0.892 11.965 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.098 0.309 11.259 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.247 -1.694 12.769 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.304 -0.490 12.059 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.884 -1.490 12.813 1.00 0.00 C ATOM 399 OH TYR A 27 -5.096 -2.287 13.612 1.00 0.00 O ATOM 0 H TYR A 27 -9.173 -0.998 9.029 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.191 0.514 11.293 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.936 0.993 9.306 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.282 2.027 10.678 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.100 -1.056 11.932 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.641 1.092 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.698 -2.477 13.360 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.236 -0.333 12.094 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.901 -3.127 13.146 1.00 0.00 H new ATOM 409 N SER A 28 -11.235 1.142 8.404 1.00 0.00 N ATOM 410 CA SER A 28 -12.049 2.018 7.570 1.00 0.00 C ATOM 411 C SER A 28 -12.883 2.965 8.427 1.00 0.00 C ATOM 412 O SER A 28 -13.263 4.049 7.985 1.00 0.00 O ATOM 413 CB SER A 28 -12.963 1.191 6.665 1.00 0.00 C ATOM 414 OG SER A 28 -14.297 1.668 6.715 1.00 0.00 O ATOM 0 H SER A 28 -11.180 0.178 8.075 1.00 0.00 H new ATOM 0 HA SER A 28 -11.379 2.614 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.597 1.231 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.935 0.146 6.972 1.00 0.00 H new ATOM 0 HG SER A 28 -14.861 1.124 6.127 1.00 0.00 H new ATOM 420 N ASP A 29 -13.165 2.546 9.655 1.00 0.00 N ATOM 421 CA ASP A 29 -13.954 3.354 10.577 1.00 0.00 C ATOM 422 C ASP A 29 -13.238 4.662 10.901 1.00 0.00 C ATOM 423 O ASP A 29 -13.767 5.747 10.660 1.00 0.00 O ATOM 424 CB ASP A 29 -14.229 2.577 11.865 1.00 0.00 C ATOM 425 CG ASP A 29 -15.551 1.837 11.823 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.123 1.581 12.905 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.016 1.515 10.710 1.00 0.00 O ATOM 0 H ASP A 29 -12.859 1.651 10.036 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.903 3.588 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.422 1.864 12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.229 3.267 12.709 1.00 0.00 H new ATOM 432 N VAL A 30 -12.033 4.551 11.452 1.00 0.00 N ATOM 433 CA VAL A 30 -11.245 5.724 11.809 1.00 0.00 C ATOM 434 C VAL A 30 -9.842 5.645 11.218 1.00 0.00 C ATOM 435 O VAL A 30 -8.925 5.099 11.834 1.00 0.00 O ATOM 436 CB VAL A 30 -11.138 5.884 13.337 1.00 0.00 C ATOM 437 CG1 VAL A 30 -12.272 6.749 13.865 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.135 4.523 14.016 1.00 0.00 C ATOM 0 H VAL A 30 -11.582 3.660 11.661 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.762 6.590 11.395 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.196 6.382 13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.179 6.850 14.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.223 7.735 13.403 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.227 6.283 13.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.059 4.655 15.095 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.059 3.996 13.779 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.285 3.941 13.661 1.00 0.00 H new ATOM 448 N THR A 31 -9.679 6.192 10.018 1.00 0.00 N ATOM 449 CA THR A 31 -8.388 6.184 9.341 1.00 0.00 C ATOM 450 C THR A 31 -8.225 7.409 8.452 1.00 0.00 C ATOM 451 O THR A 31 -9.186 7.878 7.841 1.00 0.00 O ATOM 452 CB THR A 31 -8.211 4.915 8.485 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.490 4.356 8.167 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.370 3.880 9.218 1.00 0.00 C ATOM 0 H THR A 31 -10.426 6.647 9.494 1.00 0.00 H new ATOM 0 HA THR A 31 -7.624 6.199 10.118 1.00 0.00 H new ATOM 0 HB THR A 31 -7.697 5.194 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.843 3.882 8.949 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.259 2.993 8.594 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.386 4.297 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.861 3.607 10.152 1.00 0.00 H new ATOM 462 N ASP A 32 -7.002 7.925 8.381 1.00 0.00 N ATOM 463 CA ASP A 32 -6.712 9.097 7.563 1.00 0.00 C ATOM 464 C ASP A 32 -6.452 8.698 6.114 1.00 0.00 C ATOM 465 O ASP A 32 -5.451 9.098 5.519 1.00 0.00 O ATOM 466 CB ASP A 32 -5.505 9.850 8.122 1.00 0.00 C ATOM 467 CG ASP A 32 -4.190 9.187 7.759 1.00 0.00 C ATOM 468 OD1 ASP A 32 -4.188 7.960 7.526 1.00 0.00 O ATOM 469 OD2 ASP A 32 -3.164 9.896 7.706 1.00 0.00 O ATOM 0 H ASP A 32 -6.196 7.550 8.880 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.583 9.752 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.510 10.872 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.590 9.912 9.207 1.00 0.00 H new ATOM 474 N SER A 33 -7.360 7.906 5.551 1.00 0.00 N ATOM 475 CA SER A 33 -7.226 7.449 4.174 1.00 0.00 C ATOM 476 C SER A 33 -7.267 8.626 3.204 1.00 0.00 C ATOM 477 O SER A 33 -8.186 9.445 3.242 1.00 0.00 O ATOM 478 CB SER A 33 -8.338 6.454 3.834 1.00 0.00 C ATOM 479 OG SER A 33 -9.293 6.381 4.879 1.00 0.00 O ATOM 0 H SER A 33 -8.196 7.568 6.028 1.00 0.00 H new ATOM 0 HA SER A 33 -6.261 6.952 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.829 6.755 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.908 5.468 3.661 1.00 0.00 H new ATOM 0 HG SER A 33 -9.994 5.740 4.637 1.00 0.00 H new ATOM 485 N LYS A 34 -6.266 8.703 2.334 1.00 0.00 N ATOM 486 CA LYS A 34 -6.186 9.778 1.352 1.00 0.00 C ATOM 487 C LYS A 34 -6.961 9.419 0.089 1.00 0.00 C ATOM 488 O LYS A 34 -7.971 10.046 -0.230 1.00 0.00 O ATOM 489 CB LYS A 34 -4.725 10.069 1.002 1.00 0.00 C ATOM 490 CG LYS A 34 -4.428 11.546 0.811 1.00 0.00 C ATOM 491 CD LYS A 34 -4.431 12.291 2.136 1.00 0.00 C ATOM 492 CE LYS A 34 -4.145 13.772 1.943 1.00 0.00 C ATOM 493 NZ LYS A 34 -2.932 14.205 2.690 1.00 0.00 N ATOM 0 H LYS A 34 -5.498 8.033 2.289 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.633 10.671 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.086 9.678 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.465 9.534 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.458 11.664 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.171 11.984 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.398 12.167 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.682 11.858 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.011 13.981 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.004 14.354 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.771 15.220 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.069 14.030 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.107 13.668 2.354 1.00 0.00 H new ATOM 507 N ALA A 35 -6.482 8.406 -0.626 1.00 0.00 N ATOM 508 CA ALA A 35 -7.132 7.962 -1.853 1.00 0.00 C ATOM 509 C ALA A 35 -7.278 6.444 -1.878 1.00 0.00 C ATOM 510 O ALA A 35 -7.700 5.867 -2.882 1.00 0.00 O ATOM 511 CB ALA A 35 -6.350 8.440 -3.068 1.00 0.00 C ATOM 0 H ALA A 35 -5.646 7.877 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.131 8.397 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.847 8.101 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.303 9.529 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.340 8.033 -3.034 1.00 0.00 H new ATOM 517 N LEU A 36 -6.925 5.802 -0.770 1.00 0.00 N ATOM 518 CA LEU A 36 -7.016 4.350 -0.665 1.00 0.00 C ATOM 519 C LEU A 36 -8.435 3.918 -0.309 1.00 0.00 C ATOM 520 O LEU A 36 -8.699 2.736 -0.094 1.00 0.00 O ATOM 521 CB LEU A 36 -6.034 3.832 0.386 1.00 0.00 C ATOM 522 CG LEU A 36 -4.684 4.546 0.453 1.00 0.00 C ATOM 523 CD1 LEU A 36 -3.654 3.677 1.157 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.206 4.916 -0.943 1.00 0.00 C ATOM 0 H LEU A 36 -6.573 6.264 0.068 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.758 3.924 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.509 3.903 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.854 2.774 0.196 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.809 5.464 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.700 4.202 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.991 3.463 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.532 2.742 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.244 5.423 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.098 4.012 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.933 5.578 -1.413 1.00 0.00 H new ATOM 536 N GLY A 37 -9.346 4.885 -0.252 1.00 0.00 N ATOM 537 CA GLY A 37 -10.727 4.583 0.076 1.00 0.00 C ATOM 538 C GLY A 37 -10.850 3.542 1.171 1.00 0.00 C ATOM 539 O GLY A 37 -10.730 3.857 2.354 1.00 0.00 O ATOM 0 H GLY A 37 -9.152 5.871 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.231 5.497 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.240 4.228 -0.818 1.00 0.00 H new ATOM 543 N SER A 38 -11.091 2.296 0.775 1.00 0.00 N ATOM 544 CA SER A 38 -11.235 1.203 1.731 1.00 0.00 C ATOM 545 C SER A 38 -11.571 -0.102 1.017 1.00 0.00 C ATOM 546 O SER A 38 -12.493 -0.819 1.409 1.00 0.00 O ATOM 547 CB SER A 38 -12.324 1.534 2.752 1.00 0.00 C ATOM 548 OG SER A 38 -13.424 2.182 2.136 1.00 0.00 O ATOM 0 H SER A 38 -11.191 2.018 -0.201 1.00 0.00 H new ATOM 0 HA SER A 38 -10.285 1.078 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.663 0.618 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.912 2.174 3.533 1.00 0.00 H new ATOM 0 HG SER A 38 -14.106 2.381 2.811 1.00 0.00 H new ATOM 554 N LEU A 39 -10.816 -0.406 -0.033 1.00 0.00 N ATOM 555 CA LEU A 39 -11.032 -1.626 -0.803 1.00 0.00 C ATOM 556 C LEU A 39 -9.996 -1.759 -1.915 1.00 0.00 C ATOM 557 O LEU A 39 -10.339 -2.006 -3.071 1.00 0.00 O ATOM 558 CB LEU A 39 -12.441 -1.634 -1.400 1.00 0.00 C ATOM 559 CG LEU A 39 -12.877 -2.935 -2.074 1.00 0.00 C ATOM 560 CD1 LEU A 39 -13.829 -3.709 -1.174 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.527 -2.647 -3.419 1.00 0.00 C ATOM 0 H LEU A 39 -10.049 0.175 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.925 -2.475 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.152 -1.404 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.508 -0.829 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.992 -3.548 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.129 -4.632 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.329 -3.947 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.712 -3.103 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.831 -3.585 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.402 -2.014 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.814 -2.135 -4.066 1.00 0.00 H new ATOM 573 N ALA A 40 -8.727 -1.595 -1.557 1.00 0.00 N ATOM 574 CA ALA A 40 -7.640 -1.700 -2.523 1.00 0.00 C ATOM 575 C ALA A 40 -6.507 -2.566 -1.982 1.00 0.00 C ATOM 576 O ALA A 40 -5.822 -2.187 -1.032 1.00 0.00 O ATOM 577 CB ALA A 40 -7.123 -0.317 -2.887 1.00 0.00 C ATOM 0 H ALA A 40 -8.426 -1.389 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.030 -2.178 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.312 -0.410 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.931 0.270 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.755 0.182 -1.990 1.00 0.00 H new ATOM 583 N VAL A 41 -6.316 -3.731 -2.592 1.00 0.00 N ATOM 584 CA VAL A 41 -5.266 -4.651 -2.172 1.00 0.00 C ATOM 585 C VAL A 41 -4.010 -4.475 -3.020 1.00 0.00 C ATOM 586 O VAL A 41 -4.038 -4.663 -4.235 1.00 0.00 O ATOM 587 CB VAL A 41 -5.732 -6.115 -2.262 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.740 -7.036 -1.568 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.122 -6.269 -1.665 1.00 0.00 C ATOM 0 H VAL A 41 -6.875 -4.060 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.036 -4.415 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.779 -6.398 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.087 -8.067 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.764 -6.946 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.657 -6.756 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.436 -7.310 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.104 -5.967 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.824 -5.640 -2.212 1.00 0.00 H new ATOM 599 N GLY A 42 -2.908 -4.115 -2.369 1.00 0.00 N ATOM 600 CA GLY A 42 -1.658 -3.920 -3.079 1.00 0.00 C ATOM 601 C GLY A 42 -0.463 -4.442 -2.304 1.00 0.00 C ATOM 602 O GLY A 42 -0.361 -4.234 -1.094 1.00 0.00 O ATOM 0 H GLY A 42 -2.859 -3.955 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.709 -4.424 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.520 -2.858 -3.281 1.00 0.00 H new ATOM 606 N HIS A 43 0.441 -5.123 -3.001 1.00 0.00 N ATOM 607 CA HIS A 43 1.633 -5.677 -2.369 1.00 0.00 C ATOM 608 C HIS A 43 2.800 -4.698 -2.460 1.00 0.00 C ATOM 609 O HIS A 43 3.357 -4.480 -3.536 1.00 0.00 O ATOM 610 CB HIS A 43 2.012 -7.005 -3.026 1.00 0.00 C ATOM 611 CG HIS A 43 2.334 -6.882 -4.483 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.599 -6.597 -4.953 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.548 -7.008 -5.577 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.576 -6.552 -6.274 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.343 -6.799 -6.677 1.00 0.00 N ATOM 0 H HIS A 43 0.371 -5.304 -4.002 1.00 0.00 H new ATOM 0 HA HIS A 43 1.410 -5.852 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.873 -7.425 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.190 -7.710 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.491 -7.231 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.421 -6.348 -6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.032 -6.830 -7.648 1.00 0.00 H new ATOM 623 N LEU A 44 3.164 -4.114 -1.324 1.00 0.00 N ATOM 624 CA LEU A 44 4.265 -3.158 -1.275 1.00 0.00 C ATOM 625 C LEU A 44 5.397 -3.583 -2.205 1.00 0.00 C ATOM 626 O LEU A 44 5.905 -4.702 -2.113 1.00 0.00 O ATOM 627 CB LEU A 44 4.788 -3.025 0.156 1.00 0.00 C ATOM 628 CG LEU A 44 5.040 -1.600 0.649 1.00 0.00 C ATOM 629 CD1 LEU A 44 6.142 -1.585 1.699 1.00 0.00 C ATOM 630 CD2 LEU A 44 5.399 -0.689 -0.515 1.00 0.00 C ATOM 0 H LEU A 44 2.713 -4.285 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 44 3.889 -2.191 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.073 -3.499 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.720 -3.585 0.234 1.00 0.00 H new ATOM 0 HG LEU A 44 4.124 -1.227 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.308 -0.562 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.846 -2.205 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.062 -1.977 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.575 0.321 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.301 -1.059 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.579 -0.675 -1.233 1.00 0.00 H new ATOM 642 N THR A 45 5.791 -2.683 -3.099 1.00 0.00 N ATOM 643 CA THR A 45 6.864 -2.963 -4.046 1.00 0.00 C ATOM 644 C THR A 45 8.156 -3.323 -3.321 1.00 0.00 C ATOM 645 O THR A 45 8.972 -4.090 -3.831 1.00 0.00 O ATOM 646 CB THR A 45 7.127 -1.759 -4.970 1.00 0.00 C ATOM 647 OG1 THR A 45 7.967 -0.807 -4.308 1.00 0.00 O ATOM 648 CG2 THR A 45 5.821 -1.094 -5.377 1.00 0.00 C ATOM 0 H THR A 45 5.383 -1.752 -3.188 1.00 0.00 H new ATOM 0 HA THR A 45 6.539 -3.811 -4.649 1.00 0.00 H new ATOM 0 HB THR A 45 7.627 -2.121 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.131 -0.046 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.032 -0.247 -6.029 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.196 -1.813 -5.907 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.297 -0.745 -4.487 1.00 0.00 H new ATOM 656 N LYS A 46 8.335 -2.768 -2.128 1.00 0.00 N ATOM 657 CA LYS A 46 9.526 -3.032 -1.330 1.00 0.00 C ATOM 658 C LYS A 46 9.752 -4.532 -1.171 1.00 0.00 C ATOM 659 O LYS A 46 10.713 -5.086 -1.705 1.00 0.00 O ATOM 660 CB LYS A 46 9.401 -2.376 0.046 1.00 0.00 C ATOM 661 CG LYS A 46 10.435 -1.292 0.300 1.00 0.00 C ATOM 662 CD LYS A 46 9.856 0.096 0.073 1.00 0.00 C ATOM 663 CE LYS A 46 9.921 0.939 1.336 1.00 0.00 C ATOM 664 NZ LYS A 46 11.144 1.790 1.372 1.00 0.00 N ATOM 0 H LYS A 46 7.669 -2.131 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 46 10.383 -2.606 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.404 -1.946 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.495 -3.143 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.802 -1.371 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.290 -1.442 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.404 0.594 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.820 0.010 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.036 1.572 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.906 0.287 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.152 2.350 2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.989 1.185 1.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.146 2.430 0.552 1.00 0.00 H new ATOM 678 N CYS A 47 8.860 -5.185 -0.433 1.00 0.00 N ATOM 679 CA CYS A 47 8.961 -6.621 -0.203 1.00 0.00 C ATOM 680 C CYS A 47 8.075 -7.391 -1.179 1.00 0.00 C ATOM 681 O CYS A 47 8.451 -8.458 -1.665 1.00 0.00 O ATOM 682 CB CYS A 47 8.566 -6.958 1.236 1.00 0.00 C ATOM 683 SG CYS A 47 6.957 -6.271 1.745 1.00 0.00 S ATOM 0 H CYS A 47 8.059 -4.742 0.016 1.00 0.00 H new ATOM 0 HA CYS A 47 9.997 -6.918 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.539 -8.042 1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.338 -6.586 1.910 1.00 0.00 H new ATOM 688 N SER A 48 6.899 -6.842 -1.462 1.00 0.00 N ATOM 689 CA SER A 48 5.958 -7.478 -2.376 1.00 0.00 C ATOM 690 C SER A 48 5.137 -8.545 -1.657 1.00 0.00 C ATOM 691 O SER A 48 5.326 -9.742 -1.875 1.00 0.00 O ATOM 692 CB SER A 48 6.705 -8.103 -3.557 1.00 0.00 C ATOM 693 OG SER A 48 5.994 -7.913 -4.768 1.00 0.00 O ATOM 0 H SER A 48 6.575 -5.957 -1.071 1.00 0.00 H new ATOM 0 HA SER A 48 5.278 -6.712 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.697 -7.659 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.847 -9.169 -3.378 1.00 0.00 H new ATOM 0 HG SER A 48 5.070 -7.655 -4.568 1.00 0.00 H new ATOM 699 N HIS A 49 4.226 -8.100 -0.797 1.00 0.00 N ATOM 700 CA HIS A 49 3.376 -9.016 -0.045 1.00 0.00 C ATOM 701 C HIS A 49 1.905 -8.804 -0.395 1.00 0.00 C ATOM 702 O HIS A 49 1.427 -9.285 -1.422 1.00 0.00 O ATOM 703 CB HIS A 49 3.586 -8.823 1.457 1.00 0.00 C ATOM 704 CG HIS A 49 4.933 -9.269 1.935 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.253 -9.395 3.270 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.044 -9.624 1.248 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.504 -9.805 3.384 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.006 -9.951 2.171 1.00 0.00 N ATOM 0 H HIS A 49 4.058 -7.113 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 49 3.653 -10.035 -0.316 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.453 -7.769 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.817 -9.375 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.153 -9.646 0.174 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.027 -9.989 4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.955 -10.257 1.955 1.00 0.00 H new ATOM 716 N ALA A 50 1.195 -8.081 0.463 1.00 0.00 N ATOM 717 CA ALA A 50 -0.219 -7.805 0.244 1.00 0.00 C ATOM 718 C ALA A 50 -0.916 -7.430 1.548 1.00 0.00 C ATOM 719 O ALA A 50 -0.744 -8.097 2.568 1.00 0.00 O ATOM 720 CB ALA A 50 -0.899 -9.008 -0.393 1.00 0.00 C ATOM 0 H ALA A 50 1.576 -7.675 1.318 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.296 -6.956 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.955 -8.788 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.427 -9.228 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.803 -9.871 0.266 1.00 0.00 H new ATOM 726 N PHE A 51 -1.700 -6.359 1.508 1.00 0.00 N ATOM 727 CA PHE A 51 -2.420 -5.894 2.687 1.00 0.00 C ATOM 728 C PHE A 51 -3.309 -4.701 2.347 1.00 0.00 C ATOM 729 O PHE A 51 -2.986 -3.903 1.466 1.00 0.00 O ATOM 730 CB PHE A 51 -1.436 -5.511 3.794 1.00 0.00 C ATOM 731 CG PHE A 51 0.000 -5.543 3.357 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.851 -6.545 3.798 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.501 -4.572 2.504 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.173 -6.578 3.397 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.822 -4.601 2.100 1.00 0.00 C ATOM 736 CZ PHE A 51 2.660 -5.603 2.548 1.00 0.00 C ATOM 0 H PHE A 51 -1.853 -5.796 0.671 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.053 -6.708 3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.676 -4.510 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.566 -6.191 4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.476 -7.309 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.148 -3.784 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.825 -7.365 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.199 -3.840 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.694 -5.624 2.235 1.00 0.00 H new ATOM 746 N HIS A 52 -4.430 -4.586 3.052 1.00 0.00 N ATOM 747 CA HIS A 52 -5.367 -3.491 2.825 1.00 0.00 C ATOM 748 C HIS A 52 -4.637 -2.151 2.787 1.00 0.00 C ATOM 749 O HIS A 52 -4.313 -1.579 3.829 1.00 0.00 O ATOM 750 CB HIS A 52 -6.436 -3.471 3.917 1.00 0.00 C ATOM 751 CG HIS A 52 -7.323 -4.679 3.909 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.798 -5.271 5.060 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.820 -5.404 2.881 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.549 -6.309 4.739 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.579 -6.412 3.423 1.00 0.00 N ATOM 0 H HIS A 52 -4.712 -5.237 3.785 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.848 -3.651 1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.949 -3.394 4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.050 -2.579 3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.651 -5.224 1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.053 -6.963 5.435 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -9.084 -7.124 2.895 1.00 0.00 H new ATOM 763 N LEU A 53 -4.379 -1.657 1.581 1.00 0.00 N ATOM 764 CA LEU A 53 -3.687 -0.385 1.408 1.00 0.00 C ATOM 765 C LEU A 53 -4.087 0.606 2.497 1.00 0.00 C ATOM 766 O LEU A 53 -3.250 1.055 3.280 1.00 0.00 O ATOM 767 CB LEU A 53 -3.996 0.203 0.029 1.00 0.00 C ATOM 768 CG LEU A 53 -3.086 -0.253 -1.112 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.577 0.305 -2.440 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.649 0.174 -0.852 1.00 0.00 C ATOM 0 H LEU A 53 -4.639 -2.118 0.709 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.616 -0.569 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.024 -0.049 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.942 1.289 0.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.117 -1.341 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.918 -0.029 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.590 -0.050 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.576 1.394 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.016 -0.159 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.601 1.260 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.299 -0.273 0.079 1.00 0.00 H new ATOM 782 N LEU A 54 -5.372 0.940 2.541 1.00 0.00 N ATOM 783 CA LEU A 54 -5.884 1.877 3.535 1.00 0.00 C ATOM 784 C LEU A 54 -5.273 1.604 4.906 1.00 0.00 C ATOM 785 O LEU A 54 -4.638 2.475 5.500 1.00 0.00 O ATOM 786 CB LEU A 54 -7.409 1.782 3.616 1.00 0.00 C ATOM 787 CG LEU A 54 -8.045 2.281 4.914 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.239 3.434 5.495 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.487 2.704 4.673 1.00 0.00 C ATOM 0 H LEU A 54 -6.078 0.576 1.901 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.604 2.884 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.833 2.348 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.696 0.741 3.471 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.043 1.464 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.707 3.776 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.223 3.098 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.209 4.254 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.924 3.056 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.512 3.506 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.059 1.853 4.303 1.00 0.00 H new ATOM 801 N CYS A 55 -5.468 0.387 5.403 1.00 0.00 N ATOM 802 CA CYS A 55 -4.935 -0.003 6.704 1.00 0.00 C ATOM 803 C CYS A 55 -3.501 0.491 6.874 1.00 0.00 C ATOM 804 O CYS A 55 -3.206 1.271 7.780 1.00 0.00 O ATOM 805 CB CYS A 55 -4.985 -1.524 6.862 1.00 0.00 C ATOM 806 SG CYS A 55 -6.661 -2.192 7.113 1.00 0.00 S ATOM 0 H CYS A 55 -5.991 -0.346 4.925 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.552 0.457 7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.551 -1.985 5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.361 -1.811 7.708 1.00 0.00 H new ATOM 811 N LEU A 56 -2.616 0.031 5.998 1.00 0.00 N ATOM 812 CA LEU A 56 -1.212 0.426 6.050 1.00 0.00 C ATOM 813 C LEU A 56 -1.077 1.932 6.253 1.00 0.00 C ATOM 814 O LEU A 56 -0.470 2.387 7.223 1.00 0.00 O ATOM 815 CB LEU A 56 -0.495 0.007 4.766 1.00 0.00 C ATOM 816 CG LEU A 56 -0.441 -1.496 4.487 1.00 0.00 C ATOM 817 CD1 LEU A 56 -1.746 -1.970 3.864 1.00 0.00 C ATOM 818 CD2 LEU A 56 0.736 -1.828 3.583 1.00 0.00 C ATOM 0 H LEU A 56 -2.845 -0.616 5.243 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.750 -0.079 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.986 0.495 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.526 0.386 4.804 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.304 -2.018 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.690 -3.042 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.570 -1.767 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.914 -1.442 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.759 -2.901 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.630 -1.296 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.664 -1.525 4.068 1.00 0.00 H new ATOM 830 N LEU A 57 -1.649 2.701 5.333 1.00 0.00 N ATOM 831 CA LEU A 57 -1.596 4.157 5.412 1.00 0.00 C ATOM 832 C LEU A 57 -1.802 4.633 6.847 1.00 0.00 C ATOM 833 O LEU A 57 -1.367 5.723 7.218 1.00 0.00 O ATOM 834 CB LEU A 57 -2.656 4.775 4.499 1.00 0.00 C ATOM 835 CG LEU A 57 -2.275 6.094 3.826 1.00 0.00 C ATOM 836 CD1 LEU A 57 -0.928 5.970 3.133 1.00 0.00 C ATOM 837 CD2 LEU A 57 -3.350 6.518 2.836 1.00 0.00 C ATOM 0 H LEU A 57 -2.155 2.341 4.524 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.608 4.479 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.904 4.052 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.561 4.937 5.084 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.195 6.862 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.674 6.918 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.164 5.714 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.979 5.189 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.062 7.459 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.463 5.750 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.296 6.649 3.361 1.00 0.00 H new ATOM 849 N ALA A 58 -2.465 3.807 7.649 1.00 0.00 N ATOM 850 CA ALA A 58 -2.725 4.141 9.043 1.00 0.00 C ATOM 851 C ALA A 58 -1.441 4.101 9.865 1.00 0.00 C ATOM 852 O ALA A 58 -0.972 5.129 10.352 1.00 0.00 O ATOM 853 CB ALA A 58 -3.760 3.192 9.630 1.00 0.00 C ATOM 0 H ALA A 58 -2.832 2.901 7.357 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.118 5.157 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.944 3.454 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.689 3.273 9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.389 2.169 9.573 1.00 0.00 H new ATOM 859 N MET A 59 -0.879 2.906 10.017 1.00 0.00 N ATOM 860 CA MET A 59 0.352 2.733 10.782 1.00 0.00 C ATOM 861 C MET A 59 1.562 3.193 9.975 1.00 0.00 C ATOM 862 O MET A 59 2.676 3.264 10.494 1.00 0.00 O ATOM 863 CB MET A 59 0.522 1.269 11.188 1.00 0.00 C ATOM 864 CG MET A 59 0.204 0.286 10.072 1.00 0.00 C ATOM 865 SD MET A 59 1.477 -0.975 9.873 1.00 0.00 S ATOM 866 CE MET A 59 1.861 -0.798 8.132 1.00 0.00 C ATOM 0 H MET A 59 -1.255 2.044 9.622 1.00 0.00 H new ATOM 0 HA MET A 59 0.282 3.346 11.680 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.548 1.110 11.520 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.125 1.060 12.040 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.751 -0.197 10.280 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.088 0.831 9.135 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.648 -1.501 7.860 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.969 -1.004 7.540 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.200 0.219 7.936 1.00 0.00 H new ATOM 876 N TYR A 60 1.335 3.505 8.703 1.00 0.00 N ATOM 877 CA TYR A 60 2.408 3.956 7.824 1.00 0.00 C ATOM 878 C TYR A 60 3.003 5.270 8.321 1.00 0.00 C ATOM 879 O TYR A 60 4.119 5.638 7.953 1.00 0.00 O ATOM 880 CB TYR A 60 1.889 4.125 6.396 1.00 0.00 C ATOM 881 CG TYR A 60 2.228 5.464 5.782 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.234 6.398 5.512 1.00 0.00 C ATOM 883 CD2 TYR A 60 3.540 5.797 5.474 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.538 7.623 4.951 1.00 0.00 C ATOM 885 CE2 TYR A 60 3.855 7.021 4.914 1.00 0.00 C ATOM 886 CZ TYR A 60 2.850 7.930 4.655 1.00 0.00 C ATOM 887 OH TYR A 60 3.159 9.149 4.096 1.00 0.00 O ATOM 0 H TYR A 60 0.418 3.454 8.258 1.00 0.00 H new ATOM 0 HA TYR A 60 3.192 3.198 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.304 3.333 5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.806 3.998 6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.206 6.161 5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.329 5.087 5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.753 8.336 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.881 7.264 4.681 1.00 0.00 H new ATOM 0 HH TYR A 60 4.126 9.207 3.951 1.00 0.00 H new ATOM 897 N CYS A 61 2.249 5.974 9.158 1.00 0.00 N ATOM 898 CA CYS A 61 2.699 7.249 9.705 1.00 0.00 C ATOM 899 C CYS A 61 3.886 7.049 10.642 1.00 0.00 C ATOM 900 O CYS A 61 4.517 8.012 11.075 1.00 0.00 O ATOM 901 CB CYS A 61 1.557 7.940 10.451 1.00 0.00 C ATOM 902 SG CYS A 61 1.161 9.591 9.828 1.00 0.00 S ATOM 0 H CYS A 61 1.323 5.683 9.473 1.00 0.00 H new ATOM 0 HA CYS A 61 3.015 7.881 8.875 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.666 7.316 10.388 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.819 8.015 11.506 1.00 0.00 H new ATOM 0 HG CYS A 61 0.182 10.093 10.521 1.00 0.00 H new ATOM 908 N ASN A 62 4.183 5.791 10.952 1.00 0.00 N ATOM 909 CA ASN A 62 5.293 5.464 11.839 1.00 0.00 C ATOM 910 C ASN A 62 6.576 5.235 11.046 1.00 0.00 C ATOM 911 O ASN A 62 7.595 5.879 11.293 1.00 0.00 O ATOM 912 CB ASN A 62 4.963 4.221 12.668 1.00 0.00 C ATOM 913 CG ASN A 62 5.494 4.312 14.085 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.539 3.748 14.406 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.772 5.025 14.941 1.00 0.00 N ATOM 0 H ASN A 62 3.670 4.982 10.602 1.00 0.00 H new ATOM 0 HA ASN A 62 5.449 6.309 12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.882 4.083 12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.384 3.341 12.181 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.078 5.122 15.909 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.911 5.476 14.631 1.00 0.00 H new ATOM 922 N GLY A 63 6.516 4.313 10.089 1.00 0.00 N ATOM 923 CA GLY A 63 7.679 4.016 9.273 1.00 0.00 C ATOM 924 C GLY A 63 7.435 4.280 7.800 1.00 0.00 C ATOM 925 O GLY A 63 6.444 4.905 7.431 1.00 0.00 O ATOM 0 H GLY A 63 5.684 3.767 9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.521 4.619 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.959 2.972 9.411 1.00 0.00 H new ATOM 929 N ASN A 64 8.346 3.803 6.957 1.00 0.00 N ATOM 930 CA ASN A 64 8.227 3.992 5.516 1.00 0.00 C ATOM 931 C ASN A 64 7.622 5.356 5.195 1.00 0.00 C ATOM 932 O ASN A 64 6.630 5.454 4.474 1.00 0.00 O ATOM 933 CB ASN A 64 7.368 2.884 4.904 1.00 0.00 C ATOM 934 CG ASN A 64 8.153 1.610 4.662 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.097 1.302 5.389 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.765 0.863 3.634 1.00 0.00 N ATOM 0 H ASN A 64 9.174 3.283 7.247 1.00 0.00 H new ATOM 0 HA ASN A 64 9.227 3.947 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.530 2.670 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.948 3.233 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.256 -0.005 3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.976 1.158 3.058 1.00 0.00 H new ATOM 943 N LYS A 65 8.229 6.408 5.736 1.00 0.00 N ATOM 944 CA LYS A 65 7.754 7.767 5.507 1.00 0.00 C ATOM 945 C LYS A 65 8.401 8.367 4.263 1.00 0.00 C ATOM 946 O LYS A 65 9.568 8.756 4.285 1.00 0.00 O ATOM 947 CB LYS A 65 8.053 8.645 6.724 1.00 0.00 C ATOM 948 CG LYS A 65 6.838 8.910 7.596 1.00 0.00 C ATOM 949 CD LYS A 65 6.708 7.873 8.699 1.00 0.00 C ATOM 950 CE LYS A 65 7.556 8.236 9.909 1.00 0.00 C ATOM 951 NZ LYS A 65 8.878 7.553 9.887 1.00 0.00 N ATOM 0 H LYS A 65 9.051 6.345 6.336 1.00 0.00 H new ATOM 0 HA LYS A 65 6.676 7.727 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.825 8.166 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.460 9.597 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.915 9.904 8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.938 8.903 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.663 7.788 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.012 6.897 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.706 9.315 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.023 7.965 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.635 8.258 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.928 6.868 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.997 7.055 8.981 1.00 0.00 H new ATOM 965 N ASP A 66 7.634 8.439 3.180 1.00 0.00 N ATOM 966 CA ASP A 66 8.132 8.995 1.927 1.00 0.00 C ATOM 967 C ASP A 66 6.980 9.484 1.054 1.00 0.00 C ATOM 968 O ASP A 66 7.017 10.594 0.524 1.00 0.00 O ATOM 969 CB ASP A 66 8.952 7.949 1.171 1.00 0.00 C ATOM 970 CG ASP A 66 10.225 8.526 0.582 1.00 0.00 C ATOM 971 OD1 ASP A 66 11.204 8.699 1.339 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.242 8.803 -0.635 1.00 0.00 O ATOM 0 H ASP A 66 6.666 8.120 3.145 1.00 0.00 H new ATOM 0 HA ASP A 66 8.771 9.845 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.205 7.132 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.345 7.524 0.371 1.00 0.00 H new ATOM 977 N GLY A 67 5.958 8.646 0.907 1.00 0.00 N ATOM 978 CA GLY A 67 4.811 9.010 0.096 1.00 0.00 C ATOM 979 C GLY A 67 3.974 7.809 -0.297 1.00 0.00 C ATOM 980 O GLY A 67 3.383 7.783 -1.376 1.00 0.00 O ATOM 0 H GLY A 67 5.904 7.722 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.190 9.717 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.154 9.520 -0.804 1.00 0.00 H new ATOM 984 N SER A 68 3.927 6.811 0.579 1.00 0.00 N ATOM 985 CA SER A 68 3.160 5.599 0.314 1.00 0.00 C ATOM 986 C SER A 68 2.701 4.950 1.617 1.00 0.00 C ATOM 987 O SER A 68 1.672 5.324 2.181 1.00 0.00 O ATOM 988 CB SER A 68 3.999 4.606 -0.494 1.00 0.00 C ATOM 989 OG SER A 68 5.270 4.410 0.101 1.00 0.00 O ATOM 0 H SER A 68 4.410 6.817 1.477 1.00 0.00 H new ATOM 0 HA SER A 68 2.279 5.876 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.475 3.653 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.124 4.974 -1.512 1.00 0.00 H new ATOM 0 HG SER A 68 5.786 3.770 -0.433 1.00 0.00 H new ATOM 995 N LEU A 69 3.472 3.978 2.090 1.00 0.00 N ATOM 996 CA LEU A 69 3.146 3.277 3.328 1.00 0.00 C ATOM 997 C LEU A 69 4.156 2.168 3.607 1.00 0.00 C ATOM 998 O LEU A 69 5.035 1.896 2.791 1.00 0.00 O ATOM 999 CB LEU A 69 1.735 2.690 3.248 1.00 0.00 C ATOM 1000 CG LEU A 69 1.441 1.813 2.030 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.802 2.637 0.922 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.714 1.146 1.533 1.00 0.00 C ATOM 0 H LEU A 69 4.327 3.657 1.636 1.00 0.00 H new ATOM 0 HA LEU A 69 3.188 3.996 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.557 2.100 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.020 3.512 3.260 1.00 0.00 H new ATOM 0 HG LEU A 69 0.739 1.034 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.600 1.997 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.132 3.068 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.480 3.437 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.485 0.526 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.439 1.910 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.131 0.523 2.324 1.00 0.00 H new ATOM 1014 N GLN A 70 4.020 1.530 4.766 1.00 0.00 N ATOM 1015 CA GLN A 70 4.919 0.450 5.152 1.00 0.00 C ATOM 1016 C GLN A 70 4.193 -0.891 5.151 1.00 0.00 C ATOM 1017 O GLN A 70 2.967 -0.944 5.260 1.00 0.00 O ATOM 1018 CB GLN A 70 5.512 0.721 6.536 1.00 0.00 C ATOM 1019 CG GLN A 70 5.262 -0.397 7.535 1.00 0.00 C ATOM 1020 CD GLN A 70 5.986 -0.178 8.849 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.059 0.423 8.887 1.00 0.00 O ATOM 1022 NE2 GLN A 70 5.399 -0.666 9.936 1.00 0.00 N ATOM 0 H GLN A 70 3.296 1.743 5.453 1.00 0.00 H new ATOM 0 HA GLN A 70 5.726 0.406 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.587 0.875 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.091 1.647 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.191 -0.478 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.582 -1.345 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.509 -1.158 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.838 -0.549 10.849 1.00 0.00 H new ATOM 1031 N CYS A 71 4.955 -1.971 5.028 1.00 0.00 N ATOM 1032 CA CYS A 71 4.385 -3.312 5.011 1.00 0.00 C ATOM 1033 C CYS A 71 4.189 -3.839 6.431 1.00 0.00 C ATOM 1034 O CYS A 71 5.146 -4.055 7.176 1.00 0.00 O ATOM 1035 CB CYS A 71 5.286 -4.265 4.223 1.00 0.00 C ATOM 1036 SG CYS A 71 4.920 -6.029 4.489 1.00 0.00 S ATOM 0 H CYS A 71 5.971 -1.944 4.938 1.00 0.00 H new ATOM 0 HA CYS A 71 3.412 -3.258 4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.191 -4.042 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.324 -4.075 4.497 1.00 0.00 H new ATOM 1041 N PRO A 72 2.922 -4.048 6.815 1.00 0.00 N ATOM 1042 CA PRO A 72 2.572 -4.551 8.146 1.00 0.00 C ATOM 1043 C PRO A 72 2.974 -6.009 8.340 1.00 0.00 C ATOM 1044 O PRO A 72 3.222 -6.451 9.462 1.00 0.00 O ATOM 1045 CB PRO A 72 1.048 -4.407 8.191 1.00 0.00 C ATOM 1046 CG PRO A 72 0.622 -4.453 6.764 1.00 0.00 C ATOM 1047 CD PRO A 72 1.733 -3.811 5.979 1.00 0.00 C ATOM 0 HA PRO A 72 3.089 -4.006 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.591 -5.212 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.752 -3.470 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.458 -5.480 6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.317 -3.919 6.620 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.840 -4.261 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.554 -2.747 5.827 1.00 0.00 H new ATOM 1055 N SER A 73 3.039 -6.752 7.239 1.00 0.00 N ATOM 1056 CA SER A 73 3.409 -8.161 7.289 1.00 0.00 C ATOM 1057 C SER A 73 4.785 -8.340 7.925 1.00 0.00 C ATOM 1058 O SER A 73 4.902 -8.821 9.052 1.00 0.00 O ATOM 1059 CB SER A 73 3.404 -8.762 5.881 1.00 0.00 C ATOM 1060 OG SER A 73 3.472 -10.176 5.931 1.00 0.00 O ATOM 0 H SER A 73 2.840 -6.401 6.302 1.00 0.00 H new ATOM 0 HA SER A 73 2.674 -8.682 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.500 -8.456 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.250 -8.374 5.313 1.00 0.00 H new ATOM 0 HG SER A 73 4.012 -10.504 5.182 1.00 0.00 H new ATOM 1066 N CYS A 74 5.822 -7.949 7.194 1.00 0.00 N ATOM 1067 CA CYS A 74 7.191 -8.064 7.684 1.00 0.00 C ATOM 1068 C CYS A 74 7.762 -6.694 8.033 1.00 0.00 C ATOM 1069 O CYS A 74 8.964 -6.459 7.908 1.00 0.00 O ATOM 1070 CB CYS A 74 8.074 -8.745 6.637 1.00 0.00 C ATOM 1071 SG CYS A 74 8.375 -7.737 5.149 1.00 0.00 S ATOM 0 H CYS A 74 5.741 -7.549 6.259 1.00 0.00 H new ATOM 0 HA CYS A 74 7.176 -8.672 8.588 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.032 -8.996 7.093 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.607 -9.684 6.339 1.00 0.00 H new ATOM 1076 N LYS A 75 6.891 -5.790 8.470 1.00 0.00 N ATOM 1077 CA LYS A 75 7.307 -4.443 8.840 1.00 0.00 C ATOM 1078 C LYS A 75 8.191 -3.831 7.759 1.00 0.00 C ATOM 1079 O LYS A 75 9.099 -3.051 8.050 1.00 0.00 O ATOM 1080 CB LYS A 75 8.056 -4.465 10.174 1.00 0.00 C ATOM 1081 CG LYS A 75 7.193 -4.889 11.350 1.00 0.00 C ATOM 1082 CD LYS A 75 6.105 -3.868 11.640 1.00 0.00 C ATOM 1083 CE LYS A 75 5.390 -4.173 12.947 1.00 0.00 C ATOM 1084 NZ LYS A 75 3.955 -4.508 12.729 1.00 0.00 N ATOM 0 H LYS A 75 5.892 -5.967 8.576 1.00 0.00 H new ATOM 0 HA LYS A 75 6.412 -3.830 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.905 -5.144 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.460 -3.472 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.738 -5.857 11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.818 -5.017 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.543 -2.871 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.384 -3.861 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.886 -5.006 13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.465 -3.312 13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.503 -4.709 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.476 -3.704 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.883 -5.345 12.116 1.00 0.00 H new ATOM 1098 N THR A 76 7.919 -4.187 6.507 1.00 0.00 N ATOM 1099 CA THR A 76 8.690 -3.672 5.382 1.00 0.00 C ATOM 1100 C THR A 76 8.124 -2.346 4.888 1.00 0.00 C ATOM 1101 O THR A 76 8.150 -1.367 5.631 1.00 0.00 O ATOM 1102 CB THR A 76 8.714 -4.674 4.212 1.00 0.00 C ATOM 1103 OG1 THR A 76 9.917 -5.450 4.256 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.620 -3.951 2.877 1.00 0.00 C ATOM 0 H THR A 76 7.171 -4.830 6.247 1.00 0.00 H new ATOM 0 HA THR A 76 9.708 -3.518 5.741 1.00 0.00 H new ATOM 0 HB THR A 76 7.852 -5.334 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.708 -6.360 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.639 -4.680 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.689 -3.385 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.464 -3.270 2.772 1.00 0.00 H new TER 1112 THR A 76 HETATM 1113 ZN ZN A 201 -6.808 -4.517 7.078 1.00 0.00 ZN HETATM 1114 ZN ZN A 202 6.549 -7.504 3.725 1.00 0.00 ZN