USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 1.18 (180deg=0.786) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 12 ASN : amide:sc= -2.59! C(o=-2.6!,f=-5.6!) USER MOD Single : A 17 TYR OH : rot -125:sc= 0.124 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.0395 (180deg=0.00469) USER MOD Single : A 24 GLN : amide:sc= -4.41! C(o=-4.4!,f=-17!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00493 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.942 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -105:sc= 1.31 (180deg=-0.576) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 85 MET CE :methyl 178:sc= 0 (180deg=-0.00429) USER MOD Single : A 98 THR OG1 : rot 76:sc= 0.0709 USER MOD Single : A 102 ASN : amide:sc= 1.28 K(o=1.3,f=-4.8!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.107 F(o=-1.5!,f=-0.11) USER MOD Single : A 109 ASN : amide:sc= 1.04 K(o=1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.607 -10.299 -4.799 1.00 0.00 N ATOM 2 CA GLY A 1 -18.731 -11.297 -5.458 1.00 0.00 C ATOM 3 C GLY A 1 -17.383 -10.713 -5.827 1.00 0.00 C ATOM 4 O GLY A 1 -16.787 -9.978 -5.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.345 -10.790 -4.255 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.040 -9.709 -4.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.052 -9.697 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.587 -12.149 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.221 -11.673 -6.356 1.00 0.00 H new ATOM 10 N SER A 2 -16.903 -11.028 -7.023 1.00 0.00 N ATOM 11 CA SER A 2 -15.616 -10.530 -7.485 1.00 0.00 C ATOM 12 C SER A 2 -15.745 -9.120 -8.062 1.00 0.00 C ATOM 13 O SER A 2 -16.501 -8.889 -9.011 1.00 0.00 O ATOM 14 CB SER A 2 -15.028 -11.487 -8.524 1.00 0.00 C ATOM 15 OG SER A 2 -15.334 -12.834 -8.201 1.00 0.00 O ATOM 0 H SER A 2 -17.387 -11.627 -7.691 1.00 0.00 H new ATOM 0 HA SER A 2 -14.941 -10.477 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.423 -11.247 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.947 -11.357 -8.573 1.00 0.00 H new ATOM 0 HG SER A 2 -14.950 -13.428 -8.879 1.00 0.00 H new ATOM 21 N LEU A 3 -15.011 -8.183 -7.475 1.00 0.00 N ATOM 22 CA LEU A 3 -15.022 -6.795 -7.921 1.00 0.00 C ATOM 23 C LEU A 3 -13.650 -6.400 -8.446 1.00 0.00 C ATOM 24 O LEU A 3 -13.458 -6.213 -9.647 1.00 0.00 O ATOM 25 CB LEU A 3 -15.413 -5.870 -6.768 1.00 0.00 C ATOM 26 CG LEU A 3 -16.911 -5.770 -6.497 1.00 0.00 C ATOM 27 CD1 LEU A 3 -17.218 -6.147 -5.055 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.410 -4.368 -6.802 1.00 0.00 C ATOM 0 H LEU A 3 -14.395 -8.362 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.755 -6.697 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.918 -6.217 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.030 -4.871 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.430 -6.471 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.291 -6.070 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.892 -7.171 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.691 -5.471 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.480 -4.312 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.886 -3.650 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.222 -4.135 -7.850 1.00 0.00 H new ATOM 40 N LEU A 4 -12.687 -6.351 -7.543 1.00 0.00 N ATOM 41 CA LEU A 4 -11.305 -6.078 -7.900 1.00 0.00 C ATOM 42 C LEU A 4 -10.459 -7.290 -7.568 1.00 0.00 C ATOM 43 O LEU A 4 -10.882 -8.148 -6.799 1.00 0.00 O ATOM 44 CB LEU A 4 -10.774 -4.862 -7.139 1.00 0.00 C ATOM 45 CG LEU A 4 -11.723 -3.670 -7.047 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.979 -3.313 -5.592 1.00 0.00 C ATOM 47 CD2 LEU A 4 -11.147 -2.486 -7.803 1.00 0.00 C ATOM 0 H LEU A 4 -12.839 -6.499 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.255 -5.864 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.515 -5.175 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.852 -4.532 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.676 -3.938 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.657 -2.461 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.427 -4.165 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.036 -3.056 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.831 -1.641 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.185 -2.211 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.011 -2.755 -8.851 1.00 0.00 H new ATOM 59 N THR A 5 -9.247 -7.340 -8.083 1.00 0.00 N ATOM 60 CA THR A 5 -8.356 -8.433 -7.751 1.00 0.00 C ATOM 61 C THR A 5 -7.051 -7.924 -7.170 1.00 0.00 C ATOM 62 O THR A 5 -6.409 -7.033 -7.729 1.00 0.00 O ATOM 63 CB THR A 5 -8.064 -9.332 -8.961 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.409 -8.659 -10.182 1.00 0.00 O ATOM 65 CG2 THR A 5 -8.845 -10.629 -8.847 1.00 0.00 C ATOM 0 H THR A 5 -8.860 -6.647 -8.724 1.00 0.00 H new ATOM 0 HA THR A 5 -8.872 -9.031 -7.000 1.00 0.00 H new ATOM 0 HB THR A 5 -6.998 -9.558 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.216 -9.244 -10.944 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.631 -11.260 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.553 -11.150 -7.935 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.912 -10.409 -8.814 1.00 0.00 H new ATOM 73 N CYS A 6 -6.691 -8.482 -6.028 1.00 0.00 N ATOM 74 CA CYS A 6 -5.492 -8.091 -5.320 1.00 0.00 C ATOM 75 C CYS A 6 -4.280 -8.817 -5.894 1.00 0.00 C ATOM 76 O CYS A 6 -4.418 -9.884 -6.497 1.00 0.00 O ATOM 77 CB CYS A 6 -5.681 -8.373 -3.822 1.00 0.00 C ATOM 78 SG CYS A 6 -4.312 -9.235 -2.992 1.00 0.00 S ATOM 0 H CYS A 6 -7.224 -9.219 -5.567 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.311 -7.023 -5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.848 -7.424 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.587 -8.966 -3.696 1.00 0.00 H new ATOM 83 N GLY A 7 -3.126 -8.174 -5.824 1.00 0.00 N ATOM 84 CA GLY A 7 -1.930 -8.731 -6.421 1.00 0.00 C ATOM 85 C GLY A 7 -1.106 -9.531 -5.433 1.00 0.00 C ATOM 86 O GLY A 7 -0.060 -10.086 -5.789 1.00 0.00 O ATOM 0 H GLY A 7 -2.995 -7.274 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.210 -9.371 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.321 -7.924 -6.827 1.00 0.00 H new ATOM 90 N GLY A 8 -1.565 -9.579 -4.192 1.00 0.00 N ATOM 91 CA GLY A 8 -0.850 -10.300 -3.164 1.00 0.00 C ATOM 92 C GLY A 8 -1.309 -11.736 -3.057 1.00 0.00 C ATOM 93 O GLY A 8 -0.496 -12.660 -3.121 1.00 0.00 O ATOM 0 H GLY A 8 -2.425 -9.128 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.218 -10.276 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.993 -9.801 -2.205 1.00 0.00 H new ATOM 97 N CYS A 9 -2.615 -11.930 -2.939 1.00 0.00 N ATOM 98 CA CYS A 9 -3.172 -13.271 -2.852 1.00 0.00 C ATOM 99 C CYS A 9 -3.906 -13.637 -4.137 1.00 0.00 C ATOM 100 O CYS A 9 -4.092 -14.819 -4.444 1.00 0.00 O ATOM 101 CB CYS A 9 -4.105 -13.384 -1.644 1.00 0.00 C ATOM 102 SG CYS A 9 -5.657 -12.445 -1.791 1.00 0.00 S ATOM 0 H CYS A 9 -3.305 -11.180 -2.902 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.351 -13.976 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.346 -14.435 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.572 -13.042 -0.757 1.00 0.00 H new ATOM 107 N GLN A 10 -4.302 -12.608 -4.888 1.00 0.00 N ATOM 108 CA GLN A 10 -4.984 -12.775 -6.173 1.00 0.00 C ATOM 109 C GLN A 10 -6.308 -13.526 -6.027 1.00 0.00 C ATOM 110 O GLN A 10 -6.806 -14.108 -6.989 1.00 0.00 O ATOM 111 CB GLN A 10 -4.076 -13.500 -7.169 1.00 0.00 C ATOM 112 CG GLN A 10 -3.985 -12.812 -8.518 1.00 0.00 C ATOM 113 CD GLN A 10 -2.767 -11.918 -8.639 1.00 0.00 C ATOM 114 OE1 GLN A 10 -1.827 -12.011 -7.846 1.00 0.00 O ATOM 115 NE2 GLN A 10 -2.777 -11.046 -9.636 1.00 0.00 N ATOM 0 H GLN A 10 -4.159 -11.634 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.210 -11.778 -6.551 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.076 -13.582 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.445 -14.516 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.956 -13.566 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.884 -12.217 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.576 -11.004 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.986 -10.417 -9.771 1.00 0.00 H new ATOM 124 N GLN A 11 -6.872 -13.524 -4.826 1.00 0.00 N ATOM 125 CA GLN A 11 -8.109 -14.250 -4.571 1.00 0.00 C ATOM 126 C GLN A 11 -9.326 -13.331 -4.683 1.00 0.00 C ATOM 127 O GLN A 11 -10.430 -13.704 -4.285 1.00 0.00 O ATOM 128 CB GLN A 11 -8.053 -14.919 -3.190 1.00 0.00 C ATOM 129 CG GLN A 11 -8.478 -14.020 -2.038 1.00 0.00 C ATOM 130 CD GLN A 11 -9.512 -14.671 -1.146 1.00 0.00 C ATOM 131 OE1 GLN A 11 -10.715 -14.552 -1.381 1.00 0.00 O ATOM 132 NE2 GLN A 11 -9.053 -15.358 -0.112 1.00 0.00 N ATOM 0 H GLN A 11 -6.495 -13.030 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.214 -15.024 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.693 -15.802 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.035 -15.265 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.603 -13.759 -1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.881 -13.089 -2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.048 -15.431 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.704 -15.814 0.527 1.00 0.00 H new ATOM 141 N ASN A 12 -9.105 -12.142 -5.260 1.00 0.00 N ATOM 142 CA ASN A 12 -10.159 -11.139 -5.470 1.00 0.00 C ATOM 143 C ASN A 12 -10.491 -10.401 -4.175 1.00 0.00 C ATOM 144 O ASN A 12 -10.432 -10.967 -3.083 1.00 0.00 O ATOM 145 CB ASN A 12 -11.427 -11.770 -6.076 1.00 0.00 C ATOM 146 CG ASN A 12 -12.710 -11.075 -5.648 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.014 -9.969 -6.095 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.476 -11.718 -4.784 1.00 0.00 N ATOM 0 H ASN A 12 -8.188 -11.847 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.772 -10.412 -6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.353 -11.743 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.476 -12.819 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.350 -11.299 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.193 -12.633 -4.434 1.00 0.00 H new ATOM 155 N ILE A 13 -10.816 -9.126 -4.310 1.00 0.00 N ATOM 156 CA ILE A 13 -11.180 -8.296 -3.175 1.00 0.00 C ATOM 157 C ILE A 13 -12.690 -8.102 -3.104 1.00 0.00 C ATOM 158 O ILE A 13 -13.248 -7.224 -3.769 1.00 0.00 O ATOM 159 CB ILE A 13 -10.503 -6.917 -3.255 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.080 -7.062 -3.786 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.495 -6.244 -1.891 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.615 -5.884 -4.607 1.00 0.00 C ATOM 0 H ILE A 13 -10.835 -8.639 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.838 -8.812 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.072 -6.290 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.400 -7.198 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.019 -7.964 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.012 -5.270 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.520 -6.114 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.947 -6.865 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.595 -6.059 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.271 -5.759 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.642 -4.981 -3.996 1.00 0.00 H new ATOM 174 N GLY A 14 -13.334 -8.882 -2.248 1.00 0.00 N ATOM 175 CA GLY A 14 -14.758 -8.734 -2.018 1.00 0.00 C ATOM 176 C GLY A 14 -15.019 -8.043 -0.699 1.00 0.00 C ATOM 177 O GLY A 14 -16.083 -8.189 -0.096 1.00 0.00 O ATOM 0 H GLY A 14 -12.891 -9.622 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.204 -8.159 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.235 -9.714 -2.021 1.00 0.00 H new ATOM 181 N ASP A 15 -13.983 -7.388 -0.206 1.00 0.00 N ATOM 182 CA ASP A 15 -14.009 -6.728 1.093 1.00 0.00 C ATOM 183 C ASP A 15 -14.770 -5.411 1.012 1.00 0.00 C ATOM 184 O ASP A 15 -15.167 -4.986 -0.071 1.00 0.00 O ATOM 185 CB ASP A 15 -12.580 -6.466 1.577 1.00 0.00 C ATOM 186 CG ASP A 15 -11.765 -7.735 1.757 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.612 -8.503 0.780 1.00 0.00 O ATOM 188 OD2 ASP A 15 -11.262 -7.965 2.877 1.00 0.00 O ATOM 0 H ASP A 15 -13.093 -7.297 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.517 -7.384 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.075 -5.816 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.617 -5.929 2.525 1.00 0.00 H new ATOM 193 N ARG A 16 -14.910 -4.730 2.141 1.00 0.00 N ATOM 194 CA ARG A 16 -15.556 -3.420 2.165 1.00 0.00 C ATOM 195 C ARG A 16 -14.523 -2.319 1.962 1.00 0.00 C ATOM 196 O ARG A 16 -14.801 -1.294 1.338 1.00 0.00 O ATOM 197 CB ARG A 16 -16.313 -3.198 3.481 1.00 0.00 C ATOM 198 CG ARG A 16 -15.609 -3.754 4.708 1.00 0.00 C ATOM 199 CD ARG A 16 -15.845 -2.878 5.926 1.00 0.00 C ATOM 200 NE ARG A 16 -14.601 -2.327 6.459 1.00 0.00 N ATOM 201 CZ ARG A 16 -14.407 -1.033 6.717 1.00 0.00 C ATOM 202 NH1 ARG A 16 -15.412 -0.171 6.607 1.00 0.00 N ATOM 203 NH2 ARG A 16 -13.219 -0.608 7.129 1.00 0.00 N ATOM 0 H ARG A 16 -14.587 -5.059 3.051 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.278 -3.386 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.471 -2.128 3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.298 -3.658 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.967 -4.764 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.539 -3.829 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.517 -2.062 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.343 -3.462 6.700 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.833 -2.972 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.336 -0.498 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.260 0.818 6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.453 -1.271 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.072 0.382 7.326 1.00 0.00 H new ATOM 217 N TYR A 17 -13.317 -2.571 2.436 1.00 0.00 N ATOM 218 CA TYR A 17 -12.215 -1.642 2.270 1.00 0.00 C ATOM 219 C TYR A 17 -11.143 -2.329 1.431 1.00 0.00 C ATOM 220 O TYR A 17 -11.092 -3.557 1.397 1.00 0.00 O ATOM 221 CB TYR A 17 -11.659 -1.254 3.642 1.00 0.00 C ATOM 222 CG TYR A 17 -11.398 0.223 3.797 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.452 1.129 3.793 1.00 0.00 C ATOM 224 CD2 TYR A 17 -10.114 0.714 3.962 1.00 0.00 C ATOM 225 CE1 TYR A 17 -12.231 2.482 3.943 1.00 0.00 C ATOM 226 CE2 TYR A 17 -9.883 2.067 4.117 1.00 0.00 C ATOM 227 CZ TYR A 17 -10.944 2.946 4.106 1.00 0.00 C ATOM 228 OH TYR A 17 -10.718 4.293 4.262 1.00 0.00 O ATOM 0 H TYR A 17 -13.074 -3.421 2.945 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.548 -0.733 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.362 -1.572 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.730 -1.798 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.462 0.767 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.280 0.028 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.061 3.173 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.876 2.434 4.246 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.081 4.599 3.583 1.00 0.00 H new ATOM 238 N PHE A 18 -10.275 -1.566 0.780 1.00 0.00 N ATOM 239 CA PHE A 18 -9.215 -2.157 -0.016 1.00 0.00 C ATOM 240 C PHE A 18 -8.150 -1.137 -0.311 1.00 0.00 C ATOM 241 O PHE A 18 -8.346 0.065 -0.136 1.00 0.00 O ATOM 242 CB PHE A 18 -9.742 -2.766 -1.321 1.00 0.00 C ATOM 243 CG PHE A 18 -9.837 -1.807 -2.476 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.752 -0.768 -2.468 1.00 0.00 C ATOM 245 CD2 PHE A 18 -9.014 -1.962 -3.582 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.839 0.103 -3.536 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.096 -1.092 -4.650 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.013 -0.062 -4.629 1.00 0.00 C ATOM 0 H PHE A 18 -10.285 -0.546 0.789 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.784 -2.968 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.092 -3.593 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.730 -3.187 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.405 -0.637 -1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.301 -2.773 -3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.553 0.913 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.443 -1.217 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.085 0.615 -5.467 1.00 0.00 H new ATOM 258 N LEU A 19 -7.002 -1.638 -0.680 1.00 0.00 N ATOM 259 CA LEU A 19 -5.836 -0.803 -0.880 1.00 0.00 C ATOM 260 C LEU A 19 -5.284 -0.997 -2.283 1.00 0.00 C ATOM 261 O LEU A 19 -5.351 -2.092 -2.817 1.00 0.00 O ATOM 262 CB LEU A 19 -4.794 -1.139 0.166 1.00 0.00 C ATOM 263 CG LEU A 19 -4.808 -0.197 1.365 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.244 1.155 0.990 1.00 0.00 C ATOM 265 CD2 LEU A 19 -6.197 -0.065 1.961 1.00 0.00 C ATOM 0 H LEU A 19 -6.843 -2.631 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.115 0.245 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.956 -2.159 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.807 -1.113 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.169 -0.632 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.263 1.811 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.216 1.038 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.845 1.592 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.164 0.614 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.880 0.329 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.546 -1.044 2.291 1.00 0.00 H new ATOM 277 N LYS A 20 -4.815 0.068 -2.913 1.00 0.00 N ATOM 278 CA LYS A 20 -4.302 -0.028 -4.278 1.00 0.00 C ATOM 279 C LYS A 20 -3.429 1.187 -4.577 1.00 0.00 C ATOM 280 O LYS A 20 -3.686 2.260 -4.027 1.00 0.00 O ATOM 281 CB LYS A 20 -5.479 -0.144 -5.273 1.00 0.00 C ATOM 282 CG LYS A 20 -5.441 0.814 -6.462 1.00 0.00 C ATOM 283 CD LYS A 20 -6.190 2.107 -6.174 1.00 0.00 C ATOM 284 CE LYS A 20 -7.692 1.924 -6.304 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.141 1.981 -7.720 1.00 0.00 N ATOM 0 H LYS A 20 -4.777 1.004 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.688 -0.922 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.509 -1.165 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.408 0.020 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.405 1.043 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.878 0.328 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.951 2.450 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.856 2.883 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.979 0.966 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.202 2.698 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.165 2.158 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.641 2.749 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.931 1.076 -8.187 1.00 0.00 H new ATOM 299 N ALA A 21 -2.439 1.046 -5.477 1.00 0.00 N ATOM 300 CA ALA A 21 -1.596 2.191 -5.858 1.00 0.00 C ATOM 301 C ALA A 21 -0.524 1.816 -6.874 1.00 0.00 C ATOM 302 O ALA A 21 -0.192 2.616 -7.749 1.00 0.00 O ATOM 303 CB ALA A 21 -0.926 2.808 -4.640 1.00 0.00 C ATOM 0 H ALA A 21 -2.207 0.170 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.266 2.916 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.310 3.651 -4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.688 3.154 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.299 2.061 -4.152 1.00 0.00 H new ATOM 309 N ILE A 22 0.121 0.675 -6.652 1.00 0.00 N ATOM 310 CA ILE A 22 1.263 0.256 -7.465 1.00 0.00 C ATOM 311 C ILE A 22 0.927 0.294 -8.958 1.00 0.00 C ATOM 312 O ILE A 22 1.619 0.943 -9.746 1.00 0.00 O ATOM 313 CB ILE A 22 1.723 -1.169 -7.073 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.299 -1.173 -5.652 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.732 -1.711 -8.074 1.00 0.00 C ATOM 316 CD1 ILE A 22 3.092 -2.415 -5.306 1.00 0.00 C ATOM 0 H ILE A 22 -0.128 0.019 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 22 2.074 0.959 -7.273 1.00 0.00 H new ATOM 0 HB ILE A 22 0.854 -1.827 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.941 -0.300 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.480 -1.069 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.039 -2.713 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.277 -1.751 -9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.604 -1.058 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.463 -2.337 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.451 -3.292 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.934 -2.512 -5.992 1.00 0.00 H new ATOM 328 N ASP A 23 -0.148 -0.393 -9.313 1.00 0.00 N ATOM 329 CA ASP A 23 -0.609 -0.493 -10.700 1.00 0.00 C ATOM 330 C ASP A 23 -1.811 -1.425 -10.743 1.00 0.00 C ATOM 331 O ASP A 23 -2.548 -1.502 -11.726 1.00 0.00 O ATOM 332 CB ASP A 23 0.511 -1.037 -11.603 1.00 0.00 C ATOM 333 CG ASP A 23 0.039 -1.403 -12.995 1.00 0.00 C ATOM 334 OD1 ASP A 23 -0.482 -0.520 -13.707 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.199 -2.578 -13.389 1.00 0.00 O ATOM 0 H ASP A 23 -0.732 -0.901 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.887 0.496 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.300 -0.289 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.950 -1.917 -11.134 1.00 0.00 H new ATOM 340 N GLN A 24 -2.003 -2.110 -9.632 1.00 0.00 N ATOM 341 CA GLN A 24 -3.072 -3.065 -9.472 1.00 0.00 C ATOM 342 C GLN A 24 -3.801 -2.784 -8.166 1.00 0.00 C ATOM 343 O GLN A 24 -3.550 -1.763 -7.517 1.00 0.00 O ATOM 344 CB GLN A 24 -2.508 -4.496 -9.491 1.00 0.00 C ATOM 345 CG GLN A 24 -1.685 -4.875 -8.261 1.00 0.00 C ATOM 346 CD GLN A 24 -0.437 -4.025 -8.080 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.511 -2.892 -7.601 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.716 -4.555 -8.452 1.00 0.00 N ATOM 0 H GLN A 24 -1.411 -2.014 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.778 -2.971 -10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.337 -5.197 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.886 -4.615 -10.378 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.310 -4.782 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.393 -5.923 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.742 -5.496 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.580 -4.023 -8.346 1.00 0.00 H new ATOM 357 N TYR A 25 -4.655 -3.705 -7.755 1.00 0.00 N ATOM 358 CA TYR A 25 -5.380 -3.563 -6.505 1.00 0.00 C ATOM 359 C TYR A 25 -4.868 -4.573 -5.492 1.00 0.00 C ATOM 360 O TYR A 25 -4.155 -5.511 -5.855 1.00 0.00 O ATOM 361 CB TYR A 25 -6.883 -3.738 -6.743 1.00 0.00 C ATOM 362 CG TYR A 25 -7.364 -3.105 -8.030 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.098 -1.769 -8.310 1.00 0.00 C ATOM 364 CD2 TYR A 25 -8.071 -3.845 -8.971 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.520 -1.191 -9.490 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.499 -3.270 -10.153 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.219 -1.944 -10.408 1.00 0.00 C ATOM 368 OH TYR A 25 -8.633 -1.368 -11.587 1.00 0.00 O ATOM 0 H TYR A 25 -4.863 -4.561 -8.270 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.215 -2.562 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.120 -4.802 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.429 -3.303 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.552 -1.174 -7.592 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.289 -4.885 -8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.303 -0.153 -9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.050 -3.856 -10.873 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.111 -2.033 -12.125 1.00 0.00 H new ATOM 378 N TRP A 26 -5.088 -4.290 -4.218 1.00 0.00 N ATOM 379 CA TRP A 26 -4.538 -5.107 -3.147 1.00 0.00 C ATOM 380 C TRP A 26 -5.566 -5.358 -2.053 1.00 0.00 C ATOM 381 O TRP A 26 -6.730 -4.966 -2.158 1.00 0.00 O ATOM 382 CB TRP A 26 -3.326 -4.423 -2.513 1.00 0.00 C ATOM 383 CG TRP A 26 -2.187 -4.186 -3.446 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.963 -3.071 -4.197 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.101 -5.075 -3.704 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.804 -3.215 -4.910 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.256 -4.438 -4.627 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.762 -6.349 -3.246 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.907 -5.032 -5.101 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.394 -6.939 -3.718 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.219 -6.277 -4.638 1.00 0.00 C ATOM 0 H TRP A 26 -5.646 -3.498 -3.899 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.244 -6.057 -3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.642 -3.467 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.975 -5.033 -1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.605 -2.203 -4.225 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.412 -2.523 -5.549 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.392 -6.864 -2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.543 -4.525 -5.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.667 -7.925 -3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.119 -6.762 -4.987 1.00 0.00 H new ATOM 402 N HIS A 27 -5.063 -5.859 -0.937 1.00 0.00 N ATOM 403 CA HIS A 27 -5.857 -6.057 0.264 1.00 0.00 C ATOM 404 C HIS A 27 -5.222 -5.293 1.413 1.00 0.00 C ATOM 405 O HIS A 27 -4.046 -4.933 1.340 1.00 0.00 O ATOM 406 CB HIS A 27 -5.911 -7.538 0.630 1.00 0.00 C ATOM 407 CG HIS A 27 -7.086 -8.272 0.083 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.941 -9.415 -0.660 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.401 -8.003 0.225 1.00 0.00 C ATOM 410 CE1 HIS A 27 -8.162 -9.821 -0.953 1.00 0.00 C ATOM 411 NE2 HIS A 27 -9.086 -8.991 -0.435 1.00 0.00 N ATOM 0 H HIS A 27 -4.088 -6.141 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.869 -5.697 0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.001 -8.020 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.916 -7.630 1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.832 -7.168 0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.390 -10.703 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.099 -9.079 -0.517 1.00 0.00 H new ATOM 419 N GLU A 28 -5.971 -5.107 2.489 1.00 0.00 N ATOM 420 CA GLU A 28 -5.468 -4.421 3.661 1.00 0.00 C ATOM 421 C GLU A 28 -4.346 -5.212 4.330 1.00 0.00 C ATOM 422 O GLU A 28 -3.318 -4.653 4.700 1.00 0.00 O ATOM 423 CB GLU A 28 -6.608 -4.202 4.645 1.00 0.00 C ATOM 424 CG GLU A 28 -7.806 -3.486 4.044 1.00 0.00 C ATOM 425 CD GLU A 28 -9.024 -3.557 4.939 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.037 -2.868 5.982 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.962 -4.312 4.617 1.00 0.00 O ATOM 0 H GLU A 28 -6.936 -5.426 2.571 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.058 -3.460 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.931 -5.168 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.239 -3.625 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.550 -2.442 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.043 -3.928 3.076 1.00 0.00 H new ATOM 434 N ASP A 29 -4.561 -6.511 4.506 1.00 0.00 N ATOM 435 CA ASP A 29 -3.585 -7.361 5.185 1.00 0.00 C ATOM 436 C ASP A 29 -2.660 -8.041 4.187 1.00 0.00 C ATOM 437 O ASP A 29 -1.728 -8.750 4.562 1.00 0.00 O ATOM 438 CB ASP A 29 -4.298 -8.417 6.039 1.00 0.00 C ATOM 439 CG ASP A 29 -3.663 -8.590 7.406 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.836 -7.699 8.264 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.997 -9.626 7.637 1.00 0.00 O ATOM 0 H ASP A 29 -5.399 -6.999 4.190 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.982 -6.725 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.343 -8.134 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.286 -9.372 5.514 1.00 0.00 H new ATOM 446 N CYS A 30 -2.903 -7.795 2.915 1.00 0.00 N ATOM 447 CA CYS A 30 -2.086 -8.372 1.858 1.00 0.00 C ATOM 448 C CYS A 30 -0.917 -7.460 1.520 1.00 0.00 C ATOM 449 O CYS A 30 0.202 -7.925 1.307 1.00 0.00 O ATOM 450 CB CYS A 30 -2.927 -8.629 0.613 1.00 0.00 C ATOM 451 SG CYS A 30 -3.738 -10.265 0.586 1.00 0.00 S ATOM 0 H CYS A 30 -3.661 -7.198 2.584 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.691 -9.322 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.691 -7.855 0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.291 -8.536 -0.267 1.00 0.00 H new ATOM 456 N LEU A 31 -1.197 -6.167 1.443 1.00 0.00 N ATOM 457 CA LEU A 31 -0.179 -5.175 1.119 1.00 0.00 C ATOM 458 C LEU A 31 0.812 -4.991 2.270 1.00 0.00 C ATOM 459 O LEU A 31 0.802 -3.973 2.963 1.00 0.00 O ATOM 460 CB LEU A 31 -0.831 -3.834 0.784 1.00 0.00 C ATOM 461 CG LEU A 31 -0.441 -3.246 -0.571 1.00 0.00 C ATOM 462 CD1 LEU A 31 -1.247 -1.992 -0.851 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.051 -2.946 -0.628 1.00 0.00 C ATOM 0 H LEU A 31 -2.126 -5.777 1.601 1.00 0.00 H new ATOM 0 HA LEU A 31 0.370 -5.540 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.914 -3.957 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.572 -3.117 1.563 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.664 -3.985 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.959 -1.583 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.309 -2.237 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.053 -1.253 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.301 -2.528 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.308 -2.228 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.613 -3.867 -0.472 1.00 0.00 H new ATOM 475 N SER A 32 1.707 -5.949 2.425 1.00 0.00 N ATOM 476 CA SER A 32 2.751 -5.857 3.425 1.00 0.00 C ATOM 477 C SER A 32 4.085 -5.534 2.760 1.00 0.00 C ATOM 478 O SER A 32 4.163 -5.380 1.537 1.00 0.00 O ATOM 479 CB SER A 32 2.843 -7.169 4.208 1.00 0.00 C ATOM 480 OG SER A 32 1.849 -8.083 3.777 1.00 0.00 O ATOM 0 H SER A 32 1.730 -6.803 1.868 1.00 0.00 H new ATOM 0 HA SER A 32 2.509 -5.054 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.831 -7.609 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.724 -6.971 5.273 1.00 0.00 H new ATOM 0 HG SER A 32 1.926 -8.915 4.288 1.00 0.00 H new ATOM 486 N CYS A 33 5.131 -5.441 3.561 1.00 0.00 N ATOM 487 CA CYS A 33 6.456 -5.154 3.053 1.00 0.00 C ATOM 488 C CYS A 33 7.129 -6.442 2.564 1.00 0.00 C ATOM 489 O CYS A 33 6.619 -7.542 2.790 1.00 0.00 O ATOM 490 CB CYS A 33 7.275 -4.462 4.144 1.00 0.00 C ATOM 491 SG CYS A 33 9.009 -4.984 4.241 1.00 0.00 S ATOM 0 H CYS A 33 5.085 -5.561 4.573 1.00 0.00 H new ATOM 0 HA CYS A 33 6.388 -4.482 2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.243 -3.386 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.800 -4.647 5.108 1.00 0.00 H new ATOM 496 N ASP A 34 8.226 -6.292 1.835 1.00 0.00 N ATOM 497 CA ASP A 34 8.927 -7.432 1.257 1.00 0.00 C ATOM 498 C ASP A 34 10.053 -7.945 2.152 1.00 0.00 C ATOM 499 O ASP A 34 10.284 -9.154 2.227 1.00 0.00 O ATOM 500 CB ASP A 34 9.502 -7.056 -0.106 1.00 0.00 C ATOM 501 CG ASP A 34 9.564 -8.243 -1.042 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.511 -8.618 -1.600 1.00 0.00 O ATOM 503 OD2 ASP A 34 10.661 -8.805 -1.228 1.00 0.00 O ATOM 0 H ASP A 34 8.652 -5.388 1.629 1.00 0.00 H new ATOM 0 HA ASP A 34 8.195 -8.233 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.890 -6.273 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.503 -6.644 0.024 1.00 0.00 H new ATOM 508 N LEU A 35 10.865 -7.035 2.673 1.00 0.00 N ATOM 509 CA LEU A 35 12.090 -7.437 3.362 1.00 0.00 C ATOM 510 C LEU A 35 12.158 -6.947 4.824 1.00 0.00 C ATOM 511 O LEU A 35 12.475 -7.744 5.708 1.00 0.00 O ATOM 512 CB LEU A 35 13.305 -6.996 2.534 1.00 0.00 C ATOM 513 CG LEU A 35 14.649 -6.935 3.259 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.260 -8.324 3.378 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.583 -5.993 2.512 1.00 0.00 C ATOM 0 H LEU A 35 10.704 -6.028 2.635 1.00 0.00 H new ATOM 0 HA LEU A 35 12.093 -8.524 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.406 -7.678 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.096 -6.008 2.123 1.00 0.00 H new ATOM 0 HG LEU A 35 14.495 -6.555 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.216 -8.258 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.586 -8.971 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.416 -8.739 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.542 -5.948 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.733 -6.359 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.143 -4.996 2.477 1.00 0.00 H new ATOM 527 N CYS A 36 11.857 -5.669 5.105 1.00 0.00 N ATOM 528 CA CYS A 36 11.860 -5.193 6.498 1.00 0.00 C ATOM 529 C CYS A 36 10.870 -6.014 7.325 1.00 0.00 C ATOM 530 O CYS A 36 11.139 -6.369 8.476 1.00 0.00 O ATOM 531 CB CYS A 36 11.497 -3.696 6.650 1.00 0.00 C ATOM 532 SG CYS A 36 11.802 -2.621 5.208 1.00 0.00 S ATOM 0 H CYS A 36 11.615 -4.964 4.409 1.00 0.00 H new ATOM 0 HA CYS A 36 12.883 -5.317 6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.440 -3.628 6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.056 -3.296 7.496 1.00 0.00 H new ATOM 537 N GLY A 37 9.721 -6.287 6.729 1.00 0.00 N ATOM 538 CA GLY A 37 8.685 -7.026 7.407 1.00 0.00 C ATOM 539 C GLY A 37 7.850 -6.132 8.293 1.00 0.00 C ATOM 540 O GLY A 37 7.540 -6.489 9.426 1.00 0.00 O ATOM 0 H GLY A 37 9.488 -6.005 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.043 -7.511 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.135 -7.816 8.008 1.00 0.00 H new ATOM 544 N CYS A 38 7.512 -4.950 7.792 1.00 0.00 N ATOM 545 CA CYS A 38 6.730 -3.999 8.554 1.00 0.00 C ATOM 546 C CYS A 38 5.337 -3.867 7.942 1.00 0.00 C ATOM 547 O CYS A 38 4.618 -4.859 7.805 1.00 0.00 O ATOM 548 CB CYS A 38 7.450 -2.645 8.584 1.00 0.00 C ATOM 549 SG CYS A 38 8.252 -2.206 7.020 1.00 0.00 S ATOM 0 H CYS A 38 7.771 -4.632 6.858 1.00 0.00 H new ATOM 0 HA CYS A 38 6.620 -4.352 9.579 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.731 -1.868 8.843 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.201 -2.661 9.374 1.00 0.00 H new ATOM 0 HG CYS A 38 8.831 -1.048 7.139 1.00 0.00 H new ATOM 555 N ARG A 39 5.003 -2.668 7.486 1.00 0.00 N ATOM 556 CA ARG A 39 3.724 -2.414 6.829 1.00 0.00 C ATOM 557 C ARG A 39 3.713 -1.021 6.217 1.00 0.00 C ATOM 558 O ARG A 39 2.701 -0.318 6.268 1.00 0.00 O ATOM 559 CB ARG A 39 2.556 -2.566 7.810 1.00 0.00 C ATOM 560 CG ARG A 39 1.558 -3.636 7.397 1.00 0.00 C ATOM 561 CD ARG A 39 0.134 -3.109 7.393 1.00 0.00 C ATOM 562 NE ARG A 39 -0.835 -4.160 7.685 1.00 0.00 N ATOM 563 CZ ARG A 39 -2.152 -3.973 7.753 1.00 0.00 C ATOM 564 NH1 ARG A 39 -2.674 -2.765 7.576 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.948 -5.002 8.009 1.00 0.00 N ATOM 0 H ARG A 39 5.605 -1.848 7.559 1.00 0.00 H new ATOM 0 HA ARG A 39 3.601 -3.153 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.949 -2.808 8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.038 -1.611 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.812 -4.005 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.630 -4.483 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.039 -2.313 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.088 -2.670 6.420 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.480 -5.102 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.065 -1.969 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.684 -2.633 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.551 -5.931 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.957 -4.865 8.062 1.00 0.00 H new ATOM 579 N LEU A 40 4.827 -0.678 5.566 1.00 0.00 N ATOM 580 CA LEU A 40 4.992 0.585 4.846 1.00 0.00 C ATOM 581 C LEU A 40 4.440 1.787 5.624 1.00 0.00 C ATOM 582 O LEU A 40 4.976 2.160 6.671 1.00 0.00 O ATOM 583 CB LEU A 40 4.356 0.497 3.451 1.00 0.00 C ATOM 584 CG LEU A 40 3.688 -0.833 3.116 1.00 0.00 C ATOM 585 CD1 LEU A 40 2.519 -0.627 2.172 1.00 0.00 C ATOM 586 CD2 LEU A 40 4.689 -1.804 2.521 1.00 0.00 C ATOM 0 H LEU A 40 5.650 -1.279 5.524 1.00 0.00 H new ATOM 0 HA LEU A 40 6.064 0.751 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.614 1.290 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.127 0.694 2.706 1.00 0.00 H new ATOM 0 HG LEU A 40 3.307 -1.261 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.059 -1.589 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.783 0.027 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.874 -0.170 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.190 -2.745 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.107 -1.381 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.491 -1.985 3.237 1.00 0.00 H new ATOM 598 N GLY A 41 3.376 2.385 5.108 1.00 0.00 N ATOM 599 CA GLY A 41 2.784 3.543 5.734 1.00 0.00 C ATOM 600 C GLY A 41 1.492 3.922 5.050 1.00 0.00 C ATOM 601 O GLY A 41 1.501 4.596 4.024 1.00 0.00 O ATOM 0 H GLY A 41 2.908 2.081 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.596 3.336 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.481 4.380 5.693 1.00 0.00 H new ATOM 605 N GLU A 42 0.402 3.341 5.523 1.00 0.00 N ATOM 606 CA GLU A 42 -0.907 3.492 4.885 1.00 0.00 C ATOM 607 C GLU A 42 -1.493 4.897 5.070 1.00 0.00 C ATOM 608 O GLU A 42 -2.643 5.056 5.484 1.00 0.00 O ATOM 609 CB GLU A 42 -1.882 2.456 5.436 1.00 0.00 C ATOM 610 CG GLU A 42 -1.342 1.039 5.438 1.00 0.00 C ATOM 611 CD GLU A 42 -1.907 0.226 6.577 1.00 0.00 C ATOM 612 OE1 GLU A 42 -3.145 0.112 6.670 1.00 0.00 O ATOM 613 OE2 GLU A 42 -1.121 -0.283 7.402 1.00 0.00 O ATOM 0 H GLU A 42 0.393 2.753 6.356 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.759 3.336 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.152 2.732 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.798 2.484 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.585 0.556 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.255 1.064 5.514 1.00 0.00 H new ATOM 620 N VAL A 43 -0.740 5.899 4.655 1.00 0.00 N ATOM 621 CA VAL A 43 -1.219 7.267 4.641 1.00 0.00 C ATOM 622 C VAL A 43 -1.122 7.808 3.225 1.00 0.00 C ATOM 623 O VAL A 43 -0.041 8.190 2.780 1.00 0.00 O ATOM 624 CB VAL A 43 -0.426 8.178 5.599 1.00 0.00 C ATOM 625 CG1 VAL A 43 -1.228 9.430 5.913 1.00 0.00 C ATOM 626 CG2 VAL A 43 -0.064 7.439 6.878 1.00 0.00 C ATOM 0 H VAL A 43 0.217 5.787 4.320 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.254 7.263 4.984 1.00 0.00 H new ATOM 0 HB VAL A 43 0.502 8.470 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.659 10.066 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.431 9.973 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.170 9.150 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.495 8.104 7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.975 7.113 7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.548 6.570 6.635 1.00 0.00 H new ATOM 636 N GLY A 44 -2.220 7.660 2.492 1.00 0.00 N ATOM 637 CA GLY A 44 -2.260 7.949 1.065 1.00 0.00 C ATOM 638 C GLY A 44 -1.490 9.184 0.652 1.00 0.00 C ATOM 639 O GLY A 44 -1.877 10.308 0.977 1.00 0.00 O ATOM 0 H GLY A 44 -3.109 7.335 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.863 7.091 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.300 8.066 0.760 1.00 0.00 H new ATOM 643 N ARG A 45 -0.412 8.969 -0.092 1.00 0.00 N ATOM 644 CA ARG A 45 0.405 10.055 -0.607 1.00 0.00 C ATOM 645 C ARG A 45 1.218 9.570 -1.805 1.00 0.00 C ATOM 646 O ARG A 45 0.730 9.563 -2.936 1.00 0.00 O ATOM 647 CB ARG A 45 1.335 10.592 0.483 1.00 0.00 C ATOM 648 CG ARG A 45 1.220 12.090 0.698 1.00 0.00 C ATOM 649 CD ARG A 45 2.552 12.697 1.095 1.00 0.00 C ATOM 650 NE ARG A 45 2.967 12.285 2.434 1.00 0.00 N ATOM 651 CZ ARG A 45 4.139 12.604 2.982 1.00 0.00 C ATOM 652 NH1 ARG A 45 5.043 13.279 2.279 1.00 0.00 N ATOM 653 NH2 ARG A 45 4.412 12.230 4.225 1.00 0.00 N ATOM 0 H ARG A 45 -0.082 8.040 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.251 10.865 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.115 10.081 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.365 10.349 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.861 12.564 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.481 12.292 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.314 12.402 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.480 13.784 1.057 1.00 0.00 H new ATOM 0 HE ARG A 45 2.320 11.719 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.840 13.554 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.939 13.522 2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.725 11.699 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.309 12.474 4.646 1.00 0.00 H new ATOM 667 N ARG A 46 2.436 9.124 -1.545 1.00 0.00 N ATOM 668 CA ARG A 46 3.306 8.604 -2.589 1.00 0.00 C ATOM 669 C ARG A 46 3.369 7.085 -2.534 1.00 0.00 C ATOM 670 O ARG A 46 2.669 6.461 -1.745 1.00 0.00 O ATOM 671 CB ARG A 46 4.708 9.176 -2.424 1.00 0.00 C ATOM 672 CG ARG A 46 4.797 10.645 -2.769 1.00 0.00 C ATOM 673 CD ARG A 46 5.712 10.880 -3.962 1.00 0.00 C ATOM 674 NE ARG A 46 5.283 10.118 -5.141 1.00 0.00 N ATOM 675 CZ ARG A 46 5.941 9.068 -5.639 1.00 0.00 C ATOM 676 NH1 ARG A 46 7.074 8.655 -5.088 1.00 0.00 N ATOM 677 NH2 ARG A 46 5.472 8.430 -6.700 1.00 0.00 N ATOM 0 H ARG A 46 2.848 9.112 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 46 2.898 8.902 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.033 9.031 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.398 8.618 -3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.801 11.029 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.169 11.201 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.728 11.943 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.731 10.598 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 46 4.426 10.410 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.452 9.141 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.567 7.852 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.605 8.740 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.977 7.628 -7.078 1.00 0.00 H new ATOM 691 N LEU A 47 4.283 6.505 -3.293 1.00 0.00 N ATOM 692 CA LEU A 47 4.521 5.076 -3.225 1.00 0.00 C ATOM 693 C LEU A 47 5.932 4.746 -3.690 1.00 0.00 C ATOM 694 O LEU A 47 6.499 5.442 -4.533 1.00 0.00 O ATOM 695 CB LEU A 47 3.501 4.296 -4.057 1.00 0.00 C ATOM 696 CG LEU A 47 3.391 2.815 -3.685 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.120 2.549 -2.891 1.00 0.00 C ATOM 698 CD2 LEU A 47 3.444 1.946 -4.930 1.00 0.00 C ATOM 0 H LEU A 47 4.871 7.002 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 47 4.409 4.775 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.522 4.762 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.770 4.376 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 47 4.241 2.557 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.064 1.490 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.132 3.141 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.252 2.825 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.364 0.897 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.617 2.206 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.389 2.110 -5.449 1.00 0.00 H new ATOM 710 N TYR A 48 6.497 3.692 -3.119 1.00 0.00 N ATOM 711 CA TYR A 48 7.840 3.261 -3.457 1.00 0.00 C ATOM 712 C TYR A 48 7.853 1.777 -3.781 1.00 0.00 C ATOM 713 O TYR A 48 7.499 0.954 -2.940 1.00 0.00 O ATOM 714 CB TYR A 48 8.794 3.543 -2.296 1.00 0.00 C ATOM 715 CG TYR A 48 9.821 4.606 -2.602 1.00 0.00 C ATOM 716 CD1 TYR A 48 10.389 4.694 -3.865 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.224 5.518 -1.633 1.00 0.00 C ATOM 718 CE1 TYR A 48 11.325 5.660 -4.156 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.161 6.490 -1.920 1.00 0.00 C ATOM 720 CZ TYR A 48 11.708 6.555 -3.185 1.00 0.00 C ATOM 721 OH TYR A 48 12.644 7.515 -3.479 1.00 0.00 O ATOM 0 H TYR A 48 6.038 3.116 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 48 8.170 3.818 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.213 3.850 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.308 2.620 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.092 3.994 -4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.798 5.465 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.757 5.715 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.464 7.195 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 48 12.804 8.069 -2.687 1.00 0.00 H new ATOM 731 N TYR A 49 8.244 1.448 -5.002 1.00 0.00 N ATOM 732 CA TYR A 49 8.342 0.061 -5.433 1.00 0.00 C ATOM 733 C TYR A 49 9.261 -0.036 -6.647 1.00 0.00 C ATOM 734 O TYR A 49 9.505 0.964 -7.331 1.00 0.00 O ATOM 735 CB TYR A 49 6.948 -0.520 -5.734 1.00 0.00 C ATOM 736 CG TYR A 49 6.468 -0.329 -7.157 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.007 0.904 -7.595 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.467 -1.386 -8.059 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.560 1.082 -8.890 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.024 -1.217 -9.357 1.00 0.00 C ATOM 741 CZ TYR A 49 5.572 0.018 -9.766 1.00 0.00 C ATOM 742 OH TYR A 49 5.136 0.191 -11.061 1.00 0.00 O ATOM 0 H TYR A 49 8.501 2.128 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 49 8.772 -0.533 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.960 -1.587 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.226 -0.061 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.997 1.740 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.818 -2.356 -7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.203 2.049 -9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.032 -2.048 -10.046 1.00 0.00 H new ATOM 0 HH TYR A 49 5.211 -0.657 -11.547 1.00 0.00 H new ATOM 752 N LYS A 50 9.796 -1.223 -6.885 1.00 0.00 N ATOM 753 CA LYS A 50 10.713 -1.451 -7.985 1.00 0.00 C ATOM 754 C LYS A 50 9.999 -2.153 -9.133 1.00 0.00 C ATOM 755 O LYS A 50 8.899 -2.662 -8.949 1.00 0.00 O ATOM 756 CB LYS A 50 11.894 -2.292 -7.507 1.00 0.00 C ATOM 757 CG LYS A 50 13.138 -1.474 -7.185 1.00 0.00 C ATOM 758 CD LYS A 50 14.116 -1.463 -8.345 1.00 0.00 C ATOM 759 CE LYS A 50 15.453 -2.078 -7.962 1.00 0.00 C ATOM 760 NZ LYS A 50 16.347 -2.225 -9.139 1.00 0.00 N ATOM 0 H LYS A 50 9.606 -2.052 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 50 11.081 -0.490 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.596 -2.849 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.141 -3.025 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.849 -0.451 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.626 -1.885 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.690 -2.013 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.270 -0.438 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.939 -1.454 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.287 -3.054 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.249 -2.647 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.894 -2.840 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.525 -1.290 -9.559 1.00 0.00 H new ATOM 774 N LEU A 51 10.635 -2.142 -10.305 1.00 0.00 N ATOM 775 CA LEU A 51 10.092 -2.702 -11.555 1.00 0.00 C ATOM 776 C LEU A 51 9.131 -3.885 -11.353 1.00 0.00 C ATOM 777 O LEU A 51 8.029 -3.893 -11.903 1.00 0.00 O ATOM 778 CB LEU A 51 11.246 -3.105 -12.488 1.00 0.00 C ATOM 779 CG LEU A 51 12.039 -4.355 -12.088 1.00 0.00 C ATOM 780 CD1 LEU A 51 12.816 -4.886 -13.281 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.980 -4.059 -10.928 1.00 0.00 C ATOM 0 H LEU A 51 11.563 -1.736 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 51 9.493 -1.912 -12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.839 -3.263 -13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.940 -2.267 -12.556 1.00 0.00 H new ATOM 0 HG LEU A 51 11.332 -5.117 -11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.375 -5.774 -12.985 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.122 -5.144 -14.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.508 -4.122 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.529 -4.963 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.683 -3.279 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.402 -3.723 -10.067 1.00 0.00 H new ATOM 793 N GLY A 52 9.538 -4.874 -10.569 1.00 0.00 N ATOM 794 CA GLY A 52 8.682 -6.022 -10.337 1.00 0.00 C ATOM 795 C GLY A 52 8.637 -6.425 -8.883 1.00 0.00 C ATOM 796 O GLY A 52 8.233 -7.541 -8.552 1.00 0.00 O ATOM 0 H GLY A 52 10.439 -4.903 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.673 -5.793 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.038 -6.863 -10.933 1.00 0.00 H new ATOM 800 N ARG A 53 9.027 -5.513 -8.006 1.00 0.00 N ATOM 801 CA ARG A 53 9.025 -5.790 -6.578 1.00 0.00 C ATOM 802 C ARG A 53 8.328 -4.681 -5.808 1.00 0.00 C ATOM 803 O ARG A 53 8.741 -3.523 -5.873 1.00 0.00 O ATOM 804 CB ARG A 53 10.456 -5.937 -6.050 1.00 0.00 C ATOM 805 CG ARG A 53 11.353 -6.821 -6.898 1.00 0.00 C ATOM 806 CD ARG A 53 12.000 -7.911 -6.066 1.00 0.00 C ATOM 807 NE ARG A 53 13.454 -7.821 -6.085 1.00 0.00 N ATOM 808 CZ ARG A 53 14.231 -8.059 -5.026 1.00 0.00 C ATOM 809 NH1 ARG A 53 13.695 -8.462 -3.879 1.00 0.00 N ATOM 810 NH2 ARG A 53 15.545 -7.920 -5.125 1.00 0.00 N ATOM 0 H ARG A 53 9.348 -4.578 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 53 8.485 -6.725 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.906 -4.947 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.417 -6.344 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.769 -7.272 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.126 -6.213 -7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.646 -7.841 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.692 -8.886 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 53 13.906 -7.560 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.686 -8.591 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.293 -8.643 -3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.962 -7.631 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.139 -8.102 -4.316 1.00 0.00 H new ATOM 824 N LYS A 54 7.418 -5.066 -4.925 1.00 0.00 N ATOM 825 CA LYS A 54 6.828 -4.117 -3.991 1.00 0.00 C ATOM 826 C LYS A 54 7.725 -4.010 -2.765 1.00 0.00 C ATOM 827 O LYS A 54 7.340 -4.366 -1.648 1.00 0.00 O ATOM 828 CB LYS A 54 5.411 -4.536 -3.585 1.00 0.00 C ATOM 829 CG LYS A 54 5.166 -6.036 -3.642 1.00 0.00 C ATOM 830 CD LYS A 54 4.429 -6.530 -2.409 1.00 0.00 C ATOM 831 CE LYS A 54 5.396 -6.950 -1.315 1.00 0.00 C ATOM 832 NZ LYS A 54 5.868 -8.346 -1.502 1.00 0.00 N ATOM 0 H LYS A 54 7.074 -6.022 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 54 6.749 -3.145 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.216 -4.185 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.695 -4.037 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.587 -6.277 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.119 -6.558 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.774 -5.743 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.793 -7.373 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.252 -6.275 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.909 -6.858 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.394 -8.967 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.644 -8.662 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.897 -8.387 -1.354 1.00 0.00 H new ATOM 846 N LEU A 55 8.958 -3.611 -3.016 1.00 0.00 N ATOM 847 CA LEU A 55 9.973 -3.535 -1.986 1.00 0.00 C ATOM 848 C LEU A 55 10.207 -2.083 -1.598 1.00 0.00 C ATOM 849 O LEU A 55 10.044 -1.180 -2.422 1.00 0.00 O ATOM 850 CB LEU A 55 11.264 -4.213 -2.477 1.00 0.00 C ATOM 851 CG LEU A 55 12.516 -3.336 -2.542 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.750 -4.161 -2.223 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.647 -2.696 -3.916 1.00 0.00 C ATOM 0 H LEU A 55 9.283 -3.331 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 55 9.637 -4.065 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.474 -5.059 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.079 -4.617 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 55 12.424 -2.543 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.635 -3.526 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.659 -4.579 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.843 -4.971 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.543 -2.076 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.721 -3.475 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.771 -2.078 -4.115 1.00 0.00 H new ATOM 865 N CYS A 56 10.466 -1.857 -0.319 1.00 0.00 N ATOM 866 CA CYS A 56 10.615 -0.512 0.202 1.00 0.00 C ATOM 867 C CYS A 56 11.898 0.140 -0.286 1.00 0.00 C ATOM 868 O CYS A 56 12.851 -0.539 -0.666 1.00 0.00 O ATOM 869 CB CYS A 56 10.598 -0.549 1.724 1.00 0.00 C ATOM 870 SG CYS A 56 9.279 -1.597 2.411 1.00 0.00 S ATOM 0 H CYS A 56 10.577 -2.593 0.378 1.00 0.00 H new ATOM 0 HA CYS A 56 9.780 0.086 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.562 -0.911 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.479 0.466 2.103 1.00 0.00 H new ATOM 875 N ARG A 57 11.964 1.450 -0.123 1.00 0.00 N ATOM 876 CA ARG A 57 13.179 2.190 -0.419 1.00 0.00 C ATOM 877 C ARG A 57 14.254 1.810 0.577 1.00 0.00 C ATOM 878 O ARG A 57 15.425 1.742 0.236 1.00 0.00 O ATOM 879 CB ARG A 57 12.937 3.701 -0.370 1.00 0.00 C ATOM 880 CG ARG A 57 14.217 4.529 -0.308 1.00 0.00 C ATOM 881 CD ARG A 57 14.426 5.314 -1.589 1.00 0.00 C ATOM 882 NE ARG A 57 15.797 5.811 -1.736 1.00 0.00 N ATOM 883 CZ ARG A 57 16.193 6.634 -2.715 1.00 0.00 C ATOM 884 NH1 ARG A 57 15.305 7.165 -3.546 1.00 0.00 N ATOM 885 NH2 ARG A 57 17.471 6.957 -2.837 1.00 0.00 N ATOM 0 H ARG A 57 11.190 2.024 0.213 1.00 0.00 H new ATOM 0 HA ARG A 57 13.500 1.934 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.367 3.997 -1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.323 3.933 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.169 5.215 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.070 3.872 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.181 4.680 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.735 6.157 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 57 16.491 5.512 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.314 6.947 -3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 15.613 7.791 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.157 6.579 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.769 7.584 -3.584 1.00 0.00 H new ATOM 899 N ARG A 58 13.841 1.539 1.804 1.00 0.00 N ATOM 900 CA ARG A 58 14.773 1.140 2.847 1.00 0.00 C ATOM 901 C ARG A 58 15.228 -0.296 2.624 1.00 0.00 C ATOM 902 O ARG A 58 16.388 -0.628 2.855 1.00 0.00 O ATOM 903 CB ARG A 58 14.133 1.293 4.226 1.00 0.00 C ATOM 904 CG ARG A 58 13.682 2.715 4.538 1.00 0.00 C ATOM 905 CD ARG A 58 14.552 3.758 3.847 1.00 0.00 C ATOM 906 NE ARG A 58 13.799 4.966 3.523 1.00 0.00 N ATOM 907 CZ ARG A 58 14.303 6.017 2.877 1.00 0.00 C ATOM 908 NH1 ARG A 58 15.574 6.009 2.484 1.00 0.00 N ATOM 909 NH2 ARG A 58 13.536 7.073 2.629 1.00 0.00 N ATOM 0 H ARG A 58 12.867 1.588 2.103 1.00 0.00 H new ATOM 0 HA ARG A 58 15.645 1.792 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.274 0.626 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.846 0.973 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.646 2.843 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.711 2.876 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.392 4.016 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.970 3.335 2.934 1.00 0.00 H new ATOM 0 HE ARG A 58 12.821 5.008 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.162 5.199 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.960 6.813 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.562 7.079 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.921 7.878 2.135 1.00 0.00 H new ATOM 923 N ASP A 59 14.348 -1.100 2.041 1.00 0.00 N ATOM 924 CA ASP A 59 14.697 -2.463 1.654 1.00 0.00 C ATOM 925 C ASP A 59 15.694 -2.425 0.514 1.00 0.00 C ATOM 926 O ASP A 59 16.742 -3.066 0.557 1.00 0.00 O ATOM 927 CB ASP A 59 13.449 -3.244 1.218 1.00 0.00 C ATOM 928 CG ASP A 59 12.710 -3.859 2.382 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.383 -4.190 3.371 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.470 -4.058 2.290 1.00 0.00 O ATOM 0 H ASP A 59 13.387 -0.833 1.825 1.00 0.00 H new ATOM 0 HA ASP A 59 15.137 -2.966 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.777 -2.576 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.742 -4.031 0.523 1.00 0.00 H new ATOM 935 N TYR A 60 15.392 -1.589 -0.463 1.00 0.00 N ATOM 936 CA TYR A 60 16.254 -1.381 -1.608 1.00 0.00 C ATOM 937 C TYR A 60 17.563 -0.716 -1.169 1.00 0.00 C ATOM 938 O TYR A 60 18.630 -0.994 -1.709 1.00 0.00 O ATOM 939 CB TYR A 60 15.477 -0.541 -2.636 1.00 0.00 C ATOM 940 CG TYR A 60 16.271 0.495 -3.395 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.454 1.777 -2.887 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.805 0.196 -4.639 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.153 2.729 -3.602 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.502 1.142 -5.364 1.00 0.00 C ATOM 945 CZ TYR A 60 17.677 2.407 -4.839 1.00 0.00 C ATOM 946 OH TYR A 60 18.365 3.361 -5.554 1.00 0.00 O ATOM 0 H TYR A 60 14.537 -1.033 -0.483 1.00 0.00 H new ATOM 0 HA TYR A 60 16.533 -2.328 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.023 -1.219 -3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.662 -0.035 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.044 2.031 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.673 -0.795 -5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.289 3.721 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.907 0.894 -6.334 1.00 0.00 H new ATOM 0 HH TYR A 60 18.670 2.977 -6.402 1.00 0.00 H new ATOM 956 N LEU A 61 17.471 0.087 -0.116 1.00 0.00 N ATOM 957 CA LEU A 61 18.623 0.768 0.465 1.00 0.00 C ATOM 958 C LEU A 61 19.485 -0.200 1.274 1.00 0.00 C ATOM 959 O LEU A 61 20.619 0.121 1.635 1.00 0.00 O ATOM 960 CB LEU A 61 18.135 1.906 1.370 1.00 0.00 C ATOM 961 CG LEU A 61 18.930 3.213 1.307 1.00 0.00 C ATOM 962 CD1 LEU A 61 18.714 3.904 -0.030 1.00 0.00 C ATOM 963 CD2 LEU A 61 18.528 4.131 2.457 1.00 0.00 C ATOM 0 H LEU A 61 16.592 0.285 0.361 1.00 0.00 H new ATOM 0 HA LEU A 61 19.233 1.170 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.098 2.124 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.143 1.551 2.400 1.00 0.00 H new ATOM 0 HG LEU A 61 19.991 2.981 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.287 4.831 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.046 3.249 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.655 4.128 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.101 5.057 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.464 4.357 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.732 3.636 3.406 1.00 0.00 H new ATOM 975 N ARG A 62 18.914 -1.351 1.618 1.00 0.00 N ATOM 976 CA ARG A 62 19.598 -2.331 2.452 1.00 0.00 C ATOM 977 C ARG A 62 20.551 -3.197 1.632 1.00 0.00 C ATOM 978 O ARG A 62 21.446 -3.842 2.182 1.00 0.00 O ATOM 979 CB ARG A 62 18.580 -3.228 3.150 1.00 0.00 C ATOM 980 CG ARG A 62 18.677 -3.201 4.664 1.00 0.00 C ATOM 981 CD ARG A 62 17.539 -2.404 5.276 1.00 0.00 C ATOM 982 NE ARG A 62 17.888 -1.864 6.586 1.00 0.00 N ATOM 983 CZ ARG A 62 17.103 -1.939 7.659 1.00 0.00 C ATOM 984 NH1 ARG A 62 15.921 -2.535 7.589 1.00 0.00 N ATOM 985 NH2 ARG A 62 17.495 -1.409 8.806 1.00 0.00 N ATOM 0 H ARG A 62 17.975 -1.627 1.330 1.00 0.00 H new ATOM 0 HA ARG A 62 20.180 -1.783 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.577 -2.922 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.716 -4.253 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.659 -4.220 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.631 -2.765 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.270 -1.586 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.660 -3.042 5.370 1.00 0.00 H new ATOM 0 HE ARG A 62 18.791 -1.400 6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.606 -2.941 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.327 -2.588 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.400 -0.942 8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.893 -1.467 9.627 1.00 0.00 H new ATOM 999 N LEU A 63 20.317 -3.255 0.328 1.00 0.00 N ATOM 1000 CA LEU A 63 21.124 -4.091 -0.554 1.00 0.00 C ATOM 1001 C LEU A 63 21.802 -3.253 -1.632 1.00 0.00 C ATOM 1002 O LEU A 63 22.980 -3.446 -1.932 1.00 0.00 O ATOM 1003 CB LEU A 63 20.270 -5.183 -1.208 1.00 0.00 C ATOM 1004 CG LEU A 63 18.809 -4.813 -1.463 1.00 0.00 C ATOM 1005 CD1 LEU A 63 18.504 -4.832 -2.951 1.00 0.00 C ATOM 1006 CD2 LEU A 63 17.890 -5.763 -0.716 1.00 0.00 C ATOM 0 H LEU A 63 19.577 -2.735 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 63 21.892 -4.565 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.728 -5.457 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 63 20.297 -6.069 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 63 18.637 -3.802 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.459 -4.566 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.144 -4.114 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 63 18.689 -5.830 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.852 -5.489 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.065 -6.783 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 63 18.093 -5.700 0.353 1.00 0.00 H new ATOM 1018 N GLY A 64 21.049 -2.332 -2.216 1.00 0.00 N ATOM 1019 CA GLY A 64 21.587 -1.495 -3.264 1.00 0.00 C ATOM 1020 C GLY A 64 21.386 -0.027 -2.979 1.00 0.00 C ATOM 1021 O GLY A 64 21.118 0.759 -3.885 1.00 0.00 O ATOM 0 H GLY A 64 20.073 -2.151 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.652 -1.699 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.110 -1.749 -4.211 1.00 0.00 H new ATOM 1025 N GLY A 65 21.548 0.354 -1.721 1.00 0.00 N ATOM 1026 CA GLY A 65 21.429 1.739 -1.358 1.00 0.00 C ATOM 1027 C GLY A 65 22.668 2.233 -0.658 1.00 0.00 C ATOM 1028 O GLY A 65 23.744 2.289 -1.256 1.00 0.00 O ATOM 0 H GLY A 65 21.760 -0.277 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.252 2.337 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 65 20.564 1.873 -0.708 1.00 0.00 H new ATOM 1032 N SER A 66 22.529 2.554 0.613 1.00 0.00 N ATOM 1033 CA SER A 66 23.658 3.012 1.412 1.00 0.00 C ATOM 1034 C SER A 66 23.585 2.477 2.840 1.00 0.00 C ATOM 1035 O SER A 66 24.332 2.921 3.711 1.00 0.00 O ATOM 1036 CB SER A 66 23.714 4.544 1.424 1.00 0.00 C ATOM 1037 OG SER A 66 23.632 5.072 0.109 1.00 0.00 O ATOM 0 H SER A 66 21.645 2.507 1.119 1.00 0.00 H new ATOM 0 HA SER A 66 24.568 2.625 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.895 4.936 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.641 4.873 1.893 1.00 0.00 H new ATOM 0 HG SER A 66 23.669 6.051 0.147 1.00 0.00 H new ATOM 1043 N GLY A 67 22.664 1.555 3.096 1.00 0.00 N ATOM 1044 CA GLY A 67 22.502 1.058 4.447 1.00 0.00 C ATOM 1045 C GLY A 67 23.034 -0.347 4.629 1.00 0.00 C ATOM 1046 O GLY A 67 24.226 -0.591 4.449 1.00 0.00 O ATOM 0 H GLY A 67 22.036 1.148 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 67 23.015 1.727 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.445 1.077 4.711 1.00 0.00 H new ATOM 1050 N GLY A 68 22.170 -1.250 5.066 1.00 0.00 N ATOM 1051 CA GLY A 68 22.605 -2.595 5.381 1.00 0.00 C ATOM 1052 C GLY A 68 23.080 -2.696 6.817 1.00 0.00 C ATOM 1053 O GLY A 68 24.043 -3.401 7.118 1.00 0.00 O ATOM 0 H GLY A 68 21.175 -1.076 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.784 -3.293 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 68 23.411 -2.886 4.707 1.00 0.00 H new ATOM 1057 N HIS A 69 22.423 -1.950 7.695 1.00 0.00 N ATOM 1058 CA HIS A 69 22.788 -1.909 9.107 1.00 0.00 C ATOM 1059 C HIS A 69 21.582 -2.250 9.969 1.00 0.00 C ATOM 1060 O HIS A 69 20.528 -2.626 9.455 1.00 0.00 O ATOM 1061 CB HIS A 69 23.311 -0.521 9.497 1.00 0.00 C ATOM 1062 CG HIS A 69 24.504 -0.066 8.718 1.00 0.00 C ATOM 1063 ND1 HIS A 69 25.775 -0.465 9.056 1.00 0.00 N ATOM 1064 CD2 HIS A 69 24.568 0.758 7.648 1.00 0.00 C ATOM 1065 CE1 HIS A 69 26.580 0.121 8.186 1.00 0.00 C ATOM 1066 NE2 HIS A 69 25.893 0.875 7.314 1.00 0.00 N ATOM 0 H HIS A 69 21.627 -1.360 7.452 1.00 0.00 H new ATOM 0 HA HIS A 69 23.577 -2.643 9.272 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.509 0.205 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 69 23.566 -0.527 10.557 1.00 0.00 H new ATOM 0 HD2 HIS A 69 23.735 1.233 7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 69 27.654 0.007 8.178 1.00 0.00 H new ATOM 0 HE2 HIS A 69 26.281 1.428 6.550 1.00 0.00 H new ATOM 1074 N MET A 70 21.726 -2.086 11.275 1.00 0.00 N ATOM 1075 CA MET A 70 20.628 -2.333 12.195 1.00 0.00 C ATOM 1076 C MET A 70 19.953 -1.019 12.569 1.00 0.00 C ATOM 1077 O MET A 70 18.727 -0.895 12.500 1.00 0.00 O ATOM 1078 CB MET A 70 21.127 -3.046 13.453 1.00 0.00 C ATOM 1079 CG MET A 70 21.726 -4.413 13.175 1.00 0.00 C ATOM 1080 SD MET A 70 21.001 -5.710 14.196 1.00 0.00 S ATOM 1081 CE MET A 70 21.112 -7.107 13.078 1.00 0.00 C ATOM 0 H MET A 70 22.592 -1.783 11.721 1.00 0.00 H new ATOM 0 HA MET A 70 19.901 -2.977 11.700 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.875 -2.422 13.942 1.00 0.00 H new ATOM 0 HB3 MET A 70 20.298 -3.156 14.152 1.00 0.00 H new ATOM 0 HG2 MET A 70 21.583 -4.661 12.123 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.801 -4.377 13.350 1.00 0.00 H new ATOM 0 HE1 MET A 70 20.702 -7.994 13.562 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.545 -6.894 12.172 1.00 0.00 H new ATOM 0 HE3 MET A 70 22.156 -7.284 12.820 1.00 0.00 H new ATOM 1091 N GLY A 71 20.765 -0.032 12.933 1.00 0.00 N ATOM 1092 CA GLY A 71 20.246 1.272 13.291 1.00 0.00 C ATOM 1093 C GLY A 71 19.687 2.014 12.095 1.00 0.00 C ATOM 1094 O GLY A 71 20.434 2.435 11.208 1.00 0.00 O ATOM 0 H GLY A 71 21.780 -0.115 12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.465 1.156 14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.040 1.865 13.745 1.00 0.00 H new ATOM 1098 N SER A 72 18.373 2.143 12.049 1.00 0.00 N ATOM 1099 CA SER A 72 17.708 2.782 10.930 1.00 0.00 C ATOM 1100 C SER A 72 17.201 4.170 11.316 1.00 0.00 C ATOM 1101 O SER A 72 17.051 4.476 12.494 1.00 0.00 O ATOM 1102 CB SER A 72 16.555 1.896 10.460 1.00 0.00 C ATOM 1103 OG SER A 72 16.553 0.656 11.157 1.00 0.00 O ATOM 0 H SER A 72 17.743 1.811 12.779 1.00 0.00 H new ATOM 0 HA SER A 72 18.421 2.909 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.607 2.410 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.643 1.716 9.389 1.00 0.00 H new ATOM 0 HG SER A 72 15.806 0.105 10.842 1.00 0.00 H new ATOM 1109 N GLY A 73 16.968 5.010 10.319 1.00 0.00 N ATOM 1110 CA GLY A 73 16.469 6.352 10.555 1.00 0.00 C ATOM 1111 C GLY A 73 17.526 7.408 10.330 1.00 0.00 C ATOM 1112 O GLY A 73 18.537 7.141 9.705 1.00 0.00 O ATOM 0 H GLY A 73 17.118 4.783 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.622 6.543 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.099 6.424 11.578 1.00 0.00 H new ATOM 1116 N GLY A 74 17.313 8.593 10.874 1.00 0.00 N ATOM 1117 CA GLY A 74 18.310 9.642 10.777 1.00 0.00 C ATOM 1118 C GLY A 74 19.220 9.643 11.985 1.00 0.00 C ATOM 1119 O GLY A 74 18.810 9.225 13.065 1.00 0.00 O ATOM 0 H GLY A 74 16.467 8.851 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.902 9.503 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.816 10.610 10.689 1.00 0.00 H new ATOM 1123 N ASP A 75 20.470 10.032 11.797 1.00 0.00 N ATOM 1124 CA ASP A 75 21.440 9.991 12.887 1.00 0.00 C ATOM 1125 C ASP A 75 21.168 11.095 13.902 1.00 0.00 C ATOM 1126 O ASP A 75 21.604 12.235 13.732 1.00 0.00 O ATOM 1127 CB ASP A 75 22.866 10.115 12.347 1.00 0.00 C ATOM 1128 CG ASP A 75 23.917 9.693 13.359 1.00 0.00 C ATOM 1129 OD1 ASP A 75 23.556 9.161 14.431 1.00 0.00 O ATOM 1130 OD2 ASP A 75 25.119 9.894 13.089 1.00 0.00 O ATOM 0 H ASP A 75 20.838 10.377 10.910 1.00 0.00 H new ATOM 0 HA ASP A 75 21.337 9.028 13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 75 22.965 9.503 11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.049 11.148 12.049 1.00 0.00 H new ATOM 1135 N VAL A 76 20.436 10.749 14.950 1.00 0.00 N ATOM 1136 CA VAL A 76 20.111 11.687 16.013 1.00 0.00 C ATOM 1137 C VAL A 76 20.237 10.996 17.370 1.00 0.00 C ATOM 1138 O VAL A 76 20.321 9.767 17.435 1.00 0.00 O ATOM 1139 CB VAL A 76 18.686 12.273 15.829 1.00 0.00 C ATOM 1140 CG1 VAL A 76 17.634 11.421 16.527 1.00 0.00 C ATOM 1141 CG2 VAL A 76 18.631 13.710 16.325 1.00 0.00 C ATOM 0 H VAL A 76 20.052 9.814 15.087 1.00 0.00 H new ATOM 0 HA VAL A 76 20.817 12.516 15.968 1.00 0.00 H new ATOM 0 HB VAL A 76 18.460 12.264 14.763 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.649 11.863 16.376 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.647 10.413 16.111 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.852 11.376 17.594 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.624 14.104 16.188 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.891 13.740 17.383 1.00 0.00 H new ATOM 0 HG23 VAL A 76 19.338 14.317 15.760 1.00 0.00 H new ATOM 1151 N MET A 77 20.285 11.792 18.438 1.00 0.00 N ATOM 1152 CA MET A 77 20.420 11.272 19.796 1.00 0.00 C ATOM 1153 C MET A 77 19.354 10.223 20.090 1.00 0.00 C ATOM 1154 O MET A 77 18.175 10.431 19.808 1.00 0.00 O ATOM 1155 CB MET A 77 20.324 12.410 20.811 1.00 0.00 C ATOM 1156 CG MET A 77 21.546 13.306 20.810 1.00 0.00 C ATOM 1157 SD MET A 77 21.801 14.163 22.378 1.00 0.00 S ATOM 1158 CE MET A 77 20.380 15.253 22.411 1.00 0.00 C ATOM 0 H MET A 77 20.232 12.809 18.386 1.00 0.00 H new ATOM 0 HA MET A 77 21.399 10.799 19.879 1.00 0.00 H new ATOM 0 HB2 MET A 77 19.440 13.010 20.594 1.00 0.00 H new ATOM 0 HB3 MET A 77 20.188 11.990 21.808 1.00 0.00 H new ATOM 0 HG2 MET A 77 22.428 12.707 20.583 1.00 0.00 H new ATOM 0 HG3 MET A 77 21.448 14.043 20.013 1.00 0.00 H new ATOM 0 HE1 MET A 77 20.399 15.849 23.324 1.00 0.00 H new ATOM 0 HE2 MET A 77 20.409 15.915 21.545 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.466 14.660 22.384 1.00 0.00 H new ATOM 1168 N VAL A 78 19.781 9.076 20.603 1.00 0.00 N ATOM 1169 CA VAL A 78 18.870 7.975 20.886 1.00 0.00 C ATOM 1170 C VAL A 78 18.069 8.246 22.154 1.00 0.00 C ATOM 1171 O VAL A 78 18.570 8.080 23.268 1.00 0.00 O ATOM 1172 CB VAL A 78 19.625 6.634 21.038 1.00 0.00 C ATOM 1173 CG1 VAL A 78 18.651 5.485 21.257 1.00 0.00 C ATOM 1174 CG2 VAL A 78 20.497 6.368 19.820 1.00 0.00 C ATOM 0 H VAL A 78 20.756 8.884 20.832 1.00 0.00 H new ATOM 0 HA VAL A 78 18.191 7.898 20.037 1.00 0.00 H new ATOM 0 HB VAL A 78 20.269 6.707 21.914 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.206 4.553 21.361 1.00 0.00 H new ATOM 0 HG12 VAL A 78 18.072 5.666 22.163 1.00 0.00 H new ATOM 0 HG13 VAL A 78 17.976 5.412 20.404 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.020 5.420 19.947 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.872 6.321 18.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.225 7.172 19.711 1.00 0.00 H new ATOM 1184 N VAL A 79 16.837 8.701 21.979 1.00 0.00 N ATOM 1185 CA VAL A 79 15.965 8.997 23.106 1.00 0.00 C ATOM 1186 C VAL A 79 14.812 8.006 23.160 1.00 0.00 C ATOM 1187 O VAL A 79 13.955 8.082 24.040 1.00 0.00 O ATOM 1188 CB VAL A 79 15.386 10.428 23.043 1.00 0.00 C ATOM 1189 CG1 VAL A 79 15.880 11.254 24.220 1.00 0.00 C ATOM 1190 CG2 VAL A 79 15.729 11.113 21.726 1.00 0.00 C ATOM 0 H VAL A 79 16.418 8.874 21.065 1.00 0.00 H new ATOM 0 HA VAL A 79 16.579 8.915 24.003 1.00 0.00 H new ATOM 0 HB VAL A 79 14.300 10.350 23.101 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.463 12.259 24.160 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.564 10.785 25.152 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.968 11.311 24.193 1.00 0.00 H new ATOM 0 HG21 VAL A 79 15.306 12.117 21.717 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.812 11.175 21.619 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.315 10.538 20.898 1.00 0.00 H new ATOM 1200 N GLY A 80 14.774 7.105 22.186 1.00 0.00 N ATOM 1201 CA GLY A 80 13.690 6.151 22.098 1.00 0.00 C ATOM 1202 C GLY A 80 12.599 6.642 21.175 1.00 0.00 C ATOM 1203 O GLY A 80 11.418 6.609 21.517 1.00 0.00 O ATOM 0 H GLY A 80 15.479 7.020 21.454 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.072 5.196 21.737 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.277 5.974 23.091 1.00 0.00 H new ATOM 1207 N GLU A 81 13.008 7.175 20.033 1.00 0.00 N ATOM 1208 CA GLU A 81 12.080 7.769 19.084 1.00 0.00 C ATOM 1209 C GLU A 81 12.019 6.949 17.795 1.00 0.00 C ATOM 1210 O GLU A 81 12.964 6.232 17.469 1.00 0.00 O ATOM 1211 CB GLU A 81 12.516 9.203 18.767 1.00 0.00 C ATOM 1212 CG GLU A 81 11.968 10.234 19.737 1.00 0.00 C ATOM 1213 CD GLU A 81 10.581 10.703 19.355 1.00 0.00 C ATOM 1214 OE1 GLU A 81 10.470 11.669 18.571 1.00 0.00 O ATOM 1215 OE2 GLU A 81 9.597 10.109 19.832 1.00 0.00 O ATOM 0 H GLU A 81 13.985 7.208 19.740 1.00 0.00 H new ATOM 0 HA GLU A 81 11.086 7.779 19.531 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.605 9.253 18.774 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.192 9.458 17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.941 9.808 20.740 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.642 11.090 19.772 1.00 0.00 H new ATOM 1222 N PRO A 82 10.911 7.055 17.039 1.00 0.00 N ATOM 1223 CA PRO A 82 10.758 6.370 15.752 1.00 0.00 C ATOM 1224 C PRO A 82 11.671 6.973 14.689 1.00 0.00 C ATOM 1225 O PRO A 82 12.190 8.076 14.868 1.00 0.00 O ATOM 1226 CB PRO A 82 9.285 6.602 15.378 1.00 0.00 C ATOM 1227 CG PRO A 82 8.640 7.166 16.602 1.00 0.00 C ATOM 1228 CD PRO A 82 9.731 7.864 17.358 1.00 0.00 C ATOM 0 HA PRO A 82 11.024 5.315 15.817 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.198 7.291 14.537 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.806 5.670 15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.842 7.860 16.338 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.190 6.377 17.205 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.850 8.898 17.035 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.532 7.885 18.429 1.00 0.00 H new ATOM 1236 N THR A 83 11.832 6.262 13.574 1.00 0.00 N ATOM 1237 CA THR A 83 12.674 6.706 12.475 1.00 0.00 C ATOM 1238 C THR A 83 14.088 7.059 12.933 1.00 0.00 C ATOM 1239 O THR A 83 14.950 6.188 12.964 1.00 0.00 O ATOM 1240 CB THR A 83 12.059 7.895 11.718 1.00 0.00 C ATOM 1241 OG1 THR A 83 10.678 8.058 12.071 1.00 0.00 O ATOM 1242 CG2 THR A 83 12.174 7.663 10.227 1.00 0.00 C ATOM 0 H THR A 83 11.380 5.362 13.411 1.00 0.00 H new ATOM 0 HA THR A 83 12.739 5.859 11.792 1.00 0.00 H new ATOM 0 HB THR A 83 12.601 8.800 11.993 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.303 8.820 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.737 8.507 9.693 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.225 7.565 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.643 6.750 9.959 1.00 0.00 H new ATOM 1250 N LEU A 84 14.335 8.345 13.176 1.00 0.00 N ATOM 1251 CA LEU A 84 15.669 8.857 13.460 1.00 0.00 C ATOM 1252 C LEU A 84 16.391 8.082 14.567 1.00 0.00 C ATOM 1253 O LEU A 84 16.307 8.437 15.742 1.00 0.00 O ATOM 1254 CB LEU A 84 15.563 10.331 13.848 1.00 0.00 C ATOM 1255 CG LEU A 84 14.712 11.209 12.921 1.00 0.00 C ATOM 1256 CD1 LEU A 84 14.843 10.786 11.466 1.00 0.00 C ATOM 1257 CD2 LEU A 84 13.252 11.209 13.355 1.00 0.00 C ATOM 0 H LEU A 84 13.610 9.062 13.181 1.00 0.00 H new ATOM 0 HA LEU A 84 16.264 8.733 12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.150 10.393 14.855 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.569 10.749 13.890 1.00 0.00 H new ATOM 0 HG LEU A 84 15.093 12.227 13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.225 11.432 10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.884 10.869 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.513 9.753 11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.672 11.839 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.863 10.191 13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.174 11.597 14.371 1.00 0.00 H new ATOM 1269 N MET A 85 17.219 7.125 14.159 1.00 0.00 N ATOM 1270 CA MET A 85 18.100 6.420 15.075 1.00 0.00 C ATOM 1271 C MET A 85 19.469 6.178 14.433 1.00 0.00 C ATOM 1272 O MET A 85 20.506 6.357 15.072 1.00 0.00 O ATOM 1273 CB MET A 85 17.474 5.096 15.507 1.00 0.00 C ATOM 1274 CG MET A 85 17.832 4.696 16.927 1.00 0.00 C ATOM 1275 SD MET A 85 16.383 4.272 17.917 1.00 0.00 S ATOM 1276 CE MET A 85 15.820 2.793 17.079 1.00 0.00 C ATOM 0 H MET A 85 17.296 6.820 13.189 1.00 0.00 H new ATOM 0 HA MET A 85 18.241 7.042 15.959 1.00 0.00 H new ATOM 0 HB2 MET A 85 16.390 5.170 15.420 1.00 0.00 H new ATOM 0 HB3 MET A 85 17.796 4.310 14.824 1.00 0.00 H new ATOM 0 HG2 MET A 85 18.511 3.843 16.900 1.00 0.00 H new ATOM 0 HG3 MET A 85 18.368 5.515 17.407 1.00 0.00 H new ATOM 0 HE1 MET A 85 14.949 2.391 17.597 1.00 0.00 H new ATOM 0 HE2 MET A 85 15.551 3.037 16.051 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.617 2.050 17.078 1.00 0.00 H new ATOM 1286 N GLY A 86 19.456 5.689 13.191 1.00 0.00 N ATOM 1287 CA GLY A 86 20.694 5.311 12.525 1.00 0.00 C ATOM 1288 C GLY A 86 20.918 6.007 11.189 1.00 0.00 C ATOM 1289 O GLY A 86 21.396 7.140 11.154 1.00 0.00 O ATOM 0 H GLY A 86 18.612 5.549 12.636 1.00 0.00 H new ATOM 0 HA2 GLY A 86 21.532 5.535 13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 86 20.694 4.233 12.365 1.00 0.00 H new ATOM 1293 N GLY A 87 20.677 5.295 10.084 1.00 0.00 N ATOM 1294 CA GLY A 87 20.973 5.858 8.769 1.00 0.00 C ATOM 1295 C GLY A 87 19.981 5.455 7.687 1.00 0.00 C ATOM 1296 O GLY A 87 19.763 6.201 6.734 1.00 0.00 O ATOM 0 H GLY A 87 20.288 4.352 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.990 6.945 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.972 5.544 8.467 1.00 0.00 H new ATOM 1300 N GLU A 88 19.387 4.277 7.809 1.00 0.00 N ATOM 1301 CA GLU A 88 18.421 3.812 6.820 1.00 0.00 C ATOM 1302 C GLU A 88 17.032 4.331 7.168 1.00 0.00 C ATOM 1303 O GLU A 88 16.407 3.842 8.096 1.00 0.00 O ATOM 1304 CB GLU A 88 18.435 2.291 6.751 1.00 0.00 C ATOM 1305 CG GLU A 88 19.838 1.715 6.824 1.00 0.00 C ATOM 1306 CD GLU A 88 19.881 0.363 7.489 1.00 0.00 C ATOM 1307 OE1 GLU A 88 19.570 0.274 8.689 1.00 0.00 O ATOM 1308 OE2 GLU A 88 20.207 -0.625 6.799 1.00 0.00 O ATOM 0 H GLU A 88 19.554 3.628 8.578 1.00 0.00 H new ATOM 0 HA GLU A 88 18.695 4.199 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.838 1.889 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.962 1.969 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.245 1.632 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.481 2.405 7.371 1.00 0.00 H new ATOM 1315 N PHE A 89 16.699 5.475 6.583 1.00 0.00 N ATOM 1316 CA PHE A 89 15.540 6.285 6.983 1.00 0.00 C ATOM 1317 C PHE A 89 14.184 5.570 6.880 1.00 0.00 C ATOM 1318 O PHE A 89 14.078 4.363 7.094 1.00 0.00 O ATOM 1319 CB PHE A 89 15.539 7.563 6.148 1.00 0.00 C ATOM 1320 CG PHE A 89 16.901 8.185 6.062 1.00 0.00 C ATOM 1321 CD1 PHE A 89 17.501 8.699 7.199 1.00 0.00 C ATOM 1322 CD2 PHE A 89 17.591 8.234 4.861 1.00 0.00 C ATOM 1323 CE1 PHE A 89 18.765 9.256 7.142 1.00 0.00 C ATOM 1324 CE2 PHE A 89 18.854 8.794 4.799 1.00 0.00 C ATOM 1325 CZ PHE A 89 19.440 9.307 5.939 1.00 0.00 C ATOM 0 H PHE A 89 17.228 5.876 5.809 1.00 0.00 H new ATOM 0 HA PHE A 89 15.653 6.500 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.180 7.338 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.841 8.279 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 89 16.975 8.664 8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 89 17.139 7.832 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 89 19.223 9.650 8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 89 19.382 8.830 3.858 1.00 0.00 H new ATOM 0 HZ PHE A 89 20.425 9.747 5.890 1.00 0.00 H new ATOM 1335 N GLY A 90 13.124 6.352 6.693 1.00 0.00 N ATOM 1336 CA GLY A 90 11.785 5.807 6.740 1.00 0.00 C ATOM 1337 C GLY A 90 11.059 5.914 5.421 1.00 0.00 C ATOM 1338 O GLY A 90 11.354 5.176 4.486 1.00 0.00 O ATOM 0 H GLY A 90 13.172 7.354 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.835 4.759 7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.213 6.329 7.507 1.00 0.00 H new ATOM 1342 N ASP A 91 10.042 6.757 5.368 1.00 0.00 N ATOM 1343 CA ASP A 91 9.200 6.840 4.193 1.00 0.00 C ATOM 1344 C ASP A 91 9.166 8.254 3.611 1.00 0.00 C ATOM 1345 O ASP A 91 10.109 8.662 2.933 1.00 0.00 O ATOM 1346 CB ASP A 91 7.782 6.336 4.531 1.00 0.00 C ATOM 1347 CG ASP A 91 7.159 6.991 5.759 1.00 0.00 C ATOM 1348 OD1 ASP A 91 7.520 6.619 6.895 1.00 0.00 O ATOM 1349 OD2 ASP A 91 6.294 7.873 5.587 1.00 0.00 O ATOM 0 H ASP A 91 9.782 7.391 6.124 1.00 0.00 H new ATOM 0 HA ASP A 91 9.627 6.199 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.133 6.510 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.820 5.258 4.689 1.00 0.00 H new ATOM 1354 N GLU A 92 8.022 8.922 3.762 1.00 0.00 N ATOM 1355 CA GLU A 92 7.762 10.250 3.195 1.00 0.00 C ATOM 1356 C GLU A 92 7.466 10.157 1.702 1.00 0.00 C ATOM 1357 O GLU A 92 6.497 10.732 1.214 1.00 0.00 O ATOM 1358 CB GLU A 92 8.917 11.217 3.462 1.00 0.00 C ATOM 1359 CG GLU A 92 8.703 12.068 4.701 1.00 0.00 C ATOM 1360 CD GLU A 92 7.537 13.023 4.556 1.00 0.00 C ATOM 1361 OE1 GLU A 92 7.440 13.701 3.512 1.00 0.00 O ATOM 1362 OE2 GLU A 92 6.702 13.094 5.479 1.00 0.00 O ATOM 0 H GLU A 92 7.234 8.550 4.292 1.00 0.00 H new ATOM 0 HA GLU A 92 6.880 10.649 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.841 10.649 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.045 11.869 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.531 11.418 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.610 12.636 4.908 1.00 0.00 H new ATOM 1369 N ASP A 93 8.264 9.378 0.999 1.00 0.00 N ATOM 1370 CA ASP A 93 8.055 9.148 -0.421 1.00 0.00 C ATOM 1371 C ASP A 93 7.832 7.667 -0.684 1.00 0.00 C ATOM 1372 O ASP A 93 7.761 7.233 -1.834 1.00 0.00 O ATOM 1373 CB ASP A 93 9.265 9.638 -1.216 1.00 0.00 C ATOM 1374 CG ASP A 93 8.872 10.441 -2.437 1.00 0.00 C ATOM 1375 OD1 ASP A 93 8.578 11.645 -2.291 1.00 0.00 O ATOM 1376 OD2 ASP A 93 8.878 9.882 -3.551 1.00 0.00 O ATOM 0 H ASP A 93 9.070 8.889 1.390 1.00 0.00 H new ATOM 0 HA ASP A 93 7.172 9.702 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.896 10.250 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.863 8.781 -1.526 1.00 0.00 H new ATOM 1381 N GLU A 94 7.794 6.891 0.397 1.00 0.00 N ATOM 1382 CA GLU A 94 7.697 5.435 0.309 1.00 0.00 C ATOM 1383 C GLU A 94 6.281 4.963 -0.001 1.00 0.00 C ATOM 1384 O GLU A 94 5.463 5.722 -0.511 1.00 0.00 O ATOM 1385 CB GLU A 94 8.182 4.799 1.606 1.00 0.00 C ATOM 1386 CG GLU A 94 9.689 4.637 1.681 1.00 0.00 C ATOM 1387 CD GLU A 94 10.118 3.190 1.624 1.00 0.00 C ATOM 1388 OE1 GLU A 94 9.459 2.398 0.922 1.00 0.00 O ATOM 1389 OE2 GLU A 94 11.130 2.835 2.266 1.00 0.00 O ATOM 0 H GLU A 94 7.829 7.249 1.351 1.00 0.00 H new ATOM 0 HA GLU A 94 8.333 5.121 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.849 5.409 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.714 3.821 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.151 5.182 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.054 5.085 2.605 1.00 0.00 H new ATOM 1396 N ARG A 95 6.038 3.675 0.238 1.00 0.00 N ATOM 1397 CA ARG A 95 4.768 3.026 -0.088 1.00 0.00 C ATOM 1398 C ARG A 95 3.616 3.544 0.781 1.00 0.00 C ATOM 1399 O ARG A 95 3.112 2.836 1.652 1.00 0.00 O ATOM 1400 CB ARG A 95 4.917 1.509 0.086 1.00 0.00 C ATOM 1401 CG ARG A 95 4.114 0.676 -0.905 1.00 0.00 C ATOM 1402 CD ARG A 95 4.999 -0.282 -1.694 1.00 0.00 C ATOM 1403 NE ARG A 95 5.528 -1.362 -0.859 1.00 0.00 N ATOM 1404 CZ ARG A 95 6.728 -1.328 -0.272 1.00 0.00 C ATOM 1405 NH1 ARG A 95 7.577 -0.348 -0.547 1.00 0.00 N ATOM 1406 NH2 ARG A 95 7.103 -2.306 0.539 1.00 0.00 N ATOM 0 H ARG A 95 6.720 3.049 0.666 1.00 0.00 H new ATOM 0 HA ARG A 95 4.523 3.264 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.971 1.247 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.612 1.241 1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.353 0.109 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.591 1.338 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.426 -0.709 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.827 0.272 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 95 4.947 -2.188 -0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.315 0.383 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.492 -0.325 -0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.475 -3.089 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.020 -2.276 0.985 1.00 0.00 H new ATOM 1420 N LEU A 96 3.169 4.757 0.498 1.00 0.00 N ATOM 1421 CA LEU A 96 2.050 5.353 1.211 1.00 0.00 C ATOM 1422 C LEU A 96 0.758 5.132 0.434 1.00 0.00 C ATOM 1423 O LEU A 96 0.278 6.015 -0.285 1.00 0.00 O ATOM 1424 CB LEU A 96 2.301 6.844 1.425 1.00 0.00 C ATOM 1425 CG LEU A 96 3.630 7.182 2.100 1.00 0.00 C ATOM 1426 CD1 LEU A 96 4.295 8.356 1.405 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.415 7.488 3.571 1.00 0.00 C ATOM 0 H LEU A 96 3.568 5.353 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 96 1.953 4.875 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.263 7.346 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.490 7.251 2.028 1.00 0.00 H new ATOM 0 HG LEU A 96 4.288 6.317 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.240 8.583 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.482 8.103 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.641 9.227 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.371 7.727 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.741 8.338 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.979 6.619 4.063 1.00 0.00 H new ATOM 1439 N ILE A 97 0.254 3.910 0.517 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.921 3.502 -0.240 1.00 0.00 C ATOM 1441 C ILE A 97 -2.172 4.225 0.233 1.00 0.00 C ATOM 1442 O ILE A 97 -2.276 4.625 1.393 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.167 1.981 -0.152 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.130 1.306 0.746 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.155 1.366 -1.541 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.732 0.646 1.966 1.00 0.00 C ATOM 0 H ILE A 97 0.645 3.176 1.108 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.716 3.770 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.148 1.819 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.410 0.557 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.601 2.049 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.330 0.293 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.940 1.819 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.187 1.544 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.059 0.187 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.248 1.395 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.442 -0.120 1.653 1.00 0.00 H new ATOM 1458 N THR A 98 -3.124 4.369 -0.674 1.00 0.00 N ATOM 1459 CA THR A 98 -4.366 5.032 -0.386 1.00 0.00 C ATOM 1460 C THR A 98 -5.416 4.035 0.066 1.00 0.00 C ATOM 1461 O THR A 98 -5.876 3.196 -0.713 1.00 0.00 O ATOM 1462 CB THR A 98 -4.853 5.782 -1.627 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.005 5.470 -2.747 1.00 0.00 O ATOM 1464 CG2 THR A 98 -4.807 7.264 -1.364 1.00 0.00 C ATOM 0 H THR A 98 -3.048 4.025 -1.631 1.00 0.00 H new ATOM 0 HA THR A 98 -4.200 5.744 0.423 1.00 0.00 H new ATOM 0 HB THR A 98 -5.876 5.480 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.219 4.573 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.154 7.801 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.451 7.503 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.783 7.562 -1.137 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.739 4.089 1.346 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.713 3.177 1.926 1.00 0.00 C ATOM 1474 C ARG A 99 -8.104 3.530 1.414 1.00 0.00 C ATOM 1475 O ARG A 99 -8.700 4.508 1.863 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.684 3.267 3.451 1.00 0.00 C ATOM 1477 CG ARG A 99 -5.299 3.080 4.053 1.00 0.00 C ATOM 1478 CD ARG A 99 -5.245 1.921 5.047 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.548 1.291 5.275 1.00 0.00 N ATOM 1480 CZ ARG A 99 -6.701 0.064 5.774 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.646 -0.635 6.177 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -7.917 -0.442 5.912 1.00 0.00 N ATOM 0 H ARG A 99 -5.341 4.756 2.007 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.463 2.157 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.074 4.238 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.353 2.512 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.580 2.903 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.997 3.999 4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.545 1.170 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.854 2.285 5.997 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.386 1.822 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.711 -0.234 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.771 -1.573 6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.732 0.106 5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.039 -1.380 6.293 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.567 2.821 0.397 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.828 3.161 -0.249 1.00 0.00 C ATOM 1498 C LEU A 100 -10.938 2.216 0.181 1.00 0.00 C ATOM 1499 O LEU A 100 -10.712 1.263 0.923 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.674 3.116 -1.771 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.367 4.248 -2.535 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -9.496 5.495 -2.535 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -10.686 3.815 -3.960 1.00 0.00 C ATOM 0 H LEU A 100 -8.092 2.010 0.001 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.097 4.172 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.611 3.135 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.066 2.165 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.305 4.482 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.001 6.292 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.319 5.815 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.543 5.273 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.178 4.632 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.762 3.554 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.346 2.948 -3.938 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.120 2.447 -0.353 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.264 1.593 -0.079 1.00 0.00 C ATOM 1517 C GLU A 101 -13.741 0.929 -1.362 1.00 0.00 C ATOM 1518 O GLU A 101 -13.564 1.471 -2.455 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.408 2.389 0.558 1.00 0.00 C ATOM 1520 CG GLU A 101 -14.304 3.888 0.348 1.00 0.00 C ATOM 1521 CD GLU A 101 -15.646 4.538 0.089 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.462 3.957 -0.655 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.886 5.644 0.615 1.00 0.00 O ATOM 0 H GLU A 101 -12.317 3.224 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.951 0.824 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.355 2.039 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.430 2.182 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.849 4.343 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.640 4.087 -0.493 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.359 -0.230 -1.221 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.876 -0.972 -2.362 1.00 0.00 C ATOM 1532 C ASN A 102 -16.169 -0.345 -2.862 1.00 0.00 C ATOM 1533 O ASN A 102 -16.885 0.295 -2.098 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.129 -2.428 -1.962 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.925 -3.403 -3.107 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.009 -3.032 -4.277 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.674 -4.659 -2.774 1.00 0.00 N ATOM 0 H ASN A 102 -14.517 -0.683 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.138 -0.939 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.462 -2.695 -1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.148 -2.524 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.542 -5.363 -3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.613 -4.923 -1.791 1.00 0.00 H new ATOM 1544 N THR A 103 -16.484 -0.562 -4.132 1.00 0.00 N ATOM 1545 CA THR A 103 -17.729 -0.070 -4.703 1.00 0.00 C ATOM 1546 C THR A 103 -18.913 -0.730 -4.007 1.00 0.00 C ATOM 1547 O THR A 103 -19.832 -0.056 -3.543 1.00 0.00 O ATOM 1548 CB THR A 103 -17.785 -0.335 -6.221 1.00 0.00 C ATOM 1549 OG1 THR A 103 -16.907 0.574 -6.892 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.198 -0.180 -6.763 1.00 0.00 C ATOM 0 H THR A 103 -15.894 -1.076 -4.786 1.00 0.00 H new ATOM 0 HA THR A 103 -17.777 1.008 -4.548 1.00 0.00 H new ATOM 0 HB THR A 103 -17.470 -1.363 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.939 0.407 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.200 -0.374 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.859 -0.890 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.550 0.835 -6.577 1.00 0.00 H new ATOM 1558 N GLN A 104 -18.785 -2.026 -3.774 1.00 0.00 N ATOM 1559 CA GLN A 104 -19.749 -2.756 -2.975 1.00 0.00 C ATOM 1560 C GLN A 104 -19.257 -2.829 -1.536 1.00 0.00 C ATOM 1561 O GLN A 104 -18.940 -3.898 -1.020 1.00 0.00 O ATOM 1562 CB GLN A 104 -19.965 -4.160 -3.541 1.00 0.00 C ATOM 1563 CG GLN A 104 -20.589 -4.167 -4.928 1.00 0.00 C ATOM 1564 CD GLN A 104 -21.375 -5.433 -5.214 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -21.221 -6.439 -4.369 1.00 0.00 O flip ATOM 1566 NE2 GLN A 104 -22.120 -5.506 -6.191 1.00 0.00 N flip ATOM 0 H GLN A 104 -18.017 -2.595 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 104 -20.705 -2.234 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -19.007 -4.679 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -20.605 -4.723 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -21.249 -3.305 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -19.803 -4.056 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -22.214 -4.710 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -22.644 -6.363 -6.370 1.00 0.00 H new ATOM 1575 N PHE A 105 -19.103 -1.663 -0.931 1.00 0.00 N ATOM 1576 CA PHE A 105 -18.600 -1.562 0.430 1.00 0.00 C ATOM 1577 C PHE A 105 -19.661 -2.043 1.414 1.00 0.00 C ATOM 1578 O PHE A 105 -19.320 -2.519 2.495 1.00 0.00 O ATOM 1579 CB PHE A 105 -18.168 -0.117 0.718 1.00 0.00 C ATOM 1580 CG PHE A 105 -18.552 0.411 2.071 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -17.807 0.088 3.195 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -19.648 1.246 2.212 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -18.148 0.593 4.433 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -19.994 1.751 3.450 1.00 0.00 C ATOM 1585 CZ PHE A 105 -19.243 1.423 4.562 1.00 0.00 C ATOM 0 H PHE A 105 -19.321 -0.766 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 105 -17.726 -2.202 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.085 -0.052 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.600 0.532 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -16.952 -0.565 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -20.238 1.505 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -17.558 0.339 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -20.851 2.401 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 105 -19.512 1.816 5.531 1.00 0.00 H new ATOM 1595 N ASP A 106 -20.925 -1.957 0.964 1.00 0.00 N ATOM 1596 CA ASP A 106 -22.136 -2.421 1.676 1.00 0.00 C ATOM 1597 C ASP A 106 -21.851 -3.131 2.988 1.00 0.00 C ATOM 1598 O ASP A 106 -22.214 -2.638 4.058 1.00 0.00 O ATOM 1599 CB ASP A 106 -22.921 -3.366 0.769 1.00 0.00 C ATOM 1600 CG ASP A 106 -24.417 -3.279 0.988 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -24.947 -2.150 1.063 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -25.075 -4.338 1.081 1.00 0.00 O ATOM 0 H ASP A 106 -21.143 -1.546 0.057 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.707 -1.525 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.696 -3.134 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.591 -4.390 0.946 1.00 0.00 H new ATOM 1607 N ALA A 107 -21.253 -4.315 2.873 1.00 0.00 N ATOM 1608 CA ALA A 107 -20.907 -5.147 4.021 1.00 0.00 C ATOM 1609 C ALA A 107 -22.161 -5.755 4.629 1.00 0.00 C ATOM 1610 O ALA A 107 -22.577 -5.391 5.731 1.00 0.00 O ATOM 1611 CB ALA A 107 -20.117 -4.359 5.059 1.00 0.00 C ATOM 0 H ALA A 107 -20.994 -4.725 1.976 1.00 0.00 H new ATOM 0 HA ALA A 107 -20.266 -5.957 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -19.875 -5.007 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -19.196 -3.988 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -20.715 -3.517 5.409 1.00 0.00 H new ATOM 1617 N ALA A 108 -22.822 -6.595 3.843 1.00 0.00 N ATOM 1618 CA ALA A 108 -24.100 -7.183 4.232 1.00 0.00 C ATOM 1619 C ALA A 108 -23.955 -8.142 5.411 1.00 0.00 C ATOM 1620 O ALA A 108 -24.937 -8.478 6.073 1.00 0.00 O ATOM 1621 CB ALA A 108 -24.719 -7.903 3.044 1.00 0.00 C ATOM 0 H ALA A 108 -22.491 -6.887 2.923 1.00 0.00 H new ATOM 0 HA ALA A 108 -24.754 -6.372 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -25.673 -8.340 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -24.881 -7.193 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -24.047 -8.692 2.707 1.00 0.00 H new ATOM 1627 N ASN A 109 -22.746 -8.633 5.630 1.00 0.00 N ATOM 1628 CA ASN A 109 -22.497 -9.618 6.677 1.00 0.00 C ATOM 1629 C ASN A 109 -21.392 -9.142 7.621 1.00 0.00 C ATOM 1630 O ASN A 109 -20.459 -9.883 7.931 1.00 0.00 O ATOM 1631 CB ASN A 109 -22.125 -10.963 6.048 1.00 0.00 C ATOM 1632 CG ASN A 109 -22.184 -12.115 7.033 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -22.947 -12.088 8.001 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -21.370 -13.132 6.796 1.00 0.00 N ATOM 0 H ASN A 109 -21.918 -8.367 5.097 1.00 0.00 H new ATOM 0 HA ASN A 109 -23.408 -9.741 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -22.800 -11.168 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -21.119 -10.898 5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -21.358 -13.934 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -20.754 -13.114 5.983 1.00 0.00 H new ATOM 1641 N GLY A 110 -21.473 -7.883 8.033 1.00 0.00 N ATOM 1642 CA GLY A 110 -20.462 -7.325 8.914 1.00 0.00 C ATOM 1643 C GLY A 110 -19.164 -7.052 8.186 1.00 0.00 C ATOM 1644 O GLY A 110 -19.123 -6.230 7.277 1.00 0.00 O ATOM 0 H GLY A 110 -22.219 -7.238 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.834 -6.399 9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.278 -8.015 9.737 1.00 0.00 H new ATOM 1648 N ILE A 111 -18.125 -7.808 8.512 1.00 0.00 N ATOM 1649 CA ILE A 111 -16.855 -7.691 7.806 1.00 0.00 C ATOM 1650 C ILE A 111 -16.789 -8.728 6.685 1.00 0.00 C ATOM 1651 O ILE A 111 -15.774 -9.392 6.472 1.00 0.00 O ATOM 1652 CB ILE A 111 -15.646 -7.851 8.754 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -15.972 -7.275 10.136 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -14.422 -7.156 8.172 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -15.322 -8.029 11.274 1.00 0.00 C ATOM 0 H ILE A 111 -18.135 -8.505 9.256 1.00 0.00 H new ATOM 0 HA ILE A 111 -16.802 -6.688 7.382 1.00 0.00 H new ATOM 0 HB ILE A 111 -15.428 -8.914 8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -15.652 -6.234 10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -17.053 -7.281 10.277 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -13.578 -7.277 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -14.177 -7.598 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.634 -6.095 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -15.597 -7.565 12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -15.661 -9.065 11.265 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -14.239 -8.001 11.157 1.00 0.00 H new ATOM 1667 N ASP A 112 -17.902 -8.852 5.979 1.00 0.00 N ATOM 1668 CA ASP A 112 -18.039 -9.776 4.862 1.00 0.00 C ATOM 1669 C ASP A 112 -19.212 -9.329 4.004 1.00 0.00 C ATOM 1670 O ASP A 112 -20.220 -8.858 4.530 1.00 0.00 O ATOM 1671 CB ASP A 112 -18.265 -11.209 5.362 1.00 0.00 C ATOM 1672 CG ASP A 112 -18.763 -12.147 4.273 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -18.077 -12.285 3.238 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -19.840 -12.760 4.457 1.00 0.00 O ATOM 0 H ASP A 112 -18.745 -8.309 6.167 1.00 0.00 H new ATOM 0 HA ASP A 112 -17.121 -9.770 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.331 -11.597 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.987 -11.193 6.179 1.00 0.00 H new ATOM 1679 N ASP A 113 -19.050 -9.375 2.694 1.00 0.00 N ATOM 1680 CA ASP A 113 -20.098 -8.912 1.792 1.00 0.00 C ATOM 1681 C ASP A 113 -20.578 -10.031 0.878 1.00 0.00 C ATOM 1682 O ASP A 113 -20.010 -11.123 0.863 1.00 0.00 O ATOM 1683 CB ASP A 113 -19.620 -7.726 0.957 1.00 0.00 C ATOM 1684 CG ASP A 113 -20.776 -6.865 0.491 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -21.744 -6.705 1.265 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -20.726 -6.360 -0.647 1.00 0.00 O ATOM 0 H ASP A 113 -18.211 -9.725 2.230 1.00 0.00 H new ATOM 0 HA ASP A 113 -20.936 -8.589 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.930 -7.121 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -19.066 -8.090 0.092 1.00 0.00 H new ATOM 1691 N GLU A 114 -21.627 -9.756 0.124 1.00 0.00 N ATOM 1692 CA GLU A 114 -22.177 -10.723 -0.811 1.00 0.00 C ATOM 1693 C GLU A 114 -21.825 -10.315 -2.236 1.00 0.00 C ATOM 1694 O GLU A 114 -21.655 -11.200 -3.099 1.00 0.00 O ATOM 1695 CB GLU A 114 -23.695 -10.811 -0.642 1.00 0.00 C ATOM 1696 CG GLU A 114 -24.306 -12.090 -1.186 1.00 0.00 C ATOM 1697 CD GLU A 114 -25.634 -11.843 -1.869 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -26.675 -11.876 -1.184 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -25.644 -11.610 -3.094 1.00 0.00 O ATOM 1700 OXT GLU A 114 -21.704 -9.099 -2.485 1.00 0.00 O ATOM 0 H GLU A 114 -22.119 -8.863 0.141 1.00 0.00 H new ATOM 0 HA GLU A 114 -21.748 -11.704 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -23.937 -10.727 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -24.156 -9.959 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -23.615 -12.549 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -24.445 -12.800 -0.371 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -5.222 -10.300 -1.188 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.274 -3.206 3.682 1.00 0.00 ZN