USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -143:sc= 0.512 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.0969 USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -0.0613 F(o=-1.8!,f=0.46) USER MOD Set 2.2: A 74 TYR OH : rot 150:sc= 0.52 USER MOD Set 3.1: A 46 TYR OH : rot -158:sc= 1.03 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 155:sc= 0.989 (180deg=0.6) USER MOD Set 4.1: A 39 HIS : no HE2:sc= 0.824 K(o=1.2,f=-5.1!) USER MOD Set 4.2: A 42 GLN : amide:sc= 0.378 K(o=1.2,f=-3.5!) USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 31 ASN : amide:sc= 2.09 K(o=2.7,f=-8.8!) USER MOD Set 5.3: A 33 HIS : no HE2:sc= 0.602 K(o=2.7,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.944 (180deg=0.931) USER MOD Single : A 8 THR OG1 : rot -77:sc= 0.116 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.867 K(o=0.87,f=-0.19) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0176 USER MOD Single : A 18 HIS : no HE2:sc= 0.448 K(o=0.45,f=-2!) USER MOD Single : A 26 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 1.29 (180deg=-0.287) USER MOD Single : A 40 SER OG : rot 87:sc= 1.88 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= -0.145 USER MOD Single : A 49 THR OG1 : rot 120:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.267 K(o=-0.27,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= 0.412 (180deg=-0.836!) USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= 0.809 (180deg=-1.08) USER MOD Single : A 56 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.0029) USER MOD Single : A 62 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.82) USER MOD Single : A 64 MET CE :methyl 166:sc= -0.0476 (180deg=-0.319) USER MOD Single : A 65 SER OG : rot 91:sc= 0.998 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 70 ASN : amide:sc= 0.504 K(o=0.5,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.89 (180deg=0.894) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 164:sc= -0.0542 (180deg=-0.387) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= 0.716 (180deg=-0.297!) USER MOD Single : A 92 ASN : amide:sc= 0.229 K(o=0.23,f=-2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 152:sc= 1.12 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= 0.944 (180deg=-0.0638) USER MOD Single : A 100 LYS NZ :NH3+ 143:sc= -0.403! (180deg=-0.908!) USER MOD Single : A 102 THR OG1 : rot -27:sc= 0.553 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -14.002 -9.394 -0.351 1.00 0.00 N ATOM 85 CA GLY A 1 -14.523 -8.367 -1.241 1.00 0.00 C ATOM 86 C GLY A 1 -14.414 -8.884 -2.677 1.00 0.00 C ATOM 87 O GLY A 1 -14.364 -10.094 -2.897 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.598 -9.451 0.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.007 -10.312 -0.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.028 -9.154 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.561 -8.141 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.959 -7.441 -1.126 1.00 0.00 H new ATOM 91 N SER A 2 -14.342 -7.996 -3.664 1.00 0.00 N ATOM 92 CA SER A 2 -14.238 -8.343 -5.094 1.00 0.00 C ATOM 93 C SER A 2 -13.064 -7.649 -5.790 1.00 0.00 C ATOM 94 O SER A 2 -12.888 -6.435 -5.683 1.00 0.00 O ATOM 95 CB SER A 2 -15.550 -8.026 -5.810 1.00 0.00 C ATOM 96 OG SER A 2 -15.384 -8.195 -7.208 1.00 0.00 O ATOM 0 H SER A 2 -14.354 -6.990 -3.497 1.00 0.00 H new ATOM 0 HA SER A 2 -14.044 -9.414 -5.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.342 -8.681 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.857 -7.003 -5.591 1.00 0.00 H new ATOM 0 HG SER A 2 -16.227 -7.993 -7.664 1.00 0.00 H new ATOM 102 N ALA A 3 -12.260 -8.407 -6.551 1.00 0.00 N ATOM 103 CA ALA A 3 -10.991 -7.912 -7.108 1.00 0.00 C ATOM 104 C ALA A 3 -11.168 -6.721 -8.071 1.00 0.00 C ATOM 105 O ALA A 3 -10.271 -5.885 -8.179 1.00 0.00 O ATOM 106 CB ALA A 3 -10.238 -9.075 -7.768 1.00 0.00 C ATOM 0 H ALA A 3 -12.469 -9.375 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.397 -7.519 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.297 -8.711 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.034 -9.845 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.847 -9.496 -8.568 1.00 0.00 H new ATOM 112 N LYS A 4 -12.338 -6.578 -8.716 1.00 0.00 N ATOM 113 CA LYS A 4 -12.666 -5.384 -9.516 1.00 0.00 C ATOM 114 C LYS A 4 -13.339 -4.237 -8.762 1.00 0.00 C ATOM 115 O LYS A 4 -13.277 -3.119 -9.260 1.00 0.00 O ATOM 116 CB LYS A 4 -13.396 -5.763 -10.819 1.00 0.00 C ATOM 117 CG LYS A 4 -12.387 -5.999 -11.960 1.00 0.00 C ATOM 118 CD LYS A 4 -11.843 -4.673 -12.537 1.00 0.00 C ATOM 119 CE LYS A 4 -10.434 -4.805 -13.137 1.00 0.00 C ATOM 120 NZ LYS A 4 -10.421 -5.566 -14.412 1.00 0.00 N ATOM 0 H LYS A 4 -13.078 -7.280 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.699 -4.957 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.990 -6.663 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.089 -4.969 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.557 -6.601 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.866 -6.570 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.526 -4.312 -13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.826 -3.921 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.022 -3.810 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.782 -5.300 -12.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.447 -5.624 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.787 -6.525 -14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.020 -5.082 -15.111 1.00 0.00 H new ATOM 134 N LYS A 5 -13.884 -4.476 -7.567 1.00 0.00 N ATOM 135 CA LYS A 5 -14.262 -3.418 -6.605 1.00 0.00 C ATOM 136 C LYS A 5 -13.025 -2.799 -5.962 1.00 0.00 C ATOM 137 O LYS A 5 -12.887 -1.583 -5.984 1.00 0.00 O ATOM 138 CB LYS A 5 -15.226 -3.931 -5.517 1.00 0.00 C ATOM 139 CG LYS A 5 -16.706 -3.878 -5.944 1.00 0.00 C ATOM 140 CD LYS A 5 -17.619 -3.145 -4.939 1.00 0.00 C ATOM 141 CE LYS A 5 -18.301 -4.050 -3.900 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.379 -4.597 -2.875 1.00 0.00 N ATOM 0 H LYS A 5 -14.081 -5.418 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.788 -2.652 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.964 -4.958 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.094 -3.336 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.777 -3.384 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.072 -4.896 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.027 -2.396 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.390 -2.610 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.087 -3.483 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.785 -4.879 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.902 -5.236 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.613 -5.123 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.974 -3.816 -2.320 1.00 0.00 H new ATOM 156 N GLY A 6 -12.099 -3.619 -5.458 1.00 0.00 N ATOM 157 CA GLY A 6 -10.822 -3.115 -4.946 1.00 0.00 C ATOM 158 C GLY A 6 -10.036 -2.332 -6.003 1.00 0.00 C ATOM 159 O GLY A 6 -9.460 -1.299 -5.679 1.00 0.00 O ATOM 0 H GLY A 6 -12.209 -4.631 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.007 -2.472 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.219 -3.952 -4.595 1.00 0.00 H new ATOM 163 N ALA A 7 -10.081 -2.765 -7.272 1.00 0.00 N ATOM 164 CA ALA A 7 -9.512 -2.029 -8.403 1.00 0.00 C ATOM 165 C ALA A 7 -10.161 -0.654 -8.664 1.00 0.00 C ATOM 166 O ALA A 7 -9.447 0.338 -8.816 1.00 0.00 O ATOM 167 CB ALA A 7 -9.604 -2.886 -9.667 1.00 0.00 C ATOM 0 H ALA A 7 -10.519 -3.646 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.475 -1.824 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.181 -2.339 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.048 -3.812 -9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.649 -3.119 -9.874 1.00 0.00 H new ATOM 173 N THR A 8 -11.492 -0.561 -8.793 1.00 0.00 N ATOM 174 CA THR A 8 -12.149 0.742 -9.037 1.00 0.00 C ATOM 175 C THR A 8 -11.955 1.722 -7.883 1.00 0.00 C ATOM 176 O THR A 8 -11.810 2.917 -8.132 1.00 0.00 O ATOM 177 CB THR A 8 -13.648 0.611 -9.346 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.292 -0.221 -8.416 1.00 0.00 O ATOM 179 CG2 THR A 8 -13.892 0.013 -10.731 1.00 0.00 C ATOM 0 H THR A 8 -12.130 -1.354 -8.735 1.00 0.00 H new ATOM 0 HA THR A 8 -11.652 1.140 -9.922 1.00 0.00 H new ATOM 0 HB THR A 8 -14.051 1.623 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.098 -1.158 -8.626 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.964 -0.063 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.442 0.654 -11.489 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.444 -0.979 -10.783 1.00 0.00 H new ATOM 187 N LEU A 9 -11.880 1.229 -6.643 1.00 0.00 N ATOM 188 CA LEU A 9 -11.612 1.988 -5.433 1.00 0.00 C ATOM 189 C LEU A 9 -10.157 2.476 -5.378 1.00 0.00 C ATOM 190 O LEU A 9 -9.924 3.677 -5.259 1.00 0.00 O ATOM 191 CB LEU A 9 -12.014 1.117 -4.228 1.00 0.00 C ATOM 192 CG LEU A 9 -12.095 1.959 -2.945 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.416 1.741 -2.209 1.00 0.00 C ATOM 194 CD2 LEU A 9 -10.946 1.657 -1.980 1.00 0.00 C ATOM 0 H LEU A 9 -12.013 0.236 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.207 2.901 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.978 0.646 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.288 0.315 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.023 2.997 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.436 2.353 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.245 2.024 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.511 0.690 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.047 2.276 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.976 0.605 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.995 1.874 -2.467 1.00 0.00 H new ATOM 206 N PHE A 10 -9.172 1.589 -5.558 1.00 0.00 N ATOM 207 CA PHE A 10 -7.755 1.928 -5.762 1.00 0.00 C ATOM 208 C PHE A 10 -7.537 3.069 -6.774 1.00 0.00 C ATOM 209 O PHE A 10 -6.709 3.962 -6.542 1.00 0.00 O ATOM 210 CB PHE A 10 -7.027 0.658 -6.225 1.00 0.00 C ATOM 211 CG PHE A 10 -5.564 0.835 -6.571 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.597 0.852 -5.552 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.160 0.897 -7.919 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.234 0.975 -5.873 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.793 0.982 -8.241 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.830 1.044 -7.218 1.00 0.00 C ATOM 0 H PHE A 10 -9.342 0.583 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.354 2.294 -4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.108 -0.093 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.544 0.262 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.902 0.770 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.900 0.879 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.496 1.017 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.483 1.000 -9.275 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.783 1.144 -7.465 1.00 0.00 H new ATOM 226 N LYS A 11 -8.297 3.059 -7.882 1.00 0.00 N ATOM 227 CA LYS A 11 -8.168 4.010 -9.005 1.00 0.00 C ATOM 228 C LYS A 11 -8.332 5.479 -8.582 1.00 0.00 C ATOM 229 O LYS A 11 -7.652 6.346 -9.126 1.00 0.00 O ATOM 230 CB LYS A 11 -9.166 3.626 -10.113 1.00 0.00 C ATOM 231 CG LYS A 11 -8.880 4.343 -11.441 1.00 0.00 C ATOM 232 CD LYS A 11 -9.965 4.043 -12.481 1.00 0.00 C ATOM 233 CE LYS A 11 -9.673 4.830 -13.765 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.762 4.680 -14.762 1.00 0.00 N ATOM 0 H LYS A 11 -9.038 2.373 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.150 3.935 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.130 2.548 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.177 3.867 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.823 5.418 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.909 4.029 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.993 2.975 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.945 4.316 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.544 5.885 -13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.734 4.485 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.529 5.226 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.868 3.676 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.653 5.033 -14.358 1.00 0.00 H new ATOM 248 N THR A 12 -9.176 5.755 -7.587 1.00 0.00 N ATOM 249 CA THR A 12 -9.472 7.103 -7.057 1.00 0.00 C ATOM 250 C THR A 12 -9.171 7.231 -5.553 1.00 0.00 C ATOM 251 O THR A 12 -9.749 8.060 -4.846 1.00 0.00 O ATOM 252 CB THR A 12 -10.906 7.540 -7.411 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.834 6.569 -7.004 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.095 7.733 -8.918 1.00 0.00 C ATOM 0 H THR A 12 -9.697 5.023 -7.104 1.00 0.00 H new ATOM 0 HA THR A 12 -8.791 7.796 -7.552 1.00 0.00 H new ATOM 0 HB THR A 12 -11.069 8.486 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.739 6.864 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.121 8.041 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.409 8.501 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.890 6.795 -9.434 1.00 0.00 H new ATOM 262 N ARG A 13 -8.222 6.420 -5.059 1.00 0.00 N ATOM 263 CA ARG A 13 -7.661 6.441 -3.692 1.00 0.00 C ATOM 264 C ARG A 13 -6.130 6.511 -3.697 1.00 0.00 C ATOM 265 O ARG A 13 -5.549 7.436 -3.130 1.00 0.00 O ATOM 266 CB ARG A 13 -8.117 5.185 -2.925 1.00 0.00 C ATOM 267 CG ARG A 13 -9.597 5.150 -2.514 1.00 0.00 C ATOM 268 CD ARG A 13 -9.880 5.935 -1.229 1.00 0.00 C ATOM 269 NE ARG A 13 -11.133 5.484 -0.591 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.311 6.070 -0.612 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.535 7.187 -1.253 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.292 5.527 0.040 1.00 0.00 N ATOM 0 H ARG A 13 -7.800 5.690 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.032 7.339 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.911 4.311 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.508 5.091 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.203 5.558 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.906 4.114 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.050 5.810 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.948 6.999 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.079 4.609 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.779 7.641 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.466 7.604 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.143 4.661 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.212 5.966 0.036 1.00 0.00 H new ATOM 286 N CYS A 14 -5.489 5.531 -4.336 1.00 0.00 N ATOM 287 CA CYS A 14 -4.066 5.214 -4.191 1.00 0.00 C ATOM 288 C CYS A 14 -3.299 5.424 -5.500 1.00 0.00 C ATOM 289 O CYS A 14 -2.154 5.881 -5.488 1.00 0.00 O ATOM 290 CB CYS A 14 -3.928 3.739 -3.792 1.00 0.00 C ATOM 291 SG CYS A 14 -5.110 3.060 -2.577 1.00 0.00 S ATOM 0 H CYS A 14 -5.964 4.913 -4.994 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.650 5.878 -3.433 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.003 3.140 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.923 3.594 -3.396 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.842 1.806 -2.365 1.00 0.00 H new ATOM 296 N LEU A 15 -3.936 5.136 -6.648 1.00 0.00 N ATOM 297 CA LEU A 15 -3.335 5.228 -7.980 1.00 0.00 C ATOM 298 C LEU A 15 -2.765 6.622 -8.304 1.00 0.00 C ATOM 299 O LEU A 15 -1.779 6.723 -9.038 1.00 0.00 O ATOM 300 CB LEU A 15 -4.351 4.745 -9.028 1.00 0.00 C ATOM 301 CG LEU A 15 -3.809 4.730 -10.469 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.627 3.781 -10.682 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.921 4.328 -11.437 1.00 0.00 C ATOM 0 H LEU A 15 -4.907 4.825 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.464 4.573 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.679 3.740 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.231 5.388 -8.989 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.452 5.742 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.305 3.829 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.803 4.075 -10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.931 2.762 -10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.532 4.319 -12.455 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.286 3.334 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.740 5.044 -11.368 1.00 0.00 H new ATOM 315 N GLN A 16 -3.283 7.686 -7.681 1.00 0.00 N ATOM 316 CA GLN A 16 -2.703 9.030 -7.745 1.00 0.00 C ATOM 317 C GLN A 16 -1.197 9.052 -7.401 1.00 0.00 C ATOM 318 O GLN A 16 -0.421 9.658 -8.137 1.00 0.00 O ATOM 319 CB GLN A 16 -3.541 10.022 -6.915 1.00 0.00 C ATOM 320 CG GLN A 16 -3.668 9.705 -5.412 1.00 0.00 C ATOM 321 CD GLN A 16 -4.577 10.695 -4.675 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.630 11.878 -4.965 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.322 10.270 -3.678 1.00 0.00 N ATOM 0 H GLN A 16 -4.128 7.636 -7.111 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.748 9.364 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.103 11.015 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.543 10.068 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.061 8.696 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.678 9.719 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.302 9.286 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.920 10.924 -3.173 1.00 0.00 H new ATOM 332 N CYS A 17 -0.736 8.293 -6.399 1.00 0.00 N ATOM 333 CA CYS A 17 0.649 8.350 -5.899 1.00 0.00 C ATOM 334 C CYS A 17 1.517 7.142 -6.268 1.00 0.00 C ATOM 335 O CYS A 17 2.741 7.231 -6.175 1.00 0.00 O ATOM 336 CB CYS A 17 0.638 8.488 -4.381 1.00 0.00 C ATOM 337 SG CYS A 17 -0.025 10.069 -3.781 1.00 0.00 S ATOM 0 H CYS A 17 -1.317 7.615 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 17 1.096 9.215 -6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.047 7.675 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.656 8.369 -4.009 1.00 0.00 H new ATOM 0 HG CYS A 17 0.006 10.087 -2.482 1.00 0.00 H new ATOM 342 N HIS A 18 0.897 6.038 -6.690 1.00 0.00 N ATOM 343 CA HIS A 18 1.508 4.727 -6.925 1.00 0.00 C ATOM 344 C HIS A 18 1.325 4.243 -8.379 1.00 0.00 C ATOM 345 O HIS A 18 0.755 4.937 -9.224 1.00 0.00 O ATOM 346 CB HIS A 18 0.874 3.744 -5.918 1.00 0.00 C ATOM 347 CG HIS A 18 1.415 3.885 -4.519 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.710 3.624 -4.140 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.720 4.261 -3.400 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.794 3.839 -2.820 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.604 4.229 -2.319 1.00 0.00 N ATOM 0 H HIS A 18 -0.103 6.034 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 18 2.586 4.791 -6.778 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.205 3.900 -5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.042 2.724 -6.263 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.468 3.322 -4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.324 4.533 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.694 3.716 -2.236 1.00 0.00 H new ATOM 359 N THR A 19 1.780 3.022 -8.650 1.00 0.00 N ATOM 360 CA THR A 19 1.397 2.156 -9.778 1.00 0.00 C ATOM 361 C THR A 19 1.005 0.778 -9.253 1.00 0.00 C ATOM 362 O THR A 19 1.241 0.450 -8.090 1.00 0.00 O ATOM 363 CB THR A 19 2.530 2.032 -10.806 1.00 0.00 C ATOM 364 OG1 THR A 19 3.689 1.508 -10.209 1.00 0.00 O ATOM 365 CG2 THR A 19 2.860 3.384 -11.432 1.00 0.00 C ATOM 0 H THR A 19 2.474 2.575 -8.050 1.00 0.00 H new ATOM 0 HA THR A 19 0.545 2.611 -10.284 1.00 0.00 H new ATOM 0 HB THR A 19 2.184 1.355 -11.587 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.399 1.435 -10.881 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.666 3.263 -12.156 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.977 3.777 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.173 4.079 -10.653 1.00 0.00 H new ATOM 373 N VAL A 20 0.403 -0.026 -10.127 1.00 0.00 N ATOM 374 CA VAL A 20 0.179 -1.458 -9.899 1.00 0.00 C ATOM 375 C VAL A 20 1.021 -2.288 -10.867 1.00 0.00 C ATOM 376 O VAL A 20 1.672 -3.234 -10.443 1.00 0.00 O ATOM 377 CB VAL A 20 -1.327 -1.801 -9.931 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.032 -1.510 -11.263 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.575 -3.261 -9.559 1.00 0.00 C ATOM 0 H VAL A 20 0.051 0.300 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 20 0.515 -1.719 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.761 -1.131 -9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.084 -1.784 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.950 -0.448 -11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.563 -2.091 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.645 -3.468 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.058 -3.910 -10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.199 -3.449 -8.553 1.00 0.00 H new ATOM 389 N GLU A 21 1.069 -1.899 -12.145 1.00 0.00 N ATOM 390 CA GLU A 21 1.575 -2.780 -13.213 1.00 0.00 C ATOM 391 C GLU A 21 3.083 -3.054 -13.162 1.00 0.00 C ATOM 392 O GLU A 21 3.879 -2.300 -12.588 1.00 0.00 O ATOM 393 CB GLU A 21 1.249 -2.232 -14.613 1.00 0.00 C ATOM 394 CG GLU A 21 -0.219 -1.847 -14.853 1.00 0.00 C ATOM 395 CD GLU A 21 -1.191 -3.030 -14.713 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.715 -4.183 -14.594 1.00 0.00 O ATOM 397 OE2 GLU A 21 -2.409 -2.753 -14.687 1.00 0.00 O ATOM 0 H GLU A 21 0.765 -0.981 -12.469 1.00 0.00 H new ATOM 0 HA GLU A 21 1.056 -3.720 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.870 -1.354 -14.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.534 -2.981 -15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.503 -1.068 -14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.317 -1.422 -15.852 1.00 0.00 H new ATOM 440 N PRO A 25 6.237 2.863 -13.339 1.00 0.00 N ATOM 441 CA PRO A 25 7.289 3.708 -12.793 1.00 0.00 C ATOM 442 C PRO A 25 6.895 4.292 -11.436 1.00 0.00 C ATOM 443 O PRO A 25 5.754 4.697 -11.206 1.00 0.00 O ATOM 444 CB PRO A 25 7.527 4.799 -13.843 1.00 0.00 C ATOM 445 CG PRO A 25 6.178 4.910 -14.548 1.00 0.00 C ATOM 446 CD PRO A 25 5.666 3.471 -14.532 1.00 0.00 C ATOM 0 HA PRO A 25 8.200 3.141 -12.602 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.819 5.743 -13.383 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.322 4.523 -14.536 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.502 5.585 -14.023 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.283 5.290 -15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.577 3.443 -14.502 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.974 2.936 -15.430 1.00 0.00 H new ATOM 454 N HIS A 26 7.877 4.376 -10.543 1.00 0.00 N ATOM 455 CA HIS A 26 7.740 5.083 -9.278 1.00 0.00 C ATOM 456 C HIS A 26 7.413 6.568 -9.504 1.00 0.00 C ATOM 457 O HIS A 26 7.803 7.172 -10.503 1.00 0.00 O ATOM 458 CB HIS A 26 9.043 4.963 -8.496 1.00 0.00 C ATOM 459 CG HIS A 26 9.625 3.578 -8.364 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.941 2.393 -8.192 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.961 3.297 -8.306 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.857 1.431 -7.980 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.090 1.947 -8.004 1.00 0.00 N ATOM 0 H HIS A 26 8.795 3.952 -10.680 1.00 0.00 H new ATOM 0 HA HIS A 26 6.919 4.635 -8.717 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.787 5.601 -8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.877 5.360 -7.494 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.769 3.996 -8.466 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.629 0.389 -7.814 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.961 1.445 -7.833 1.00 0.00 H new ATOM 471 N LYS A 27 6.689 7.166 -8.557 1.00 0.00 N ATOM 472 CA LYS A 27 6.080 8.497 -8.676 1.00 0.00 C ATOM 473 C LYS A 27 6.234 9.274 -7.355 1.00 0.00 C ATOM 474 O LYS A 27 7.354 9.484 -6.892 1.00 0.00 O ATOM 475 CB LYS A 27 4.635 8.250 -9.154 1.00 0.00 C ATOM 476 CG LYS A 27 3.953 9.465 -9.796 1.00 0.00 C ATOM 477 CD LYS A 27 2.423 9.328 -9.780 1.00 0.00 C ATOM 478 CE LYS A 27 1.920 7.959 -10.266 1.00 0.00 C ATOM 479 NZ LYS A 27 0.446 7.881 -10.168 1.00 0.00 N ATOM 0 H LYS A 27 6.503 6.725 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 27 6.568 9.147 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.640 7.432 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.037 7.923 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.244 10.370 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.298 9.576 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.062 9.498 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.991 10.108 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.230 7.797 -11.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.372 7.167 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.172 6.954 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.100 8.633 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.028 8.001 -11.113 1.00 0.00 H new ATOM 493 N VAL A 28 5.122 9.643 -6.703 1.00 0.00 N ATOM 494 CA VAL A 28 5.086 10.180 -5.325 1.00 0.00 C ATOM 495 C VAL A 28 5.534 9.113 -4.312 1.00 0.00 C ATOM 496 O VAL A 28 6.269 9.421 -3.372 1.00 0.00 O ATOM 497 CB VAL A 28 3.671 10.678 -4.966 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.649 11.398 -3.616 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.094 11.637 -6.016 1.00 0.00 C ATOM 0 H VAL A 28 4.196 9.577 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 28 5.777 11.022 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 28 3.057 9.778 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.635 11.734 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.980 10.715 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.316 12.259 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.097 11.954 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.741 12.510 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.034 11.129 -6.979 1.00 0.00 H new ATOM 509 N GLY A 29 5.129 7.861 -4.541 1.00 0.00 N ATOM 510 CA GLY A 29 5.658 6.642 -3.929 1.00 0.00 C ATOM 511 C GLY A 29 6.052 5.588 -4.981 1.00 0.00 C ATOM 512 O GLY A 29 5.969 5.854 -6.184 1.00 0.00 O ATOM 0 H GLY A 29 4.376 7.661 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.529 6.890 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.910 6.221 -3.257 1.00 0.00 H new ATOM 516 N PRO A 30 6.496 4.397 -4.543 1.00 0.00 N ATOM 517 CA PRO A 30 7.002 3.324 -5.408 1.00 0.00 C ATOM 518 C PRO A 30 5.890 2.517 -6.118 1.00 0.00 C ATOM 519 O PRO A 30 4.738 2.944 -6.197 1.00 0.00 O ATOM 520 CB PRO A 30 7.852 2.468 -4.465 1.00 0.00 C ATOM 521 CG PRO A 30 7.113 2.569 -3.141 1.00 0.00 C ATOM 522 CD PRO A 30 6.606 4.006 -3.142 1.00 0.00 C ATOM 0 HA PRO A 30 7.574 3.718 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.921 1.436 -4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.871 2.846 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.294 1.852 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.772 2.374 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.641 4.079 -2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.293 4.662 -2.607 1.00 0.00 H new ATOM 530 N ASN A 31 6.246 1.359 -6.691 1.00 0.00 N ATOM 531 CA ASN A 31 5.305 0.358 -7.221 1.00 0.00 C ATOM 532 C ASN A 31 4.745 -0.543 -6.082 1.00 0.00 C ATOM 533 O ASN A 31 5.283 -0.523 -4.973 1.00 0.00 O ATOM 534 CB ASN A 31 6.058 -0.424 -8.320 1.00 0.00 C ATOM 535 CG ASN A 31 5.158 -1.129 -9.325 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.116 -1.684 -9.015 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.479 -1.093 -10.591 1.00 0.00 N ATOM 0 H ASN A 31 7.222 1.084 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 31 4.422 0.825 -7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.710 0.266 -8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.701 -1.165 -7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.866 -1.521 -11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.343 -0.637 -10.885 1.00 0.00 H new ATOM 544 N LEU A 32 3.685 -1.325 -6.336 1.00 0.00 N ATOM 545 CA LEU A 32 3.028 -2.187 -5.346 1.00 0.00 C ATOM 546 C LEU A 32 2.923 -3.686 -5.714 1.00 0.00 C ATOM 547 O LEU A 32 2.811 -4.503 -4.806 1.00 0.00 O ATOM 548 CB LEU A 32 1.642 -1.599 -5.031 1.00 0.00 C ATOM 549 CG LEU A 32 1.637 -0.190 -4.401 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.192 0.261 -4.172 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.357 -0.128 -3.049 1.00 0.00 C ATOM 0 H LEU A 32 3.252 -1.376 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 32 3.675 -2.188 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.064 -1.565 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.124 -2.280 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 32 2.165 0.458 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.188 1.256 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.336 0.287 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.306 -0.439 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.317 0.890 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.870 -0.803 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.398 -0.426 -3.177 1.00 0.00 H new ATOM 563 N HIS A 33 2.994 -4.114 -6.984 1.00 0.00 N ATOM 564 CA HIS A 33 3.036 -5.554 -7.309 1.00 0.00 C ATOM 565 C HIS A 33 4.334 -6.171 -6.749 1.00 0.00 C ATOM 566 O HIS A 33 5.441 -5.957 -7.242 1.00 0.00 O ATOM 567 CB HIS A 33 2.796 -5.842 -8.801 1.00 0.00 C ATOM 568 CG HIS A 33 3.970 -5.563 -9.698 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.504 -4.332 -9.981 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.828 -6.508 -10.186 1.00 0.00 C ATOM 571 CE1 HIS A 33 5.693 -4.527 -10.564 1.00 0.00 C ATOM 572 NE2 HIS A 33 5.922 -5.842 -10.752 1.00 0.00 N ATOM 0 H HIS A 33 3.023 -3.496 -7.795 1.00 0.00 H new ATOM 0 HA HIS A 33 2.199 -6.048 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.513 -6.889 -8.913 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.949 -5.245 -9.139 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.072 -3.429 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.687 -7.578 -10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.375 -3.739 -10.845 1.00 0.00 H new ATOM 580 N GLY A 34 4.199 -6.885 -5.639 1.00 0.00 N ATOM 581 CA GLY A 34 5.274 -7.600 -4.955 1.00 0.00 C ATOM 582 C GLY A 34 5.445 -7.298 -3.465 1.00 0.00 C ATOM 583 O GLY A 34 6.366 -7.862 -2.879 1.00 0.00 O ATOM 0 H GLY A 34 3.300 -6.987 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.101 -8.670 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.213 -7.373 -5.461 1.00 0.00 H new ATOM 587 N ILE A 35 4.636 -6.436 -2.822 1.00 0.00 N ATOM 588 CA ILE A 35 4.851 -6.108 -1.400 1.00 0.00 C ATOM 589 C ILE A 35 4.532 -7.276 -0.448 1.00 0.00 C ATOM 590 O ILE A 35 5.194 -7.439 0.572 1.00 0.00 O ATOM 591 CB ILE A 35 4.159 -4.793 -0.987 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.627 -4.840 -0.795 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.612 -3.622 -1.880 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.748 -4.807 -2.043 1.00 0.00 C ATOM 0 H ILE A 35 3.843 -5.962 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 35 5.922 -5.937 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 35 4.509 -4.620 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.387 -5.748 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.343 -3.998 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.108 -2.708 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.690 -3.491 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.359 -3.837 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.699 -4.846 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.936 -3.887 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.981 -5.664 -2.675 1.00 0.00 H new ATOM 606 N PHE A 36 3.592 -8.142 -0.823 1.00 0.00 N ATOM 607 CA PHE A 36 3.301 -9.427 -0.185 1.00 0.00 C ATOM 608 C PHE A 36 4.522 -10.353 -0.341 1.00 0.00 C ATOM 609 O PHE A 36 4.744 -10.927 -1.409 1.00 0.00 O ATOM 610 CB PHE A 36 2.015 -10.021 -0.786 1.00 0.00 C ATOM 611 CG PHE A 36 0.751 -9.250 -0.422 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.458 -8.010 -1.023 1.00 0.00 C ATOM 613 CD2 PHE A 36 -0.119 -9.753 0.563 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.646 -7.250 -0.603 1.00 0.00 C ATOM 615 CE2 PHE A 36 -1.236 -9.001 0.966 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.480 -7.728 0.418 1.00 0.00 C ATOM 0 H PHE A 36 2.982 -7.958 -1.619 1.00 0.00 H new ATOM 0 HA PHE A 36 3.122 -9.301 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.112 -10.049 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.910 -11.052 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.090 -7.639 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.072 -10.718 1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.853 -6.297 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.914 -9.404 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.300 -7.126 0.780 1.00 0.00 H new ATOM 626 N GLY A 37 5.366 -10.414 0.700 1.00 0.00 N ATOM 627 CA GLY A 37 6.701 -11.027 0.638 1.00 0.00 C ATOM 628 C GLY A 37 7.855 -10.012 0.652 1.00 0.00 C ATOM 629 O GLY A 37 9.005 -10.356 0.360 1.00 0.00 O ATOM 0 H GLY A 37 5.138 -10.035 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.818 -11.706 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.771 -11.630 -0.268 1.00 0.00 H new ATOM 633 N ARG A 38 7.579 -8.752 0.998 1.00 0.00 N ATOM 634 CA ARG A 38 8.530 -7.637 1.108 1.00 0.00 C ATOM 635 C ARG A 38 8.350 -6.828 2.390 1.00 0.00 C ATOM 636 O ARG A 38 7.390 -7.005 3.128 1.00 0.00 O ATOM 637 CB ARG A 38 8.394 -6.735 -0.138 1.00 0.00 C ATOM 638 CG ARG A 38 9.744 -6.448 -0.782 1.00 0.00 C ATOM 639 CD ARG A 38 10.176 -7.634 -1.638 1.00 0.00 C ATOM 640 NE ARG A 38 11.631 -7.824 -1.551 1.00 0.00 N ATOM 641 CZ ARG A 38 12.264 -8.609 -0.697 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.660 -9.459 0.090 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.565 -8.563 -0.632 1.00 0.00 N ATOM 0 H ARG A 38 6.627 -8.463 1.223 1.00 0.00 H new ATOM 0 HA ARG A 38 9.535 -8.056 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.740 -7.217 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.919 -5.795 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.680 -5.550 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.490 -6.254 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.664 -8.537 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.886 -7.467 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 38 12.206 -7.301 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.644 -9.543 0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.205 -10.039 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.084 -7.926 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.064 -9.164 0.023 1.00 0.00 H new ATOM 657 N HIS A 39 9.312 -5.944 2.628 1.00 0.00 N ATOM 658 CA HIS A 39 9.396 -5.100 3.818 1.00 0.00 C ATOM 659 C HIS A 39 9.222 -3.633 3.434 1.00 0.00 C ATOM 660 O HIS A 39 9.624 -3.248 2.336 1.00 0.00 O ATOM 661 CB HIS A 39 10.771 -5.271 4.482 1.00 0.00 C ATOM 662 CG HIS A 39 11.139 -6.697 4.769 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.761 -7.554 3.894 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.889 -7.372 5.929 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.861 -8.746 4.507 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.350 -8.681 5.744 1.00 0.00 N ATOM 0 H HIS A 39 10.082 -5.789 1.977 1.00 0.00 H new ATOM 0 HA HIS A 39 8.607 -5.397 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.532 -4.834 3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.784 -4.709 5.416 1.00 0.00 H new ATOM 0 HD1 HIS A 39 12.086 -7.328 2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.425 -6.973 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.293 -9.632 4.065 1.00 0.00 H new ATOM 674 N SER A 40 8.733 -2.803 4.356 1.00 0.00 N ATOM 675 CA SER A 40 8.658 -1.354 4.155 1.00 0.00 C ATOM 676 C SER A 40 10.000 -0.746 3.737 1.00 0.00 C ATOM 677 O SER A 40 10.977 -0.798 4.490 1.00 0.00 O ATOM 678 CB SER A 40 8.000 -0.628 5.332 1.00 0.00 C ATOM 679 OG SER A 40 8.812 -0.604 6.483 1.00 0.00 O ATOM 0 H SER A 40 8.379 -3.114 5.261 1.00 0.00 H new ATOM 0 HA SER A 40 7.991 -1.196 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.766 0.395 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.054 -1.115 5.570 1.00 0.00 H new ATOM 0 HG SER A 40 9.415 0.168 6.442 1.00 0.00 H new ATOM 685 N GLY A 41 10.044 -0.220 2.509 1.00 0.00 N ATOM 686 CA GLY A 41 11.226 0.368 1.880 1.00 0.00 C ATOM 687 C GLY A 41 11.999 -0.559 0.932 1.00 0.00 C ATOM 688 O GLY A 41 13.229 -0.538 0.970 1.00 0.00 O ATOM 0 H GLY A 41 9.223 -0.192 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.918 1.253 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.904 0.705 2.664 1.00 0.00 H new ATOM 692 N GLN A 42 11.336 -1.396 0.115 1.00 0.00 N ATOM 693 CA GLN A 42 12.004 -2.423 -0.717 1.00 0.00 C ATOM 694 C GLN A 42 11.533 -2.544 -2.188 1.00 0.00 C ATOM 695 O GLN A 42 11.765 -3.586 -2.810 1.00 0.00 O ATOM 696 CB GLN A 42 12.015 -3.784 0.016 1.00 0.00 C ATOM 697 CG GLN A 42 12.860 -3.767 1.303 1.00 0.00 C ATOM 698 CD GLN A 42 13.257 -5.156 1.816 1.00 0.00 C ATOM 699 OE1 GLN A 42 12.635 -6.180 1.546 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.306 -5.258 2.610 1.00 0.00 N ATOM 0 H GLN A 42 10.322 -1.383 0.010 1.00 0.00 H new ATOM 0 HA GLN A 42 13.025 -2.061 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.991 -4.065 0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.402 -4.550 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.765 -3.187 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.301 -3.250 2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.844 -4.426 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.579 -6.168 2.980 1.00 0.00 H new ATOM 741 N TYR A 46 14.365 3.074 -5.018 1.00 0.00 N ATOM 742 CA TYR A 46 13.720 4.399 -4.973 1.00 0.00 C ATOM 743 C TYR A 46 14.088 5.296 -3.782 1.00 0.00 C ATOM 744 O TYR A 46 14.107 6.513 -3.936 1.00 0.00 O ATOM 745 CB TYR A 46 12.216 4.184 -5.155 1.00 0.00 C ATOM 746 CG TYR A 46 11.371 5.439 -5.069 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.986 5.875 -3.800 1.00 0.00 C ATOM 748 CD2 TYR A 46 10.992 6.177 -6.206 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.142 6.987 -3.648 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.145 7.300 -6.070 1.00 0.00 C ATOM 751 CZ TYR A 46 9.702 7.696 -4.787 1.00 0.00 C ATOM 752 OH TYR A 46 8.867 8.762 -4.645 1.00 0.00 O ATOM 0 HA TYR A 46 14.121 4.995 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.047 3.717 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.871 3.480 -4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.341 5.351 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.349 5.885 -7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.830 7.299 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.837 7.854 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 46 8.394 8.921 -5.488 1.00 0.00 H new ATOM 762 N SER A 47 14.485 4.709 -2.651 1.00 0.00 N ATOM 763 CA SER A 47 14.813 5.387 -1.386 1.00 0.00 C ATOM 764 C SER A 47 13.631 6.144 -0.755 1.00 0.00 C ATOM 765 O SER A 47 12.753 6.687 -1.413 1.00 0.00 O ATOM 766 CB SER A 47 16.062 6.262 -1.533 1.00 0.00 C ATOM 767 OG SER A 47 17.145 5.446 -1.941 1.00 0.00 O ATOM 0 H SER A 47 14.593 3.697 -2.585 1.00 0.00 H new ATOM 0 HA SER A 47 15.043 4.597 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.887 7.050 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.294 6.751 -0.587 1.00 0.00 H new ATOM 0 HG SER A 47 17.950 5.996 -2.040 1.00 0.00 H new ATOM 773 N TYR A 48 13.573 6.103 0.574 1.00 0.00 N ATOM 774 CA TYR A 48 12.362 6.334 1.362 1.00 0.00 C ATOM 775 C TYR A 48 12.689 7.230 2.566 1.00 0.00 C ATOM 776 O TYR A 48 13.859 7.451 2.878 1.00 0.00 O ATOM 777 CB TYR A 48 11.836 4.976 1.861 1.00 0.00 C ATOM 778 CG TYR A 48 11.310 4.027 0.798 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.191 3.342 -0.066 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.927 3.777 0.717 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.678 2.465 -1.040 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.426 2.831 -0.195 1.00 0.00 C ATOM 783 CZ TYR A 48 10.305 2.181 -1.085 1.00 0.00 C ATOM 784 OH TYR A 48 9.880 1.206 -1.927 1.00 0.00 O ATOM 0 H TYR A 48 14.390 5.902 1.150 1.00 0.00 H new ATOM 0 HA TYR A 48 11.608 6.827 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.640 4.475 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.038 5.161 2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.257 3.491 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.246 4.315 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.345 2.008 -1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.370 2.603 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 48 9.078 0.781 -1.557 1.00 0.00 H new ATOM 794 N THR A 49 11.681 7.692 3.303 1.00 0.00 N ATOM 795 CA THR A 49 11.882 8.315 4.616 1.00 0.00 C ATOM 796 C THR A 49 12.529 7.337 5.592 1.00 0.00 C ATOM 797 O THR A 49 12.188 6.155 5.636 1.00 0.00 O ATOM 798 CB THR A 49 10.568 8.828 5.224 1.00 0.00 C ATOM 799 OG1 THR A 49 9.557 7.850 5.167 1.00 0.00 O ATOM 800 CG2 THR A 49 10.072 10.064 4.486 1.00 0.00 C ATOM 0 H THR A 49 10.705 7.647 3.011 1.00 0.00 H new ATOM 0 HA THR A 49 12.543 9.166 4.452 1.00 0.00 H new ATOM 0 HB THR A 49 10.781 9.073 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.254 7.639 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.140 10.407 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.820 10.853 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.900 9.817 3.438 1.00 0.00 H new ATOM 808 N ASP A 50 13.439 7.845 6.422 1.00 0.00 N ATOM 809 CA ASP A 50 14.153 7.065 7.439 1.00 0.00 C ATOM 810 C ASP A 50 13.204 6.249 8.338 1.00 0.00 C ATOM 811 O ASP A 50 13.418 5.055 8.552 1.00 0.00 O ATOM 812 CB ASP A 50 15.017 8.043 8.241 1.00 0.00 C ATOM 813 CG ASP A 50 15.801 7.338 9.337 1.00 0.00 C ATOM 814 OD1 ASP A 50 15.277 7.214 10.465 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.951 6.912 9.097 1.00 0.00 O ATOM 0 H ASP A 50 13.708 8.829 6.408 1.00 0.00 H new ATOM 0 HA ASP A 50 14.782 6.317 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.709 8.552 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.382 8.810 8.685 1.00 0.00 H new ATOM 820 N ALA A 51 12.103 6.862 8.782 1.00 0.00 N ATOM 821 CA ALA A 51 11.057 6.215 9.566 1.00 0.00 C ATOM 822 C ALA A 51 10.447 4.981 8.865 1.00 0.00 C ATOM 823 O ALA A 51 10.193 3.975 9.536 1.00 0.00 O ATOM 824 CB ALA A 51 9.994 7.267 9.908 1.00 0.00 C ATOM 0 H ALA A 51 11.913 7.847 8.599 1.00 0.00 H new ATOM 0 HA ALA A 51 11.499 5.821 10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.200 6.805 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.451 8.071 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.575 7.673 8.988 1.00 0.00 H new ATOM 830 N ASN A 52 10.228 5.034 7.543 1.00 0.00 N ATOM 831 CA ASN A 52 9.709 3.902 6.770 1.00 0.00 C ATOM 832 C ASN A 52 10.731 2.759 6.652 1.00 0.00 C ATOM 833 O ASN A 52 10.373 1.588 6.788 1.00 0.00 O ATOM 834 CB ASN A 52 9.243 4.408 5.394 1.00 0.00 C ATOM 835 CG ASN A 52 8.636 3.290 4.572 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.500 2.896 4.764 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.376 2.721 3.649 1.00 0.00 N ATOM 0 H ASN A 52 10.407 5.866 6.981 1.00 0.00 H new ATOM 0 HA ASN A 52 8.856 3.476 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.510 5.204 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.088 4.839 4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.999 1.952 3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.328 3.048 3.485 1.00 0.00 H new ATOM 844 N ILE A 53 12.009 3.101 6.455 1.00 0.00 N ATOM 845 CA ILE A 53 13.144 2.159 6.453 1.00 0.00 C ATOM 846 C ILE A 53 13.255 1.473 7.819 1.00 0.00 C ATOM 847 O ILE A 53 13.059 0.268 7.920 1.00 0.00 O ATOM 848 CB ILE A 53 14.458 2.875 6.080 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.364 3.471 4.655 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.672 1.929 6.183 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.491 4.449 4.299 1.00 0.00 C ATOM 0 H ILE A 53 12.295 4.066 6.288 1.00 0.00 H new ATOM 0 HA ILE A 53 12.964 1.396 5.696 1.00 0.00 H new ATOM 0 HB ILE A 53 14.605 3.684 6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.367 2.655 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.408 3.985 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.579 2.470 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.760 1.561 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.536 1.087 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.346 4.817 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.478 5.288 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.451 3.937 4.366 1.00 0.00 H new ATOM 863 N LYS A 54 13.458 2.237 8.901 1.00 0.00 N ATOM 864 CA LYS A 54 13.504 1.761 10.295 1.00 0.00 C ATOM 865 C LYS A 54 12.181 1.165 10.803 1.00 0.00 C ATOM 866 O LYS A 54 12.007 0.962 12.007 1.00 0.00 O ATOM 867 CB LYS A 54 14.017 2.887 11.209 1.00 0.00 C ATOM 868 CG LYS A 54 15.463 3.273 10.860 1.00 0.00 C ATOM 869 CD LYS A 54 16.011 4.293 11.863 1.00 0.00 C ATOM 870 CE LYS A 54 17.365 4.816 11.364 1.00 0.00 C ATOM 871 NZ LYS A 54 17.532 6.253 11.673 1.00 0.00 N ATOM 0 H LYS A 54 13.601 3.244 8.829 1.00 0.00 H new ATOM 0 HA LYS A 54 14.203 0.925 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.372 3.760 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.965 2.566 12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.092 2.383 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.500 3.690 9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.309 5.119 11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.125 3.831 12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.171 4.246 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.443 4.662 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.239 6.666 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.623 6.743 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.851 6.362 12.657 1.00 0.00 H new ATOM 885 N LYS A 55 11.205 0.912 9.925 1.00 0.00 N ATOM 886 CA LYS A 55 10.055 0.029 10.196 1.00 0.00 C ATOM 887 C LYS A 55 10.185 -1.383 9.591 1.00 0.00 C ATOM 888 O LYS A 55 9.704 -2.304 10.241 1.00 0.00 O ATOM 889 CB LYS A 55 8.749 0.746 9.791 1.00 0.00 C ATOM 890 CG LYS A 55 7.521 0.337 10.621 1.00 0.00 C ATOM 891 CD LYS A 55 7.301 1.161 11.909 1.00 0.00 C ATOM 892 CE LYS A 55 8.307 0.914 13.042 1.00 0.00 C ATOM 893 NZ LYS A 55 9.512 1.775 12.937 1.00 0.00 N ATOM 0 H LYS A 55 11.187 1.319 8.990 1.00 0.00 H new ATOM 0 HA LYS A 55 10.032 -0.159 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.895 1.822 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.547 0.542 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.633 0.424 9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.618 -0.714 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.328 2.219 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.300 0.951 12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.820 1.094 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.611 -0.133 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.353 1.179 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.408 2.421 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.620 2.329 13.811 1.00 0.00 H new ATOM 907 N ASN A 56 10.820 -1.550 8.420 1.00 0.00 N ATOM 908 CA ASN A 56 10.883 -2.772 7.586 1.00 0.00 C ATOM 909 C ASN A 56 9.683 -3.730 7.765 1.00 0.00 C ATOM 910 O ASN A 56 9.839 -4.933 7.940 1.00 0.00 O ATOM 911 CB ASN A 56 12.272 -3.426 7.729 1.00 0.00 C ATOM 912 CG ASN A 56 13.416 -2.692 7.034 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.556 -2.755 7.458 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.206 -2.043 5.905 1.00 0.00 N ATOM 0 H ASN A 56 11.342 -0.783 7.996 1.00 0.00 H new ATOM 0 HA ASN A 56 10.772 -2.476 6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.508 -3.510 8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.220 -4.440 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.988 -1.611 5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.262 -1.973 5.525 1.00 0.00 H new ATOM 921 N VAL A 57 8.469 -3.180 7.695 1.00 0.00 N ATOM 922 CA VAL A 57 7.207 -3.868 7.978 1.00 0.00 C ATOM 923 C VAL A 57 6.811 -4.797 6.848 1.00 0.00 C ATOM 924 O VAL A 57 6.819 -4.409 5.681 1.00 0.00 O ATOM 925 CB VAL A 57 6.116 -2.854 8.404 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.953 -2.673 7.432 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.613 -3.234 9.800 1.00 0.00 C ATOM 0 H VAL A 57 8.332 -2.205 7.429 1.00 0.00 H new ATOM 0 HA VAL A 57 7.341 -4.528 8.835 1.00 0.00 H new ATOM 0 HB VAL A 57 6.597 -1.876 8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.253 -1.941 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.332 -2.323 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.442 -3.626 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.844 -2.529 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.194 -4.240 9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.443 -3.204 10.506 1.00 0.00 H new ATOM 937 N LEU A 58 6.515 -6.045 7.204 1.00 0.00 N ATOM 938 CA LEU A 58 6.054 -7.055 6.268 1.00 0.00 C ATOM 939 C LEU A 58 4.631 -6.703 5.793 1.00 0.00 C ATOM 940 O LEU A 58 3.695 -6.491 6.573 1.00 0.00 O ATOM 941 CB LEU A 58 6.210 -8.459 6.881 1.00 0.00 C ATOM 942 CG LEU A 58 6.895 -9.463 5.925 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.165 -10.778 6.662 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.091 -9.787 4.668 1.00 0.00 C ATOM 0 H LEU A 58 6.591 -6.383 8.164 1.00 0.00 H new ATOM 0 HA LEU A 58 6.671 -7.070 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.792 -8.386 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.227 -8.841 7.156 1.00 0.00 H new ATOM 0 HG LEU A 58 7.815 -8.974 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.648 -11.482 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.817 -10.590 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.223 -11.199 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.645 -10.498 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.132 -10.222 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.921 -8.873 4.099 1.00 0.00 H new ATOM 956 N TRP A 59 4.528 -6.479 4.491 1.00 0.00 N ATOM 957 CA TRP A 59 3.317 -5.986 3.830 1.00 0.00 C ATOM 958 C TRP A 59 2.255 -7.054 3.521 1.00 0.00 C ATOM 959 O TRP A 59 1.915 -7.315 2.366 1.00 0.00 O ATOM 960 CB TRP A 59 3.701 -5.180 2.595 1.00 0.00 C ATOM 961 CG TRP A 59 4.441 -3.913 2.843 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.599 -3.520 2.266 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.028 -2.826 3.710 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.876 -2.225 2.648 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.959 -1.762 3.563 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.948 -2.641 4.587 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.811 -0.546 4.241 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.793 -1.435 5.283 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.721 -0.388 5.116 1.00 0.00 C ATOM 0 H TRP A 59 5.301 -6.637 3.844 1.00 0.00 H new ATOM 0 HA TRP A 59 2.818 -5.339 4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.310 -5.812 1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.791 -4.943 2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.209 -4.124 1.611 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.662 -1.679 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.230 -3.436 4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.520 0.255 4.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.956 -1.307 5.953 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.595 0.536 5.660 1.00 0.00 H new ATOM 980 N ASP A 60 1.686 -7.606 4.586 1.00 0.00 N ATOM 981 CA ASP A 60 0.654 -8.654 4.531 1.00 0.00 C ATOM 982 C ASP A 60 -0.771 -8.070 4.618 1.00 0.00 C ATOM 983 O ASP A 60 -0.961 -6.947 5.086 1.00 0.00 O ATOM 984 CB ASP A 60 0.919 -9.652 5.663 1.00 0.00 C ATOM 985 CG ASP A 60 2.348 -10.204 5.607 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.713 -10.748 4.541 1.00 0.00 O ATOM 987 OD2 ASP A 60 3.053 -10.058 6.629 1.00 0.00 O ATOM 0 H ASP A 60 1.930 -7.336 5.539 1.00 0.00 H new ATOM 0 HA ASP A 60 0.711 -9.162 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.754 -9.165 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.208 -10.475 5.597 1.00 0.00 H new ATOM 992 N GLU A 61 -1.817 -8.820 4.236 1.00 0.00 N ATOM 993 CA GLU A 61 -3.201 -8.301 4.152 1.00 0.00 C ATOM 994 C GLU A 61 -3.729 -7.739 5.481 1.00 0.00 C ATOM 995 O GLU A 61 -4.554 -6.822 5.505 1.00 0.00 O ATOM 996 CB GLU A 61 -4.192 -9.347 3.595 1.00 0.00 C ATOM 997 CG GLU A 61 -4.381 -10.671 4.359 1.00 0.00 C ATOM 998 CD GLU A 61 -3.392 -11.745 3.899 1.00 0.00 C ATOM 999 OE1 GLU A 61 -2.209 -11.593 4.268 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.817 -12.689 3.196 1.00 0.00 O ATOM 0 H GLU A 61 -1.732 -9.803 3.976 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.138 -7.471 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.168 -8.868 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.877 -9.593 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.254 -10.495 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.400 -11.031 4.215 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.203 -8.284 6.574 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.402 -7.934 7.969 1.00 0.00 C ATOM 1009 C ASN A 62 -2.480 -6.777 8.426 1.00 0.00 C ATOM 1010 O ASN A 62 -2.985 -5.739 8.851 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.239 -9.235 8.779 1.00 0.00 C ATOM 1012 CG ASN A 62 -1.924 -9.961 8.530 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -0.934 -9.706 9.182 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -1.844 -10.831 7.549 1.00 0.00 N ATOM 0 H ASN A 62 -2.556 -9.068 6.489 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.401 -7.531 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.318 -9.002 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.064 -9.906 8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.955 -11.285 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.671 -11.052 6.995 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.155 -6.909 8.328 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.213 -5.895 8.808 1.00 0.00 C ATOM 1023 C ASN A 63 -0.192 -4.613 7.938 1.00 0.00 C ATOM 1024 O ASN A 63 -0.232 -3.494 8.453 1.00 0.00 O ATOM 1025 CB ASN A 63 1.151 -6.580 8.938 1.00 0.00 C ATOM 1026 CG ASN A 63 2.111 -5.668 9.661 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.989 -5.030 8.931 1.00 0.00 O flip ATOM 1028 ND2 ASN A 63 2.061 -5.496 10.863 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.704 -7.724 7.913 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.529 -5.518 9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.047 -7.519 9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.541 -6.825 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.372 -5.999 11.422 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.708 -4.848 11.313 1.00 0.00 H new ATOM 1035 N MET A 64 -0.260 -4.749 6.606 1.00 0.00 N ATOM 1036 CA MET A 64 -0.551 -3.634 5.692 1.00 0.00 C ATOM 1037 C MET A 64 -1.910 -2.992 6.020 1.00 0.00 C ATOM 1038 O MET A 64 -2.049 -1.784 5.882 1.00 0.00 O ATOM 1039 CB MET A 64 -0.558 -4.096 4.219 1.00 0.00 C ATOM 1040 CG MET A 64 -0.467 -2.937 3.216 1.00 0.00 C ATOM 1041 SD MET A 64 -0.523 -3.427 1.464 1.00 0.00 S ATOM 1042 CE MET A 64 -2.152 -4.215 1.360 1.00 0.00 C ATOM 0 H MET A 64 -0.114 -5.639 6.130 1.00 0.00 H new ATOM 0 HA MET A 64 0.242 -2.899 5.829 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.279 -4.775 4.055 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.470 -4.662 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.286 -2.244 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.460 -2.393 3.396 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.430 -4.340 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.116 -5.191 1.845 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.891 -3.589 1.860 1.00 0.00 H new ATOM 1052 N SER A 65 -2.912 -3.767 6.459 1.00 0.00 N ATOM 1053 CA SER A 65 -4.204 -3.212 6.891 1.00 0.00 C ATOM 1054 C SER A 65 -4.116 -2.348 8.148 1.00 0.00 C ATOM 1055 O SER A 65 -4.845 -1.361 8.221 1.00 0.00 O ATOM 1056 CB SER A 65 -5.247 -4.299 7.150 1.00 0.00 C ATOM 1057 OG SER A 65 -5.967 -4.582 5.973 1.00 0.00 O ATOM 0 H SER A 65 -2.853 -4.783 6.525 1.00 0.00 H new ATOM 0 HA SER A 65 -4.508 -2.585 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.757 -5.204 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.932 -3.975 7.933 1.00 0.00 H new ATOM 0 HG SER A 65 -5.519 -5.301 5.481 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.253 -2.681 9.114 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.995 -1.837 10.286 1.00 0.00 C ATOM 1065 C GLU A 66 -2.403 -0.485 9.852 1.00 0.00 C ATOM 1066 O GLU A 66 -2.978 0.570 10.143 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.089 -2.574 11.287 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.900 -1.752 12.570 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.988 -2.441 13.597 1.00 0.00 C ATOM 1070 OE1 GLU A 66 0.178 -2.767 13.260 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.465 -2.579 14.744 1.00 0.00 O ATOM 0 H GLU A 66 -2.712 -3.546 9.105 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.937 -1.630 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.525 -3.542 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.119 -2.768 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.479 -0.780 12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.874 -1.568 13.023 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.323 -0.519 9.063 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.755 0.656 8.390 1.00 0.00 C ATOM 1080 C TYR A 67 -1.808 1.459 7.617 1.00 0.00 C ATOM 1081 O TYR A 67 -1.989 2.648 7.858 1.00 0.00 O ATOM 1082 CB TYR A 67 0.390 0.204 7.480 1.00 0.00 C ATOM 1083 CG TYR A 67 1.059 1.321 6.701 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.836 2.267 7.387 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.946 1.393 5.297 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.485 3.300 6.686 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.642 2.385 4.583 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.410 3.346 5.280 1.00 0.00 C ATOM 1089 OH TYR A 67 3.095 4.299 4.594 1.00 0.00 O ATOM 0 H TYR A 67 -0.810 -1.379 8.871 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.368 1.335 9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.143 -0.298 8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.006 -0.533 6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.937 2.202 8.460 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.324 0.685 4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.039 4.055 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.590 2.413 3.505 1.00 0.00 H new ATOM 0 HH TYR A 67 2.564 4.593 3.824 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.575 0.828 6.727 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.626 1.494 5.953 1.00 0.00 C ATOM 1101 C LEU A 68 -4.790 2.034 6.807 1.00 0.00 C ATOM 1102 O LEU A 68 -5.480 2.937 6.338 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.144 0.559 4.845 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.136 0.260 3.721 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.721 -0.802 2.787 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.773 1.497 2.900 1.00 0.00 C ATOM 0 H LEU A 68 -2.485 -0.167 6.521 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.163 2.373 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.449 -0.384 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.036 1.003 4.404 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.222 -0.094 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.010 -1.017 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.919 -1.713 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.651 -0.434 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.059 1.222 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.673 1.904 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.328 2.249 3.552 1.00 0.00 H new ATOM 1118 N THR A 69 -5.000 1.560 8.040 1.00 0.00 N ATOM 1119 CA THR A 69 -5.925 2.167 9.013 1.00 0.00 C ATOM 1120 C THR A 69 -5.466 3.572 9.436 1.00 0.00 C ATOM 1121 O THR A 69 -6.291 4.488 9.500 1.00 0.00 O ATOM 1122 CB THR A 69 -6.147 1.220 10.215 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.485 0.766 10.227 1.00 0.00 O ATOM 1124 CG2 THR A 69 -5.930 1.791 11.619 1.00 0.00 C ATOM 0 H THR A 69 -4.526 0.731 8.399 1.00 0.00 H new ATOM 0 HA THR A 69 -6.892 2.304 8.529 1.00 0.00 H new ATOM 0 HB THR A 69 -5.387 0.457 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.620 0.165 10.989 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.121 1.016 12.361 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.902 2.139 11.715 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.612 2.625 11.782 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.167 3.775 9.701 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.556 5.099 9.873 1.00 0.00 C ATOM 1134 C ASN A 70 -2.019 5.113 9.659 1.00 0.00 C ATOM 1135 O ASN A 70 -1.258 4.937 10.620 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.912 5.706 11.240 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.685 7.204 11.165 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.598 7.726 11.356 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.711 7.929 10.791 1.00 0.00 N ATOM 0 H ASN A 70 -3.501 3.009 9.803 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.982 5.719 9.084 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.950 5.491 11.493 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.295 5.266 12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.604 8.935 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.617 7.488 10.633 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.531 5.408 8.439 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.113 5.250 8.123 1.00 0.00 C ATOM 1148 C PRO A 71 0.736 6.263 8.892 1.00 0.00 C ATOM 1149 O PRO A 71 1.839 5.966 9.340 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.022 5.440 6.603 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.213 6.341 6.284 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.271 5.854 7.269 1.00 0.00 C ATOM 0 HA PRO A 71 0.275 4.275 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.921 5.903 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.086 4.489 6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.976 7.394 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.540 6.230 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.967 6.653 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.860 5.042 6.843 1.00 0.00 H new ATOM 1160 N LYS A 72 0.190 7.466 9.096 1.00 0.00 N ATOM 1161 CA LYS A 72 0.858 8.612 9.716 1.00 0.00 C ATOM 1162 C LYS A 72 1.105 8.445 11.224 1.00 0.00 C ATOM 1163 O LYS A 72 2.099 8.958 11.728 1.00 0.00 O ATOM 1164 CB LYS A 72 0.044 9.863 9.358 1.00 0.00 C ATOM 1165 CG LYS A 72 0.833 11.173 9.502 1.00 0.00 C ATOM 1166 CD LYS A 72 0.082 12.333 8.828 1.00 0.00 C ATOM 1167 CE LYS A 72 0.216 12.283 7.293 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.051 12.646 6.612 1.00 0.00 N ATOM 0 H LYS A 72 -0.770 7.675 8.822 1.00 0.00 H new ATOM 0 HA LYS A 72 1.869 8.705 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.311 9.774 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.838 9.908 9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.987 11.397 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.820 11.061 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.972 12.293 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.472 13.282 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.006 12.964 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.517 11.281 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.844 12.978 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.671 11.813 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.527 13.402 7.144 1.00 0.00 H new ATOM 1182 N LYS A 73 0.259 7.684 11.930 1.00 0.00 N ATOM 1183 CA LYS A 73 0.520 7.201 13.299 1.00 0.00 C ATOM 1184 C LYS A 73 1.581 6.098 13.325 1.00 0.00 C ATOM 1185 O LYS A 73 2.397 6.060 14.243 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.807 6.738 13.938 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.643 6.170 15.362 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.377 4.648 15.403 1.00 0.00 C ATOM 1189 CE LYS A 73 0.771 4.260 16.348 1.00 0.00 C ATOM 1190 NZ LYS A 73 0.452 4.559 17.765 1.00 0.00 N ATOM 0 H LYS A 73 -0.643 7.379 11.563 1.00 0.00 H new ATOM 0 HA LYS A 73 0.927 8.023 13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.498 7.580 13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.260 5.977 13.303 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.180 6.686 15.856 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.545 6.387 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.286 4.135 15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.145 4.299 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.984 3.196 16.241 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.675 4.797 16.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.253 4.282 18.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.274 5.578 17.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.395 4.027 18.050 1.00 0.00 H new ATOM 1204 N TYR A 74 1.530 5.164 12.375 1.00 0.00 N ATOM 1205 CA TYR A 74 2.405 3.988 12.286 1.00 0.00 C ATOM 1206 C TYR A 74 3.869 4.374 12.033 1.00 0.00 C ATOM 1207 O TYR A 74 4.785 3.914 12.715 1.00 0.00 O ATOM 1208 CB TYR A 74 1.884 3.099 11.145 1.00 0.00 C ATOM 1209 CG TYR A 74 2.183 1.620 11.285 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.502 1.125 11.381 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.104 0.722 11.320 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.730 -0.254 11.602 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.342 -0.649 11.467 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.638 -1.142 11.678 1.00 0.00 C ATOM 1215 OH TYR A 74 2.809 -2.452 11.994 1.00 0.00 O ATOM 0 H TYR A 74 0.852 5.205 11.614 1.00 0.00 H new ATOM 0 HA TYR A 74 2.384 3.455 13.237 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.804 3.229 11.070 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.313 3.452 10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.339 1.801 11.285 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.092 1.089 11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.738 -0.625 11.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.513 -1.340 11.417 1.00 0.00 H new ATOM 0 HH TYR A 74 2.009 -2.785 12.451 1.00 0.00 H new ATOM 1225 N ILE A 75 4.077 5.239 11.042 1.00 0.00 N ATOM 1226 CA ILE A 75 5.378 5.692 10.559 1.00 0.00 C ATOM 1227 C ILE A 75 5.405 7.233 10.657 1.00 0.00 C ATOM 1228 O ILE A 75 5.170 7.914 9.658 1.00 0.00 O ATOM 1229 CB ILE A 75 5.645 5.129 9.140 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.454 3.592 9.076 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.077 5.493 8.726 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.780 2.940 7.725 1.00 0.00 C ATOM 0 H ILE A 75 3.304 5.663 10.530 1.00 0.00 H new ATOM 0 HA ILE A 75 6.198 5.313 11.169 1.00 0.00 H new ATOM 0 HB ILE A 75 4.922 5.572 8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.080 3.134 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.420 3.361 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.278 5.102 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.190 6.577 8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.782 5.058 9.435 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.613 1.865 7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.136 3.361 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.823 3.130 7.471 1.00 0.00 H new ATOM 1244 N PRO A 76 5.613 7.805 11.858 1.00 0.00 N ATOM 1245 CA PRO A 76 5.518 9.247 12.084 1.00 0.00 C ATOM 1246 C PRO A 76 6.585 9.996 11.277 1.00 0.00 C ATOM 1247 O PRO A 76 7.773 9.898 11.570 1.00 0.00 O ATOM 1248 CB PRO A 76 5.642 9.445 13.599 1.00 0.00 C ATOM 1249 CG PRO A 76 6.415 8.213 14.062 1.00 0.00 C ATOM 1250 CD PRO A 76 5.930 7.123 13.107 1.00 0.00 C ATOM 0 HA PRO A 76 4.571 9.661 11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.173 10.365 13.840 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.664 9.507 14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.492 8.362 13.990 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.196 7.966 15.101 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.699 6.365 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.054 6.613 13.508 1.00 0.00 H new ATOM 1258 N GLY A 77 6.156 10.699 10.223 1.00 0.00 N ATOM 1259 CA GLY A 77 7.027 11.380 9.254 1.00 0.00 C ATOM 1260 C GLY A 77 7.093 10.727 7.865 1.00 0.00 C ATOM 1261 O GLY A 77 7.772 11.256 6.992 1.00 0.00 O ATOM 0 H GLY A 77 5.165 10.814 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.683 12.408 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.035 11.426 9.665 1.00 0.00 H new ATOM 1265 N THR A 78 6.387 9.612 7.637 1.00 0.00 N ATOM 1266 CA THR A 78 6.270 8.966 6.317 1.00 0.00 C ATOM 1267 C THR A 78 5.850 9.944 5.218 1.00 0.00 C ATOM 1268 O THR A 78 4.843 10.644 5.345 1.00 0.00 O ATOM 1269 CB THR A 78 5.307 7.764 6.348 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.265 7.151 5.080 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.852 8.064 6.720 1.00 0.00 C ATOM 0 H THR A 78 5.873 9.125 8.371 1.00 0.00 H new ATOM 0 HA THR A 78 7.270 8.604 6.077 1.00 0.00 H new ATOM 0 HB THR A 78 5.720 7.134 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.652 6.386 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.275 7.139 6.707 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.814 8.501 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.430 8.765 6.000 1.00 0.00 H new ATOM 1279 N LYS A 79 6.574 9.944 4.089 1.00 0.00 N ATOM 1280 CA LYS A 79 6.195 10.701 2.884 1.00 0.00 C ATOM 1281 C LYS A 79 4.922 10.147 2.220 1.00 0.00 C ATOM 1282 O LYS A 79 4.380 10.794 1.326 1.00 0.00 O ATOM 1283 CB LYS A 79 7.401 10.809 1.927 1.00 0.00 C ATOM 1284 CG LYS A 79 7.285 11.903 0.841 1.00 0.00 C ATOM 1285 CD LYS A 79 7.322 11.354 -0.595 1.00 0.00 C ATOM 1286 CE LYS A 79 8.698 10.771 -0.968 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.598 9.469 -1.666 1.00 0.00 N ATOM 0 H LYS A 79 7.442 9.418 3.984 1.00 0.00 H new ATOM 0 HA LYS A 79 5.928 11.716 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.297 11.000 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.542 9.846 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.354 12.451 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.098 12.617 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.562 10.581 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.068 12.152 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.228 11.480 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.293 10.649 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.445 9.323 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.526 8.704 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.753 9.464 -2.272 1.00 0.00 H new ATOM 1301 N MET A 80 4.362 9.019 2.691 1.00 0.00 N ATOM 1302 CA MET A 80 2.952 8.671 2.505 1.00 0.00 C ATOM 1303 C MET A 80 2.040 9.660 3.259 1.00 0.00 C ATOM 1304 O MET A 80 1.436 9.349 4.285 1.00 0.00 O ATOM 1305 CB MET A 80 2.703 7.198 2.880 1.00 0.00 C ATOM 1306 CG MET A 80 1.245 6.799 2.612 1.00 0.00 C ATOM 1307 SD MET A 80 0.935 5.080 2.092 1.00 0.00 S ATOM 1308 CE MET A 80 -0.834 4.966 2.442 1.00 0.00 C ATOM 0 H MET A 80 4.886 8.319 3.217 1.00 0.00 H new ATOM 0 HA MET A 80 2.694 8.766 1.450 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.371 6.555 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.938 7.043 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.671 6.986 3.520 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.849 7.462 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.251 4.098 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.986 4.862 3.516 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.333 5.869 2.090 1.00 0.00 H new ATOM 1318 N ALA A 81 1.874 10.855 2.686 1.00 0.00 N ATOM 1319 CA ALA A 81 1.083 11.975 3.207 1.00 0.00 C ATOM 1320 C ALA A 81 -0.431 11.718 3.371 1.00 0.00 C ATOM 1321 O ALA A 81 -1.167 12.581 3.853 1.00 0.00 O ATOM 1322 CB ALA A 81 1.353 13.198 2.321 1.00 0.00 C ATOM 0 H ALA A 81 2.314 11.081 1.794 1.00 0.00 H new ATOM 0 HA ALA A 81 1.412 12.140 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.776 14.047 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.415 13.441 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.060 12.976 1.295 1.00 0.00 H new ATOM 1328 N PHE A 82 -0.871 10.509 3.048 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.221 9.959 3.176 1.00 0.00 C ATOM 1330 C PHE A 82 -2.798 10.011 4.614 1.00 0.00 C ATOM 1331 O PHE A 82 -2.100 10.285 5.600 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.180 8.521 2.618 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.531 7.875 2.369 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.400 8.420 1.405 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.918 6.722 3.080 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.647 7.817 1.158 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.166 6.121 2.836 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.031 6.671 1.874 1.00 0.00 C ATOM 0 H PHE A 82 -0.232 9.820 2.651 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.909 10.582 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.623 8.530 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.621 7.896 3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.109 9.302 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.252 6.297 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.311 8.236 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.459 5.239 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.991 6.213 1.685 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.105 9.755 4.728 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.875 9.816 5.977 1.00 0.00 C ATOM 1350 C GLY A 83 -5.123 8.457 6.639 1.00 0.00 C ATOM 1351 O GLY A 83 -5.015 8.355 7.859 1.00 0.00 O ATOM 0 H GLY A 83 -4.677 9.490 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.348 10.459 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.837 10.287 5.773 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.429 7.419 5.854 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.735 6.074 6.360 1.00 0.00 C ATOM 1357 C GLY A 84 -7.227 5.738 6.295 1.00 0.00 C ATOM 1358 O GLY A 84 -8.074 6.475 6.798 1.00 0.00 O ATOM 0 H GLY A 84 -5.472 7.488 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.177 5.338 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.394 5.993 7.392 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.574 4.615 5.671 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.928 4.081 5.574 1.00 0.00 C ATOM 1364 C LEU A 85 -9.283 3.218 6.798 1.00 0.00 C ATOM 1365 O LEU A 85 -9.091 2.001 6.814 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.073 3.308 4.253 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.940 4.193 2.999 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.895 3.304 1.760 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.099 5.186 2.834 1.00 0.00 C ATOM 0 H LEU A 85 -6.888 4.027 5.198 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.641 4.905 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.316 2.525 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.044 2.814 4.236 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.023 4.770 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.801 3.925 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.039 2.632 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.812 2.719 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.945 5.779 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.038 4.639 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.138 5.847 3.700 1.00 0.00 H new ATOM 1381 N LYS A 86 -9.882 3.854 7.812 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.489 3.184 8.986 1.00 0.00 C ATOM 1383 C LYS A 86 -11.677 2.255 8.652 1.00 0.00 C ATOM 1384 O LYS A 86 -12.149 1.520 9.513 1.00 0.00 O ATOM 1385 CB LYS A 86 -10.939 4.246 10.001 1.00 0.00 C ATOM 1386 CG LYS A 86 -9.766 5.064 10.564 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.273 6.079 11.596 1.00 0.00 C ATOM 1388 CE LYS A 86 -9.091 6.866 12.166 1.00 0.00 C ATOM 1389 NZ LYS A 86 -9.538 7.854 13.177 1.00 0.00 N ATOM 0 H LYS A 86 -9.964 4.870 7.847 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.713 2.540 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.651 4.920 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.464 3.758 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.038 4.398 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.254 5.583 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.986 6.760 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.801 5.564 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.377 6.177 12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.570 7.380 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.714 8.371 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.200 8.525 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.013 7.360 13.959 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.193 2.301 7.420 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.265 1.433 6.912 1.00 0.00 C ATOM 1405 C LYS A 87 -12.711 0.040 6.587 1.00 0.00 C ATOM 1406 O LYS A 87 -12.001 -0.129 5.602 1.00 0.00 O ATOM 1407 CB LYS A 87 -13.914 2.082 5.674 1.00 0.00 C ATOM 1408 CG LYS A 87 -14.725 3.349 6.000 1.00 0.00 C ATOM 1409 CD LYS A 87 -15.290 3.969 4.710 1.00 0.00 C ATOM 1410 CE LYS A 87 -15.975 5.324 4.923 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.262 5.213 5.657 1.00 0.00 N ATOM 0 H LYS A 87 -11.865 2.968 6.721 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.031 1.315 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.135 2.334 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.568 1.355 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.540 3.102 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.091 4.073 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.480 4.091 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.006 3.276 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.304 5.982 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.154 5.791 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.679 6.159 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.917 4.609 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.092 4.794 6.594 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.073 -0.961 7.393 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.816 -2.392 7.125 1.00 0.00 C ATOM 1427 C GLU A 88 -13.063 -2.781 5.656 1.00 0.00 C ATOM 1428 O GLU A 88 -12.154 -3.252 4.984 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.626 -3.232 8.138 1.00 0.00 C ATOM 1430 CG GLU A 88 -14.028 -4.667 7.730 1.00 0.00 C ATOM 1431 CD GLU A 88 -15.280 -4.714 6.835 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -16.152 -3.823 6.998 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -15.374 -5.557 5.914 1.00 0.00 O ATOM 0 H GLU A 88 -13.565 -0.803 8.273 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.757 -2.604 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.046 -3.296 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.538 -2.684 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.196 -5.135 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.209 -5.256 8.629 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.273 -2.545 5.150 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.745 -2.975 3.829 1.00 0.00 C ATOM 1442 C LYS A 89 -14.014 -2.385 2.629 1.00 0.00 C ATOM 1443 O LYS A 89 -13.658 -3.132 1.725 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.256 -2.791 3.746 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.843 -1.436 4.180 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.372 -1.515 4.357 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.842 -2.029 5.735 1.00 0.00 C ATOM 1448 NZ LYS A 89 -18.579 -3.471 5.970 1.00 0.00 N ATOM 0 H LYS A 89 -14.983 -2.028 5.669 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.494 -4.033 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.558 -2.971 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.721 -3.567 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.383 -1.122 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.600 -0.678 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.794 -0.523 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.779 -2.167 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.347 -1.449 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.912 -1.846 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.255 -3.838 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.687 -3.994 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.610 -3.593 6.327 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.718 -1.084 2.674 1.00 0.00 N ATOM 1463 CA ASP A 90 -12.784 -0.409 1.766 1.00 0.00 C ATOM 1464 C ASP A 90 -11.485 -1.228 1.650 1.00 0.00 C ATOM 1465 O ASP A 90 -11.055 -1.566 0.549 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.444 0.992 2.310 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.349 2.156 1.883 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.522 2.176 2.317 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.830 3.104 1.239 1.00 0.00 O ATOM 0 H ASP A 90 -14.132 -0.453 3.361 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.252 -0.319 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.452 0.941 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.424 1.231 2.010 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.871 -1.580 2.791 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.658 -2.404 2.837 1.00 0.00 C ATOM 1476 C ARG A 91 -9.878 -3.879 2.488 1.00 0.00 C ATOM 1477 O ARG A 91 -8.971 -4.461 1.912 1.00 0.00 O ATOM 1478 CB ARG A 91 -8.957 -2.260 4.194 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.401 -0.837 4.372 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.419 -0.730 5.541 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.086 -0.736 6.851 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.326 -1.773 7.632 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -8.180 -3.013 7.256 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.690 -1.569 8.860 1.00 0.00 N ATOM 0 H ARG A 91 -11.206 -1.298 3.712 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.011 -2.017 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.659 -2.484 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.146 -2.984 4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.902 -0.529 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.228 -0.145 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.714 -1.560 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.839 0.187 5.439 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.401 0.170 7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.864 -3.225 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.382 -3.771 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.788 -0.616 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.879 -2.361 9.474 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.026 -4.491 2.776 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.317 -5.887 2.411 1.00 0.00 C ATOM 1500 C ASN A 92 -11.477 -6.071 0.891 1.00 0.00 C ATOM 1501 O ASN A 92 -10.898 -7.004 0.329 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.526 -6.425 3.208 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.165 -6.900 4.611 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.016 -7.132 4.944 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.129 -7.166 5.460 1.00 0.00 N ATOM 0 H ASN A 92 -11.790 -4.033 3.273 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.453 -6.490 2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.281 -5.642 3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.976 -7.251 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.909 -7.558 6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.099 -6.981 5.205 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.166 -5.158 0.199 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.091 -5.080 -1.266 1.00 0.00 C ATOM 1514 C ASP A 93 -10.646 -4.862 -1.742 1.00 0.00 C ATOM 1515 O ASP A 93 -10.178 -5.575 -2.634 1.00 0.00 O ATOM 1516 CB ASP A 93 -12.993 -3.959 -1.802 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.452 -4.372 -1.990 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.747 -5.381 -2.684 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.350 -3.619 -1.563 1.00 0.00 O ATOM 0 H ASP A 93 -12.780 -4.465 0.626 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.442 -6.034 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.951 -3.113 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.598 -3.614 -2.757 1.00 0.00 H new ATOM 1524 N LEU A 94 -9.941 -3.887 -1.158 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.594 -3.493 -1.577 1.00 0.00 C ATOM 1526 C LEU A 94 -7.563 -4.621 -1.420 1.00 0.00 C ATOM 1527 O LEU A 94 -6.772 -4.836 -2.330 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.179 -2.226 -0.815 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.036 -1.432 -1.460 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.470 -0.758 -2.761 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.609 -0.342 -0.478 1.00 0.00 C ATOM 0 H LEU A 94 -10.296 -3.343 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.620 -3.278 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.048 -1.574 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.882 -2.508 0.195 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.224 -2.122 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.630 -0.207 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.800 -1.516 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.290 -0.069 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.795 0.240 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.455 0.314 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.272 -0.801 0.451 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.604 -5.382 -0.321 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.859 -6.638 -0.127 1.00 0.00 C ATOM 1545 C ILE A 95 -7.112 -7.566 -1.307 1.00 0.00 C ATOM 1546 O ILE A 95 -6.179 -7.935 -2.011 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.249 -7.338 1.199 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.673 -6.580 2.414 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.755 -8.802 1.234 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.428 -6.906 3.711 1.00 0.00 C ATOM 0 H ILE A 95 -8.175 -5.135 0.487 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.797 -6.398 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.338 -7.333 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.620 -6.836 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.721 -5.507 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.046 -9.262 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.201 -9.356 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.669 -8.822 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.987 -6.350 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.476 -6.626 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.358 -7.975 3.914 1.00 0.00 H new ATOM 1562 N THR A 96 -8.375 -7.945 -1.529 1.00 0.00 N ATOM 1563 CA THR A 96 -8.727 -8.937 -2.552 1.00 0.00 C ATOM 1564 C THR A 96 -8.232 -8.530 -3.948 1.00 0.00 C ATOM 1565 O THR A 96 -7.797 -9.378 -4.724 1.00 0.00 O ATOM 1566 CB THR A 96 -10.236 -9.232 -2.488 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.431 -10.523 -1.972 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.966 -9.206 -3.818 1.00 0.00 C ATOM 0 H THR A 96 -9.174 -7.578 -1.012 1.00 0.00 H new ATOM 0 HA THR A 96 -8.206 -9.870 -2.340 1.00 0.00 H new ATOM 0 HB THR A 96 -10.642 -8.432 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.391 -10.716 -1.927 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.021 -9.427 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.866 -8.219 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.536 -9.954 -4.484 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.228 -7.231 -4.252 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.589 -6.665 -5.440 1.00 0.00 C ATOM 1578 C TYR A 97 -6.052 -6.738 -5.409 1.00 0.00 C ATOM 1579 O TYR A 97 -5.462 -7.385 -6.270 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.062 -5.222 -5.599 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.239 -4.395 -6.563 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.156 -4.755 -7.922 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.512 -3.291 -6.079 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.400 -3.966 -8.811 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.733 -2.524 -6.958 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.710 -2.836 -8.333 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.048 -2.028 -9.195 1.00 0.00 O ATOM 0 H TYR A 97 -8.679 -6.528 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.886 -7.267 -6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.098 -5.228 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.049 -4.739 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.671 -5.634 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.554 -3.034 -5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.350 -4.228 -9.858 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.151 -1.695 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.016 -1.118 -8.832 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.392 -6.061 -4.461 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.941 -5.879 -4.458 1.00 0.00 C ATOM 1599 C LEU A 98 -3.184 -7.189 -4.245 1.00 0.00 C ATOM 1600 O LEU A 98 -2.099 -7.347 -4.796 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.554 -4.821 -3.405 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.075 -3.499 -4.048 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.666 -2.265 -3.365 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.551 -3.393 -3.996 1.00 0.00 C ATOM 0 H LEU A 98 -5.858 -5.621 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.645 -5.523 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.412 -4.620 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.765 -5.219 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.422 -3.524 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.296 -1.365 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.753 -2.296 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.370 -2.253 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.236 -2.455 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.220 -3.419 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.109 -4.228 -4.539 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.777 -8.145 -3.522 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.296 -9.529 -3.448 1.00 0.00 C ATOM 1618 C LYS A 99 -3.356 -10.191 -4.835 1.00 0.00 C ATOM 1619 O LYS A 99 -2.347 -10.696 -5.302 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.059 -10.285 -2.345 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.236 -11.430 -1.732 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.022 -12.115 -0.599 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.162 -12.931 0.377 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.273 -13.909 -0.284 1.00 0.00 N ATOM 0 H LYS A 99 -4.615 -7.977 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.245 -9.556 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.341 -9.585 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.983 -10.689 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.988 -12.160 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.294 -11.042 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.561 -11.352 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.770 -12.774 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.556 -12.247 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.817 -13.460 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.055 -14.682 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.747 -14.296 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.391 -13.438 -0.570 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.475 -10.079 -5.566 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.655 -10.629 -6.937 1.00 0.00 C ATOM 1640 C LYS A 100 -3.906 -9.884 -8.056 1.00 0.00 C ATOM 1641 O LYS A 100 -3.866 -10.316 -9.206 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.156 -10.718 -7.224 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.593 -11.606 -8.410 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.005 -13.036 -8.450 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.081 -13.220 -9.667 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.203 -14.406 -9.539 1.00 0.00 N ATOM 0 H LYS A 100 -5.304 -9.595 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.192 -11.616 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.651 -11.086 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.527 -9.709 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.680 -11.684 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.321 -11.098 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.448 -13.229 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.815 -13.765 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.687 -13.316 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.466 -12.328 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.092 -14.858 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.271 -14.111 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.629 -15.083 -8.874 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.349 -8.731 -7.716 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.377 -7.965 -8.505 1.00 0.00 C ATOM 1662 C ALA A 101 -0.904 -8.394 -8.287 1.00 0.00 C ATOM 1663 O ALA A 101 -0.014 -7.920 -8.998 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.566 -6.477 -8.196 1.00 0.00 C ATOM 0 H ALA A 101 -3.572 -8.273 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.574 -8.172 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.851 -5.892 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.580 -6.176 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.402 -6.303 -7.133 1.00 0.00 H new ATOM 1670 N THR A 102 -0.632 -9.263 -7.302 1.00 0.00 N ATOM 1671 CA THR A 102 0.713 -9.773 -6.965 1.00 0.00 C ATOM 1672 C THR A 102 0.802 -11.308 -6.808 1.00 0.00 C ATOM 1673 O THR A 102 1.905 -11.838 -6.666 1.00 0.00 O ATOM 1674 CB THR A 102 1.266 -9.058 -5.730 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.629 -9.361 -5.608 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.623 -9.440 -4.406 1.00 0.00 C ATOM 0 H THR A 102 -1.361 -9.644 -6.698 1.00 0.00 H new ATOM 0 HA THR A 102 1.337 -9.544 -7.829 1.00 0.00 H new ATOM 0 HB THR A 102 1.053 -8.003 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.809 -10.230 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.089 -8.875 -3.599 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.442 -9.212 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.761 -10.507 -4.229 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.340 -11.999 -6.851 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.590 -13.454 -6.840 1.00 0.00 C ATOM 1686 C GLU A 103 -1.712 -13.764 -7.828 1.00 0.00 C ATOM 1687 O GLU A 103 -1.743 -14.844 -8.453 1.00 0.00 O ATOM 1688 CB GLU A 103 -1.068 -13.915 -5.450 1.00 0.00 C ATOM 1689 CG GLU A 103 -0.034 -13.813 -4.323 1.00 0.00 C ATOM 1690 CD GLU A 103 -0.700 -13.969 -2.945 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.556 -14.869 -2.737 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -0.412 -13.159 -2.033 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.623 -12.922 -7.962 1.00 0.00 O ATOM 0 H GLU A 103 -1.225 -11.494 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 103 0.336 -13.965 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.941 -13.324 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.396 -14.952 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.726 -14.583 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.475 -12.850 -4.378 1.00 0.00 H new