USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=33 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 180:sc= 0.0268 USER MOD Set 1.2: A 78 THR OG1 : rot 162:sc= 0.351 USER MOD Set 2.1: A 63 ASN : amide:sc= 0.379 K(o=1.6,f=-2.1) USER MOD Set 2.2: A 74 TYR OH : rot 150:sc= 1.26 USER MOD Set 3.1: A 40 SER OG : rot 122:sc= 1.46 USER MOD Set 3.2: A 52 ASN : amide:sc= -1.18 K(o=0.28,f=-5!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= -0.191 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.55 K(o=1.4,f=-8.4!) USER MOD Set 5.1: A 1 GLY N :NH3+ 179:sc= 0.554 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 86:sc= 1.73 USER MOD Single : A 2 SER OG : rot 27:sc= 0.984 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.114 (180deg=-0.21) USER MOD Single : A 8 THR OG1 : rot -76:sc= 0.72 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -44:sc= 0.162 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.539 K(o=0.54,f=-0.21) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0264 USER MOD Single : A 18 HIS : no HE2:sc= 0.591 K(o=0.59,f=-2.5!) USER MOD Single : A 26 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0456) USER MOD Single : A 33 HIS : no HE2:sc= -0.336 K(o=-0.34,f=-3) USER MOD Single : A 39 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.19) USER MOD Single : A 42 GLN : amide:sc= 0.118 K(o=0.12,f=-4.5!) USER MOD Single : A 46 TYR OH : rot -150:sc= 0.832 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 173:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= 1.2 (180deg=0.403) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.461 (180deg=-1.07!) USER MOD Single : A 56 ASN : amide:sc= 0.459 X(o=0.46,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.432 K(o=0.43,f=-2.9!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -35:sc= 1.3 USER MOD Single : A 69 THR OG1 : rot 78:sc= 0.842 USER MOD Single : A 70 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 2.09 (180deg=0.307) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= 0.0304 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -138:sc= -0.148 (180deg=-0.349) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 0.954 (180deg=0.953) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0.715) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.971 K(o=0.97,f=-0.002) USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 0.794 (180deg=-1.25!) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 1.56 (180deg=1.01) USER MOD Single : A 102 THR OG1 : rot -31:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.975 -9.157 0.096 1.00 0.00 N ATOM 85 CA GLY A 1 -15.095 -8.524 -0.614 1.00 0.00 C ATOM 86 C GLY A 1 -15.184 -8.955 -2.080 1.00 0.00 C ATOM 87 O GLY A 1 -15.652 -10.053 -2.373 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.951 -8.818 1.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.099 -10.190 0.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.082 -8.912 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.028 -8.774 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.986 -7.441 -0.564 1.00 0.00 H new ATOM 91 N SER A 2 -14.762 -8.112 -3.029 1.00 0.00 N ATOM 92 CA SER A 2 -14.686 -8.482 -4.455 1.00 0.00 C ATOM 93 C SER A 2 -13.662 -7.658 -5.239 1.00 0.00 C ATOM 94 O SER A 2 -13.710 -6.428 -5.254 1.00 0.00 O ATOM 95 CB SER A 2 -16.066 -8.337 -5.102 1.00 0.00 C ATOM 96 OG SER A 2 -16.832 -9.488 -4.825 1.00 0.00 O ATOM 0 H SER A 2 -14.463 -7.156 -2.836 1.00 0.00 H new ATOM 0 HA SER A 2 -14.353 -9.519 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.569 -7.450 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.964 -8.204 -6.179 1.00 0.00 H new ATOM 0 HG SER A 2 -16.527 -9.890 -3.985 1.00 0.00 H new ATOM 102 N ALA A 3 -12.763 -8.325 -5.974 1.00 0.00 N ATOM 103 CA ALA A 3 -11.613 -7.675 -6.612 1.00 0.00 C ATOM 104 C ALA A 3 -11.964 -6.480 -7.532 1.00 0.00 C ATOM 105 O ALA A 3 -11.216 -5.508 -7.565 1.00 0.00 O ATOM 106 CB ALA A 3 -10.783 -8.737 -7.344 1.00 0.00 C ATOM 0 H ALA A 3 -12.813 -9.330 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.025 -7.220 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.925 -8.263 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.434 -9.482 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.399 -9.221 -8.102 1.00 0.00 H new ATOM 112 N LYS A 4 -13.114 -6.477 -8.227 1.00 0.00 N ATOM 113 CA LYS A 4 -13.553 -5.323 -9.048 1.00 0.00 C ATOM 114 C LYS A 4 -13.980 -4.081 -8.259 1.00 0.00 C ATOM 115 O LYS A 4 -13.877 -2.956 -8.759 1.00 0.00 O ATOM 116 CB LYS A 4 -14.651 -5.737 -10.043 1.00 0.00 C ATOM 117 CG LYS A 4 -14.083 -6.597 -11.184 1.00 0.00 C ATOM 118 CD LYS A 4 -15.131 -6.857 -12.278 1.00 0.00 C ATOM 119 CE LYS A 4 -14.482 -7.588 -13.463 1.00 0.00 C ATOM 120 NZ LYS A 4 -15.434 -7.779 -14.587 1.00 0.00 N ATOM 0 H LYS A 4 -13.764 -7.263 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.658 -5.019 -9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.428 -6.294 -9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.122 -4.846 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.218 -6.097 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.733 -7.548 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.949 -7.454 -11.875 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.561 -5.913 -12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.619 -7.020 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.112 -8.558 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.956 -8.276 -15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.245 -8.343 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.768 -6.852 -14.921 1.00 0.00 H new ATOM 134 N LYS A 5 -14.430 -4.277 -7.026 1.00 0.00 N ATOM 135 CA LYS A 5 -14.709 -3.204 -6.062 1.00 0.00 C ATOM 136 C LYS A 5 -13.404 -2.592 -5.565 1.00 0.00 C ATOM 137 O LYS A 5 -13.213 -1.391 -5.728 1.00 0.00 O ATOM 138 CB LYS A 5 -15.574 -3.700 -4.904 1.00 0.00 C ATOM 139 CG LYS A 5 -16.954 -4.202 -5.358 1.00 0.00 C ATOM 140 CD LYS A 5 -17.943 -4.366 -4.191 1.00 0.00 C ATOM 141 CE LYS A 5 -18.837 -3.134 -3.984 1.00 0.00 C ATOM 142 NZ LYS A 5 -18.048 -1.923 -3.647 1.00 0.00 N ATOM 0 H LYS A 5 -14.618 -5.208 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.280 -2.427 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.052 -4.505 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.706 -2.892 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.369 -3.503 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.838 -5.159 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.572 -5.237 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.386 -4.562 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.415 -2.949 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.551 -3.335 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.679 -1.195 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.322 -2.167 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.589 -1.557 -4.506 1.00 0.00 H new ATOM 156 N GLY A 6 -12.473 -3.414 -5.073 1.00 0.00 N ATOM 157 CA GLY A 6 -11.129 -2.946 -4.712 1.00 0.00 C ATOM 158 C GLY A 6 -10.415 -2.217 -5.855 1.00 0.00 C ATOM 159 O GLY A 6 -9.848 -1.148 -5.635 1.00 0.00 O ATOM 0 H GLY A 6 -12.625 -4.410 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.203 -2.278 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.526 -3.799 -4.401 1.00 0.00 H new ATOM 163 N ALA A 7 -10.519 -2.734 -7.084 1.00 0.00 N ATOM 164 CA ALA A 7 -10.003 -2.101 -8.300 1.00 0.00 C ATOM 165 C ALA A 7 -10.590 -0.700 -8.539 1.00 0.00 C ATOM 166 O ALA A 7 -9.853 0.263 -8.755 1.00 0.00 O ATOM 167 CB ALA A 7 -10.294 -3.002 -9.510 1.00 0.00 C ATOM 0 H ALA A 7 -10.977 -3.628 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.928 -1.976 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.910 -2.531 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.809 -3.968 -9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.370 -3.147 -9.605 1.00 0.00 H new ATOM 173 N THR A 8 -11.922 -0.569 -8.544 1.00 0.00 N ATOM 174 CA THR A 8 -12.582 0.734 -8.768 1.00 0.00 C ATOM 175 C THR A 8 -12.312 1.749 -7.656 1.00 0.00 C ATOM 176 O THR A 8 -12.260 2.946 -7.941 1.00 0.00 O ATOM 177 CB THR A 8 -14.095 0.607 -9.009 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.726 -0.257 -8.099 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.371 0.060 -10.410 1.00 0.00 C ATOM 0 H THR A 8 -12.568 -1.345 -8.396 1.00 0.00 H new ATOM 0 HA THR A 8 -12.125 1.115 -9.681 1.00 0.00 H new ATOM 0 HB THR A 8 -14.495 1.613 -8.883 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.529 -1.186 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.447 -0.023 -10.563 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.950 0.736 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.913 -0.924 -10.513 1.00 0.00 H new ATOM 187 N LEU A 9 -12.070 1.287 -6.426 1.00 0.00 N ATOM 188 CA LEU A 9 -11.713 2.084 -5.265 1.00 0.00 C ATOM 189 C LEU A 9 -10.260 2.569 -5.353 1.00 0.00 C ATOM 190 O LEU A 9 -10.013 3.774 -5.327 1.00 0.00 O ATOM 191 CB LEU A 9 -11.989 1.252 -3.995 1.00 0.00 C ATOM 192 CG LEU A 9 -12.187 2.174 -2.782 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.584 2.025 -2.178 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.147 1.954 -1.690 1.00 0.00 C ATOM 0 H LEU A 9 -12.123 0.292 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.324 2.986 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.877 0.637 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.158 0.572 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.064 3.186 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.684 2.694 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.333 2.280 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.732 0.995 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.341 2.634 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.204 0.925 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.152 2.145 -2.091 1.00 0.00 H new ATOM 206 N PHE A 10 -9.302 1.654 -5.546 1.00 0.00 N ATOM 207 CA PHE A 10 -7.884 1.942 -5.816 1.00 0.00 C ATOM 208 C PHE A 10 -7.706 3.039 -6.878 1.00 0.00 C ATOM 209 O PHE A 10 -6.956 3.999 -6.675 1.00 0.00 O ATOM 210 CB PHE A 10 -7.183 0.645 -6.259 1.00 0.00 C ATOM 211 CG PHE A 10 -5.722 0.812 -6.643 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.726 0.856 -5.650 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.352 0.932 -7.998 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.384 1.095 -6.002 1.00 0.00 C ATOM 215 CE2 PHE A 10 -4.002 1.129 -8.346 1.00 0.00 C ATOM 216 CZ PHE A 10 -3.020 1.242 -7.348 1.00 0.00 C ATOM 0 H PHE A 10 -9.499 0.654 -5.518 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.431 2.317 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.251 -0.083 -5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.723 0.229 -7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.992 0.706 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.105 0.873 -8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.631 1.165 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.720 1.194 -9.386 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.993 1.441 -7.615 1.00 0.00 H new ATOM 226 N LYS A 11 -8.449 2.923 -7.988 1.00 0.00 N ATOM 227 CA LYS A 11 -8.375 3.788 -9.180 1.00 0.00 C ATOM 228 C LYS A 11 -8.719 5.269 -8.937 1.00 0.00 C ATOM 229 O LYS A 11 -8.365 6.107 -9.757 1.00 0.00 O ATOM 230 CB LYS A 11 -9.260 3.150 -10.265 1.00 0.00 C ATOM 231 CG LYS A 11 -9.155 3.819 -11.647 1.00 0.00 C ATOM 232 CD LYS A 11 -9.809 2.981 -12.754 1.00 0.00 C ATOM 233 CE LYS A 11 -11.323 2.855 -12.542 1.00 0.00 C ATOM 234 NZ LYS A 11 -11.949 2.027 -13.602 1.00 0.00 N ATOM 0 H LYS A 11 -9.152 2.190 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.334 3.836 -9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.992 2.098 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.299 3.185 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.629 4.800 -11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.105 3.981 -11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.613 3.440 -13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.359 1.988 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.520 2.410 -11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.775 3.847 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.973 1.960 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.781 2.466 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.533 1.074 -13.589 1.00 0.00 H new ATOM 248 N THR A 12 -9.360 5.607 -7.815 1.00 0.00 N ATOM 249 CA THR A 12 -9.733 6.988 -7.435 1.00 0.00 C ATOM 250 C THR A 12 -9.311 7.350 -5.996 1.00 0.00 C ATOM 251 O THR A 12 -9.824 8.284 -5.372 1.00 0.00 O ATOM 252 CB THR A 12 -11.218 7.225 -7.760 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.535 8.594 -7.742 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.197 6.502 -6.836 1.00 0.00 C ATOM 0 H THR A 12 -9.645 4.915 -7.122 1.00 0.00 H new ATOM 0 HA THR A 12 -9.163 7.694 -8.038 1.00 0.00 H new ATOM 0 HB THR A 12 -11.337 6.807 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.119 9.016 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.219 6.728 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.029 5.427 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.042 6.835 -5.810 1.00 0.00 H new ATOM 262 N ARG A 13 -8.350 6.599 -5.433 1.00 0.00 N ATOM 263 CA ARG A 13 -7.789 6.803 -4.081 1.00 0.00 C ATOM 264 C ARG A 13 -6.262 6.709 -4.035 1.00 0.00 C ATOM 265 O ARG A 13 -5.627 7.591 -3.462 1.00 0.00 O ATOM 266 CB ARG A 13 -8.441 5.827 -3.073 1.00 0.00 C ATOM 267 CG ARG A 13 -9.972 5.968 -2.946 1.00 0.00 C ATOM 268 CD ARG A 13 -10.429 7.326 -2.400 1.00 0.00 C ATOM 269 NE ARG A 13 -11.866 7.537 -2.669 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.421 8.564 -3.290 1.00 0.00 C ATOM 271 NH1 ARG A 13 -11.743 9.613 -3.645 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.692 8.541 -3.573 1.00 0.00 N ATOM 0 H ARG A 13 -7.927 5.808 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.031 7.826 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.206 4.805 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.992 5.983 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.424 5.811 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.346 5.180 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.243 7.374 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.846 8.124 -2.860 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.501 6.810 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.744 9.666 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.209 10.384 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.257 7.732 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.122 9.332 -4.052 1.00 0.00 H new ATOM 286 N CYS A 14 -5.692 5.661 -4.630 1.00 0.00 N ATOM 287 CA CYS A 14 -4.288 5.265 -4.472 1.00 0.00 C ATOM 288 C CYS A 14 -3.486 5.439 -5.770 1.00 0.00 C ATOM 289 O CYS A 14 -2.321 5.837 -5.732 1.00 0.00 O ATOM 290 CB CYS A 14 -4.228 3.784 -4.085 1.00 0.00 C ATOM 291 SG CYS A 14 -5.298 3.168 -2.740 1.00 0.00 S ATOM 0 H CYS A 14 -6.209 5.043 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.854 5.905 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.457 3.203 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.197 3.558 -3.813 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.096 1.895 -2.573 1.00 0.00 H new ATOM 296 N LEU A 15 -4.122 5.179 -6.925 1.00 0.00 N ATOM 297 CA LEU A 15 -3.499 5.194 -8.256 1.00 0.00 C ATOM 298 C LEU A 15 -2.778 6.519 -8.595 1.00 0.00 C ATOM 299 O LEU A 15 -1.755 6.517 -9.275 1.00 0.00 O ATOM 300 CB LEU A 15 -4.575 4.803 -9.284 1.00 0.00 C ATOM 301 CG LEU A 15 -4.078 4.764 -10.739 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.022 3.698 -11.029 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.250 4.504 -11.687 1.00 0.00 C ATOM 0 H LEU A 15 -5.114 4.946 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.690 4.464 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.972 3.822 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.401 5.510 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.617 5.739 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.734 3.748 -12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.147 3.873 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.431 2.712 -10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.888 4.478 -12.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.712 3.548 -11.441 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.987 5.300 -11.582 1.00 0.00 H new ATOM 315 N GLN A 16 -3.253 7.641 -8.042 1.00 0.00 N ATOM 316 CA GLN A 16 -2.629 8.967 -8.158 1.00 0.00 C ATOM 317 C GLN A 16 -1.145 9.021 -7.722 1.00 0.00 C ATOM 318 O GLN A 16 -0.387 9.829 -8.261 1.00 0.00 O ATOM 319 CB GLN A 16 -3.496 10.013 -7.424 1.00 0.00 C ATOM 320 CG GLN A 16 -3.659 9.798 -5.907 1.00 0.00 C ATOM 321 CD GLN A 16 -4.594 10.821 -5.256 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.722 11.963 -5.662 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.295 10.460 -4.202 1.00 0.00 N ATOM 0 H GLN A 16 -4.107 7.653 -7.485 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.595 9.208 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.061 10.999 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.486 10.022 -7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.045 8.795 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.680 9.853 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.213 9.512 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.921 11.128 -3.752 1.00 0.00 H new ATOM 332 N CYS A 17 -0.710 8.141 -6.809 1.00 0.00 N ATOM 333 CA CYS A 17 0.657 8.125 -6.258 1.00 0.00 C ATOM 334 C CYS A 17 1.448 6.837 -6.527 1.00 0.00 C ATOM 335 O CYS A 17 2.678 6.862 -6.429 1.00 0.00 O ATOM 336 CB CYS A 17 0.614 8.369 -4.746 1.00 0.00 C ATOM 337 SG CYS A 17 -0.011 10.008 -4.254 1.00 0.00 S ATOM 0 H CYS A 17 -1.306 7.408 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 17 1.183 8.924 -6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.012 7.604 -4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.619 8.243 -4.343 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.006 10.103 -2.958 1.00 0.00 H new ATOM 342 N HIS A 18 0.766 5.733 -6.856 1.00 0.00 N ATOM 343 CA HIS A 18 1.323 4.377 -6.920 1.00 0.00 C ATOM 344 C HIS A 18 0.953 3.611 -8.192 1.00 0.00 C ATOM 345 O HIS A 18 -0.143 3.751 -8.732 1.00 0.00 O ATOM 346 CB HIS A 18 0.787 3.571 -5.731 1.00 0.00 C ATOM 347 CG HIS A 18 1.448 3.916 -4.429 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.789 3.814 -4.141 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.815 4.390 -3.313 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.959 4.215 -2.873 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.780 4.568 -2.324 1.00 0.00 N ATOM 0 H HIS A 18 -0.226 5.761 -7.094 1.00 0.00 H new ATOM 0 HA HIS A 18 2.407 4.491 -6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.286 3.741 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.926 2.508 -5.930 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.520 3.492 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.242 4.590 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.910 4.250 -2.362 1.00 0.00 H new ATOM 359 N THR A 19 1.834 2.704 -8.604 1.00 0.00 N ATOM 360 CA THR A 19 1.589 1.730 -9.677 1.00 0.00 C ATOM 361 C THR A 19 1.338 0.321 -9.123 1.00 0.00 C ATOM 362 O THR A 19 1.647 0.027 -7.968 1.00 0.00 O ATOM 363 CB THR A 19 2.730 1.756 -10.697 1.00 0.00 C ATOM 364 OG1 THR A 19 3.973 1.601 -10.061 1.00 0.00 O ATOM 365 CG2 THR A 19 2.775 3.085 -11.453 1.00 0.00 C ATOM 0 H THR A 19 2.764 2.619 -8.194 1.00 0.00 H new ATOM 0 HA THR A 19 0.675 2.021 -10.195 1.00 0.00 H new ATOM 0 HB THR A 19 2.543 0.935 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.688 1.619 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.597 3.069 -12.169 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.835 3.234 -11.984 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.926 3.901 -10.746 1.00 0.00 H new ATOM 373 N VAL A 20 0.711 -0.533 -9.937 1.00 0.00 N ATOM 374 CA VAL A 20 0.085 -1.807 -9.510 1.00 0.00 C ATOM 375 C VAL A 20 0.421 -3.008 -10.402 1.00 0.00 C ATOM 376 O VAL A 20 0.186 -4.153 -10.033 1.00 0.00 O ATOM 377 CB VAL A 20 -1.433 -1.571 -9.404 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.120 -1.284 -10.749 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.203 -2.676 -8.689 1.00 0.00 C ATOM 0 H VAL A 20 0.617 -0.362 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 20 0.501 -2.084 -8.542 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.477 -0.673 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.187 -1.129 -10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.687 -0.388 -11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.974 -2.130 -11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.263 -2.423 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.068 -3.617 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.829 -2.779 -7.670 1.00 0.00 H new ATOM 389 N GLU A 21 1.032 -2.741 -11.552 1.00 0.00 N ATOM 390 CA GLU A 21 1.549 -3.720 -12.518 1.00 0.00 C ATOM 391 C GLU A 21 3.056 -3.555 -12.749 1.00 0.00 C ATOM 392 O GLU A 21 3.713 -2.671 -12.189 1.00 0.00 O ATOM 393 CB GLU A 21 0.786 -3.617 -13.854 1.00 0.00 C ATOM 394 CG GLU A 21 -0.065 -4.858 -14.158 1.00 0.00 C ATOM 395 CD GLU A 21 0.832 -6.067 -14.420 1.00 0.00 C ATOM 396 OE1 GLU A 21 1.812 -5.914 -15.176 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.650 -7.132 -13.795 1.00 0.00 O ATOM 0 H GLU A 21 1.192 -1.781 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 21 1.389 -4.711 -12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.141 -2.738 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.501 -3.467 -14.663 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.730 -5.065 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.696 -4.670 -15.027 1.00 0.00 H new ATOM 440 N PRO A 25 6.506 2.971 -13.428 1.00 0.00 N ATOM 441 CA PRO A 25 7.586 3.639 -12.710 1.00 0.00 C ATOM 442 C PRO A 25 7.125 4.163 -11.344 1.00 0.00 C ATOM 443 O PRO A 25 5.967 4.536 -11.152 1.00 0.00 O ATOM 444 CB PRO A 25 8.036 4.777 -13.631 1.00 0.00 C ATOM 445 CG PRO A 25 6.762 5.131 -14.398 1.00 0.00 C ATOM 446 CD PRO A 25 6.074 3.776 -14.562 1.00 0.00 C ATOM 0 HA PRO A 25 8.404 2.953 -12.488 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.414 5.628 -13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.835 4.460 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.140 5.835 -13.845 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.985 5.590 -15.361 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.990 3.887 -14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.355 3.306 -15.505 1.00 0.00 H new ATOM 454 N HIS A 26 8.075 4.258 -10.413 1.00 0.00 N ATOM 455 CA HIS A 26 7.900 4.962 -9.145 1.00 0.00 C ATOM 456 C HIS A 26 7.545 6.431 -9.419 1.00 0.00 C ATOM 457 O HIS A 26 8.161 7.063 -10.279 1.00 0.00 O ATOM 458 CB HIS A 26 9.207 4.888 -8.347 1.00 0.00 C ATOM 459 CG HIS A 26 9.877 3.536 -8.257 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.269 2.328 -7.996 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.225 3.314 -8.343 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.245 1.409 -7.868 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.447 1.962 -8.083 1.00 0.00 N ATOM 0 H HIS A 26 9.000 3.842 -10.521 1.00 0.00 H new ATOM 0 HA HIS A 26 7.095 4.499 -8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.915 5.589 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.006 5.235 -7.334 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.980 4.052 -8.571 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.082 0.369 -7.625 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.349 1.486 -8.061 1.00 0.00 H new ATOM 471 N LYS A 27 6.539 6.965 -8.724 1.00 0.00 N ATOM 472 CA LYS A 27 5.953 8.284 -8.986 1.00 0.00 C ATOM 473 C LYS A 27 6.038 9.147 -7.725 1.00 0.00 C ATOM 474 O LYS A 27 7.137 9.580 -7.377 1.00 0.00 O ATOM 475 CB LYS A 27 4.550 8.076 -9.595 1.00 0.00 C ATOM 476 CG LYS A 27 3.998 9.341 -10.268 1.00 0.00 C ATOM 477 CD LYS A 27 2.572 9.097 -10.789 1.00 0.00 C ATOM 478 CE LYS A 27 2.051 10.290 -11.602 1.00 0.00 C ATOM 479 NZ LYS A 27 2.738 10.402 -12.916 1.00 0.00 N ATOM 0 H LYS A 27 6.097 6.481 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 27 6.507 8.858 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.593 7.270 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.863 7.758 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.995 10.167 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.648 9.634 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.560 8.201 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.904 8.911 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.978 10.182 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.198 11.209 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.281 11.143 -13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.737 10.648 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.677 9.493 -13.418 1.00 0.00 H new ATOM 493 N VAL A 28 4.912 9.411 -7.059 1.00 0.00 N ATOM 494 CA VAL A 28 4.910 10.065 -5.744 1.00 0.00 C ATOM 495 C VAL A 28 5.399 9.084 -4.672 1.00 0.00 C ATOM 496 O VAL A 28 6.086 9.503 -3.745 1.00 0.00 O ATOM 497 CB VAL A 28 3.518 10.621 -5.403 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.539 11.459 -4.122 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.948 11.495 -6.529 1.00 0.00 C ATOM 0 H VAL A 28 3.982 9.181 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 28 5.595 10.912 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 28 2.883 9.746 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.536 11.834 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.874 10.841 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.221 12.299 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.964 11.864 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.614 12.339 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.861 10.903 -7.440 1.00 0.00 H new ATOM 509 N GLY A 29 5.086 7.788 -4.832 1.00 0.00 N ATOM 510 CA GLY A 29 5.720 6.664 -4.137 1.00 0.00 C ATOM 511 C GLY A 29 6.131 5.521 -5.091 1.00 0.00 C ATOM 512 O GLY A 29 5.984 5.646 -6.314 1.00 0.00 O ATOM 0 H GLY A 29 4.355 7.486 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.602 7.023 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.033 6.274 -3.386 1.00 0.00 H new ATOM 516 N PRO A 30 6.657 4.402 -4.552 1.00 0.00 N ATOM 517 CA PRO A 30 7.143 3.262 -5.337 1.00 0.00 C ATOM 518 C PRO A 30 6.010 2.456 -6.013 1.00 0.00 C ATOM 519 O PRO A 30 4.836 2.820 -5.976 1.00 0.00 O ATOM 520 CB PRO A 30 7.970 2.432 -4.344 1.00 0.00 C ATOM 521 CG PRO A 30 7.267 2.681 -3.018 1.00 0.00 C ATOM 522 CD PRO A 30 6.832 4.140 -3.127 1.00 0.00 C ATOM 0 HA PRO A 30 7.743 3.587 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.973 1.374 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.010 2.756 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.415 2.015 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.935 2.521 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.904 4.312 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.582 4.804 -2.697 1.00 0.00 H new ATOM 530 N ASN A 31 6.368 1.344 -6.663 1.00 0.00 N ATOM 531 CA ASN A 31 5.406 0.377 -7.222 1.00 0.00 C ATOM 532 C ASN A 31 4.860 -0.566 -6.110 1.00 0.00 C ATOM 533 O ASN A 31 5.503 -0.715 -5.070 1.00 0.00 O ATOM 534 CB ASN A 31 6.119 -0.358 -8.383 1.00 0.00 C ATOM 535 CG ASN A 31 5.173 -1.086 -9.327 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.310 -1.841 -8.938 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.251 -0.866 -10.615 1.00 0.00 N ATOM 0 H ASN A 31 7.342 1.084 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 31 4.520 0.870 -7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.701 0.365 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.824 -1.077 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.598 -1.324 -11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.964 -0.236 -10.983 1.00 0.00 H new ATOM 544 N LEU A 32 3.709 -1.210 -6.330 1.00 0.00 N ATOM 545 CA LEU A 32 3.051 -2.157 -5.420 1.00 0.00 C ATOM 546 C LEU A 32 2.976 -3.605 -5.977 1.00 0.00 C ATOM 547 O LEU A 32 2.494 -4.515 -5.307 1.00 0.00 O ATOM 548 CB LEU A 32 1.663 -1.598 -5.046 1.00 0.00 C ATOM 549 CG LEU A 32 1.663 -0.196 -4.391 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.220 0.255 -4.141 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.416 -0.155 -3.058 1.00 0.00 C ATOM 0 H LEU A 32 3.182 -1.078 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 32 3.662 -2.248 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.052 -1.558 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.180 -2.298 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 32 2.175 0.470 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.222 1.243 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.317 0.298 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.273 -0.455 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.379 0.855 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.951 -0.847 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.455 -0.444 -3.218 1.00 0.00 H new ATOM 563 N HIS A 33 3.473 -3.853 -7.190 1.00 0.00 N ATOM 564 CA HIS A 33 3.581 -5.171 -7.819 1.00 0.00 C ATOM 565 C HIS A 33 4.762 -5.978 -7.236 1.00 0.00 C ATOM 566 O HIS A 33 5.830 -6.083 -7.846 1.00 0.00 O ATOM 567 CB HIS A 33 3.682 -4.980 -9.345 1.00 0.00 C ATOM 568 CG HIS A 33 3.301 -6.224 -10.094 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.015 -6.578 -10.404 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.116 -7.258 -10.467 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.037 -7.804 -10.936 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.303 -8.252 -11.035 1.00 0.00 N ATOM 0 H HIS A 33 3.827 -3.107 -7.788 1.00 0.00 H new ATOM 0 HA HIS A 33 2.691 -5.761 -7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.033 -4.159 -9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.701 -4.696 -9.608 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.184 -6.005 -10.255 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.188 -7.302 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.162 -8.358 -11.243 1.00 0.00 H new ATOM 580 N GLY A 34 4.572 -6.519 -6.028 1.00 0.00 N ATOM 581 CA GLY A 34 5.532 -7.390 -5.331 1.00 0.00 C ATOM 582 C GLY A 34 5.934 -6.988 -3.903 1.00 0.00 C ATOM 583 O GLY A 34 6.903 -7.548 -3.387 1.00 0.00 O ATOM 0 H GLY A 34 3.721 -6.360 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.112 -8.395 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.438 -7.446 -5.934 1.00 0.00 H new ATOM 587 N ILE A 35 5.251 -6.025 -3.261 1.00 0.00 N ATOM 588 CA ILE A 35 5.555 -5.664 -1.867 1.00 0.00 C ATOM 589 C ILE A 35 5.118 -6.725 -0.850 1.00 0.00 C ATOM 590 O ILE A 35 5.796 -6.872 0.163 1.00 0.00 O ATOM 591 CB ILE A 35 5.041 -4.266 -1.463 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.544 -4.179 -1.096 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.460 -3.187 -2.474 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.528 -4.470 -2.198 1.00 0.00 C ATOM 0 H ILE A 35 4.492 -5.488 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 35 6.644 -5.623 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 35 5.545 -4.062 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.358 -4.873 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.349 -3.176 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.078 -2.218 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.548 -3.146 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.052 -3.430 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.519 -4.372 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.665 -3.762 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.674 -5.485 -2.569 1.00 0.00 H new ATOM 606 N PHE A 36 4.024 -7.462 -1.074 1.00 0.00 N ATOM 607 CA PHE A 36 3.603 -8.550 -0.199 1.00 0.00 C ATOM 608 C PHE A 36 4.715 -9.607 -0.099 1.00 0.00 C ATOM 609 O PHE A 36 5.420 -9.912 -1.063 1.00 0.00 O ATOM 610 CB PHE A 36 2.271 -9.143 -0.673 1.00 0.00 C ATOM 611 CG PHE A 36 1.054 -8.281 -0.380 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.470 -8.318 0.902 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.473 -7.475 -1.382 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.694 -7.574 1.174 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.702 -6.748 -1.117 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.287 -6.801 0.161 1.00 0.00 C ATOM 0 H PHE A 36 3.406 -7.316 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 36 3.433 -8.160 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.327 -9.316 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.133 -10.116 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.917 -8.920 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.933 -7.416 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.131 -7.597 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.154 -6.150 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.192 -6.248 0.364 1.00 0.00 H new ATOM 626 N GLY A 37 4.913 -10.096 1.119 1.00 0.00 N ATOM 627 CA GLY A 37 5.990 -11.003 1.530 1.00 0.00 C ATOM 628 C GLY A 37 7.383 -10.358 1.511 1.00 0.00 C ATOM 629 O GLY A 37 8.353 -10.948 1.992 1.00 0.00 O ATOM 0 H GLY A 37 4.294 -9.860 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.782 -11.367 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.993 -11.871 0.871 1.00 0.00 H new ATOM 633 N ARG A 38 7.509 -9.129 0.995 1.00 0.00 N ATOM 634 CA ARG A 38 8.691 -8.285 1.140 1.00 0.00 C ATOM 635 C ARG A 38 8.643 -7.564 2.487 1.00 0.00 C ATOM 636 O ARG A 38 7.663 -7.613 3.227 1.00 0.00 O ATOM 637 CB ARG A 38 8.762 -7.292 -0.044 1.00 0.00 C ATOM 638 CG ARG A 38 10.171 -7.090 -0.594 1.00 0.00 C ATOM 639 CD ARG A 38 10.586 -8.291 -1.452 1.00 0.00 C ATOM 640 NE ARG A 38 12.023 -8.226 -1.735 1.00 0.00 N ATOM 641 CZ ARG A 38 12.743 -8.961 -2.548 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.222 -9.904 -3.283 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.019 -8.740 -2.612 1.00 0.00 N ATOM 0 H ARG A 38 6.768 -8.686 0.451 1.00 0.00 H new ATOM 0 HA ARG A 38 9.595 -8.894 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.117 -7.651 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.366 -6.329 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.208 -6.178 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.875 -6.962 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.350 -9.220 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.022 -8.295 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 38 12.536 -7.506 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.220 -10.091 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.816 -10.454 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.439 -8.009 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.602 -9.297 -3.236 1.00 0.00 H new ATOM 657 N HIS A 39 9.746 -6.907 2.799 1.00 0.00 N ATOM 658 CA HIS A 39 9.866 -5.993 3.928 1.00 0.00 C ATOM 659 C HIS A 39 9.834 -4.569 3.388 1.00 0.00 C ATOM 660 O HIS A 39 10.446 -4.304 2.346 1.00 0.00 O ATOM 661 CB HIS A 39 11.157 -6.291 4.681 1.00 0.00 C ATOM 662 CG HIS A 39 11.121 -7.615 5.400 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.997 -8.873 4.848 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.132 -7.761 6.755 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.961 -9.759 5.857 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.039 -9.127 7.034 1.00 0.00 N ATOM 0 H HIS A 39 10.608 -6.995 2.261 1.00 0.00 H new ATOM 0 HA HIS A 39 9.042 -6.117 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.991 -6.286 3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.343 -5.496 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.200 -6.965 7.482 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.881 -10.829 5.736 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.032 -9.560 7.958 1.00 0.00 H new ATOM 674 N SER A 40 9.118 -3.676 4.073 1.00 0.00 N ATOM 675 CA SER A 40 8.911 -2.295 3.634 1.00 0.00 C ATOM 676 C SER A 40 10.216 -1.564 3.315 1.00 0.00 C ATOM 677 O SER A 40 11.243 -1.816 3.948 1.00 0.00 O ATOM 678 CB SER A 40 8.032 -1.534 4.638 1.00 0.00 C ATOM 679 OG SER A 40 8.703 -1.110 5.816 1.00 0.00 O ATOM 0 H SER A 40 8.660 -3.894 4.958 1.00 0.00 H new ATOM 0 HA SER A 40 8.374 -2.333 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.612 -0.659 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.195 -2.172 4.923 1.00 0.00 H new ATOM 0 HG SER A 40 8.626 -0.137 5.904 1.00 0.00 H new ATOM 685 N GLY A 41 10.198 -0.687 2.310 1.00 0.00 N ATOM 686 CA GLY A 41 11.389 0.103 1.961 1.00 0.00 C ATOM 687 C GLY A 41 12.486 -0.583 1.136 1.00 0.00 C ATOM 688 O GLY A 41 13.572 -0.025 1.016 1.00 0.00 O ATOM 0 H GLY A 41 9.382 -0.504 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.057 0.984 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.839 0.457 2.888 1.00 0.00 H new ATOM 692 N GLN A 42 12.264 -1.786 0.588 1.00 0.00 N ATOM 693 CA GLN A 42 13.296 -2.549 -0.140 1.00 0.00 C ATOM 694 C GLN A 42 13.606 -2.106 -1.591 1.00 0.00 C ATOM 695 O GLN A 42 14.511 -2.687 -2.193 1.00 0.00 O ATOM 696 CB GLN A 42 12.958 -4.057 -0.097 1.00 0.00 C ATOM 697 CG GLN A 42 13.656 -4.760 1.081 1.00 0.00 C ATOM 698 CD GLN A 42 13.672 -6.282 0.947 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.807 -6.858 -0.125 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.570 -7.028 2.025 1.00 0.00 N ATOM 0 H GLN A 42 11.363 -2.261 0.635 1.00 0.00 H new ATOM 0 HA GLN A 42 14.219 -2.327 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.879 -4.186 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.262 -4.526 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.681 -4.397 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.152 -4.488 2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.456 -6.590 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.605 -8.044 1.947 1.00 0.00 H new ATOM 741 N TYR A 46 14.877 3.753 -5.310 1.00 0.00 N ATOM 742 CA TYR A 46 14.019 4.864 -4.868 1.00 0.00 C ATOM 743 C TYR A 46 14.167 5.138 -3.365 1.00 0.00 C ATOM 744 O TYR A 46 13.998 4.243 -2.542 1.00 0.00 O ATOM 745 CB TYR A 46 12.564 4.568 -5.250 1.00 0.00 C ATOM 746 CG TYR A 46 11.646 5.781 -5.248 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.073 6.234 -4.046 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.358 6.454 -6.454 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.164 7.312 -4.061 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.434 7.518 -6.478 1.00 0.00 C ATOM 751 CZ TYR A 46 9.818 7.936 -5.277 1.00 0.00 C ATOM 752 OH TYR A 46 8.910 8.947 -5.292 1.00 0.00 O ATOM 0 HA TYR A 46 14.338 5.774 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.548 4.119 -6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.165 3.826 -4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.329 5.756 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.850 6.151 -7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.730 7.662 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.198 8.011 -7.409 1.00 0.00 H new ATOM 0 HH TYR A 46 8.436 8.948 -6.150 1.00 0.00 H new ATOM 762 N SER A 47 14.525 6.368 -2.994 1.00 0.00 N ATOM 763 CA SER A 47 14.696 6.759 -1.585 1.00 0.00 C ATOM 764 C SER A 47 13.366 6.753 -0.820 1.00 0.00 C ATOM 765 O SER A 47 12.393 7.355 -1.272 1.00 0.00 O ATOM 766 CB SER A 47 15.310 8.157 -1.480 1.00 0.00 C ATOM 767 OG SER A 47 16.557 8.213 -2.147 1.00 0.00 O ATOM 0 H SER A 47 14.705 7.123 -3.656 1.00 0.00 H new ATOM 0 HA SER A 47 15.363 6.021 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.629 8.891 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.442 8.423 -0.431 1.00 0.00 H new ATOM 0 HG SER A 47 16.930 9.116 -2.068 1.00 0.00 H new ATOM 773 N TYR A 48 13.347 6.127 0.360 1.00 0.00 N ATOM 774 CA TYR A 48 12.211 6.118 1.291 1.00 0.00 C ATOM 775 C TYR A 48 12.454 7.050 2.488 1.00 0.00 C ATOM 776 O TYR A 48 13.578 7.512 2.708 1.00 0.00 O ATOM 777 CB TYR A 48 12.014 4.689 1.822 1.00 0.00 C ATOM 778 CG TYR A 48 11.439 3.709 0.823 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.273 3.094 -0.130 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.072 3.394 0.864 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.735 2.163 -1.031 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.537 2.436 -0.021 1.00 0.00 C ATOM 783 CZ TYR A 48 10.371 1.803 -0.968 1.00 0.00 C ATOM 784 OH TYR A 48 9.899 0.814 -1.775 1.00 0.00 O ATOM 0 H TYR A 48 14.146 5.595 0.706 1.00 0.00 H new ATOM 0 HA TYR A 48 11.329 6.466 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.976 4.310 2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.356 4.728 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.324 3.338 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.427 3.887 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.371 1.717 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.487 2.186 0.026 1.00 0.00 H new ATOM 0 HH TYR A 48 8.974 0.604 -1.529 1.00 0.00 H new ATOM 794 N THR A 49 11.446 7.246 3.340 1.00 0.00 N ATOM 795 CA THR A 49 11.654 7.726 4.711 1.00 0.00 C ATOM 796 C THR A 49 12.541 6.774 5.516 1.00 0.00 C ATOM 797 O THR A 49 12.335 5.557 5.542 1.00 0.00 O ATOM 798 CB THR A 49 10.341 7.953 5.480 1.00 0.00 C ATOM 799 OG1 THR A 49 9.499 6.820 5.498 1.00 0.00 O ATOM 800 CG2 THR A 49 9.535 9.105 4.900 1.00 0.00 C ATOM 0 H THR A 49 10.468 7.078 3.103 1.00 0.00 H new ATOM 0 HA THR A 49 12.153 8.689 4.601 1.00 0.00 H new ATOM 0 HB THR A 49 10.661 8.179 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.684 7.026 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.616 9.231 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.122 10.022 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.288 8.889 3.860 1.00 0.00 H new ATOM 808 N ASP A 50 13.496 7.326 6.265 1.00 0.00 N ATOM 809 CA ASP A 50 14.260 6.632 7.281 1.00 0.00 C ATOM 810 C ASP A 50 13.365 6.013 8.372 1.00 0.00 C ATOM 811 O ASP A 50 13.697 4.962 8.915 1.00 0.00 O ATOM 812 CB ASP A 50 15.274 7.646 7.826 1.00 0.00 C ATOM 813 CG ASP A 50 14.705 8.579 8.899 1.00 0.00 C ATOM 814 OD1 ASP A 50 13.627 9.147 8.656 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.309 8.642 9.998 1.00 0.00 O ATOM 0 H ASP A 50 13.762 8.306 6.171 1.00 0.00 H new ATOM 0 HA ASP A 50 14.781 5.772 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.125 7.106 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.652 8.247 6.999 1.00 0.00 H new ATOM 820 N ALA A 51 12.201 6.611 8.647 1.00 0.00 N ATOM 821 CA ALA A 51 11.110 6.051 9.444 1.00 0.00 C ATOM 822 C ALA A 51 10.590 4.702 8.901 1.00 0.00 C ATOM 823 O ALA A 51 10.390 3.776 9.687 1.00 0.00 O ATOM 824 CB ALA A 51 9.993 7.099 9.540 1.00 0.00 C ATOM 0 H ALA A 51 11.986 7.546 8.301 1.00 0.00 H new ATOM 0 HA ALA A 51 11.490 5.822 10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.169 6.700 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.379 8.000 10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.636 7.343 8.539 1.00 0.00 H new ATOM 830 N ASN A 52 10.400 4.560 7.584 1.00 0.00 N ATOM 831 CA ASN A 52 10.010 3.294 6.961 1.00 0.00 C ATOM 832 C ASN A 52 11.154 2.262 6.930 1.00 0.00 C ATOM 833 O ASN A 52 10.914 1.067 7.091 1.00 0.00 O ATOM 834 CB ASN A 52 9.466 3.593 5.558 1.00 0.00 C ATOM 835 CG ASN A 52 9.156 2.316 4.813 1.00 0.00 C ATOM 836 OD1 ASN A 52 8.382 1.480 5.250 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.796 2.080 3.699 1.00 0.00 N ATOM 0 H ASN A 52 10.514 5.325 6.919 1.00 0.00 H new ATOM 0 HA ASN A 52 9.232 2.830 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.564 4.201 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.196 4.177 4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.647 1.202 3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.445 2.774 3.327 1.00 0.00 H new ATOM 844 N ILE A 53 12.407 2.700 6.805 1.00 0.00 N ATOM 845 CA ILE A 53 13.586 1.828 6.943 1.00 0.00 C ATOM 846 C ILE A 53 13.684 1.309 8.390 1.00 0.00 C ATOM 847 O ILE A 53 13.680 0.110 8.623 1.00 0.00 O ATOM 848 CB ILE A 53 14.848 2.573 6.478 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.724 2.954 4.981 1.00 0.00 C ATOM 850 CG2 ILE A 53 16.108 1.713 6.693 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.810 3.907 4.467 1.00 0.00 C ATOM 0 H ILE A 53 12.639 3.673 6.604 1.00 0.00 H new ATOM 0 HA ILE A 53 13.487 0.953 6.300 1.00 0.00 H new ATOM 0 HB ILE A 53 14.942 3.480 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.750 2.042 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.750 3.414 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.986 2.264 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.212 1.478 7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.019 0.788 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.640 4.116 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.774 4.839 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.789 3.445 4.593 1.00 0.00 H new ATOM 863 N LYS A 54 13.597 2.185 9.398 1.00 0.00 N ATOM 864 CA LYS A 54 13.313 1.872 10.816 1.00 0.00 C ATOM 865 C LYS A 54 11.925 1.240 11.064 1.00 0.00 C ATOM 866 O LYS A 54 11.449 1.155 12.202 1.00 0.00 O ATOM 867 CB LYS A 54 13.540 3.138 11.656 1.00 0.00 C ATOM 868 CG LYS A 54 15.018 3.566 11.588 1.00 0.00 C ATOM 869 CD LYS A 54 15.311 4.841 12.390 1.00 0.00 C ATOM 870 CE LYS A 54 14.777 6.052 11.619 1.00 0.00 C ATOM 871 NZ LYS A 54 15.113 7.340 12.267 1.00 0.00 N ATOM 0 H LYS A 54 13.729 3.185 9.246 1.00 0.00 H new ATOM 0 HA LYS A 54 14.008 1.092 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.904 3.944 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.255 2.952 12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.643 2.756 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.296 3.727 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.842 4.784 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.384 4.943 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.185 6.042 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.694 5.969 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.437 8.017 11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.270 7.719 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.868 7.190 12.966 1.00 0.00 H new ATOM 885 N LYS A 55 11.241 0.791 10.009 1.00 0.00 N ATOM 886 CA LYS A 55 10.094 -0.125 10.071 1.00 0.00 C ATOM 887 C LYS A 55 10.403 -1.500 9.470 1.00 0.00 C ATOM 888 O LYS A 55 10.212 -2.469 10.196 1.00 0.00 O ATOM 889 CB LYS A 55 8.824 0.550 9.513 1.00 0.00 C ATOM 890 CG LYS A 55 7.519 -0.162 9.901 1.00 0.00 C ATOM 891 CD LYS A 55 6.906 0.237 11.256 1.00 0.00 C ATOM 892 CE LYS A 55 7.647 -0.287 12.496 1.00 0.00 C ATOM 893 NZ LYS A 55 8.664 0.669 13.013 1.00 0.00 N ATOM 0 H LYS A 55 11.477 1.063 9.055 1.00 0.00 H new ATOM 0 HA LYS A 55 9.885 -0.340 11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.785 1.579 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.894 0.592 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.781 0.027 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.704 -1.236 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.866 1.325 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.877 -0.122 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.923 -0.499 13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.135 -1.230 12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.585 0.191 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.744 1.476 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.375 1.009 13.952 1.00 0.00 H new ATOM 907 N ASN A 56 10.829 -1.578 8.203 1.00 0.00 N ATOM 908 CA ASN A 56 11.000 -2.812 7.417 1.00 0.00 C ATOM 909 C ASN A 56 9.874 -3.824 7.692 1.00 0.00 C ATOM 910 O ASN A 56 10.126 -4.997 7.931 1.00 0.00 O ATOM 911 CB ASN A 56 12.433 -3.366 7.593 1.00 0.00 C ATOM 912 CG ASN A 56 13.550 -2.531 6.975 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.667 -2.508 7.460 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.358 -1.887 5.842 1.00 0.00 N ATOM 0 H ASN A 56 11.076 -0.744 7.670 1.00 0.00 H new ATOM 0 HA ASN A 56 10.899 -2.583 6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.632 -3.472 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.471 -4.366 7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.132 -1.391 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.436 -1.885 5.407 1.00 0.00 H new ATOM 921 N VAL A 57 8.614 -3.381 7.701 1.00 0.00 N ATOM 922 CA VAL A 57 7.484 -4.249 8.064 1.00 0.00 C ATOM 923 C VAL A 57 7.279 -5.320 6.996 1.00 0.00 C ATOM 924 O VAL A 57 7.235 -4.997 5.811 1.00 0.00 O ATOM 925 CB VAL A 57 6.214 -3.422 8.375 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.983 -3.724 7.516 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.876 -3.605 9.859 1.00 0.00 C ATOM 0 H VAL A 57 8.348 -2.426 7.461 1.00 0.00 H new ATOM 0 HA VAL A 57 7.716 -4.775 8.990 1.00 0.00 H new ATOM 0 HB VAL A 57 6.461 -2.390 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.157 -3.084 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.215 -3.535 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.699 -4.769 7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.982 -3.030 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.695 -4.660 10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.710 -3.255 10.468 1.00 0.00 H new ATOM 937 N LEU A 58 7.181 -6.589 7.404 1.00 0.00 N ATOM 938 CA LEU A 58 6.864 -7.690 6.491 1.00 0.00 C ATOM 939 C LEU A 58 5.402 -7.562 6.034 1.00 0.00 C ATOM 940 O LEU A 58 4.483 -7.875 6.790 1.00 0.00 O ATOM 941 CB LEU A 58 7.187 -9.054 7.130 1.00 0.00 C ATOM 942 CG LEU A 58 7.243 -10.221 6.113 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.892 -11.438 6.781 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.866 -10.676 5.610 1.00 0.00 C ATOM 0 H LEU A 58 7.319 -6.880 8.372 1.00 0.00 H new ATOM 0 HA LEU A 58 7.493 -7.629 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.145 -8.986 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.434 -9.278 7.886 1.00 0.00 H new ATOM 0 HG LEU A 58 7.811 -9.846 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.935 -12.263 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.902 -11.182 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.302 -11.735 7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.990 -11.496 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.264 -11.013 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.365 -9.843 5.117 1.00 0.00 H new ATOM 956 N TRP A 59 5.201 -7.051 4.823 1.00 0.00 N ATOM 957 CA TRP A 59 3.897 -6.824 4.202 1.00 0.00 C ATOM 958 C TRP A 59 3.095 -8.129 4.062 1.00 0.00 C ATOM 959 O TRP A 59 3.357 -8.945 3.183 1.00 0.00 O ATOM 960 CB TRP A 59 4.097 -6.135 2.849 1.00 0.00 C ATOM 961 CG TRP A 59 4.657 -4.740 2.872 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.717 -4.292 2.158 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.184 -3.591 3.637 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.879 -2.932 2.367 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.008 -2.472 3.327 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.155 -3.386 4.575 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.850 -1.229 3.957 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.984 -2.146 5.211 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.847 -1.073 4.924 1.00 0.00 C ATOM 0 H TRP A 59 5.975 -6.771 4.220 1.00 0.00 H new ATOM 0 HA TRP A 59 3.308 -6.173 4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.759 -6.757 2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.135 -6.106 2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.341 -4.902 1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.555 -2.349 1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.484 -4.199 4.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.494 -0.401 3.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.185 -2.015 5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.738 -0.134 5.446 1.00 0.00 H new ATOM 980 N ASP A 60 2.094 -8.292 4.915 1.00 0.00 N ATOM 981 CA ASP A 60 1.108 -9.380 4.909 1.00 0.00 C ATOM 982 C ASP A 60 -0.306 -8.781 4.842 1.00 0.00 C ATOM 983 O ASP A 60 -0.480 -7.573 5.021 1.00 0.00 O ATOM 984 CB ASP A 60 1.339 -10.243 6.162 1.00 0.00 C ATOM 985 CG ASP A 60 0.485 -11.509 6.263 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.020 -11.962 5.214 1.00 0.00 O ATOM 987 OD2 ASP A 60 0.342 -12.008 7.403 1.00 0.00 O ATOM 0 H ASP A 60 1.933 -7.633 5.677 1.00 0.00 H new ATOM 0 HA ASP A 60 1.219 -10.023 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.389 -10.532 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.151 -9.629 7.043 1.00 0.00 H new ATOM 992 N GLU A 61 -1.313 -9.607 4.591 1.00 0.00 N ATOM 993 CA GLU A 61 -2.720 -9.207 4.431 1.00 0.00 C ATOM 994 C GLU A 61 -3.229 -8.377 5.620 1.00 0.00 C ATOM 995 O GLU A 61 -3.695 -7.250 5.429 1.00 0.00 O ATOM 996 CB GLU A 61 -3.593 -10.448 4.169 1.00 0.00 C ATOM 997 CG GLU A 61 -3.399 -10.943 2.731 1.00 0.00 C ATOM 998 CD GLU A 61 -4.058 -12.306 2.486 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.227 -12.367 2.043 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.370 -13.342 2.519 1.00 0.00 O ATOM 0 H GLU A 61 -1.176 -10.612 4.488 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.791 -8.552 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.332 -11.239 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.642 -10.205 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.816 -10.212 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.333 -11.014 2.515 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.060 -8.895 6.841 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.237 -8.188 8.109 1.00 0.00 C ATOM 1009 C ASN A 62 -2.316 -6.945 8.225 1.00 0.00 C ATOM 1010 O ASN A 62 -2.803 -5.816 8.295 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.082 -9.210 9.262 1.00 0.00 C ATOM 1012 CG ASN A 62 -1.829 -10.061 9.170 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -0.729 -9.591 9.418 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -1.953 -11.280 8.709 1.00 0.00 N ATOM 0 H ASN A 62 -2.782 -9.867 6.976 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.241 -7.767 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.075 -8.673 10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.953 -9.865 9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.124 -11.853 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.879 -11.657 8.507 1.00 0.00 H new ATOM 1021 N ASN A 63 -0.991 -7.113 8.229 1.00 0.00 N ATOM 1022 CA ASN A 63 0.018 -6.084 8.523 1.00 0.00 C ATOM 1023 C ASN A 63 -0.033 -4.862 7.576 1.00 0.00 C ATOM 1024 O ASN A 63 0.019 -3.710 8.013 1.00 0.00 O ATOM 1025 CB ASN A 63 1.383 -6.804 8.495 1.00 0.00 C ATOM 1026 CG ASN A 63 2.545 -5.999 9.049 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.470 -4.829 9.378 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.696 -6.610 9.158 1.00 0.00 N ATOM 0 H ASN A 63 -0.568 -8.016 8.017 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.177 -5.641 9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.300 -7.731 9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.610 -7.080 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.509 -6.107 9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.781 -7.590 8.888 1.00 0.00 H new ATOM 1035 N MET A 64 -0.181 -5.090 6.270 1.00 0.00 N ATOM 1036 CA MET A 64 -0.367 -4.006 5.306 1.00 0.00 C ATOM 1037 C MET A 64 -1.715 -3.295 5.497 1.00 0.00 C ATOM 1038 O MET A 64 -1.784 -2.086 5.286 1.00 0.00 O ATOM 1039 CB MET A 64 -0.189 -4.544 3.879 1.00 0.00 C ATOM 1040 CG MET A 64 0.013 -3.421 2.856 1.00 0.00 C ATOM 1041 SD MET A 64 0.524 -4.028 1.226 1.00 0.00 S ATOM 1042 CE MET A 64 -0.766 -3.309 0.187 1.00 0.00 C ATOM 0 H MET A 64 -0.175 -6.022 5.854 1.00 0.00 H new ATOM 0 HA MET A 64 0.397 -3.249 5.482 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.668 -5.217 3.851 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.065 -5.131 3.603 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.916 -2.860 2.753 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.765 -2.727 3.231 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.595 -3.590 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.740 -3.679 0.508 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.743 -2.223 0.278 1.00 0.00 H new ATOM 1052 N SER A 65 -2.775 -4.006 5.911 1.00 0.00 N ATOM 1053 CA SER A 65 -4.073 -3.392 6.225 1.00 0.00 C ATOM 1054 C SER A 65 -4.028 -2.408 7.402 1.00 0.00 C ATOM 1055 O SER A 65 -4.690 -1.373 7.320 1.00 0.00 O ATOM 1056 CB SER A 65 -5.175 -4.440 6.408 1.00 0.00 C ATOM 1057 OG SER A 65 -5.202 -5.036 7.680 1.00 0.00 O ATOM 0 H SER A 65 -2.756 -5.018 6.037 1.00 0.00 H new ATOM 0 HA SER A 65 -4.324 -2.793 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.141 -3.971 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.047 -5.220 5.657 1.00 0.00 H new ATOM 0 HG SER A 65 -4.286 -5.132 8.016 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.195 -2.643 8.424 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.965 -1.706 9.537 1.00 0.00 C ATOM 1065 C GLU A 66 -2.289 -0.423 9.033 1.00 0.00 C ATOM 1066 O GLU A 66 -2.835 0.678 9.149 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.128 -2.408 10.625 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.840 -1.541 11.861 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.121 -1.165 12.617 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.824 -0.249 12.126 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.395 -1.801 13.663 1.00 0.00 O ATOM 0 H GLU A 66 -2.652 -3.503 8.504 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.919 -1.411 9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.650 -3.310 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.180 -2.725 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.169 -2.078 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.322 -0.633 11.553 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.147 -0.568 8.347 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.485 0.565 7.694 1.00 0.00 C ATOM 1080 C TYR A 67 -1.425 1.350 6.767 1.00 0.00 C ATOM 1081 O TYR A 67 -1.440 2.577 6.786 1.00 0.00 O ATOM 1082 CB TYR A 67 0.735 0.085 6.909 1.00 0.00 C ATOM 1083 CG TYR A 67 1.465 1.203 6.191 1.00 0.00 C ATOM 1084 CD1 TYR A 67 2.002 2.262 6.938 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.594 1.211 4.788 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.686 3.318 6.314 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.309 2.246 4.158 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.873 3.294 4.918 1.00 0.00 C ATOM 1089 OH TYR A 67 3.590 4.275 4.304 1.00 0.00 O ATOM 0 H TYR A 67 -0.664 -1.459 8.231 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.172 1.245 8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.425 -0.411 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.418 -0.660 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.887 2.265 8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.146 0.425 4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.066 4.142 6.900 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.427 2.239 3.085 1.00 0.00 H new ATOM 0 HH TYR A 67 3.621 4.103 3.340 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.250 0.665 5.972 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.238 1.315 5.114 1.00 0.00 C ATOM 1101 C LEU A 68 -4.370 2.010 5.898 1.00 0.00 C ATOM 1102 O LEU A 68 -5.007 2.929 5.371 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.792 0.262 4.142 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.829 -0.153 3.020 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.473 -1.291 2.226 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.544 0.999 2.063 1.00 0.00 C ATOM 0 H LEU A 68 -2.251 -0.353 5.906 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.744 2.118 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.069 -0.626 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.706 0.650 3.692 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.888 -0.461 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.803 -1.600 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.660 -2.136 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.416 -0.949 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.859 0.664 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.476 1.333 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.093 1.825 2.612 1.00 0.00 H new ATOM 1118 N THR A 69 -4.672 1.581 7.121 1.00 0.00 N ATOM 1119 CA THR A 69 -5.653 2.204 8.026 1.00 0.00 C ATOM 1120 C THR A 69 -5.170 3.548 8.563 1.00 0.00 C ATOM 1121 O THR A 69 -5.870 4.546 8.383 1.00 0.00 O ATOM 1122 CB THR A 69 -6.077 1.257 9.150 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.623 0.105 8.551 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.174 1.837 10.048 1.00 0.00 C ATOM 0 H THR A 69 -4.227 0.760 7.531 1.00 0.00 H new ATOM 0 HA THR A 69 -6.543 2.407 7.430 1.00 0.00 H new ATOM 0 HB THR A 69 -5.196 1.065 9.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.898 -0.470 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.428 1.115 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.817 2.757 10.511 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.059 2.052 9.449 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.994 3.596 9.200 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.417 4.848 9.693 1.00 0.00 C ATOM 1134 C ASN A 70 -1.885 4.898 9.480 1.00 0.00 C ATOM 1135 O ASN A 70 -1.110 4.713 10.429 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.858 5.073 11.150 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.727 6.527 11.583 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.880 7.292 11.140 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.555 6.968 12.502 1.00 0.00 N ATOM 0 H ASN A 70 -3.421 2.773 9.386 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.799 5.685 9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.894 4.755 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.257 4.446 11.809 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.485 7.930 12.832 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.269 6.348 12.885 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.410 5.226 8.260 1.00 0.00 N ATOM 1147 CA PRO A 71 0.021 5.209 7.936 1.00 0.00 C ATOM 1148 C PRO A 71 0.776 6.242 8.780 1.00 0.00 C ATOM 1149 O PRO A 71 1.858 5.986 9.298 1.00 0.00 O ATOM 1150 CB PRO A 71 0.094 5.489 6.427 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.189 6.264 6.134 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.195 5.659 7.109 1.00 0.00 C ATOM 0 HA PRO A 71 0.499 4.257 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.979 6.071 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.143 4.565 5.851 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.060 7.333 6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.507 6.139 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.948 6.391 7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.724 4.820 6.657 1.00 0.00 H new ATOM 1160 N LYS A 72 0.111 7.378 9.018 1.00 0.00 N ATOM 1161 CA LYS A 72 0.479 8.528 9.858 1.00 0.00 C ATOM 1162 C LYS A 72 0.443 8.263 11.382 1.00 0.00 C ATOM 1163 O LYS A 72 0.623 9.195 12.180 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.436 9.687 9.427 1.00 0.00 C ATOM 1165 CG LYS A 72 0.195 11.077 9.604 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.633 12.136 8.860 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.381 12.089 7.343 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.579 12.506 6.581 1.00 0.00 N ATOM 0 H LYS A 72 -0.797 7.533 8.580 1.00 0.00 H new ATOM 0 HA LYS A 72 1.530 8.770 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.707 9.553 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.360 9.642 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.250 11.327 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.217 11.071 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.693 11.976 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.384 13.127 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.456 12.740 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.097 11.078 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.288 12.885 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.203 11.686 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.089 13.241 7.111 1.00 0.00 H new ATOM 1182 N LYS A 73 0.212 7.017 11.809 1.00 0.00 N ATOM 1183 CA LYS A 73 0.522 6.495 13.154 1.00 0.00 C ATOM 1184 C LYS A 73 1.588 5.409 13.098 1.00 0.00 C ATOM 1185 O LYS A 73 2.579 5.513 13.808 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.752 5.989 13.863 1.00 0.00 C ATOM 1187 CG LYS A 73 -1.172 6.813 15.089 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.448 8.297 14.796 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.265 9.182 15.222 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.439 10.582 14.774 1.00 0.00 N ATOM 0 H LYS A 73 -0.213 6.312 11.206 1.00 0.00 H new ATOM 0 HA LYS A 73 0.925 7.320 13.741 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.573 5.984 13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.593 4.956 14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.069 6.368 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.388 6.744 15.843 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.639 8.430 13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.349 8.612 15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.164 9.157 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.659 8.779 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.156 11.208 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.159 10.664 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.436 10.858 14.878 1.00 0.00 H new ATOM 1204 N TYR A 74 1.390 4.407 12.244 1.00 0.00 N ATOM 1205 CA TYR A 74 2.259 3.237 12.081 1.00 0.00 C ATOM 1206 C TYR A 74 3.695 3.584 11.638 1.00 0.00 C ATOM 1207 O TYR A 74 4.663 2.937 12.043 1.00 0.00 O ATOM 1208 CB TYR A 74 1.569 2.326 11.061 1.00 0.00 C ATOM 1209 CG TYR A 74 1.924 0.860 11.170 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.466 0.126 12.282 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.643 0.211 10.149 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.742 -1.248 12.386 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.875 -1.175 10.227 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.436 -1.906 11.353 1.00 0.00 C ATOM 1215 OH TYR A 74 2.675 -3.239 11.464 1.00 0.00 O ATOM 0 H TYR A 74 0.585 4.385 11.618 1.00 0.00 H new ATOM 0 HA TYR A 74 2.387 2.746 13.046 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.490 2.432 11.173 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.821 2.672 10.059 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.901 0.621 13.058 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.016 0.775 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.422 -1.799 13.258 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.390 -1.681 9.424 1.00 0.00 H new ATOM 0 HH TYR A 74 2.704 -3.642 10.571 1.00 0.00 H new ATOM 1225 N ILE A 75 3.836 4.647 10.839 1.00 0.00 N ATOM 1226 CA ILE A 75 5.107 5.255 10.417 1.00 0.00 C ATOM 1227 C ILE A 75 5.004 6.789 10.605 1.00 0.00 C ATOM 1228 O ILE A 75 4.550 7.503 9.707 1.00 0.00 O ATOM 1229 CB ILE A 75 5.498 4.829 8.977 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.506 3.288 8.814 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.885 5.407 8.633 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.947 2.784 7.433 1.00 0.00 C ATOM 0 H ILE A 75 3.028 5.132 10.449 1.00 0.00 H new ATOM 0 HA ILE A 75 5.923 4.891 11.042 1.00 0.00 H new ATOM 0 HB ILE A 75 4.750 5.224 8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.167 2.861 9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.504 2.911 9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.163 5.109 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.851 6.495 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.623 5.026 9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.920 1.694 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.273 3.175 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.962 3.124 7.229 1.00 0.00 H new ATOM 1244 N PRO A 76 5.372 7.339 11.779 1.00 0.00 N ATOM 1245 CA PRO A 76 5.312 8.780 12.024 1.00 0.00 C ATOM 1246 C PRO A 76 6.290 9.522 11.099 1.00 0.00 C ATOM 1247 O PRO A 76 7.450 9.135 10.985 1.00 0.00 O ATOM 1248 CB PRO A 76 5.631 8.958 13.512 1.00 0.00 C ATOM 1249 CG PRO A 76 6.498 7.743 13.840 1.00 0.00 C ATOM 1250 CD PRO A 76 5.937 6.649 12.932 1.00 0.00 C ATOM 0 HA PRO A 76 4.334 9.206 11.801 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.161 9.892 13.700 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.725 8.979 14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.551 7.934 13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.423 7.469 14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.720 5.955 12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.176 6.064 13.449 1.00 0.00 H new ATOM 1258 N GLY A 77 5.810 10.552 10.396 1.00 0.00 N ATOM 1259 CA GLY A 77 6.614 11.273 9.399 1.00 0.00 C ATOM 1260 C GLY A 77 6.638 10.635 8.006 1.00 0.00 C ATOM 1261 O GLY A 77 7.304 11.167 7.119 1.00 0.00 O ATOM 0 H GLY A 77 4.860 10.909 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.230 12.289 9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.638 11.349 9.765 1.00 0.00 H new ATOM 1265 N THR A 78 5.918 9.527 7.783 1.00 0.00 N ATOM 1266 CA THR A 78 5.817 8.879 6.466 1.00 0.00 C ATOM 1267 C THR A 78 5.503 9.869 5.345 1.00 0.00 C ATOM 1268 O THR A 78 4.580 10.686 5.429 1.00 0.00 O ATOM 1269 CB THR A 78 4.802 7.727 6.450 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.762 7.148 5.161 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.368 8.124 6.806 1.00 0.00 C ATOM 0 H THR A 78 5.387 9.052 8.513 1.00 0.00 H new ATOM 0 HA THR A 78 6.806 8.460 6.279 1.00 0.00 H new ATOM 0 HB THR A 78 5.152 7.037 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.347 6.262 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.726 7.244 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.346 8.545 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.008 8.866 6.093 1.00 0.00 H new ATOM 1279 N LYS A 79 6.229 9.731 4.231 1.00 0.00 N ATOM 1280 CA LYS A 79 5.917 10.423 2.981 1.00 0.00 C ATOM 1281 C LYS A 79 4.543 10.041 2.419 1.00 0.00 C ATOM 1282 O LYS A 79 4.025 10.801 1.599 1.00 0.00 O ATOM 1283 CB LYS A 79 7.036 10.150 1.970 1.00 0.00 C ATOM 1284 CG LYS A 79 8.298 11.004 2.200 1.00 0.00 C ATOM 1285 CD LYS A 79 8.494 12.014 1.063 1.00 0.00 C ATOM 1286 CE LYS A 79 7.315 12.993 0.970 1.00 0.00 C ATOM 1287 NZ LYS A 79 7.189 13.533 -0.402 1.00 0.00 N ATOM 0 H LYS A 79 7.053 9.133 4.173 1.00 0.00 H new ATOM 0 HA LYS A 79 5.861 11.492 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.308 9.095 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.659 10.337 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.216 11.532 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.172 10.356 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.418 12.570 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.602 11.483 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.392 12.486 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.459 13.811 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.386 14.193 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.063 14.035 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.029 12.751 -1.069 1.00 0.00 H new ATOM 1301 N MET A 80 3.903 8.964 2.893 1.00 0.00 N ATOM 1302 CA MET A 80 2.481 8.691 2.691 1.00 0.00 C ATOM 1303 C MET A 80 1.599 9.698 3.455 1.00 0.00 C ATOM 1304 O MET A 80 0.935 9.389 4.447 1.00 0.00 O ATOM 1305 CB MET A 80 2.181 7.225 3.037 1.00 0.00 C ATOM 1306 CG MET A 80 0.745 6.862 2.658 1.00 0.00 C ATOM 1307 SD MET A 80 0.493 5.192 1.989 1.00 0.00 S ATOM 1308 CE MET A 80 -1.305 5.068 2.150 1.00 0.00 C ATOM 0 H MET A 80 4.374 8.244 3.440 1.00 0.00 H new ATOM 0 HA MET A 80 2.230 8.831 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.877 6.572 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.334 7.060 4.104 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.118 6.976 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.392 7.584 1.921 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.570 4.076 2.516 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.660 5.821 2.853 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.770 5.232 1.178 1.00 0.00 H new ATOM 1318 N ALA A 81 1.530 10.917 2.913 1.00 0.00 N ATOM 1319 CA ALA A 81 0.724 12.044 3.382 1.00 0.00 C ATOM 1320 C ALA A 81 -0.800 11.815 3.379 1.00 0.00 C ATOM 1321 O ALA A 81 -1.558 12.680 3.816 1.00 0.00 O ATOM 1322 CB ALA A 81 1.109 13.274 2.548 1.00 0.00 C ATOM 0 H ALA A 81 2.071 11.157 2.082 1.00 0.00 H new ATOM 0 HA ALA A 81 0.952 12.188 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.523 14.133 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.170 13.486 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.908 13.077 1.495 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.224 10.627 2.963 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.580 10.079 2.957 1.00 0.00 C ATOM 1330 C PHE A 82 -3.283 10.174 4.327 1.00 0.00 C ATOM 1331 O PHE A 82 -2.648 10.316 5.376 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.460 8.618 2.491 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.762 7.914 2.167 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.421 8.189 0.956 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.286 6.941 3.039 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.583 7.479 0.603 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.452 6.237 2.692 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.096 6.498 1.469 1.00 0.00 C ATOM 0 H PHE A 82 -0.560 9.953 2.582 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.207 10.665 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.825 8.591 1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.947 8.051 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.033 8.949 0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.791 6.735 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.080 7.688 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.854 5.495 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.983 5.946 1.196 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.617 10.078 4.318 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.457 10.148 5.518 1.00 0.00 C ATOM 1350 C GLY A 83 -5.691 8.779 6.151 1.00 0.00 C ATOM 1351 O GLY A 83 -5.095 8.455 7.174 1.00 0.00 O ATOM 0 H GLY A 83 -5.153 9.947 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.987 10.806 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.418 10.594 5.259 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.591 7.995 5.554 1.00 0.00 N ATOM 1356 CA GLY A 84 -7.033 6.705 6.085 1.00 0.00 C ATOM 1357 C GLY A 84 -8.467 6.376 5.664 1.00 0.00 C ATOM 1358 O GLY A 84 -9.388 7.170 5.866 1.00 0.00 O ATOM 0 H GLY A 84 -7.041 8.244 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.363 5.920 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.968 6.719 7.173 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.689 5.191 5.089 1.00 0.00 N ATOM 1363 CA LEU A 85 -10.028 4.689 4.788 1.00 0.00 C ATOM 1364 C LEU A 85 -10.584 4.023 6.050 1.00 0.00 C ATOM 1365 O LEU A 85 -10.421 2.820 6.244 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.977 3.727 3.591 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.486 4.362 2.277 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.376 3.284 1.201 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.432 5.452 1.770 1.00 0.00 C ATOM 0 H LEU A 85 -7.941 4.552 4.819 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.694 5.504 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.324 2.891 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.973 3.316 3.430 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.517 4.817 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.028 3.733 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.668 2.520 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.353 2.828 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.042 5.869 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.418 5.023 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.511 6.242 2.517 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.189 4.820 6.938 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.598 4.512 8.331 1.00 0.00 C ATOM 1383 C LYS A 86 -12.647 3.378 8.509 1.00 0.00 C ATOM 1384 O LYS A 86 -13.307 3.297 9.549 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.046 5.848 8.981 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.418 6.134 10.361 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.859 5.204 11.499 1.00 0.00 C ATOM 1388 CE LYS A 86 -13.351 5.380 11.826 1.00 0.00 C ATOM 1389 NZ LYS A 86 -14.001 4.083 12.123 1.00 0.00 N ATOM 0 H LYS A 86 -11.429 5.779 6.689 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.734 4.086 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.796 6.667 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.131 5.840 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.334 6.073 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.656 7.160 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.667 4.168 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.264 5.409 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.460 6.047 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.855 5.856 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.002 4.242 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.933 3.462 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.525 3.633 12.931 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.862 2.533 7.500 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.939 1.541 7.341 1.00 0.00 C ATOM 1405 C LYS A 87 -13.345 0.218 6.848 1.00 0.00 C ATOM 1406 O LYS A 87 -12.721 0.171 5.791 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.937 2.070 6.297 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.736 3.319 6.721 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.063 4.210 5.512 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.035 3.536 4.536 1.00 0.00 C ATOM 1411 NZ LYS A 87 -16.795 3.978 3.143 1.00 0.00 N ATOM 0 H LYS A 87 -12.232 2.520 6.698 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.441 1.377 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.392 2.301 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.641 1.274 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.661 3.013 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.162 3.890 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.495 5.148 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.141 4.460 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.925 2.453 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.061 3.770 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.279 3.333 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.163 4.942 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.774 3.969 2.947 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.530 -0.864 7.607 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.967 -2.177 7.258 1.00 0.00 C ATOM 1427 C GLU A 88 -13.473 -2.716 5.910 1.00 0.00 C ATOM 1428 O GLU A 88 -12.737 -3.404 5.217 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.245 -3.198 8.374 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.057 -4.155 8.528 1.00 0.00 C ATOM 1431 CD GLU A 88 -12.442 -5.423 9.296 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.368 -5.403 10.546 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.751 -6.459 8.671 1.00 0.00 O ATOM 0 H GLU A 88 -14.068 -0.860 8.473 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.892 -2.030 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.426 -2.678 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.148 -3.763 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.680 -4.428 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.246 -3.646 9.050 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.701 -2.372 5.499 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.294 -2.723 4.200 1.00 0.00 C ATOM 1442 C LYS A 89 -14.364 -2.332 3.049 1.00 0.00 C ATOM 1443 O LYS A 89 -13.900 -3.194 2.310 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.652 -2.022 4.069 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.731 -2.551 5.024 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.491 -3.783 4.503 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.552 -3.381 3.466 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.384 -4.534 3.030 1.00 0.00 N ATOM 0 H LYS A 89 -15.332 -1.822 6.082 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.436 -3.802 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.516 -0.956 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.006 -2.130 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.264 -2.803 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.447 -1.754 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.788 -4.485 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.969 -4.298 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.197 -2.611 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.060 -2.943 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.084 -4.212 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.775 -5.259 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.876 -4.938 3.852 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.063 -1.041 2.958 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.210 -0.377 1.988 1.00 0.00 C ATOM 1464 C ASP A 90 -11.820 -1.011 1.957 1.00 0.00 C ATOM 1465 O ASP A 90 -11.249 -1.244 0.892 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.066 1.106 2.386 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.361 1.902 2.590 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.316 1.408 3.228 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.403 3.091 2.194 1.00 0.00 O ATOM 0 H ASP A 90 -14.448 -0.373 3.626 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.663 -0.475 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.490 1.154 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.478 1.607 1.617 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.273 -1.312 3.141 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.996 -2.012 3.279 1.00 0.00 C ATOM 1476 C ARG A 91 -10.063 -3.451 2.772 1.00 0.00 C ATOM 1477 O ARG A 91 -9.172 -3.837 2.023 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.468 -1.927 4.728 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.515 -0.526 5.392 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.165 -0.037 5.952 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.433 0.972 5.148 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.330 1.147 3.850 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.884 0.354 2.986 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.665 2.151 3.354 1.00 0.00 N ATOM 0 H ARG A 91 -11.708 -1.075 4.033 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.277 -1.501 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.044 -2.618 5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.436 -2.276 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.873 0.197 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.244 -0.546 6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.340 0.381 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.517 -0.904 6.081 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.916 1.653 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.428 -0.447 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.775 0.532 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.212 2.820 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.597 2.268 2.343 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.086 -4.222 3.135 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.218 -5.620 2.709 1.00 0.00 C ATOM 1500 C ASN A 92 -11.424 -5.717 1.185 1.00 0.00 C ATOM 1501 O ASN A 92 -10.750 -6.519 0.535 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.337 -6.341 3.480 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.958 -6.786 4.889 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.190 -7.708 5.109 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.551 -6.174 5.883 1.00 0.00 N ATOM 0 H ASN A 92 -11.847 -3.899 3.732 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.285 -6.130 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.201 -5.679 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.647 -7.216 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.371 -6.468 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.193 -5.403 5.697 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.285 -4.877 0.587 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.398 -4.733 -0.878 1.00 0.00 C ATOM 1514 C ASP A 93 -11.024 -4.404 -1.500 1.00 0.00 C ATOM 1515 O ASP A 93 -10.572 -5.096 -2.418 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.444 -3.654 -1.268 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.839 -4.176 -1.667 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.948 -5.363 -2.056 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.794 -3.355 -1.711 1.00 0.00 O ATOM 0 H ASP A 93 -12.925 -4.276 1.106 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.743 -5.687 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.561 -2.970 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.044 -3.073 -2.099 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.326 -3.379 -0.987 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.017 -2.954 -1.490 1.00 0.00 C ATOM 1526 C LEU A 94 -7.959 -4.068 -1.413 1.00 0.00 C ATOM 1527 O LEU A 94 -7.276 -4.307 -2.404 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.583 -1.678 -0.749 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.305 -1.035 -1.303 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.503 -0.493 -2.717 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.889 0.122 -0.396 1.00 0.00 C ATOM 0 H LEU A 94 -10.661 -2.818 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.110 -2.730 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.393 -0.950 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.430 -1.916 0.304 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.536 -1.807 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.573 -0.047 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.789 -1.308 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.288 0.263 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.981 0.582 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.687 0.864 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.702 -0.253 0.610 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.841 -4.774 -0.281 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.994 -5.971 -0.139 1.00 0.00 C ATOM 1545 C ILE A 95 -7.375 -7.037 -1.174 1.00 0.00 C ATOM 1546 O ILE A 95 -6.487 -7.548 -1.859 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.068 -6.551 1.290 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.509 -5.568 2.343 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.288 -7.876 1.400 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.088 -5.843 3.737 1.00 0.00 C ATOM 0 H ILE A 95 -8.337 -4.528 0.576 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.964 -5.666 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.125 -6.727 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.423 -5.650 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.742 -4.545 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.360 -8.257 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.710 -8.605 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.241 -7.704 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.672 -5.132 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.172 -5.736 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.832 -6.857 4.044 1.00 0.00 H new ATOM 1562 N THR A 96 -8.669 -7.351 -1.329 1.00 0.00 N ATOM 1563 CA THR A 96 -9.168 -8.357 -2.291 1.00 0.00 C ATOM 1564 C THR A 96 -8.695 -8.069 -3.724 1.00 0.00 C ATOM 1565 O THR A 96 -8.393 -8.995 -4.474 1.00 0.00 O ATOM 1566 CB THR A 96 -10.708 -8.488 -2.258 1.00 0.00 C ATOM 1567 OG1 THR A 96 -11.188 -8.660 -0.943 1.00 0.00 O ATOM 1568 CG2 THR A 96 -11.201 -9.725 -3.011 1.00 0.00 C ATOM 0 H THR A 96 -9.411 -6.911 -0.785 1.00 0.00 H new ATOM 0 HA THR A 96 -8.742 -9.309 -1.974 1.00 0.00 H new ATOM 0 HB THR A 96 -11.071 -7.567 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.306 -7.784 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.289 -9.773 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.890 -9.664 -4.054 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.776 -10.620 -2.557 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.591 -6.794 -4.107 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.911 -6.376 -5.337 1.00 0.00 C ATOM 1578 C TYR A 97 -6.382 -6.513 -5.269 1.00 0.00 C ATOM 1579 O TYR A 97 -5.792 -7.230 -6.074 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.314 -4.937 -5.655 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.541 -4.292 -6.785 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.693 -4.770 -8.101 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.673 -3.216 -6.525 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -7.011 -4.146 -9.162 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.976 -2.601 -7.583 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.158 -3.054 -8.906 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.507 -2.443 -9.930 1.00 0.00 O ATOM 0 H TYR A 97 -8.978 -6.018 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.227 -7.047 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.375 -4.919 -5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.187 -4.333 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.334 -5.617 -8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.541 -2.861 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.141 -4.504 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.302 -1.782 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.154 -1.581 -9.625 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.733 -5.811 -4.335 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.280 -5.635 -4.297 1.00 0.00 C ATOM 1599 C LEU A 98 -3.495 -6.931 -4.087 1.00 0.00 C ATOM 1600 O LEU A 98 -2.360 -7.032 -4.540 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.943 -4.607 -3.207 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.355 -3.313 -3.796 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.477 -2.163 -2.799 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.876 -3.494 -4.142 1.00 0.00 C ATOM 0 H LEU A 98 -6.214 -5.340 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.969 -5.279 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.844 -4.371 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.231 -5.042 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.919 -3.083 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.055 -1.257 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.528 -1.997 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.935 -2.413 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.483 -2.566 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.320 -3.753 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.769 -4.293 -4.876 1.00 0.00 H new ATOM 1616 N LYS A 99 -4.106 -7.935 -3.454 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.599 -9.314 -3.455 1.00 0.00 C ATOM 1618 C LYS A 99 -3.482 -9.849 -4.889 1.00 0.00 C ATOM 1619 O LYS A 99 -2.397 -10.181 -5.344 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.482 -10.190 -2.548 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.909 -11.610 -2.398 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.627 -12.394 -1.293 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.886 -13.703 -0.986 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.431 -14.371 0.222 1.00 0.00 N ATOM 0 H LYS A 99 -4.969 -7.817 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.590 -9.339 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.568 -9.726 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.488 -10.245 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.004 -12.143 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.845 -11.551 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.689 -11.786 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.649 -12.613 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.965 -14.375 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.826 -13.496 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.737 -14.313 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.312 -13.900 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.627 -15.370 0.008 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.577 -9.833 -5.651 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.664 -10.328 -7.044 1.00 0.00 C ATOM 1640 C LYS A 100 -3.907 -9.474 -8.075 1.00 0.00 C ATOM 1641 O LYS A 100 -3.771 -9.854 -9.231 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.148 -10.468 -7.407 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.486 -11.536 -8.468 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.074 -12.977 -8.102 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.714 -13.340 -8.709 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.197 -14.640 -8.224 1.00 0.00 N ATOM 0 H LYS A 100 -5.465 -9.463 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.160 -11.294 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.704 -10.698 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.507 -9.503 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.561 -11.517 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.999 -11.262 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.030 -13.080 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.831 -13.675 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.803 -13.372 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.994 -12.557 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.328 -14.883 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.988 -14.573 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.912 -15.379 -8.382 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.408 -8.324 -7.636 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.441 -7.484 -8.338 1.00 0.00 C ATOM 1662 C ALA A 101 -0.976 -7.947 -8.182 1.00 0.00 C ATOM 1663 O ALA A 101 -0.115 -7.403 -8.866 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.601 -6.031 -7.877 1.00 0.00 C ATOM 0 H ALA A 101 -3.680 -7.931 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.661 -7.572 -9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.880 -5.402 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.611 -5.688 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.425 -5.969 -6.803 1.00 0.00 H new ATOM 1670 N THR A 102 -0.676 -8.914 -7.305 1.00 0.00 N ATOM 1671 CA THR A 102 0.681 -9.441 -7.055 1.00 0.00 C ATOM 1672 C THR A 102 0.791 -10.976 -7.063 1.00 0.00 C ATOM 1673 O THR A 102 1.909 -11.484 -6.969 1.00 0.00 O ATOM 1674 CB THR A 102 1.252 -8.870 -5.746 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.629 -9.144 -5.661 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.608 -9.424 -4.477 1.00 0.00 C ATOM 0 H THR A 102 -1.387 -9.367 -6.731 1.00 0.00 H new ATOM 0 HA THR A 102 1.277 -9.104 -7.903 1.00 0.00 H new ATOM 0 HB THR A 102 1.038 -7.802 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.822 -9.991 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.072 -8.966 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.458 -9.198 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.750 -10.504 -4.439 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.326 -11.706 -7.158 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.403 -13.186 -7.246 1.00 0.00 C ATOM 1686 C GLU A 103 -1.308 -13.665 -8.394 1.00 0.00 C ATOM 1687 O GLU A 103 -1.899 -12.806 -9.084 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.834 -13.796 -5.887 1.00 0.00 C ATOM 1689 CG GLU A 103 -2.201 -13.308 -5.362 1.00 0.00 C ATOM 1690 CD GLU A 103 -3.133 -14.415 -4.829 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.912 -14.924 -3.706 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.151 -14.690 -5.516 1.00 0.00 O ATOM 1693 OXT GLU A 103 -1.509 -14.893 -8.528 1.00 0.00 O ATOM 0 H GLU A 103 -1.248 -11.270 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 103 0.599 -13.546 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.865 -14.881 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.072 -13.565 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.029 -12.585 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.713 -12.780 -6.166 1.00 0.00 H new