USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 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 41 LYS NZ :NH3+ -109:sc= 0.538 (180deg=0) USER MOD Set 1.2: A 45 SER OG : rot 82:sc= 0.869 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 140:sc= 2.27 (180deg=-0.271) USER MOD Set 2.2: A 54 THR OG1 : rot 140:sc= 1.05 USER MOD Single : A 16 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 20 ASN : amide:sc= -0.862 X(o=-0.86,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 176:sc= -0.32 (180deg=-0.339) USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= 0.0416 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.598 K(o=0.6,f=-2!) USER MOD Single : A 35 SER OG : rot -29:sc= 0.172 USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.00385 USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.225) USER MOD Single : A 47 SER OG : rot 64:sc= 0.727 USER MOD Single : A 57 ASN : amide:sc= 1.15 K(o=1.2,f=-0.03) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.723 K(o=0.72,f=-0.5) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -155:sc= -0.968 (180deg=-2.1!) USER MOD Single : A 69 ASN : amide:sc= -0.765 K(o=-0.77,f=-0.025) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= 0.182 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-10!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= 1.31 (180deg=1.2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.796 6.450 7.095 1.00 0.00 N ATOM 112 CA LYS A 9 10.690 7.814 6.545 1.00 0.00 C ATOM 113 C LYS A 9 9.543 7.913 5.540 1.00 0.00 C ATOM 114 O LYS A 9 9.359 7.024 4.717 1.00 0.00 O ATOM 115 CB LYS A 9 12.049 8.272 5.982 1.00 0.00 C ATOM 116 CG LYS A 9 12.087 9.787 5.701 1.00 0.00 C ATOM 117 CD LYS A 9 13.522 10.276 5.442 1.00 0.00 C ATOM 118 CE LYS A 9 13.666 11.806 5.345 1.00 0.00 C ATOM 119 NZ LYS A 9 13.227 12.502 6.585 1.00 0.00 N ATOM 0 HA LYS A 9 10.439 8.508 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.837 8.016 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.259 7.729 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.463 10.014 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.665 10.326 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.166 9.913 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.883 9.830 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.707 12.057 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.079 12.170 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.878 13.286 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.266 12.876 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.230 11.831 7.379 1.00 0.00 H new ATOM 133 N LEU A 10 8.766 8.985 5.659 1.00 0.00 N ATOM 134 CA LEU A 10 7.480 9.113 4.961 1.00 0.00 C ATOM 135 C LEU A 10 7.410 10.316 4.030 1.00 0.00 C ATOM 136 O LEU A 10 7.877 11.380 4.411 1.00 0.00 O ATOM 137 CB LEU A 10 6.361 9.274 6.002 1.00 0.00 C ATOM 138 CG LEU A 10 5.582 7.999 6.238 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.353 6.925 6.945 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.247 8.229 6.955 1.00 0.00 C ATOM 0 H LEU A 10 9.004 9.790 6.239 1.00 0.00 H new ATOM 0 HA LEU A 10 7.367 8.212 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.795 9.607 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.676 10.055 5.673 1.00 0.00 H new ATOM 0 HG LEU A 10 5.378 7.643 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.720 6.047 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.229 6.657 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.671 7.289 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.739 7.275 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.430 8.686 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.621 8.890 6.355 1.00 0.00 H new ATOM 152 N PHE A 11 6.752 10.165 2.882 1.00 0.00 N ATOM 153 CA PHE A 11 6.486 11.223 1.905 1.00 0.00 C ATOM 154 C PHE A 11 5.009 11.637 2.033 1.00 0.00 C ATOM 155 O PHE A 11 4.110 10.799 1.870 1.00 0.00 O ATOM 156 CB PHE A 11 6.750 10.657 0.493 1.00 0.00 C ATOM 157 CG PHE A 11 6.293 11.452 -0.731 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.077 12.849 -0.718 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.089 10.748 -1.936 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.624 13.510 -1.873 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.665 11.418 -3.099 1.00 0.00 C ATOM 162 CZ PHE A 11 5.430 12.798 -3.065 1.00 0.00 C ATOM 0 H PHE A 11 6.373 9.263 2.593 1.00 0.00 H new ATOM 0 HA PHE A 11 7.126 12.088 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.825 10.500 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.279 9.676 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.261 13.412 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.260 9.682 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.425 14.571 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.521 10.868 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.100 13.313 -3.955 1.00 0.00 H new ATOM 172 N ILE A 12 4.805 12.937 2.323 1.00 0.00 N ATOM 173 CA ILE A 12 3.484 13.542 2.261 1.00 0.00 C ATOM 174 C ILE A 12 3.510 14.423 1.031 1.00 0.00 C ATOM 175 O ILE A 12 4.418 15.244 0.817 1.00 0.00 O ATOM 176 CB ILE A 12 3.125 14.354 3.528 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.297 13.495 4.493 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.258 15.612 3.285 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.841 12.102 4.805 1.00 0.00 C ATOM 0 H ILE A 12 5.547 13.579 2.602 1.00 0.00 H new ATOM 0 HA ILE A 12 2.713 12.774 2.207 1.00 0.00 H new ATOM 0 HB ILE A 12 4.097 14.658 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.195 14.039 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.295 13.385 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.063 16.109 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.786 16.295 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.313 15.320 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.168 11.595 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.915 11.525 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.828 12.190 5.258 1.00 0.00 H new ATOM 191 N GLY A 13 2.463 14.223 0.248 1.00 0.00 N ATOM 192 CA GLY A 13 2.242 14.891 -0.998 1.00 0.00 C ATOM 193 C GLY A 13 1.052 15.811 -0.881 1.00 0.00 C ATOM 194 O GLY A 13 -0.069 15.395 -0.592 1.00 0.00 O ATOM 0 H GLY A 13 1.722 13.563 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.128 15.461 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.071 14.160 -1.788 1.00 0.00 H new ATOM 198 N GLY A 14 1.391 17.068 -1.128 1.00 0.00 N ATOM 199 CA GLY A 14 0.425 18.139 -1.212 1.00 0.00 C ATOM 200 C GLY A 14 1.138 19.432 -1.149 1.00 0.00 C ATOM 201 O GLY A 14 1.696 19.825 -2.169 1.00 0.00 O ATOM 0 H GLY A 14 2.354 17.370 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.140 18.065 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.293 18.064 -0.395 1.00 0.00 H new ATOM 205 N LEU A 15 1.163 19.994 0.046 1.00 0.00 N ATOM 206 CA LEU A 15 1.934 21.210 0.333 1.00 0.00 C ATOM 207 C LEU A 15 1.592 22.478 -0.391 1.00 0.00 C ATOM 208 O LEU A 15 1.731 23.534 0.202 1.00 0.00 O ATOM 209 CB LEU A 15 3.412 20.937 0.040 1.00 0.00 C ATOM 210 CG LEU A 15 4.094 19.863 0.876 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.686 19.989 2.316 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.652 18.484 0.421 1.00 0.00 C ATOM 0 H LEU A 15 0.653 19.628 0.850 1.00 0.00 H new ATOM 0 HA LEU A 15 1.680 21.403 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.504 20.659 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.962 21.869 0.172 1.00 0.00 H new ATOM 0 HG LEU A 15 5.170 19.990 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.180 19.215 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.976 20.970 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.605 19.873 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.147 17.725 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.572 18.392 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.919 18.343 -0.626 1.00 0.00 H new ATOM 224 N ASN A 16 1.029 22.329 -1.572 1.00 0.00 N ATOM 225 CA ASN A 16 0.333 23.216 -2.452 1.00 0.00 C ATOM 226 C ASN A 16 0.791 24.684 -2.441 1.00 0.00 C ATOM 227 O ASN A 16 0.012 25.599 -2.714 1.00 0.00 O ATOM 228 CB ASN A 16 -1.099 22.963 -2.008 1.00 0.00 C ATOM 229 CG ASN A 16 -2.184 23.632 -2.828 1.00 0.00 C ATOM 230 OD1 ASN A 16 -2.185 23.587 -4.051 1.00 0.00 O ATOM 231 ND2 ASN A 16 -3.165 24.223 -2.186 1.00 0.00 N ATOM 0 H ASN A 16 1.065 21.405 -2.002 1.00 0.00 H new ATOM 0 HA ASN A 16 0.515 23.022 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.276 21.887 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.200 23.292 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.933 24.647 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.159 24.258 -1.167 1.00 0.00 H new ATOM 238 N ARG A 17 2.070 24.900 -2.107 1.00 0.00 N ATOM 239 CA ARG A 17 2.655 26.193 -1.748 1.00 0.00 C ATOM 240 C ARG A 17 1.809 26.924 -0.672 1.00 0.00 C ATOM 241 O ARG A 17 1.770 28.154 -0.632 1.00 0.00 O ATOM 242 CB ARG A 17 2.951 27.002 -3.027 1.00 0.00 C ATOM 243 CG ARG A 17 3.774 26.291 -4.120 1.00 0.00 C ATOM 244 CD ARG A 17 3.129 25.147 -4.943 1.00 0.00 C ATOM 245 NE ARG A 17 1.740 25.430 -5.348 1.00 0.00 N ATOM 246 CZ ARG A 17 0.857 24.584 -5.845 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.078 23.304 -5.963 1.00 0.00 N ATOM 248 NH2 ARG A 17 -0.306 25.023 -6.226 1.00 0.00 N ATOM 0 H ARG A 17 2.753 24.143 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 17 3.619 26.049 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.000 27.310 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.479 27.911 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.106 27.053 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.667 25.886 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.730 24.967 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.149 24.230 -4.354 1.00 0.00 H new ATOM 0 HE ARG A 17 1.424 26.393 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.970 22.911 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.359 22.696 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.530 26.014 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.994 24.376 -6.611 1.00 0.00 H new ATOM 262 N GLU A 18 1.121 26.167 0.198 1.00 0.00 N ATOM 263 CA GLU A 18 0.106 26.578 1.137 1.00 0.00 C ATOM 264 C GLU A 18 0.464 26.187 2.591 1.00 0.00 C ATOM 265 O GLU A 18 0.467 27.083 3.438 1.00 0.00 O ATOM 266 CB GLU A 18 -1.110 25.830 0.641 1.00 0.00 C ATOM 267 CG GLU A 18 -2.392 26.206 1.331 1.00 0.00 C ATOM 268 CD GLU A 18 -2.990 27.529 0.816 1.00 0.00 C ATOM 269 OE1 GLU A 18 -2.593 28.610 1.314 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.862 27.499 -0.084 1.00 0.00 O ATOM 0 H GLU A 18 1.289 25.162 0.254 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.030 27.659 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.221 26.009 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.942 24.761 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.120 25.407 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.210 26.289 2.402 1.00 0.00 H new ATOM 277 N THR A 19 0.822 24.916 2.903 1.00 0.00 N ATOM 278 CA THR A 19 1.269 24.560 4.286 1.00 0.00 C ATOM 279 C THR A 19 2.670 23.911 4.426 1.00 0.00 C ATOM 280 O THR A 19 3.375 23.763 3.427 1.00 0.00 O ATOM 281 CB THR A 19 0.160 23.781 4.977 1.00 0.00 C ATOM 282 OG1 THR A 19 0.264 23.908 6.378 1.00 0.00 O ATOM 283 CG2 THR A 19 0.228 22.310 4.626 1.00 0.00 C ATOM 0 H THR A 19 0.814 24.138 2.243 1.00 0.00 H new ATOM 0 HA THR A 19 1.438 25.504 4.804 1.00 0.00 H new ATOM 0 HB THR A 19 -0.788 24.194 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.458 23.402 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.576 21.777 5.134 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.121 22.188 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.189 21.904 4.943 1.00 0.00 H new ATOM 291 N ASN A 20 3.087 23.542 5.662 1.00 0.00 N ATOM 292 CA ASN A 20 4.513 23.209 5.950 1.00 0.00 C ATOM 293 C ASN A 20 4.737 22.367 7.242 1.00 0.00 C ATOM 294 O ASN A 20 3.859 21.593 7.598 1.00 0.00 O ATOM 295 CB ASN A 20 5.340 24.533 6.019 1.00 0.00 C ATOM 296 CG ASN A 20 5.452 25.354 4.743 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.194 25.026 3.829 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.789 26.489 4.674 1.00 0.00 N ATOM 0 H ASN A 20 2.468 23.467 6.470 1.00 0.00 H new ATOM 0 HA ASN A 20 4.852 22.572 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.900 25.166 6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.348 24.284 6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.895 27.093 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.169 26.765 5.436 1.00 0.00 H new ATOM 305 N GLU A 21 5.873 22.523 7.960 1.00 0.00 N ATOM 306 CA GLU A 21 6.149 21.781 9.235 1.00 0.00 C ATOM 307 C GLU A 21 4.960 21.605 10.213 1.00 0.00 C ATOM 308 O GLU A 21 4.894 20.645 10.992 1.00 0.00 O ATOM 309 CB GLU A 21 7.291 22.531 9.955 1.00 0.00 C ATOM 310 CG GLU A 21 7.567 22.106 11.407 1.00 0.00 C ATOM 311 CD GLU A 21 8.801 22.837 11.967 1.00 0.00 C ATOM 312 OE1 GLU A 21 8.657 23.984 12.458 1.00 0.00 O ATOM 313 OE2 GLU A 21 9.920 22.271 11.927 1.00 0.00 O ATOM 0 H GLU A 21 6.623 23.157 7.685 1.00 0.00 H new ATOM 0 HA GLU A 21 6.398 20.761 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.206 22.398 9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.061 23.596 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.697 22.325 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.726 21.029 11.451 1.00 0.00 H new ATOM 320 N LYS A 22 4.068 22.593 10.098 1.00 0.00 N ATOM 321 CA LYS A 22 2.898 22.637 10.981 1.00 0.00 C ATOM 322 C LYS A 22 2.090 21.394 10.716 1.00 0.00 C ATOM 323 O LYS A 22 1.878 20.535 11.576 1.00 0.00 O ATOM 324 CB LYS A 22 2.155 23.931 10.608 1.00 0.00 C ATOM 325 CG LYS A 22 0.868 24.063 11.415 1.00 0.00 C ATOM 326 CD LYS A 22 1.068 24.614 12.829 1.00 0.00 C ATOM 327 CE LYS A 22 1.514 26.078 12.840 1.00 0.00 C ATOM 328 NZ LYS A 22 0.410 27.025 12.526 1.00 0.00 N ATOM 0 H LYS A 22 4.129 23.354 9.422 1.00 0.00 H new ATOM 0 HA LYS A 22 3.129 22.652 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.797 24.792 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.924 23.930 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.180 24.715 10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.393 23.084 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.136 24.519 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.812 24.009 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.925 26.320 13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.318 26.213 12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.772 28.000 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.033 26.817 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.348 26.921 13.231 1.00 0.00 H new ATOM 342 N MET A 23 1.719 21.348 9.432 1.00 0.00 N ATOM 343 CA MET A 23 1.044 20.214 8.893 1.00 0.00 C ATOM 344 C MET A 23 1.893 18.963 9.161 1.00 0.00 C ATOM 345 O MET A 23 1.320 17.919 9.370 1.00 0.00 O ATOM 346 CB MET A 23 0.778 20.458 7.388 1.00 0.00 C ATOM 347 CG MET A 23 1.690 19.593 6.517 1.00 0.00 C ATOM 348 SD MET A 23 1.527 19.333 4.741 1.00 0.00 S ATOM 349 CE MET A 23 -0.197 18.847 4.620 1.00 0.00 C ATOM 0 H MET A 23 1.886 22.099 8.762 1.00 0.00 H new ATOM 0 HA MET A 23 0.076 20.057 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.264 20.236 7.160 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.938 21.510 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.696 19.985 6.666 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.666 18.599 6.963 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.467 18.721 3.571 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.348 17.906 5.149 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.825 19.619 5.066 1.00 0.00 H new ATOM 359 N LEU A 24 3.221 18.988 8.968 1.00 0.00 N ATOM 360 CA LEU A 24 4.027 17.770 9.078 1.00 0.00 C ATOM 361 C LEU A 24 3.841 17.086 10.430 1.00 0.00 C ATOM 362 O LEU A 24 3.247 16.007 10.513 1.00 0.00 O ATOM 363 CB LEU A 24 5.500 18.023 8.751 1.00 0.00 C ATOM 364 CG LEU A 24 5.830 17.896 7.261 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.686 19.218 6.539 1.00 0.00 C ATOM 366 CD2 LEU A 24 7.251 17.399 7.083 1.00 0.00 C ATOM 0 H LEU A 24 3.751 19.829 8.738 1.00 0.00 H new ATOM 0 HA LEU A 24 3.659 17.075 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.772 19.022 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.114 17.318 9.312 1.00 0.00 H new ATOM 0 HG LEU A 24 5.122 17.186 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.929 19.085 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.660 19.574 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.365 19.949 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.476 17.312 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.943 18.104 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.357 16.423 7.557 1.00 0.00 H new ATOM 378 N LYS A 25 4.294 17.728 11.511 1.00 0.00 N ATOM 379 CA LYS A 25 4.122 17.177 12.856 1.00 0.00 C ATOM 380 C LYS A 25 2.668 16.877 13.160 1.00 0.00 C ATOM 381 O LYS A 25 2.407 15.840 13.760 1.00 0.00 O ATOM 382 CB LYS A 25 4.703 18.106 13.904 1.00 0.00 C ATOM 383 CG LYS A 25 6.241 18.168 13.755 1.00 0.00 C ATOM 384 CD LYS A 25 7.000 17.778 15.028 1.00 0.00 C ATOM 385 CE LYS A 25 7.109 16.253 15.210 1.00 0.00 C ATOM 386 NZ LYS A 25 7.675 15.892 16.539 1.00 0.00 N ATOM 0 H LYS A 25 4.780 18.624 11.481 1.00 0.00 H new ATOM 0 HA LYS A 25 4.669 16.234 12.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.277 19.104 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.439 17.754 14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.545 17.506 12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.529 19.179 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.001 18.209 14.996 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.496 18.208 15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.122 15.803 15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.738 15.837 14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.356 15.114 16.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.157 16.718 16.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.908 15.591 17.173 1.00 0.00 H new ATOM 400 N ALA A 26 1.739 17.707 12.683 1.00 0.00 N ATOM 401 CA ALA A 26 0.324 17.392 12.753 1.00 0.00 C ATOM 402 C ALA A 26 -0.017 16.007 12.120 1.00 0.00 C ATOM 403 O ALA A 26 -0.205 14.981 12.786 1.00 0.00 O ATOM 404 CB ALA A 26 -0.412 18.566 12.063 1.00 0.00 C ATOM 0 H ALA A 26 1.949 18.603 12.244 1.00 0.00 H new ATOM 0 HA ALA A 26 0.000 17.291 13.789 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.487 18.385 12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.190 19.494 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.078 18.647 11.028 1.00 0.00 H new ATOM 410 N VAL A 27 -0.009 16.024 10.787 1.00 0.00 N ATOM 411 CA VAL A 27 -0.481 14.906 9.957 1.00 0.00 C ATOM 412 C VAL A 27 0.143 13.596 10.350 1.00 0.00 C ATOM 413 O VAL A 27 -0.534 12.612 10.618 1.00 0.00 O ATOM 414 CB VAL A 27 -0.096 15.237 8.487 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.065 14.132 7.454 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.053 16.237 7.927 1.00 0.00 C ATOM 0 H VAL A 27 0.328 16.819 10.244 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.557 14.795 10.087 1.00 0.00 H new ATOM 0 HB VAL A 27 0.926 15.589 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.335 14.569 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.850 13.446 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.874 13.588 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.779 16.466 6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.063 15.828 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.017 17.149 8.523 1.00 0.00 H new ATOM 426 N PHE A 28 1.462 13.587 10.307 1.00 0.00 N ATOM 427 CA PHE A 28 2.267 12.460 10.691 1.00 0.00 C ATOM 428 C PHE A 28 2.189 12.109 12.170 1.00 0.00 C ATOM 429 O PHE A 28 1.934 10.960 12.533 1.00 0.00 O ATOM 430 CB PHE A 28 3.685 12.753 10.215 1.00 0.00 C ATOM 431 CG PHE A 28 3.969 12.964 8.726 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.629 14.174 8.090 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.806 12.067 8.042 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.235 14.556 6.885 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.425 12.459 6.841 1.00 0.00 C ATOM 436 CZ PHE A 28 5.192 13.726 6.293 1.00 0.00 C ATOM 0 H PHE A 28 2.010 14.388 9.995 1.00 0.00 H new ATOM 0 HA PHE A 28 1.881 11.558 10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.023 13.647 10.738 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.315 11.929 10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.888 14.819 8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.974 11.076 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.963 15.490 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.089 11.773 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.743 14.058 5.426 1.00 0.00 H new ATOM 446 N GLY A 29 2.438 13.094 13.035 1.00 0.00 N ATOM 447 CA GLY A 29 2.318 12.878 14.469 1.00 0.00 C ATOM 448 C GLY A 29 0.977 12.364 14.943 1.00 0.00 C ATOM 449 O GLY A 29 0.895 11.918 16.091 1.00 0.00 O ATOM 0 H GLY A 29 2.720 14.037 12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.088 12.170 14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.527 13.819 14.979 1.00 0.00 H new ATOM 453 N LYS A 30 -0.072 12.425 14.105 1.00 0.00 N ATOM 454 CA LYS A 30 -1.386 11.855 14.469 1.00 0.00 C ATOM 455 C LYS A 30 -1.283 10.441 15.044 1.00 0.00 C ATOM 456 O LYS A 30 -1.979 10.082 15.997 1.00 0.00 O ATOM 457 CB LYS A 30 -2.338 11.814 13.279 1.00 0.00 C ATOM 458 CG LYS A 30 -3.001 13.176 13.245 1.00 0.00 C ATOM 459 CD LYS A 30 -3.887 13.465 12.040 1.00 0.00 C ATOM 460 CE LYS A 30 -4.359 14.913 12.176 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.531 15.050 13.085 1.00 0.00 N ATOM 0 H LYS A 30 -0.040 12.857 13.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.778 12.522 15.237 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.800 11.616 12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.076 11.021 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.603 13.286 14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.222 13.937 13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.334 13.324 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.736 12.782 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.539 15.525 12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.620 15.300 11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.811 16.050 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.325 14.489 12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.277 14.707 14.033 1.00 0.00 H new ATOM 475 N HIS A 31 -0.378 9.681 14.432 1.00 0.00 N ATOM 476 CA HIS A 31 -0.117 8.290 14.834 1.00 0.00 C ATOM 477 C HIS A 31 1.373 7.898 15.022 1.00 0.00 C ATOM 478 O HIS A 31 1.684 6.706 14.995 1.00 0.00 O ATOM 479 CB HIS A 31 -0.900 7.356 13.881 1.00 0.00 C ATOM 480 CG HIS A 31 -2.160 6.781 14.482 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.017 7.413 15.356 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.683 5.541 14.236 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.031 6.575 15.633 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.868 5.411 14.977 1.00 0.00 N ATOM 0 H HIS A 31 0.193 10.002 13.650 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.484 8.172 15.854 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.160 7.910 12.979 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.249 6.537 13.576 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.902 8.355 15.729 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.258 4.792 13.585 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.858 6.803 16.288 1.00 0.00 H new ATOM 492 N GLY A 32 2.321 8.815 15.281 1.00 0.00 N ATOM 493 CA GLY A 32 3.671 8.425 15.678 1.00 0.00 C ATOM 494 C GLY A 32 4.487 9.507 16.404 1.00 0.00 C ATOM 495 O GLY A 32 3.999 10.618 16.625 1.00 0.00 O ATOM 0 H GLY A 32 2.172 9.822 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.602 7.551 16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.219 8.119 14.787 1.00 0.00 H new ATOM 499 N PRO A 33 5.734 9.174 16.782 1.00 0.00 N ATOM 500 CA PRO A 33 6.660 10.032 17.510 1.00 0.00 C ATOM 501 C PRO A 33 7.236 11.200 16.684 1.00 0.00 C ATOM 502 O PRO A 33 6.909 12.354 16.963 1.00 0.00 O ATOM 503 CB PRO A 33 7.766 9.079 18.009 1.00 0.00 C ATOM 504 CG PRO A 33 7.738 7.903 17.027 1.00 0.00 C ATOM 505 CD PRO A 33 6.259 7.831 16.668 1.00 0.00 C ATOM 0 HA PRO A 33 6.142 10.544 18.321 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.740 9.569 18.012 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.573 8.748 19.029 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.362 8.086 16.152 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.093 6.980 17.485 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.125 7.449 15.656 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.731 7.152 17.338 1.00 0.00 H new ATOM 513 N ILE A 34 8.143 10.899 15.732 1.00 0.00 N ATOM 514 CA ILE A 34 8.693 11.910 14.802 1.00 0.00 C ATOM 515 C ILE A 34 9.964 12.578 15.356 1.00 0.00 C ATOM 516 O ILE A 34 9.874 13.410 16.261 1.00 0.00 O ATOM 517 CB ILE A 34 7.703 12.858 14.089 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.702 12.151 13.169 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.539 13.810 13.216 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.523 11.605 13.954 1.00 0.00 C ATOM 0 H ILE A 34 8.512 9.959 15.586 1.00 0.00 H new ATOM 0 HA ILE A 34 8.998 11.315 13.941 1.00 0.00 H new ATOM 0 HB ILE A 34 7.121 13.358 14.863 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.345 12.849 12.411 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.200 11.337 12.643 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.877 14.499 12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.225 14.375 13.847 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.108 13.231 12.489 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.831 11.109 13.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.879 10.889 14.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.011 12.424 14.459 1.00 0.00 H new ATOM 532 N SER A 35 11.137 12.208 14.831 1.00 0.00 N ATOM 533 CA SER A 35 12.434 12.784 15.213 1.00 0.00 C ATOM 534 C SER A 35 13.101 13.548 14.057 1.00 0.00 C ATOM 535 O SER A 35 14.112 14.219 14.276 1.00 0.00 O ATOM 536 CB SER A 35 13.326 11.650 15.716 1.00 0.00 C ATOM 537 OG SER A 35 14.531 12.113 16.307 1.00 0.00 O ATOM 0 H SER A 35 11.215 11.486 14.115 1.00 0.00 H new ATOM 0 HA SER A 35 12.278 13.520 16.001 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.774 11.057 16.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.567 10.988 14.884 1.00 0.00 H new ATOM 0 HG SER A 35 14.789 12.965 15.898 1.00 0.00 H new ATOM 543 N GLU A 36 12.549 13.510 12.834 1.00 0.00 N ATOM 544 CA GLU A 36 13.120 14.260 11.697 1.00 0.00 C ATOM 545 C GLU A 36 12.032 14.861 10.798 1.00 0.00 C ATOM 546 O GLU A 36 11.078 14.161 10.466 1.00 0.00 O ATOM 547 CB GLU A 36 14.052 13.326 10.904 1.00 0.00 C ATOM 548 CG GLU A 36 15.291 13.988 10.303 1.00 0.00 C ATOM 549 CD GLU A 36 14.960 14.930 9.132 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.497 14.442 8.071 1.00 0.00 O ATOM 551 OE2 GLU A 36 15.167 16.157 9.279 1.00 0.00 O ATOM 0 H GLU A 36 11.713 12.972 12.605 1.00 0.00 H new ATOM 0 HA GLU A 36 13.692 15.103 12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.376 12.520 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.479 12.868 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.809 14.551 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.978 13.215 9.958 1.00 0.00 H new ATOM 558 N VAL A 37 12.166 16.132 10.394 1.00 0.00 N ATOM 559 CA VAL A 37 11.119 16.919 9.707 1.00 0.00 C ATOM 560 C VAL A 37 11.711 17.685 8.513 1.00 0.00 C ATOM 561 O VAL A 37 12.620 18.503 8.674 1.00 0.00 O ATOM 562 CB VAL A 37 10.423 17.891 10.688 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.201 18.545 10.034 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.923 17.206 11.971 1.00 0.00 C ATOM 0 H VAL A 37 13.027 16.660 10.537 1.00 0.00 H new ATOM 0 HA VAL A 37 10.368 16.224 9.331 1.00 0.00 H new ATOM 0 HB VAL A 37 11.186 18.625 10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.728 19.224 10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.515 19.103 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.489 17.774 9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.445 17.944 12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.203 16.430 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.766 16.758 12.496 1.00 0.00 H new ATOM 574 N LEU A 38 11.183 17.419 7.313 1.00 0.00 N ATOM 575 CA LEU A 38 11.729 17.824 6.010 1.00 0.00 C ATOM 576 C LEU A 38 10.677 18.390 5.035 1.00 0.00 C ATOM 577 O LEU A 38 9.600 17.827 4.876 1.00 0.00 O ATOM 578 CB LEU A 38 12.406 16.609 5.371 1.00 0.00 C ATOM 579 CG LEU A 38 13.263 16.912 4.138 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.492 17.738 4.451 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.838 15.620 3.598 1.00 0.00 C ATOM 0 H LEU A 38 10.318 16.887 7.218 1.00 0.00 H new ATOM 0 HA LEU A 38 12.434 18.634 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.034 16.127 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.636 15.890 5.091 1.00 0.00 H new ATOM 0 HG LEU A 38 12.601 17.441 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.054 17.916 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.189 18.692 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.120 17.201 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.448 15.832 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.454 15.148 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.026 14.948 3.321 1.00 0.00 H new ATOM 593 N LEU A 39 11.001 19.488 4.356 1.00 0.00 N ATOM 594 CA LEU A 39 10.254 20.073 3.236 1.00 0.00 C ATOM 595 C LEU A 39 11.205 20.185 2.026 1.00 0.00 C ATOM 596 O LEU A 39 12.349 20.616 2.205 1.00 0.00 O ATOM 597 CB LEU A 39 9.723 21.456 3.680 1.00 0.00 C ATOM 598 CG LEU A 39 8.310 21.836 3.213 1.00 0.00 C ATOM 599 CD1 LEU A 39 8.096 21.751 1.702 1.00 0.00 C ATOM 600 CD2 LEU A 39 7.289 20.948 3.911 1.00 0.00 C ATOM 0 H LEU A 39 11.838 20.026 4.582 1.00 0.00 H new ATOM 0 HA LEU A 39 9.404 19.455 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.743 21.494 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.416 22.217 3.322 1.00 0.00 H new ATOM 0 HG LEU A 39 8.181 22.885 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.072 22.036 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.788 22.426 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.276 20.730 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.286 21.217 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.485 19.905 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.364 21.086 4.990 1.00 0.00 H new ATOM 612 N ILE A 40 10.771 19.802 0.819 1.00 0.00 N ATOM 613 CA ILE A 40 11.687 19.667 -0.327 1.00 0.00 C ATOM 614 C ILE A 40 11.409 20.778 -1.345 1.00 0.00 C ATOM 615 O ILE A 40 10.230 20.962 -1.682 1.00 0.00 O ATOM 616 CB ILE A 40 11.492 18.283 -0.976 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.656 17.096 -0.005 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.449 18.112 -2.162 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.057 16.880 0.561 1.00 0.00 C ATOM 0 H ILE A 40 9.798 19.581 0.608 1.00 0.00 H new ATOM 0 HA ILE A 40 12.718 19.757 0.014 1.00 0.00 H new ATOM 0 HB ILE A 40 10.455 18.262 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.967 17.237 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.350 16.186 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.300 17.130 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.250 18.884 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.478 18.200 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.051 16.019 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.756 16.700 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.367 17.767 1.114 1.00 0.00 H new ATOM 631 N LYS A 41 12.523 21.415 -1.789 1.00 0.00 N ATOM 632 CA LYS A 41 12.492 22.664 -2.599 1.00 0.00 C ATOM 633 C LYS A 41 13.479 22.575 -3.797 1.00 0.00 C ATOM 634 O LYS A 41 13.546 21.530 -4.436 1.00 0.00 O ATOM 635 CB LYS A 41 12.813 23.863 -1.670 1.00 0.00 C ATOM 636 CG LYS A 41 11.985 23.969 -0.376 1.00 0.00 C ATOM 637 CD LYS A 41 12.414 25.223 0.392 1.00 0.00 C ATOM 638 CE LYS A 41 11.607 25.411 1.679 1.00 0.00 C ATOM 639 NZ LYS A 41 12.116 26.580 2.444 1.00 0.00 N ATOM 0 H LYS A 41 13.467 21.079 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 41 11.500 22.805 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.867 23.811 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.676 24.782 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.922 24.018 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.134 23.082 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.474 25.154 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.290 26.099 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.554 25.557 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.672 24.511 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.606 26.248 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.779 27.120 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.319 27.190 2.716 1.00 0.00 H new ATOM 653 N ASP A 42 14.200 23.655 -4.122 1.00 0.00 N ATOM 654 CA ASP A 42 15.358 23.755 -5.068 1.00 0.00 C ATOM 655 C ASP A 42 16.171 25.015 -4.689 1.00 0.00 C ATOM 656 O ASP A 42 15.605 25.846 -3.994 1.00 0.00 O ATOM 657 CB ASP A 42 14.963 23.820 -6.529 1.00 0.00 C ATOM 658 CG ASP A 42 16.151 23.272 -7.329 1.00 0.00 C ATOM 659 OD1 ASP A 42 17.072 24.042 -7.683 1.00 0.00 O ATOM 660 OD2 ASP A 42 16.192 22.042 -7.522 1.00 0.00 O ATOM 0 H ASP A 42 13.986 24.562 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 42 15.944 22.842 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.066 23.230 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.737 24.845 -6.824 1.00 0.00 H new ATOM 665 N ARG A 43 17.432 25.241 -5.098 1.00 0.00 N ATOM 666 CA ARG A 43 18.338 26.372 -4.674 1.00 0.00 C ATOM 667 C ARG A 43 18.463 26.610 -3.162 1.00 0.00 C ATOM 668 O ARG A 43 19.063 27.605 -2.795 1.00 0.00 O ATOM 669 CB ARG A 43 17.941 27.690 -5.404 1.00 0.00 C ATOM 670 CG ARG A 43 18.710 29.035 -5.214 1.00 0.00 C ATOM 671 CD ARG A 43 17.949 30.230 -4.563 1.00 0.00 C ATOM 672 NE ARG A 43 18.143 30.221 -3.100 1.00 0.00 N ATOM 673 CZ ARG A 43 17.759 31.123 -2.217 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.905 32.065 -2.483 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.231 31.139 -1.012 1.00 0.00 N ATOM 0 H ARG A 43 17.888 24.620 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 43 19.334 26.048 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.962 27.470 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.902 27.888 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.593 28.832 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.063 29.358 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.310 31.171 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.886 30.165 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 43 18.638 29.413 -2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.495 32.134 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.644 32.736 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.918 30.442 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.916 31.848 -0.350 1.00 0.00 H new ATOM 689 N THR A 44 17.856 25.782 -2.304 1.00 0.00 N ATOM 690 CA THR A 44 17.722 26.173 -0.883 1.00 0.00 C ATOM 691 C THR A 44 16.713 27.336 -0.740 1.00 0.00 C ATOM 692 O THR A 44 16.730 28.091 0.232 1.00 0.00 O ATOM 693 CB THR A 44 19.032 26.174 -0.060 1.00 0.00 C ATOM 694 OG1 THR A 44 18.723 25.991 1.308 1.00 0.00 O ATOM 695 CG2 THR A 44 19.947 27.388 -0.198 1.00 0.00 C ATOM 0 H THR A 44 17.462 24.873 -2.547 1.00 0.00 H new ATOM 0 HA THR A 44 17.250 25.363 -0.327 1.00 0.00 H new ATOM 0 HB THR A 44 19.607 25.352 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.961 26.558 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.826 27.255 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.259 27.492 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.411 28.285 0.112 1.00 0.00 H new ATOM 703 N SER A 45 15.881 27.390 -1.809 1.00 0.00 N ATOM 704 CA SER A 45 14.615 28.134 -1.844 1.00 0.00 C ATOM 705 C SER A 45 14.213 28.879 -3.152 1.00 0.00 C ATOM 706 O SER A 45 13.586 29.939 -3.097 1.00 0.00 O ATOM 707 CB SER A 45 14.166 28.835 -0.581 1.00 0.00 C ATOM 708 OG SER A 45 14.013 27.977 0.541 1.00 0.00 O ATOM 0 H SER A 45 16.083 26.905 -2.684 1.00 0.00 H new ATOM 0 HA SER A 45 13.987 27.244 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.890 29.612 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.216 29.334 -0.774 1.00 0.00 H new ATOM 0 HG SER A 45 14.888 27.819 0.954 1.00 0.00 H new ATOM 714 N LYS A 46 14.543 28.341 -4.346 1.00 0.00 N ATOM 715 CA LYS A 46 13.822 28.705 -5.614 1.00 0.00 C ATOM 716 C LYS A 46 12.280 28.561 -5.358 1.00 0.00 C ATOM 717 O LYS A 46 11.507 29.407 -5.803 1.00 0.00 O ATOM 718 CB LYS A 46 14.272 27.798 -6.785 1.00 0.00 C ATOM 719 CG LYS A 46 15.466 28.251 -7.677 1.00 0.00 C ATOM 720 CD LYS A 46 16.144 27.009 -8.320 1.00 0.00 C ATOM 721 CE LYS A 46 17.423 27.136 -9.205 1.00 0.00 C ATOM 722 NZ LYS A 46 18.442 26.102 -8.880 1.00 0.00 N ATOM 0 H LYS A 46 15.292 27.661 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 46 14.059 29.732 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.525 26.823 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.411 27.652 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.114 28.928 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.190 28.803 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.390 26.328 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.386 26.517 -8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.145 27.051 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.858 28.126 -9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.948 25.829 -9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.119 26.487 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.972 25.267 -8.475 1.00 0.00 H new ATOM 736 N SER A 47 11.921 27.535 -4.548 1.00 0.00 N ATOM 737 CA SER A 47 10.582 27.411 -3.919 1.00 0.00 C ATOM 738 C SER A 47 9.511 26.605 -4.661 1.00 0.00 C ATOM 739 O SER A 47 8.748 27.125 -5.474 1.00 0.00 O ATOM 740 CB SER A 47 10.002 28.707 -3.328 1.00 0.00 C ATOM 741 OG SER A 47 10.885 29.267 -2.370 1.00 0.00 O ATOM 0 H SER A 47 12.552 26.769 -4.312 1.00 0.00 H new ATOM 0 HA SER A 47 10.861 26.771 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.822 29.427 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.038 28.500 -2.863 1.00 0.00 H new ATOM 0 HG SER A 47 11.719 29.534 -2.810 1.00 0.00 H new ATOM 747 N ARG A 48 9.492 25.300 -4.333 1.00 0.00 N ATOM 748 CA ARG A 48 8.520 24.243 -4.617 1.00 0.00 C ATOM 749 C ARG A 48 8.487 23.385 -3.335 1.00 0.00 C ATOM 750 O ARG A 48 9.374 23.538 -2.500 1.00 0.00 O ATOM 751 CB ARG A 48 8.910 23.582 -5.956 1.00 0.00 C ATOM 752 CG ARG A 48 8.888 22.063 -6.114 1.00 0.00 C ATOM 753 CD ARG A 48 10.007 21.310 -5.400 1.00 0.00 C ATOM 754 NE ARG A 48 10.061 19.960 -5.984 1.00 0.00 N ATOM 755 CZ ARG A 48 11.083 19.133 -6.084 1.00 0.00 C ATOM 756 NH1 ARG A 48 12.202 19.296 -5.442 1.00 0.00 N ATOM 757 NH2 ARG A 48 11.006 18.127 -6.902 1.00 0.00 N ATOM 0 H ARG A 48 10.266 24.918 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 48 7.489 24.545 -4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.250 23.993 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.920 23.914 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.932 21.691 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.935 21.825 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.960 21.824 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.814 21.259 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 48 9.181 19.614 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.322 20.097 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.959 18.623 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.162 17.985 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.789 17.480 -6.989 1.00 0.00 H new ATOM 771 N GLY A 49 7.424 22.626 -3.095 1.00 0.00 N ATOM 772 CA GLY A 49 7.168 21.976 -1.791 1.00 0.00 C ATOM 773 C GLY A 49 6.709 20.516 -1.721 1.00 0.00 C ATOM 774 O GLY A 49 5.620 20.195 -2.188 1.00 0.00 O ATOM 0 H GLY A 49 6.706 22.436 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.087 22.052 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.415 22.574 -1.277 1.00 0.00 H new ATOM 778 N PHE A 50 7.542 19.636 -1.154 1.00 0.00 N ATOM 779 CA PHE A 50 7.082 18.284 -0.689 1.00 0.00 C ATOM 780 C PHE A 50 7.577 17.793 0.662 1.00 0.00 C ATOM 781 O PHE A 50 8.682 18.123 1.050 1.00 0.00 O ATOM 782 CB PHE A 50 6.973 17.225 -1.724 1.00 0.00 C ATOM 783 CG PHE A 50 8.102 16.919 -2.620 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.032 15.960 -2.227 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.067 17.418 -3.927 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.001 15.555 -3.143 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.017 16.978 -4.848 1.00 0.00 C ATOM 788 CZ PHE A 50 10.026 16.092 -4.438 1.00 0.00 C ATOM 0 H PHE A 50 8.534 19.816 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 50 6.045 18.537 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.715 16.300 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.124 17.484 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.003 15.539 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.314 18.135 -4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.739 14.821 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.977 17.317 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.820 15.824 -5.119 1.00 0.00 H new ATOM 798 N ALA A 51 6.784 17.042 1.419 1.00 0.00 N ATOM 799 CA ALA A 51 7.087 16.772 2.818 1.00 0.00 C ATOM 800 C ALA A 51 7.613 15.383 3.097 1.00 0.00 C ATOM 801 O ALA A 51 7.145 14.396 2.547 1.00 0.00 O ATOM 802 CB ALA A 51 5.848 17.112 3.616 1.00 0.00 C ATOM 0 H ALA A 51 5.923 16.608 1.084 1.00 0.00 H new ATOM 0 HA ALA A 51 7.924 17.399 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.033 16.923 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.600 18.164 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.016 16.494 3.277 1.00 0.00 H new ATOM 808 N PHE A 52 8.651 15.340 3.921 1.00 0.00 N ATOM 809 CA PHE A 52 9.304 14.129 4.361 1.00 0.00 C ATOM 810 C PHE A 52 9.352 14.071 5.902 1.00 0.00 C ATOM 811 O PHE A 52 9.736 15.071 6.511 1.00 0.00 O ATOM 812 CB PHE A 52 10.659 14.059 3.707 1.00 0.00 C ATOM 813 CG PHE A 52 10.627 13.307 2.407 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.390 11.927 2.336 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.743 14.061 1.246 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.234 11.325 1.073 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.606 13.460 -0.013 1.00 0.00 C ATOM 818 CZ PHE A 52 10.336 12.088 -0.100 1.00 0.00 C ATOM 0 H PHE A 52 9.072 16.183 4.312 1.00 0.00 H new ATOM 0 HA PHE A 52 8.743 13.245 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.027 15.070 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.363 13.577 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.328 11.335 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.941 15.121 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.034 10.266 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.708 14.051 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.207 11.620 -1.065 1.00 0.00 H new ATOM 828 N ILE A 53 9.025 12.957 6.575 1.00 0.00 N ATOM 829 CA ILE A 53 9.225 12.877 8.047 1.00 0.00 C ATOM 830 C ILE A 53 9.860 11.545 8.433 1.00 0.00 C ATOM 831 O ILE A 53 9.441 10.516 7.911 1.00 0.00 O ATOM 832 CB ILE A 53 7.929 13.216 8.835 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.002 14.509 9.661 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.471 12.070 9.746 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.634 14.986 10.180 1.00 0.00 C ATOM 0 H ILE A 53 8.632 12.118 6.148 1.00 0.00 H new ATOM 0 HA ILE A 53 9.935 13.650 8.342 1.00 0.00 H new ATOM 0 HB ILE A 53 7.193 13.372 8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.668 14.351 10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.444 15.296 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.562 12.364 10.271 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.272 11.184 9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.253 11.847 10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.762 15.903 10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.971 15.176 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.198 14.217 10.818 1.00 0.00 H new ATOM 847 N THR A 54 10.860 11.548 9.319 1.00 0.00 N ATOM 848 CA THR A 54 11.403 10.299 9.878 1.00 0.00 C ATOM 849 C THR A 54 10.908 10.119 11.307 1.00 0.00 C ATOM 850 O THR A 54 10.975 11.030 12.151 1.00 0.00 O ATOM 851 CB THR A 54 12.935 10.212 9.903 1.00 0.00 C ATOM 852 OG1 THR A 54 13.516 10.695 8.718 1.00 0.00 O ATOM 853 CG2 THR A 54 13.448 8.780 10.032 1.00 0.00 C ATOM 0 H THR A 54 11.311 12.395 9.666 1.00 0.00 H new ATOM 0 HA THR A 54 11.049 9.515 9.209 1.00 0.00 H new ATOM 0 HB THR A 54 13.213 10.813 10.769 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.321 11.210 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.538 8.784 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.076 8.342 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.097 8.190 9.186 1.00 0.00 H new ATOM 861 N PHE A 55 10.476 8.884 11.553 1.00 0.00 N ATOM 862 CA PHE A 55 9.902 8.361 12.780 1.00 0.00 C ATOM 863 C PHE A 55 10.948 7.499 13.482 1.00 0.00 C ATOM 864 O PHE A 55 11.613 6.675 12.854 1.00 0.00 O ATOM 865 CB PHE A 55 8.713 7.448 12.436 1.00 0.00 C ATOM 866 CG PHE A 55 7.493 8.143 11.878 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.383 8.396 10.503 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.434 8.494 12.731 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.231 9.009 9.997 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.265 9.072 12.214 1.00 0.00 C ATOM 871 CZ PHE A 55 5.166 9.339 10.843 1.00 0.00 C ATOM 0 H PHE A 55 10.525 8.164 10.832 1.00 0.00 H new ATOM 0 HA PHE A 55 9.583 9.190 13.412 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.047 6.704 11.713 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.421 6.908 13.337 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.186 8.118 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.520 8.318 13.793 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.163 9.230 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.443 9.311 12.872 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.274 9.796 10.441 1.00 0.00 H new ATOM 881 N GLU A 56 11.067 7.694 14.797 1.00 0.00 N ATOM 882 CA GLU A 56 11.888 6.821 15.658 1.00 0.00 C ATOM 883 C GLU A 56 11.792 5.301 15.368 1.00 0.00 C ATOM 884 O GLU A 56 12.805 4.620 15.510 1.00 0.00 O ATOM 885 CB GLU A 56 11.574 7.150 17.130 1.00 0.00 C ATOM 886 CG GLU A 56 11.774 8.642 17.468 1.00 0.00 C ATOM 887 CD GLU A 56 11.794 8.874 18.993 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.748 8.688 19.658 1.00 0.00 O ATOM 889 OE2 GLU A 56 12.861 9.253 19.532 1.00 0.00 O ATOM 0 H GLU A 56 10.604 8.453 15.297 1.00 0.00 H new ATOM 0 HA GLU A 56 12.929 7.043 15.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.544 6.868 17.348 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.213 6.548 17.776 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.709 8.993 17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.973 9.229 17.019 1.00 0.00 H new ATOM 896 N ASN A 57 10.646 4.772 14.896 1.00 0.00 N ATOM 897 CA ASN A 57 10.571 3.388 14.385 1.00 0.00 C ATOM 898 C ASN A 57 9.746 3.293 13.077 1.00 0.00 C ATOM 899 O ASN A 57 8.801 4.064 12.879 1.00 0.00 O ATOM 900 CB ASN A 57 9.965 2.442 15.442 1.00 0.00 C ATOM 901 CG ASN A 57 10.467 2.649 16.860 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.528 2.180 17.248 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.702 3.323 17.683 1.00 0.00 N ATOM 0 H ASN A 57 9.762 5.280 14.858 1.00 0.00 H new ATOM 0 HA ASN A 57 11.594 3.081 14.166 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.882 2.563 15.436 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.172 1.413 15.147 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.990 3.459 18.652 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.818 3.712 17.355 1.00 0.00 H new ATOM 910 N PRO A 58 10.024 2.289 12.218 1.00 0.00 N ATOM 911 CA PRO A 58 9.282 2.016 10.976 1.00 0.00 C ATOM 912 C PRO A 58 7.818 1.640 11.237 1.00 0.00 C ATOM 913 O PRO A 58 6.922 2.029 10.485 1.00 0.00 O ATOM 914 CB PRO A 58 10.044 0.876 10.290 1.00 0.00 C ATOM 915 CG PRO A 58 10.713 0.165 11.466 1.00 0.00 C ATOM 916 CD PRO A 58 11.075 1.302 12.399 1.00 0.00 C ATOM 0 HA PRO A 58 9.230 2.906 10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.374 0.212 9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.775 1.251 9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.039 -0.547 11.942 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.595 -0.393 11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.123 0.963 13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.052 1.717 12.154 1.00 0.00 H new ATOM 924 N ALA A 59 7.588 0.936 12.351 1.00 0.00 N ATOM 925 CA ALA A 59 6.245 0.708 12.874 1.00 0.00 C ATOM 926 C ALA A 59 5.383 1.967 12.842 1.00 0.00 C ATOM 927 O ALA A 59 4.323 2.024 12.227 1.00 0.00 O ATOM 928 CB ALA A 59 6.422 0.291 14.345 1.00 0.00 C ATOM 0 H ALA A 59 8.328 0.511 12.910 1.00 0.00 H new ATOM 0 HA ALA A 59 5.746 -0.045 12.263 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.445 0.106 14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.022 -0.618 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.925 1.089 14.891 1.00 0.00 H new ATOM 934 N ASP A 60 5.853 2.956 13.590 1.00 0.00 N ATOM 935 CA ASP A 60 5.162 4.213 13.734 1.00 0.00 C ATOM 936 C ASP A 60 4.956 4.995 12.430 1.00 0.00 C ATOM 937 O ASP A 60 3.933 5.649 12.231 1.00 0.00 O ATOM 938 CB ASP A 60 5.885 5.015 14.788 1.00 0.00 C ATOM 939 CG ASP A 60 6.115 4.290 16.123 1.00 0.00 C ATOM 940 OD1 ASP A 60 5.127 3.843 16.753 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.287 4.198 16.550 1.00 0.00 O ATOM 0 H ASP A 60 6.727 2.901 14.112 1.00 0.00 H new ATOM 0 HA ASP A 60 4.139 4.003 14.046 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.852 5.321 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.317 5.925 14.981 1.00 0.00 H new ATOM 946 N ALA A 61 5.940 4.911 11.533 1.00 0.00 N ATOM 947 CA ALA A 61 5.786 5.427 10.174 1.00 0.00 C ATOM 948 C ALA A 61 4.565 4.827 9.473 1.00 0.00 C ATOM 949 O ALA A 61 3.696 5.526 8.955 1.00 0.00 O ATOM 950 CB ALA A 61 7.077 5.114 9.406 1.00 0.00 C ATOM 0 H ALA A 61 6.850 4.491 11.724 1.00 0.00 H new ATOM 0 HA ALA A 61 5.617 6.503 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.993 5.488 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.920 5.596 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.236 4.036 9.386 1.00 0.00 H new ATOM 956 N LYS A 62 4.539 3.497 9.459 1.00 0.00 N ATOM 957 CA LYS A 62 3.440 2.672 8.919 1.00 0.00 C ATOM 958 C LYS A 62 2.095 3.000 9.555 1.00 0.00 C ATOM 959 O LYS A 62 1.076 3.068 8.879 1.00 0.00 O ATOM 960 CB LYS A 62 3.807 1.180 8.989 1.00 0.00 C ATOM 961 CG LYS A 62 2.854 0.295 8.163 1.00 0.00 C ATOM 962 CD LYS A 62 3.335 -1.163 8.073 1.00 0.00 C ATOM 963 CE LYS A 62 4.641 -1.282 7.275 1.00 0.00 C ATOM 964 NZ LYS A 62 5.101 -2.688 7.168 1.00 0.00 N ATOM 0 H LYS A 62 5.304 2.936 9.834 1.00 0.00 H new ATOM 0 HA LYS A 62 3.313 2.921 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.827 1.043 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.790 0.854 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.861 0.320 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.761 0.706 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.485 -1.559 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.564 -1.772 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.494 -0.872 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.415 -0.683 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.985 -2.723 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.266 -3.073 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.374 -3.255 6.687 1.00 0.00 H new ATOM 978 N ASN A 63 2.103 3.177 10.869 1.00 0.00 N ATOM 979 CA ASN A 63 0.947 3.636 11.605 1.00 0.00 C ATOM 980 C ASN A 63 0.385 4.959 11.090 1.00 0.00 C ATOM 981 O ASN A 63 -0.753 4.992 10.637 1.00 0.00 O ATOM 982 CB ASN A 63 1.446 3.713 13.041 1.00 0.00 C ATOM 983 CG ASN A 63 0.391 3.497 14.088 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.513 2.685 13.959 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.523 4.166 15.193 1.00 0.00 N ATOM 0 H ASN A 63 2.921 3.003 11.453 1.00 0.00 H new ATOM 0 HA ASN A 63 0.096 2.964 11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.231 2.970 13.178 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.901 4.690 13.200 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.131 4.016 15.961 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.280 4.842 15.293 1.00 0.00 H new ATOM 992 N ALA A 64 1.188 6.027 11.145 1.00 0.00 N ATOM 993 CA ALA A 64 0.799 7.319 10.592 1.00 0.00 C ATOM 994 C ALA A 64 0.403 7.227 9.102 1.00 0.00 C ATOM 995 O ALA A 64 -0.558 7.867 8.684 1.00 0.00 O ATOM 996 CB ALA A 64 1.916 8.312 10.919 1.00 0.00 C ATOM 0 H ALA A 64 2.115 6.017 11.570 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.118 7.686 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.659 9.293 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.037 8.381 12.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.849 7.971 10.471 1.00 0.00 H new ATOM 1002 N ALA A 65 1.077 6.393 8.302 1.00 0.00 N ATOM 1003 CA ALA A 65 0.610 6.065 6.953 1.00 0.00 C ATOM 1004 C ALA A 65 -0.823 5.516 6.944 1.00 0.00 C ATOM 1005 O ALA A 65 -1.714 6.140 6.383 1.00 0.00 O ATOM 1006 CB ALA A 65 1.594 5.121 6.246 1.00 0.00 C ATOM 0 H ALA A 65 1.948 5.933 8.567 1.00 0.00 H new ATOM 0 HA ALA A 65 0.578 6.996 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.225 4.893 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.569 5.602 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.687 4.198 6.818 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.037 4.363 7.579 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.286 3.582 7.628 1.00 0.00 C ATOM 1014 C LYS A 66 -3.445 4.425 8.137 1.00 0.00 C ATOM 1015 O LYS A 66 -4.567 4.329 7.645 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.055 2.312 8.468 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.274 1.376 8.529 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.953 0.119 9.352 1.00 0.00 C ATOM 1019 CE LYS A 66 -4.177 -0.802 9.425 1.00 0.00 C ATOM 1020 NZ LYS A 66 -3.897 -2.024 10.225 1.00 0.00 N ATOM 0 H LYS A 66 -0.293 3.913 8.112 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.566 3.273 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.208 1.764 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.782 2.603 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.120 1.901 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.570 1.090 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.116 -0.414 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.645 0.405 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.014 -0.261 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.479 -1.088 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.747 -2.623 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.115 -2.553 9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.634 -1.752 11.194 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.143 5.254 9.129 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.045 6.316 9.565 1.00 0.00 C ATOM 1036 C ASP A 67 -4.469 7.267 8.435 1.00 0.00 C ATOM 1037 O ASP A 67 -5.647 7.442 8.121 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.285 7.128 10.625 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.199 7.896 11.597 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.361 7.476 11.822 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.752 8.924 12.150 1.00 0.00 O ATOM 0 H ASP A 67 -2.269 5.210 9.653 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.959 5.857 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.648 6.454 11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.628 7.838 10.122 1.00 0.00 H new ATOM 1046 N MET A 68 -3.438 7.927 7.910 1.00 0.00 N ATOM 1047 CA MET A 68 -3.608 9.083 7.000 1.00 0.00 C ATOM 1048 C MET A 68 -4.031 8.753 5.562 1.00 0.00 C ATOM 1049 O MET A 68 -5.215 8.841 5.248 1.00 0.00 O ATOM 1050 CB MET A 68 -2.415 10.026 7.095 1.00 0.00 C ATOM 1051 CG MET A 68 -2.214 10.617 8.502 1.00 0.00 C ATOM 1052 SD MET A 68 -3.675 11.301 9.342 1.00 0.00 S ATOM 1053 CE MET A 68 -3.888 12.881 8.490 1.00 0.00 C ATOM 0 H MET A 68 -2.464 7.686 8.095 1.00 0.00 H new ATOM 0 HA MET A 68 -4.486 9.615 7.367 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.513 9.489 6.802 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.547 10.840 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.795 9.837 9.138 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.466 11.407 8.431 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.414 13.578 9.142 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.911 13.291 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.467 12.728 7.579 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.042 8.426 4.707 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.278 7.788 3.389 1.00 0.00 C ATOM 1065 C ASN A 69 -4.258 8.370 2.337 1.00 0.00 C ATOM 1066 O ASN A 69 -4.364 7.825 1.237 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.483 6.284 3.640 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.903 5.871 3.976 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.682 5.442 3.137 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.268 5.984 5.227 1.00 0.00 N ATOM 0 H ASN A 69 -2.056 8.595 4.907 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.376 8.044 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.163 5.737 2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.830 5.976 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.210 5.713 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.611 6.343 5.920 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.920 9.485 2.625 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.907 10.149 1.761 1.00 0.00 C ATOM 1079 C GLY A 70 -6.898 11.022 2.523 1.00 0.00 C ATOM 1080 O GLY A 70 -8.066 11.137 2.141 1.00 0.00 O ATOM 0 H GLY A 70 -4.781 9.979 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.382 10.764 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.457 9.391 1.204 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.405 11.620 3.613 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.171 12.603 4.369 1.00 0.00 C ATOM 1086 C LYS A 71 -6.961 13.970 3.704 1.00 0.00 C ATOM 1087 O LYS A 71 -6.346 14.081 2.641 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.622 12.491 5.803 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.262 13.334 6.926 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.782 13.121 7.052 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.392 13.906 8.226 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.598 15.349 7.919 1.00 0.00 N ATOM 0 H LYS A 71 -5.475 11.436 3.988 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.250 12.451 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.692 11.444 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.562 12.743 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.787 13.085 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.064 14.389 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.266 13.426 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.987 12.059 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.348 13.458 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.740 13.815 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.347 15.920 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.996 15.623 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.596 15.513 7.675 1.00 0.00 H new ATOM 1106 N SER A 72 -7.450 15.030 4.330 1.00 0.00 N ATOM 1107 CA SER A 72 -7.326 16.372 3.782 1.00 0.00 C ATOM 1108 C SER A 72 -7.496 17.370 4.905 1.00 0.00 C ATOM 1109 O SER A 72 -8.351 17.200 5.781 1.00 0.00 O ATOM 1110 CB SER A 72 -8.373 16.563 2.689 1.00 0.00 C ATOM 1111 OG SER A 72 -8.210 17.838 2.090 1.00 0.00 O ATOM 0 H SER A 72 -7.939 14.986 5.224 1.00 0.00 H new ATOM 0 HA SER A 72 -6.344 16.524 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.274 15.781 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.374 16.474 3.111 1.00 0.00 H new ATOM 0 HG SER A 72 -8.882 17.958 1.387 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.596 18.350 4.914 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.430 19.248 6.066 1.00 0.00 C ATOM 1119 C LEU A 73 -5.760 20.610 5.803 1.00 0.00 C ATOM 1120 O LEU A 73 -5.591 21.388 6.743 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.768 18.453 7.221 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.314 17.942 7.136 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.893 17.108 5.930 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.286 19.073 7.282 1.00 0.00 C ATOM 0 H LEU A 73 -5.966 18.547 4.136 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.433 19.569 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.829 19.081 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.397 17.582 7.403 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.319 17.254 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.843 16.831 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.503 16.206 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.032 17.690 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.279 18.661 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.433 19.803 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.415 19.560 8.249 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.412 20.926 4.549 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.764 22.198 4.184 1.00 0.00 C ATOM 1138 C HIS A 74 -5.398 22.919 2.970 1.00 0.00 C ATOM 1139 O HIS A 74 -4.831 23.877 2.443 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.244 21.969 4.048 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.646 21.896 2.682 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.511 20.831 1.812 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -1.800 22.867 2.266 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.584 21.180 0.901 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.082 22.377 1.193 1.00 0.00 N ATOM 0 H HIS A 74 -5.571 20.306 3.755 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.940 22.906 4.994 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.740 22.772 4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.003 21.039 4.564 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -3.018 19.947 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.703 23.852 2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.290 20.576 0.055 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.572 22.463 2.512 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.150 22.917 1.233 1.00 0.00 C ATOM 1155 C GLY A 75 -6.614 22.146 0.014 1.00 0.00 C ATOM 1156 O GLY A 75 -6.805 22.579 -1.125 1.00 0.00 O ATOM 0 H GLY A 75 -7.143 21.778 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.234 22.810 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.939 23.979 1.104 1.00 0.00 H new ATOM 1160 N LYS A 76 -5.952 21.010 0.283 1.00 0.00 N ATOM 1161 CA LYS A 76 -5.571 20.049 -0.759 1.00 0.00 C ATOM 1162 C LYS A 76 -5.158 18.809 -0.001 1.00 0.00 C ATOM 1163 O LYS A 76 -4.221 18.818 0.801 1.00 0.00 O ATOM 1164 CB LYS A 76 -4.474 20.536 -1.718 1.00 0.00 C ATOM 1165 CG LYS A 76 -3.914 19.449 -2.660 1.00 0.00 C ATOM 1166 CD LYS A 76 -3.071 20.046 -3.806 1.00 0.00 C ATOM 1167 CE LYS A 76 -2.923 19.050 -4.966 1.00 0.00 C ATOM 1168 NZ LYS A 76 -2.101 19.599 -6.078 1.00 0.00 N ATOM 0 H LYS A 76 -5.668 20.735 1.223 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.408 19.875 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.873 21.351 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.653 20.947 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.302 18.754 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.740 18.875 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.540 20.961 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.085 20.320 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.466 18.132 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.911 18.785 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.029 18.892 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.550 20.461 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.149 19.828 -5.726 1.00 0.00 H new ATOM 1182 N ALA A 77 -5.968 17.796 -0.229 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.715 16.465 0.266 1.00 0.00 C ATOM 1184 C ALA A 77 -4.253 15.998 0.260 1.00 0.00 C ATOM 1185 O ALA A 77 -3.448 16.345 -0.609 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.600 15.611 -0.617 1.00 0.00 C ATOM 0 H ALA A 77 -6.829 17.878 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.936 16.403 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.494 14.564 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.639 15.916 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.305 15.737 -1.659 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.982 15.130 1.231 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.639 14.595 1.463 1.00 0.00 C ATOM 1194 C ILE A 78 -2.570 13.167 0.959 1.00 0.00 C ATOM 1195 O ILE A 78 -3.467 12.345 1.158 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.164 14.670 2.923 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.087 13.866 3.840 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.998 16.145 3.306 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.485 13.700 5.221 1.00 0.00 C ATOM 0 H ILE A 78 -4.685 14.777 1.880 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.956 15.236 0.906 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.188 14.200 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.051 14.368 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.273 12.885 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.661 16.217 4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.261 16.610 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.954 16.658 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.166 13.124 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.533 13.175 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.323 14.681 5.667 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.477 12.903 0.271 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.104 11.543 -0.098 1.00 0.00 C ATOM 1213 C LYS A 79 0.046 11.099 0.799 1.00 0.00 C ATOM 1214 O LYS A 79 0.971 11.881 0.988 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.765 11.574 -1.589 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.241 10.239 -2.112 1.00 0.00 C ATOM 1217 CD LYS A 79 1.291 10.219 -2.123 1.00 0.00 C ATOM 1218 CE LYS A 79 1.775 8.828 -2.519 1.00 0.00 C ATOM 1219 NZ LYS A 79 3.176 8.845 -3.003 1.00 0.00 N ATOM 0 H LYS A 79 -0.823 13.617 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.899 10.812 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.655 11.854 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.018 12.347 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.615 9.427 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.618 10.065 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.671 10.962 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.677 10.484 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.695 8.159 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.127 8.427 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.560 7.879 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.203 9.213 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.749 9.455 -2.386 1.00 0.00 H new ATOM 1233 N VAL A 80 0.002 9.878 1.340 1.00 0.00 N ATOM 1234 CA VAL A 80 1.007 9.370 2.299 1.00 0.00 C ATOM 1235 C VAL A 80 1.615 8.037 1.859 1.00 0.00 C ATOM 1236 O VAL A 80 0.901 7.048 1.699 1.00 0.00 O ATOM 1237 CB VAL A 80 0.415 9.237 3.715 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.504 8.830 4.716 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.274 10.539 4.152 1.00 0.00 C ATOM 0 H VAL A 80 -0.734 9.204 1.128 1.00 0.00 H new ATOM 0 HA VAL A 80 1.808 10.109 2.319 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.342 8.453 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.068 8.741 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.931 7.872 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.287 9.588 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.682 10.416 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.452 11.352 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.081 10.774 3.458 1.00 0.00 H new ATOM 1249 N GLU A 81 2.937 8.012 1.666 1.00 0.00 N ATOM 1250 CA GLU A 81 3.715 6.818 1.275 1.00 0.00 C ATOM 1251 C GLU A 81 5.024 6.622 2.069 1.00 0.00 C ATOM 1252 O GLU A 81 5.714 7.594 2.376 1.00 0.00 O ATOM 1253 CB GLU A 81 3.936 6.812 -0.244 1.00 0.00 C ATOM 1254 CG GLU A 81 4.278 5.411 -0.782 1.00 0.00 C ATOM 1255 CD GLU A 81 4.316 5.337 -2.323 1.00 0.00 C ATOM 1256 OE1 GLU A 81 3.630 6.134 -3.005 1.00 0.00 O ATOM 1257 OE2 GLU A 81 5.047 4.472 -2.863 1.00 0.00 O ATOM 0 H GLU A 81 3.518 8.842 1.779 1.00 0.00 H new ATOM 0 HA GLU A 81 3.117 5.948 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.038 7.180 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.743 7.501 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.247 5.105 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.543 4.698 -0.410 1.00 0.00 H new ATOM 1264 N GLN A 82 5.397 5.375 2.391 1.00 0.00 N ATOM 1265 CA GLN A 82 6.696 5.057 3.014 1.00 0.00 C ATOM 1266 C GLN A 82 7.774 5.231 1.920 1.00 0.00 C ATOM 1267 O GLN A 82 7.716 4.622 0.847 1.00 0.00 O ATOM 1268 CB GLN A 82 6.652 3.598 3.523 1.00 0.00 C ATOM 1269 CG GLN A 82 7.962 3.027 4.109 1.00 0.00 C ATOM 1270 CD GLN A 82 8.130 3.271 5.610 1.00 0.00 C ATOM 1271 OE1 GLN A 82 8.414 4.368 6.064 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.987 2.266 6.446 1.00 0.00 N ATOM 0 H GLN A 82 4.809 4.557 2.228 1.00 0.00 H new ATOM 0 HA GLN A 82 6.919 5.707 3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.878 3.528 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.342 2.959 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.995 1.954 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.807 3.470 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.750 1.339 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.113 2.414 7.447 1.00 0.00 H new ATOM 1281 N ALA A 83 8.709 6.146 2.177 1.00 0.00 N ATOM 1282 CA ALA A 83 9.679 6.677 1.219 1.00 0.00 C ATOM 1283 C ALA A 83 10.692 5.676 0.624 1.00 0.00 C ATOM 1284 O ALA A 83 10.931 4.580 1.143 1.00 0.00 O ATOM 1285 CB ALA A 83 10.421 7.850 1.883 1.00 0.00 C ATOM 0 H ALA A 83 8.816 6.557 3.104 1.00 0.00 H new ATOM 0 HA ALA A 83 9.092 6.985 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.150 8.261 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.705 8.625 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.934 7.496 2.777 1.00 0.00 H new ATOM 1291 N LYS A 84 11.342 6.164 -0.441 1.00 0.00 N ATOM 1292 CA LYS A 84 12.494 5.487 -1.065 1.00 0.00 C ATOM 1293 C LYS A 84 13.563 6.532 -1.408 1.00 0.00 C ATOM 1294 O LYS A 84 13.287 7.727 -1.316 1.00 0.00 O ATOM 1295 CB LYS A 84 12.005 4.772 -2.345 1.00 0.00 C ATOM 1296 CG LYS A 84 11.489 3.352 -2.073 1.00 0.00 C ATOM 1297 CD LYS A 84 12.636 2.373 -1.764 1.00 0.00 C ATOM 1298 CE LYS A 84 12.132 1.094 -1.076 1.00 0.00 C ATOM 1299 NZ LYS A 84 11.214 0.304 -1.941 1.00 0.00 N ATOM 0 H LYS A 84 11.086 7.040 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 84 12.927 4.754 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.210 5.361 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.823 4.725 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.794 3.373 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.932 2.996 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.147 2.109 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.369 2.864 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.985 0.475 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.617 1.361 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.903 -0.547 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.385 0.882 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.711 0.024 -2.811 1.00 0.00 H new ATOM 1313 N LYS A 85 14.781 6.114 -1.776 1.00 0.00 N ATOM 1314 CA LYS A 85 15.848 7.057 -2.186 1.00 0.00 C ATOM 1315 C LYS A 85 15.429 7.938 -3.390 1.00 0.00 C ATOM 1316 O LYS A 85 14.705 7.441 -4.260 1.00 0.00 O ATOM 1317 CB LYS A 85 17.141 6.283 -2.517 1.00 0.00 C ATOM 1318 CG LYS A 85 17.809 5.694 -1.262 1.00 0.00 C ATOM 1319 CD LYS A 85 19.139 4.981 -1.561 1.00 0.00 C ATOM 1320 CE LYS A 85 18.942 3.714 -2.408 1.00 0.00 C ATOM 1321 NZ LYS A 85 20.224 2.990 -2.624 1.00 0.00 N ATOM 0 H LYS A 85 15.059 5.133 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 85 16.027 7.727 -1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.911 5.478 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.842 6.950 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.987 6.494 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.124 4.989 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.806 5.666 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.626 4.716 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.230 3.053 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.510 3.984 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.051 2.141 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.895 3.612 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.624 2.710 -1.706 1.00 0.00 H new ATOM 1335 N PRO A 86 15.929 9.189 -3.515 1.00 0.00 N ATOM 1336 CA PRO A 86 15.680 10.034 -4.695 1.00 0.00 C ATOM 1337 C PRO A 86 16.396 9.483 -5.945 1.00 0.00 C ATOM 1338 O PRO A 86 15.854 9.493 -7.050 1.00 0.00 O ATOM 1339 CB PRO A 86 16.204 11.418 -4.299 1.00 0.00 C ATOM 1340 CG PRO A 86 17.301 11.140 -3.275 1.00 0.00 C ATOM 1341 CD PRO A 86 16.788 9.885 -2.560 1.00 0.00 C ATOM 0 HA PRO A 86 14.624 10.064 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.596 11.955 -5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.412 12.034 -3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.266 10.968 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.431 11.974 -2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.617 9.249 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.233 10.150 -1.660 1.00 0.00 H new