USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 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 9 LYS NZ :NH3+ 140:sc= 2.38 (180deg=-0.113) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 16 ASN : amide:sc= 0.455 K(o=0.46,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 20 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 173:sc= -1.23 (180deg=-1.41) USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= 0.299 (180deg=0.156) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.58 K(o=0.58,f=-2.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.00921 USER MOD Single : A 45 SER OG : rot -44:sc= 0.759 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.158 (180deg=-0.158) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.18 K(o=1.2,f=-0.038) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.441 K(o=0.44,f=-0.74) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -151:sc= -0.993 (180deg=-2.87!) USER MOD Single : A 69 ASN : amide:sc= -0.583! K(o=-0.58!,f=-0.046) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.873) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-5.2!) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0363) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) 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 11.005 6.691 7.358 1.00 0.00 N ATOM 112 CA LYS A 9 10.866 8.063 6.837 1.00 0.00 C ATOM 113 C LYS A 9 9.811 8.139 5.727 1.00 0.00 C ATOM 114 O LYS A 9 9.754 7.288 4.837 1.00 0.00 O ATOM 115 CB LYS A 9 12.248 8.595 6.410 1.00 0.00 C ATOM 116 CG LYS A 9 12.251 10.118 6.184 1.00 0.00 C ATOM 117 CD LYS A 9 13.689 10.648 6.039 1.00 0.00 C ATOM 118 CE LYS A 9 13.809 12.182 6.001 1.00 0.00 C ATOM 119 NZ LYS A 9 13.224 12.836 7.201 1.00 0.00 N ATOM 0 HA LYS A 9 10.496 8.717 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.983 8.343 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.559 8.094 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.678 10.358 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.758 10.615 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.286 10.271 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.121 10.241 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.860 12.458 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.310 12.559 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.833 13.625 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.276 13.197 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.154 12.144 7.974 1.00 0.00 H new ATOM 133 N LEU A 10 8.971 9.167 5.824 1.00 0.00 N ATOM 134 CA LEU A 10 7.745 9.267 5.027 1.00 0.00 C ATOM 135 C LEU A 10 7.702 10.519 4.166 1.00 0.00 C ATOM 136 O LEU A 10 8.155 11.561 4.611 1.00 0.00 O ATOM 137 CB LEU A 10 6.541 9.320 5.981 1.00 0.00 C ATOM 138 CG LEU A 10 5.844 7.987 6.137 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.647 6.931 6.844 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.449 8.100 6.760 1.00 0.00 C ATOM 0 H LEU A 10 9.118 9.954 6.456 1.00 0.00 H new ATOM 0 HA LEU A 10 7.718 8.398 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.876 9.664 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.826 10.055 5.612 1.00 0.00 H new ATOM 0 HG LEU A 10 5.732 7.650 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.064 6.012 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.566 6.740 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.894 7.274 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.006 7.108 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.528 8.546 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.819 8.727 6.130 1.00 0.00 H new ATOM 152 N PHE A 11 7.100 10.420 2.987 1.00 0.00 N ATOM 153 CA PHE A 11 6.835 11.516 2.058 1.00 0.00 C ATOM 154 C PHE A 11 5.339 11.869 2.141 1.00 0.00 C ATOM 155 O PHE A 11 4.470 11.017 1.929 1.00 0.00 O ATOM 156 CB PHE A 11 7.193 11.014 0.642 1.00 0.00 C ATOM 157 CG PHE A 11 6.771 11.831 -0.577 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.531 13.221 -0.528 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.636 11.164 -1.813 1.00 0.00 C ATOM 160 CE1 PHE A 11 6.135 13.915 -1.685 1.00 0.00 C ATOM 161 CE2 PHE A 11 6.273 11.866 -2.976 1.00 0.00 C ATOM 162 CZ PHE A 11 6.026 13.246 -2.913 1.00 0.00 C ATOM 0 H PHE A 11 6.765 9.524 2.632 1.00 0.00 H new ATOM 0 HA PHE A 11 7.421 12.404 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.276 10.902 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.765 10.018 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.652 13.754 0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.814 10.100 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.913 14.970 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.184 11.344 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.753 13.790 -3.805 1.00 0.00 H new ATOM 172 N ILE A 12 5.069 13.143 2.451 1.00 0.00 N ATOM 173 CA ILE A 12 3.733 13.689 2.333 1.00 0.00 C ATOM 174 C ILE A 12 3.835 14.593 1.133 1.00 0.00 C ATOM 175 O ILE A 12 4.723 15.459 1.014 1.00 0.00 O ATOM 176 CB ILE A 12 3.268 14.456 3.589 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.316 13.568 4.404 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.481 15.756 3.320 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.829 12.168 4.742 1.00 0.00 C ATOM 0 H ILE A 12 5.767 13.807 2.785 1.00 0.00 H new ATOM 0 HA ILE A 12 2.983 12.905 2.226 1.00 0.00 H new ATOM 0 HB ILE A 12 4.195 14.716 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.081 14.082 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.382 13.467 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.202 16.215 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.103 16.447 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.581 15.525 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.074 11.633 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.035 11.624 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.744 12.248 5.329 1.00 0.00 H new ATOM 191 N GLY A 13 2.876 14.331 0.264 1.00 0.00 N ATOM 192 CA GLY A 13 2.652 15.078 -0.926 1.00 0.00 C ATOM 193 C GLY A 13 1.433 15.946 -0.748 1.00 0.00 C ATOM 194 O GLY A 13 0.324 15.494 -0.448 1.00 0.00 O ATOM 0 H GLY A 13 2.217 13.562 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.522 15.695 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.512 14.404 -1.771 1.00 0.00 H new ATOM 198 N GLY A 14 1.736 17.215 -0.946 1.00 0.00 N ATOM 199 CA GLY A 14 0.742 18.267 -0.938 1.00 0.00 C ATOM 200 C GLY A 14 1.437 19.540 -0.707 1.00 0.00 C ATOM 201 O GLY A 14 2.144 19.960 -1.617 1.00 0.00 O ATOM 0 H GLY A 14 2.686 17.545 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.205 18.292 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.003 18.088 -0.157 1.00 0.00 H new ATOM 205 N LEU A 15 1.298 20.013 0.521 1.00 0.00 N ATOM 206 CA LEU A 15 1.954 21.244 0.976 1.00 0.00 C ATOM 207 C LEU A 15 1.620 22.530 0.265 1.00 0.00 C ATOM 208 O LEU A 15 1.336 23.525 0.911 1.00 0.00 O ATOM 209 CB LEU A 15 3.467 21.084 0.817 1.00 0.00 C ATOM 210 CG LEU A 15 4.189 19.922 1.484 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.759 19.778 2.912 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.866 18.609 0.806 1.00 0.00 C ATOM 0 H LEU A 15 0.729 19.560 1.236 1.00 0.00 H new ATOM 0 HA LEU A 15 1.585 21.348 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.675 21.023 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.929 22.002 1.180 1.00 0.00 H new ATOM 0 HG LEU A 15 5.254 20.141 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.288 18.941 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.990 20.694 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.685 19.594 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.398 17.800 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.793 18.426 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.174 18.653 -0.239 1.00 0.00 H new ATOM 224 N ASN A 16 1.540 22.448 -1.044 1.00 0.00 N ATOM 225 CA ASN A 16 1.058 23.363 -2.014 1.00 0.00 C ATOM 226 C ASN A 16 1.540 24.814 -1.843 1.00 0.00 C ATOM 227 O ASN A 16 0.881 25.762 -2.274 1.00 0.00 O ATOM 228 CB ASN A 16 -0.438 23.126 -2.009 1.00 0.00 C ATOM 229 CG ASN A 16 -1.133 23.885 -3.129 1.00 0.00 C ATOM 230 OD1 ASN A 16 -0.801 23.739 -4.299 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.083 24.739 -2.842 1.00 0.00 N ATOM 0 H ASN A 16 1.867 21.599 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 16 1.474 23.187 -3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.638 22.060 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.852 23.435 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.534 25.270 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.372 24.873 -1.873 1.00 0.00 H new ATOM 238 N ARG A 17 2.701 24.984 -1.191 1.00 0.00 N ATOM 239 CA ARG A 17 3.207 26.275 -0.706 1.00 0.00 C ATOM 240 C ARG A 17 2.134 27.024 0.121 1.00 0.00 C ATOM 241 O ARG A 17 2.053 28.252 0.099 1.00 0.00 O ATOM 242 CB ARG A 17 3.789 27.077 -1.890 1.00 0.00 C ATOM 243 CG ARG A 17 4.869 26.342 -2.721 1.00 0.00 C ATOM 244 CD ARG A 17 4.412 25.312 -3.784 1.00 0.00 C ATOM 245 NE ARG A 17 3.375 25.865 -4.682 1.00 0.00 N ATOM 246 CZ ARG A 17 2.318 25.255 -5.194 1.00 0.00 C ATOM 247 NH1 ARG A 17 2.091 23.977 -5.103 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.418 25.946 -5.831 1.00 0.00 N ATOM 0 H ARG A 17 3.328 24.207 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 17 4.028 26.120 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.971 27.357 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.218 28.002 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.468 27.098 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.530 25.827 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.272 24.995 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.023 24.424 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 17 3.490 26.845 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.752 23.375 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.252 23.577 -5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.528 26.955 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.602 25.479 -6.227 1.00 0.00 H new ATOM 262 N GLU A 18 1.293 26.268 0.838 1.00 0.00 N ATOM 263 CA GLU A 18 0.076 26.664 1.518 1.00 0.00 C ATOM 264 C GLU A 18 0.100 26.174 2.983 1.00 0.00 C ATOM 265 O GLU A 18 -0.034 27.016 3.876 1.00 0.00 O ATOM 266 CB GLU A 18 -1.080 26.041 0.724 1.00 0.00 C ATOM 267 CG GLU A 18 -2.421 26.386 1.360 1.00 0.00 C ATOM 268 CD GLU A 18 -3.646 26.054 0.485 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.508 25.386 -0.567 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.768 26.505 0.820 1.00 0.00 O ATOM 0 H GLU A 18 1.474 25.272 0.962 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.035 27.748 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.057 26.402 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.959 24.958 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.509 25.850 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.435 27.450 1.594 1.00 0.00 H new ATOM 277 N THR A 19 0.333 24.872 3.262 1.00 0.00 N ATOM 278 CA THR A 19 0.609 24.405 4.647 1.00 0.00 C ATOM 279 C THR A 19 2.058 23.939 4.901 1.00 0.00 C ATOM 280 O THR A 19 2.880 23.943 3.981 1.00 0.00 O ATOM 281 CB THR A 19 -0.428 23.377 5.066 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.520 23.336 6.473 1.00 0.00 O ATOM 283 CG2 THR A 19 -0.095 21.980 4.569 1.00 0.00 C ATOM 0 H THR A 19 0.337 24.132 2.560 1.00 0.00 H new ATOM 0 HA THR A 19 0.516 25.279 5.292 1.00 0.00 H new ATOM 0 HB THR A 19 -1.374 23.684 4.620 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.191 22.673 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.867 21.284 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.046 21.983 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.868 21.670 4.974 1.00 0.00 H new ATOM 291 N ASN A 20 2.385 23.543 6.148 1.00 0.00 N ATOM 292 CA ASN A 20 3.794 23.357 6.563 1.00 0.00 C ATOM 293 C ASN A 20 3.952 22.459 7.811 1.00 0.00 C ATOM 294 O ASN A 20 3.075 21.670 8.133 1.00 0.00 O ATOM 295 CB ASN A 20 4.464 24.741 6.833 1.00 0.00 C ATOM 296 CG ASN A 20 4.395 25.783 5.723 1.00 0.00 C ATOM 297 OD1 ASN A 20 3.505 26.621 5.681 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.355 25.806 4.823 1.00 0.00 N ATOM 0 H ASN A 20 1.702 23.347 6.880 1.00 0.00 H new ATOM 0 HA ASN A 20 4.290 22.848 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.006 25.168 7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.514 24.567 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.355 26.520 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.100 25.109 4.854 1.00 0.00 H new ATOM 305 N GLU A 21 5.072 22.529 8.543 1.00 0.00 N ATOM 306 CA GLU A 21 5.363 21.578 9.649 1.00 0.00 C ATOM 307 C GLU A 21 4.310 21.417 10.797 1.00 0.00 C ATOM 308 O GLU A 21 4.261 20.476 11.603 1.00 0.00 O ATOM 309 CB GLU A 21 6.817 21.732 10.064 1.00 0.00 C ATOM 310 CG GLU A 21 7.140 21.487 11.527 1.00 0.00 C ATOM 311 CD GLU A 21 7.027 22.728 12.438 1.00 0.00 C ATOM 312 OE1 GLU A 21 6.136 23.582 12.219 1.00 0.00 O ATOM 313 OE2 GLU A 21 7.843 22.857 13.384 1.00 0.00 O ATOM 0 H GLU A 21 5.798 23.231 8.397 1.00 0.00 H new ATOM 0 HA GLU A 21 5.224 20.578 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.416 21.047 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.138 22.742 9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.471 20.715 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.154 21.094 11.599 1.00 0.00 H new ATOM 320 N LYS A 22 3.449 22.410 10.735 1.00 0.00 N ATOM 321 CA LYS A 22 2.205 22.374 11.518 1.00 0.00 C ATOM 322 C LYS A 22 1.436 21.108 11.173 1.00 0.00 C ATOM 323 O LYS A 22 1.210 20.213 12.000 1.00 0.00 O ATOM 324 CB LYS A 22 1.408 23.638 11.171 1.00 0.00 C ATOM 325 CG LYS A 22 0.057 23.650 11.895 1.00 0.00 C ATOM 326 CD LYS A 22 0.126 24.144 13.343 1.00 0.00 C ATOM 327 CE LYS A 22 0.408 25.645 13.432 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.783 26.473 13.101 1.00 0.00 N ATOM 0 H LYS A 22 3.572 23.246 10.164 1.00 0.00 H new ATOM 0 HA LYS A 22 2.400 22.357 12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.982 24.522 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.248 23.688 10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.635 24.283 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.356 22.641 11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.816 23.923 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.906 23.598 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.746 25.888 14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.222 25.899 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.537 27.481 13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.092 26.264 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.553 26.254 13.764 1.00 0.00 H new ATOM 342 N MET A 23 1.139 21.077 9.861 1.00 0.00 N ATOM 343 CA MET A 23 0.544 19.916 9.265 1.00 0.00 C ATOM 344 C MET A 23 1.453 18.743 9.581 1.00 0.00 C ATOM 345 O MET A 23 0.978 17.629 9.658 1.00 0.00 O ATOM 346 CB MET A 23 0.438 20.100 7.726 1.00 0.00 C ATOM 347 CG MET A 23 1.483 19.342 6.927 1.00 0.00 C ATOM 348 SD MET A 23 1.435 19.106 5.146 1.00 0.00 S ATOM 349 CE MET A 23 -0.233 18.500 4.910 1.00 0.00 C ATOM 0 H MET A 23 1.308 21.848 9.215 1.00 0.00 H new ATOM 0 HA MET A 23 -0.461 19.752 9.655 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.552 19.779 7.402 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.521 21.162 7.493 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.436 19.827 7.141 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.529 18.344 7.362 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.447 18.428 3.844 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.330 17.515 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.939 19.187 5.376 1.00 0.00 H new ATOM 359 N LEU A 24 2.776 18.953 9.543 1.00 0.00 N ATOM 360 CA LEU A 24 3.685 17.818 9.662 1.00 0.00 C ATOM 361 C LEU A 24 3.456 16.983 10.917 1.00 0.00 C ATOM 362 O LEU A 24 2.922 15.868 10.845 1.00 0.00 O ATOM 363 CB LEU A 24 5.165 18.215 9.493 1.00 0.00 C ATOM 364 CG LEU A 24 5.692 18.393 8.056 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.742 17.019 7.501 1.00 0.00 C ATOM 366 CD2 LEU A 24 4.814 19.043 7.015 1.00 0.00 C ATOM 0 H LEU A 24 3.223 19.864 9.435 1.00 0.00 H new ATOM 0 HA LEU A 24 3.437 17.169 8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.326 19.150 10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.775 17.457 9.984 1.00 0.00 H new ATOM 0 HG LEU A 24 6.584 19.006 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.108 17.054 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.412 16.407 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.742 16.585 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.346 19.085 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.901 18.460 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.560 20.054 7.333 1.00 0.00 H new ATOM 378 N LYS A 25 3.812 17.537 12.077 1.00 0.00 N ATOM 379 CA LYS A 25 3.564 16.871 13.351 1.00 0.00 C ATOM 380 C LYS A 25 2.104 16.513 13.521 1.00 0.00 C ATOM 381 O LYS A 25 1.836 15.437 14.045 1.00 0.00 O ATOM 382 CB LYS A 25 4.044 17.729 14.506 1.00 0.00 C ATOM 383 CG LYS A 25 5.589 17.820 14.463 1.00 0.00 C ATOM 384 CD LYS A 25 6.274 17.342 15.748 1.00 0.00 C ATOM 385 CE LYS A 25 6.375 15.808 15.788 1.00 0.00 C ATOM 386 NZ LYS A 25 6.847 15.299 17.105 1.00 0.00 N ATOM 0 H LYS A 25 4.272 18.444 12.158 1.00 0.00 H new ATOM 0 HA LYS A 25 4.131 15.940 13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.607 18.725 14.441 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.719 17.300 15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.955 17.227 13.625 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.877 18.854 14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.271 17.776 15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.714 17.695 16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.399 15.377 15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.057 15.472 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.651 14.656 16.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.145 16.098 17.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.074 14.787 17.576 1.00 0.00 H new ATOM 400 N ALA A 26 1.183 17.337 13.015 1.00 0.00 N ATOM 401 CA ALA A 26 -0.221 16.975 12.966 1.00 0.00 C ATOM 402 C ALA A 26 -0.471 15.606 12.262 1.00 0.00 C ATOM 403 O ALA A 26 -0.633 14.545 12.882 1.00 0.00 O ATOM 404 CB ALA A 26 -0.939 18.134 12.241 1.00 0.00 C ATOM 0 H ALA A 26 1.393 18.260 12.635 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.610 16.836 13.975 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.005 17.916 12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.792 19.059 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.528 18.246 11.238 1.00 0.00 H new ATOM 410 N VAL A 27 -0.427 15.679 10.929 1.00 0.00 N ATOM 411 CA VAL A 27 -0.809 14.573 10.044 1.00 0.00 C ATOM 412 C VAL A 27 -0.081 13.303 10.390 1.00 0.00 C ATOM 413 O VAL A 27 -0.677 12.248 10.573 1.00 0.00 O ATOM 414 CB VAL A 27 -0.417 14.983 8.596 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.122 13.924 7.545 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.414 15.939 8.022 1.00 0.00 C ATOM 0 H VAL A 27 -0.123 16.514 10.429 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.878 14.387 10.149 1.00 0.00 H new ATOM 0 HB VAL A 27 0.564 15.417 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.132 14.408 6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.715 13.309 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.001 13.295 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.117 16.210 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.397 15.469 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.456 16.836 8.640 1.00 0.00 H new ATOM 426 N PHE A 28 1.236 13.394 10.397 1.00 0.00 N ATOM 427 CA PHE A 28 2.061 12.266 10.729 1.00 0.00 C ATOM 428 C PHE A 28 1.934 11.812 12.176 1.00 0.00 C ATOM 429 O PHE A 28 1.787 10.619 12.449 1.00 0.00 O ATOM 430 CB PHE A 28 3.471 12.643 10.326 1.00 0.00 C ATOM 431 CG PHE A 28 3.773 12.891 8.850 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.410 14.103 8.224 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.617 12.007 8.156 1.00 0.00 C ATOM 434 CE1 PHE A 28 3.974 14.465 6.996 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.260 12.427 6.979 1.00 0.00 C ATOM 436 CZ PHE A 28 5.000 13.696 6.448 1.00 0.00 C ATOM 0 H PHE A 28 1.752 14.245 10.174 1.00 0.00 H new ATOM 0 HA PHE A 28 1.732 11.381 10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.741 13.546 10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.136 11.851 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.691 14.756 8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.771 11.005 8.527 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.615 15.339 6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.957 11.768 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.587 14.075 5.624 1.00 0.00 H new ATOM 446 N GLY A 29 2.031 12.754 13.117 1.00 0.00 N ATOM 447 CA GLY A 29 1.805 12.420 14.514 1.00 0.00 C ATOM 448 C GLY A 29 0.472 11.779 14.831 1.00 0.00 C ATOM 449 O GLY A 29 0.333 11.237 15.929 1.00 0.00 O ATOM 0 H GLY A 29 2.260 13.732 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.597 11.746 14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.898 13.331 15.105 1.00 0.00 H new ATOM 453 N LYS A 30 -0.503 11.840 13.904 1.00 0.00 N ATOM 454 CA LYS A 30 -1.802 11.157 14.094 1.00 0.00 C ATOM 455 C LYS A 30 -1.629 9.727 14.632 1.00 0.00 C ATOM 456 O LYS A 30 -2.333 9.322 15.561 1.00 0.00 O ATOM 457 CB LYS A 30 -2.607 11.086 12.796 1.00 0.00 C ATOM 458 CG LYS A 30 -3.149 12.441 12.331 1.00 0.00 C ATOM 459 CD LYS A 30 -4.580 12.717 12.766 1.00 0.00 C ATOM 460 CE LYS A 30 -4.955 14.117 12.263 1.00 0.00 C ATOM 461 NZ LYS A 30 -6.212 14.618 12.883 1.00 0.00 N ATOM 0 H LYS A 30 -0.420 12.349 13.024 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.343 11.757 14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.977 10.668 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.442 10.399 12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.504 13.231 12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.095 12.488 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.257 11.968 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.668 12.664 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.142 14.810 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.070 14.093 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.427 15.566 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.994 13.972 12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.095 14.666 13.915 1.00 0.00 H new ATOM 475 N HIS A 31 -0.642 9.014 14.074 1.00 0.00 N ATOM 476 CA HIS A 31 -0.319 7.647 14.512 1.00 0.00 C ATOM 477 C HIS A 31 1.177 7.335 14.811 1.00 0.00 C ATOM 478 O HIS A 31 1.543 6.157 14.846 1.00 0.00 O ATOM 479 CB HIS A 31 -0.988 6.651 13.533 1.00 0.00 C ATOM 480 CG HIS A 31 -2.286 6.055 14.029 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.143 6.596 14.962 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.859 4.890 13.592 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.199 5.778 15.092 1.00 0.00 C ATOM 484 NE2 HIS A 31 -4.069 4.713 14.280 1.00 0.00 N ATOM 0 H HIS A 31 -0.052 9.360 13.317 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.738 7.531 15.512 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.176 7.161 12.588 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.288 5.842 13.325 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.999 7.470 15.468 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.450 4.223 12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.035 5.950 15.754 1.00 0.00 H new ATOM 492 N GLY A 32 2.066 8.303 15.101 1.00 0.00 N ATOM 493 CA GLY A 32 3.412 7.993 15.572 1.00 0.00 C ATOM 494 C GLY A 32 4.097 9.121 16.363 1.00 0.00 C ATOM 495 O GLY A 32 3.510 10.183 16.576 1.00 0.00 O ATOM 0 H GLY A 32 1.869 9.300 15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.365 7.104 16.201 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.033 7.743 14.712 1.00 0.00 H new ATOM 499 N PRO A 33 5.344 8.885 16.808 1.00 0.00 N ATOM 500 CA PRO A 33 6.147 9.806 17.607 1.00 0.00 C ATOM 501 C PRO A 33 6.703 11.017 16.824 1.00 0.00 C ATOM 502 O PRO A 33 6.312 12.152 17.106 1.00 0.00 O ATOM 503 CB PRO A 33 7.272 8.927 18.188 1.00 0.00 C ATOM 504 CG PRO A 33 7.421 7.776 17.186 1.00 0.00 C ATOM 505 CD PRO A 33 5.987 7.594 16.703 1.00 0.00 C ATOM 0 HA PRO A 33 5.535 10.280 18.375 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.201 9.488 18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.014 8.558 19.180 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.098 8.029 16.370 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.812 6.873 17.656 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.968 7.235 15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.466 6.852 17.309 1.00 0.00 H new ATOM 513 N ILE A 34 7.666 10.773 15.912 1.00 0.00 N ATOM 514 CA ILE A 34 8.220 11.823 15.030 1.00 0.00 C ATOM 515 C ILE A 34 9.428 12.527 15.669 1.00 0.00 C ATOM 516 O ILE A 34 9.248 13.342 16.578 1.00 0.00 O ATOM 517 CB ILE A 34 7.230 12.748 14.285 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.305 12.029 13.298 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.057 13.766 13.479 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.108 11.428 14.018 1.00 0.00 C ATOM 0 H ILE A 34 8.079 9.852 15.766 1.00 0.00 H new ATOM 0 HA ILE A 34 8.591 11.263 14.172 1.00 0.00 H new ATOM 0 HB ILE A 34 6.593 13.199 15.046 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.963 12.730 12.537 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.857 11.243 12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.386 14.435 12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.681 14.347 14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.691 13.238 12.767 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.466 10.923 13.297 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.454 10.710 14.762 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.546 12.220 14.512 1.00 0.00 H new ATOM 532 N SER A 35 10.640 12.211 15.203 1.00 0.00 N ATOM 533 CA SER A 35 11.894 12.823 15.660 1.00 0.00 C ATOM 534 C SER A 35 12.677 13.506 14.530 1.00 0.00 C ATOM 535 O SER A 35 13.757 14.043 14.787 1.00 0.00 O ATOM 536 CB SER A 35 12.744 11.796 16.420 1.00 0.00 C ATOM 537 OG SER A 35 12.248 11.681 17.744 1.00 0.00 O ATOM 0 H SER A 35 10.781 11.506 14.480 1.00 0.00 H new ATOM 0 HA SER A 35 11.632 13.625 16.350 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.706 10.829 15.918 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.789 12.107 16.434 1.00 0.00 H new ATOM 0 HG SER A 35 12.783 11.026 18.238 1.00 0.00 H new ATOM 543 N GLU A 36 12.151 13.562 13.294 1.00 0.00 N ATOM 544 CA GLU A 36 12.738 14.415 12.236 1.00 0.00 C ATOM 545 C GLU A 36 11.661 15.012 11.319 1.00 0.00 C ATOM 546 O GLU A 36 10.750 14.290 10.922 1.00 0.00 O ATOM 547 CB GLU A 36 13.773 13.615 11.423 1.00 0.00 C ATOM 548 CG GLU A 36 14.980 14.408 10.902 1.00 0.00 C ATOM 549 CD GLU A 36 14.628 15.383 9.766 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.218 14.917 8.675 1.00 0.00 O ATOM 551 OE2 GLU A 36 14.776 16.610 9.968 1.00 0.00 O ATOM 0 H GLU A 36 11.329 13.034 13.001 1.00 0.00 H new ATOM 0 HA GLU A 36 13.242 15.251 12.721 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.141 12.799 12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.265 13.163 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.421 14.968 11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.739 13.710 10.549 1.00 0.00 H new ATOM 558 N VAL A 37 11.761 16.303 10.970 1.00 0.00 N ATOM 559 CA VAL A 37 10.763 17.033 10.161 1.00 0.00 C ATOM 560 C VAL A 37 11.434 17.886 9.073 1.00 0.00 C ATOM 561 O VAL A 37 12.260 18.754 9.364 1.00 0.00 O ATOM 562 CB VAL A 37 9.853 17.921 11.038 1.00 0.00 C ATOM 563 CG1 VAL A 37 8.683 18.439 10.194 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.262 17.195 12.255 1.00 0.00 C ATOM 0 H VAL A 37 12.553 16.884 11.246 1.00 0.00 H new ATOM 0 HA VAL A 37 10.143 16.278 9.678 1.00 0.00 H new ATOM 0 HB VAL A 37 10.487 18.727 11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.039 19.066 10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.068 19.025 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.109 17.595 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.635 17.884 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.661 16.351 11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.070 16.834 12.891 1.00 0.00 H new ATOM 574 N LEU A 38 11.047 17.647 7.817 1.00 0.00 N ATOM 575 CA LEU A 38 11.674 18.149 6.590 1.00 0.00 C ATOM 576 C LEU A 38 10.660 18.674 5.563 1.00 0.00 C ATOM 577 O LEU A 38 9.630 18.042 5.356 1.00 0.00 O ATOM 578 CB LEU A 38 12.443 17.003 5.921 1.00 0.00 C ATOM 579 CG LEU A 38 13.436 17.437 4.837 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.634 18.181 5.390 1.00 0.00 C ATOM 581 CD2 LEU A 38 14.023 16.211 4.163 1.00 0.00 C ATOM 0 H LEU A 38 10.237 17.061 7.617 1.00 0.00 H new ATOM 0 HA LEU A 38 12.321 18.974 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.985 16.451 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.725 16.312 5.479 1.00 0.00 H new ATOM 0 HG LEU A 38 12.868 18.080 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.298 18.460 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.297 19.080 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.170 17.539 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.729 16.522 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.540 15.601 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.223 15.628 3.708 1.00 0.00 H new ATOM 593 N LEU A 39 10.944 19.803 4.913 1.00 0.00 N ATOM 594 CA LEU A 39 10.216 20.253 3.715 1.00 0.00 C ATOM 595 C LEU A 39 11.199 20.595 2.586 1.00 0.00 C ATOM 596 O LEU A 39 12.244 21.197 2.839 1.00 0.00 O ATOM 597 CB LEU A 39 9.140 21.318 3.989 1.00 0.00 C ATOM 598 CG LEU A 39 9.606 22.766 4.200 1.00 0.00 C ATOM 599 CD1 LEU A 39 8.398 23.690 4.049 1.00 0.00 C ATOM 600 CD2 LEU A 39 10.219 22.981 5.582 1.00 0.00 C ATOM 0 H LEU A 39 11.689 20.438 5.200 1.00 0.00 H new ATOM 0 HA LEU A 39 9.617 19.414 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.439 21.309 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.584 21.012 4.875 1.00 0.00 H new ATOM 0 HG LEU A 39 10.374 22.985 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.710 24.724 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.976 23.577 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.645 23.429 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.533 24.020 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.479 22.749 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.083 22.327 5.703 1.00 0.00 H new ATOM 612 N ILE A 40 10.892 20.146 1.366 1.00 0.00 N ATOM 613 CA ILE A 40 11.852 20.135 0.267 1.00 0.00 C ATOM 614 C ILE A 40 11.516 21.249 -0.723 1.00 0.00 C ATOM 615 O ILE A 40 10.325 21.436 -1.049 1.00 0.00 O ATOM 616 CB ILE A 40 11.834 18.773 -0.454 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.969 17.537 0.461 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.934 18.741 -1.532 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.299 17.388 1.176 1.00 0.00 C ATOM 0 H ILE A 40 9.973 19.782 1.116 1.00 0.00 H new ATOM 0 HA ILE A 40 12.850 20.300 0.674 1.00 0.00 H new ATOM 0 HB ILE A 40 10.840 18.697 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.178 17.574 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.798 16.643 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.918 17.776 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.756 19.535 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.907 18.888 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.283 16.488 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.101 17.312 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.470 18.257 1.811 1.00 0.00 H new ATOM 631 N LYS A 41 12.622 21.925 -1.104 1.00 0.00 N ATOM 632 CA LYS A 41 12.599 23.106 -1.990 1.00 0.00 C ATOM 633 C LYS A 41 13.521 22.860 -3.226 1.00 0.00 C ATOM 634 O LYS A 41 13.461 21.798 -3.844 1.00 0.00 O ATOM 635 CB LYS A 41 12.996 24.331 -1.122 1.00 0.00 C ATOM 636 CG LYS A 41 11.928 24.730 -0.080 1.00 0.00 C ATOM 637 CD LYS A 41 12.505 25.278 1.234 1.00 0.00 C ATOM 638 CE LYS A 41 12.899 24.129 2.173 1.00 0.00 C ATOM 639 NZ LYS A 41 13.539 24.625 3.419 1.00 0.00 N ATOM 0 H LYS A 41 13.561 21.664 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 41 11.612 23.299 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.930 24.111 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.187 25.181 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.273 25.483 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.310 23.860 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.377 25.898 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.769 25.917 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.013 23.548 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.584 23.457 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.790 23.818 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.399 25.158 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.877 25.246 3.926 1.00 0.00 H new ATOM 653 N ASP A 42 14.337 23.847 -3.599 1.00 0.00 N ATOM 654 CA ASP A 42 15.175 24.004 -4.819 1.00 0.00 C ATOM 655 C ASP A 42 16.087 25.221 -4.567 1.00 0.00 C ATOM 656 O ASP A 42 15.612 26.156 -3.933 1.00 0.00 O ATOM 657 CB ASP A 42 14.324 24.230 -6.084 1.00 0.00 C ATOM 658 CG ASP A 42 13.006 25.047 -6.012 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.335 25.109 -4.954 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.646 25.669 -7.038 1.00 0.00 O ATOM 0 H ASP A 42 14.449 24.658 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 42 15.748 23.094 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.964 24.717 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.072 23.247 -6.482 1.00 0.00 H new ATOM 665 N ARG A 43 17.375 25.264 -4.969 1.00 0.00 N ATOM 666 CA ARG A 43 18.370 26.330 -4.605 1.00 0.00 C ATOM 667 C ARG A 43 18.519 26.600 -3.106 1.00 0.00 C ATOM 668 O ARG A 43 19.190 27.556 -2.763 1.00 0.00 O ATOM 669 CB ARG A 43 18.036 27.635 -5.379 1.00 0.00 C ATOM 670 CG ARG A 43 18.833 28.964 -5.213 1.00 0.00 C ATOM 671 CD ARG A 43 18.073 30.176 -4.600 1.00 0.00 C ATOM 672 NE ARG A 43 18.301 30.212 -3.145 1.00 0.00 N ATOM 673 CZ ARG A 43 17.875 31.102 -2.273 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.955 31.979 -2.535 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.372 31.156 -1.081 1.00 0.00 N ATOM 0 H ARG A 43 17.776 24.545 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 43 19.345 25.946 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.079 27.382 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.997 27.870 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.704 28.760 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.206 29.260 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.418 31.104 -5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.007 30.095 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 43 18.861 29.449 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.521 32.003 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.666 32.644 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.105 30.503 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.031 31.851 -0.417 1.00 0.00 H new ATOM 689 N THR A 44 17.839 25.842 -2.239 1.00 0.00 N ATOM 690 CA THR A 44 17.710 26.239 -0.822 1.00 0.00 C ATOM 691 C THR A 44 16.721 27.415 -0.644 1.00 0.00 C ATOM 692 O THR A 44 16.474 27.811 0.493 1.00 0.00 O ATOM 693 CB THR A 44 19.038 26.271 -0.022 1.00 0.00 C ATOM 694 OG1 THR A 44 18.792 25.972 1.341 1.00 0.00 O ATOM 695 CG2 THR A 44 19.837 27.573 -0.084 1.00 0.00 C ATOM 0 H THR A 44 17.376 24.966 -2.481 1.00 0.00 H new ATOM 0 HA THR A 44 17.222 25.418 -0.296 1.00 0.00 H new ATOM 0 HB THR A 44 19.654 25.518 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.999 26.461 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.743 27.473 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.106 27.786 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.232 28.390 0.309 1.00 0.00 H new ATOM 703 N SER A 45 16.157 27.869 -1.795 1.00 0.00 N ATOM 704 CA SER A 45 14.936 28.705 -1.834 1.00 0.00 C ATOM 705 C SER A 45 14.535 29.357 -3.199 1.00 0.00 C ATOM 706 O SER A 45 14.034 30.483 -3.243 1.00 0.00 O ATOM 707 CB SER A 45 14.619 29.551 -0.581 1.00 0.00 C ATOM 708 OG SER A 45 13.392 30.258 -0.642 1.00 0.00 O ATOM 0 H SER A 45 16.539 27.664 -2.718 1.00 0.00 H new ATOM 0 HA SER A 45 14.204 27.900 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.603 28.895 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.428 30.265 -0.427 1.00 0.00 H new ATOM 0 HG SER A 45 13.301 30.679 -1.522 1.00 0.00 H new ATOM 714 N LYS A 46 14.772 28.687 -4.346 1.00 0.00 N ATOM 715 CA LYS A 46 14.018 28.979 -5.607 1.00 0.00 C ATOM 716 C LYS A 46 12.492 28.871 -5.227 1.00 0.00 C ATOM 717 O LYS A 46 11.717 29.762 -5.580 1.00 0.00 O ATOM 718 CB LYS A 46 14.445 28.050 -6.758 1.00 0.00 C ATOM 719 CG LYS A 46 15.639 28.496 -7.639 1.00 0.00 C ATOM 720 CD LYS A 46 16.208 27.269 -8.388 1.00 0.00 C ATOM 721 CE LYS A 46 17.320 27.483 -9.443 1.00 0.00 C ATOM 722 NZ LYS A 46 18.717 27.576 -8.941 1.00 0.00 N ATOM 0 H LYS A 46 15.468 27.947 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 46 14.233 29.976 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.688 27.077 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.583 27.905 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.316 29.254 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.413 28.950 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.593 26.576 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.375 26.771 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.271 26.662 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.095 28.398 -9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.365 27.719 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.797 28.378 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.967 26.696 -8.446 1.00 0.00 H new ATOM 736 N SER A 47 12.153 27.850 -4.396 1.00 0.00 N ATOM 737 CA SER A 47 10.916 27.847 -3.572 1.00 0.00 C ATOM 738 C SER A 47 9.622 27.119 -3.997 1.00 0.00 C ATOM 739 O SER A 47 8.737 27.692 -4.637 1.00 0.00 O ATOM 740 CB SER A 47 10.596 29.212 -2.943 1.00 0.00 C ATOM 741 OG SER A 47 9.852 29.016 -1.750 1.00 0.00 O ATOM 0 H SER A 47 12.724 27.013 -4.279 1.00 0.00 H new ATOM 0 HA SER A 47 11.286 27.123 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.519 29.750 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.027 29.824 -3.643 1.00 0.00 H new ATOM 0 HG SER A 47 9.648 29.885 -1.345 1.00 0.00 H new ATOM 747 N ARG A 48 9.508 25.840 -3.577 1.00 0.00 N ATOM 748 CA ARG A 48 8.312 24.986 -3.527 1.00 0.00 C ATOM 749 C ARG A 48 8.276 24.278 -2.157 1.00 0.00 C ATOM 750 O ARG A 48 9.113 24.540 -1.297 1.00 0.00 O ATOM 751 CB ARG A 48 8.240 24.027 -4.710 1.00 0.00 C ATOM 752 CG ARG A 48 9.237 22.894 -4.540 1.00 0.00 C ATOM 753 CD ARG A 48 9.572 22.326 -5.890 1.00 0.00 C ATOM 754 NE ARG A 48 8.812 21.118 -6.269 1.00 0.00 N ATOM 755 CZ ARG A 48 8.416 20.787 -7.484 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.590 21.557 -8.521 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.817 19.657 -7.688 1.00 0.00 N ATOM 0 H ARG A 48 10.328 25.339 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 48 7.415 25.598 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.232 23.622 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.447 24.565 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.140 23.258 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.818 22.118 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.400 23.095 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.636 22.089 -5.913 1.00 0.00 H new ATOM 0 HE ARG A 48 8.568 20.474 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.050 22.461 -8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.266 21.256 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.650 19.020 -6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.512 19.404 -8.628 1.00 0.00 H new ATOM 771 N GLY A 49 7.287 23.426 -1.938 1.00 0.00 N ATOM 772 CA GLY A 49 7.144 22.591 -0.729 1.00 0.00 C ATOM 773 C GLY A 49 6.754 21.120 -0.943 1.00 0.00 C ATOM 774 O GLY A 49 5.690 20.868 -1.494 1.00 0.00 O ATOM 0 H GLY A 49 6.533 23.283 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.089 22.616 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.394 23.051 -0.086 1.00 0.00 H new ATOM 778 N PHE A 50 7.599 20.152 -0.573 1.00 0.00 N ATOM 779 CA PHE A 50 7.160 18.722 -0.409 1.00 0.00 C ATOM 780 C PHE A 50 7.760 18.078 0.843 1.00 0.00 C ATOM 781 O PHE A 50 8.928 18.333 1.072 1.00 0.00 O ATOM 782 CB PHE A 50 7.198 17.928 -1.680 1.00 0.00 C ATOM 783 CG PHE A 50 8.517 17.605 -2.257 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.187 18.579 -3.011 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.981 16.294 -2.149 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.372 18.237 -3.672 1.00 0.00 C ATOM 787 CE2 PHE A 50 10.206 15.975 -2.745 1.00 0.00 C ATOM 788 CZ PHE A 50 10.869 16.931 -3.532 1.00 0.00 C ATOM 0 H PHE A 50 8.588 20.309 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 50 6.090 18.722 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.672 16.990 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.630 18.475 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.793 19.582 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.410 15.545 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.894 18.963 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.640 14.997 -2.600 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.781 16.656 -4.041 1.00 0.00 H new ATOM 798 N ALA A 51 7.058 17.318 1.697 1.00 0.00 N ATOM 799 CA ALA A 51 7.589 17.090 3.059 1.00 0.00 C ATOM 800 C ALA A 51 7.885 15.678 3.514 1.00 0.00 C ATOM 801 O ALA A 51 7.118 14.753 3.291 1.00 0.00 O ATOM 802 CB ALA A 51 6.700 17.853 4.036 1.00 0.00 C ATOM 0 H ALA A 51 6.166 16.869 1.490 1.00 0.00 H new ATOM 0 HA ALA A 51 8.610 17.472 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.066 17.705 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.721 18.916 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.677 17.484 3.961 1.00 0.00 H new ATOM 808 N PHE A 52 9.046 15.536 4.152 1.00 0.00 N ATOM 809 CA PHE A 52 9.542 14.282 4.669 1.00 0.00 C ATOM 810 C PHE A 52 9.451 14.210 6.210 1.00 0.00 C ATOM 811 O PHE A 52 9.865 15.175 6.855 1.00 0.00 O ATOM 812 CB PHE A 52 10.920 13.966 4.155 1.00 0.00 C ATOM 813 CG PHE A 52 10.897 13.534 2.718 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.891 14.535 1.750 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.784 12.182 2.353 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.734 14.194 0.400 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.659 11.843 0.994 1.00 0.00 C ATOM 818 CZ PHE A 52 10.608 12.850 0.020 1.00 0.00 C ATOM 0 H PHE A 52 9.678 16.318 4.323 1.00 0.00 H new ATOM 0 HA PHE A 52 8.885 13.500 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.557 14.845 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.362 13.178 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.007 15.569 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.793 11.411 3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.710 14.970 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.602 10.805 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.472 12.592 -1.020 1.00 0.00 H new ATOM 828 N ILE A 53 8.993 13.115 6.845 1.00 0.00 N ATOM 829 CA ILE A 53 9.075 13.009 8.328 1.00 0.00 C ATOM 830 C ILE A 53 9.719 11.685 8.741 1.00 0.00 C ATOM 831 O ILE A 53 9.372 10.652 8.174 1.00 0.00 O ATOM 832 CB ILE A 53 7.706 13.287 9.008 1.00 0.00 C ATOM 833 CG1 ILE A 53 7.677 14.577 9.838 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.233 12.123 9.890 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.277 15.013 10.319 1.00 0.00 C ATOM 0 H ILE A 53 8.574 12.310 6.379 1.00 0.00 H new ATOM 0 HA ILE A 53 9.733 13.796 8.696 1.00 0.00 H new ATOM 0 HB ILE A 53 7.020 13.406 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.319 14.445 10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.108 15.383 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.272 12.374 10.339 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.126 11.225 9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.965 11.942 10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.361 15.934 10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.633 15.183 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.847 14.231 10.944 1.00 0.00 H new ATOM 847 N THR A 54 10.645 11.700 9.705 1.00 0.00 N ATOM 848 CA THR A 54 11.207 10.464 10.279 1.00 0.00 C ATOM 849 C THR A 54 10.610 10.222 11.657 1.00 0.00 C ATOM 850 O THR A 54 10.583 11.112 12.525 1.00 0.00 O ATOM 851 CB THR A 54 12.737 10.460 10.437 1.00 0.00 C ATOM 852 OG1 THR A 54 13.383 10.947 9.286 1.00 0.00 O ATOM 853 CG2 THR A 54 13.313 9.062 10.655 1.00 0.00 C ATOM 0 H THR A 54 11.025 12.556 10.108 1.00 0.00 H new ATOM 0 HA THR A 54 10.952 9.682 9.564 1.00 0.00 H new ATOM 0 HB THR A 54 12.914 11.093 11.307 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.353 10.931 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.396 9.127 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.887 8.630 11.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.068 8.430 9.801 1.00 0.00 H new ATOM 861 N PHE A 55 10.206 8.963 11.833 1.00 0.00 N ATOM 862 CA PHE A 55 9.601 8.364 13.011 1.00 0.00 C ATOM 863 C PHE A 55 10.648 7.502 13.716 1.00 0.00 C ATOM 864 O PHE A 55 11.333 6.694 13.083 1.00 0.00 O ATOM 865 CB PHE A 55 8.468 7.415 12.578 1.00 0.00 C ATOM 866 CG PHE A 55 7.264 8.073 11.951 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.236 8.330 10.572 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.147 8.387 12.738 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.112 8.936 9.999 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.005 8.951 12.155 1.00 0.00 C ATOM 871 CZ PHE A 55 4.992 9.242 10.784 1.00 0.00 C ATOM 0 H PHE A 55 10.306 8.279 11.083 1.00 0.00 H new ATOM 0 HA PHE A 55 9.225 9.155 13.660 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.875 6.694 11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.137 6.852 13.451 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.080 8.061 9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.167 8.193 13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.108 9.169 8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.136 9.161 12.761 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.123 9.700 10.335 1.00 0.00 H new ATOM 881 N GLU A 56 10.727 7.655 15.038 1.00 0.00 N ATOM 882 CA GLU A 56 11.565 6.789 15.882 1.00 0.00 C ATOM 883 C GLU A 56 11.482 5.261 15.604 1.00 0.00 C ATOM 884 O GLU A 56 12.475 4.570 15.842 1.00 0.00 O ATOM 885 CB GLU A 56 11.289 7.106 17.361 1.00 0.00 C ATOM 886 CG GLU A 56 11.342 8.608 17.686 1.00 0.00 C ATOM 887 CD GLU A 56 11.422 8.832 19.212 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.374 8.781 19.899 1.00 0.00 O ATOM 889 OE2 GLU A 56 12.544 9.044 19.737 1.00 0.00 O ATOM 0 H GLU A 56 10.219 8.374 15.554 1.00 0.00 H new ATOM 0 HA GLU A 56 12.594 7.030 15.613 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.306 6.718 17.630 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.019 6.583 17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.207 9.060 17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.457 9.103 17.286 1.00 0.00 H new ATOM 896 N ASN A 57 10.370 4.736 15.055 1.00 0.00 N ATOM 897 CA ASN A 57 10.321 3.349 14.544 1.00 0.00 C ATOM 898 C ASN A 57 9.586 3.258 13.184 1.00 0.00 C ATOM 899 O ASN A 57 8.643 4.018 12.934 1.00 0.00 O ATOM 900 CB ASN A 57 9.637 2.412 15.560 1.00 0.00 C ATOM 901 CG ASN A 57 10.061 2.603 17.006 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.087 2.109 17.454 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.266 3.292 17.787 1.00 0.00 N ATOM 0 H ASN A 57 9.494 5.249 14.953 1.00 0.00 H new ATOM 0 HA ASN A 57 11.354 3.032 14.397 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.559 2.555 15.493 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.840 1.380 15.272 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.502 3.418 18.771 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.412 3.703 17.411 1.00 0.00 H new ATOM 910 N PRO A 58 9.935 2.272 12.332 1.00 0.00 N ATOM 911 CA PRO A 58 9.278 2.008 11.042 1.00 0.00 C ATOM 912 C PRO A 58 7.815 1.577 11.216 1.00 0.00 C ATOM 913 O PRO A 58 6.948 1.934 10.415 1.00 0.00 O ATOM 914 CB PRO A 58 10.114 0.906 10.378 1.00 0.00 C ATOM 915 CG PRO A 58 10.731 0.180 11.573 1.00 0.00 C ATOM 916 CD PRO A 58 10.979 1.291 12.576 1.00 0.00 C ATOM 0 HA PRO A 58 9.236 2.909 10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.498 0.240 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.877 1.319 9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.058 -0.578 11.973 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.656 -0.327 11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.933 0.915 13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.968 1.728 12.441 1.00 0.00 H new ATOM 924 N ALA A 59 7.547 0.866 12.315 1.00 0.00 N ATOM 925 CA ALA A 59 6.188 0.591 12.761 1.00 0.00 C ATOM 926 C ALA A 59 5.291 1.825 12.690 1.00 0.00 C ATOM 927 O ALA A 59 4.256 1.850 12.031 1.00 0.00 O ATOM 928 CB ALA A 59 6.299 0.162 14.233 1.00 0.00 C ATOM 0 H ALA A 59 8.268 0.468 12.916 1.00 0.00 H new ATOM 0 HA ALA A 59 5.745 -0.170 12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.306 -0.058 14.624 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.923 -0.728 14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.747 0.968 14.814 1.00 0.00 H new ATOM 934 N ASP A 60 5.705 2.827 13.450 1.00 0.00 N ATOM 935 CA ASP A 60 4.970 4.061 13.572 1.00 0.00 C ATOM 936 C ASP A 60 4.812 4.847 12.261 1.00 0.00 C ATOM 937 O ASP A 60 3.777 5.462 12.006 1.00 0.00 O ATOM 938 CB ASP A 60 5.619 4.861 14.674 1.00 0.00 C ATOM 939 CG ASP A 60 5.788 4.123 16.011 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.806 3.527 16.515 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.905 4.172 16.572 1.00 0.00 O ATOM 0 H ASP A 60 6.564 2.800 13.999 1.00 0.00 H new ATOM 0 HA ASP A 60 3.936 3.832 13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.601 5.189 14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.025 5.759 14.846 1.00 0.00 H new ATOM 946 N ALA A 61 5.850 4.800 11.423 1.00 0.00 N ATOM 947 CA ALA A 61 5.760 5.317 10.056 1.00 0.00 C ATOM 948 C ALA A 61 4.606 4.680 9.278 1.00 0.00 C ATOM 949 O ALA A 61 3.763 5.358 8.690 1.00 0.00 O ATOM 950 CB ALA A 61 7.109 5.052 9.372 1.00 0.00 C ATOM 0 H ALA A 61 6.761 4.410 11.666 1.00 0.00 H new ATOM 0 HA ALA A 61 5.549 6.386 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.078 5.426 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.901 5.562 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.307 3.980 9.361 1.00 0.00 H new ATOM 956 N LYS A 62 4.605 3.349 9.267 1.00 0.00 N ATOM 957 CA LYS A 62 3.548 2.515 8.657 1.00 0.00 C ATOM 958 C LYS A 62 2.162 2.833 9.209 1.00 0.00 C ATOM 959 O LYS A 62 1.184 2.912 8.478 1.00 0.00 O ATOM 960 CB LYS A 62 3.906 1.022 8.755 1.00 0.00 C ATOM 961 CG LYS A 62 2.964 0.138 7.919 1.00 0.00 C ATOM 962 CD LYS A 62 3.405 -1.331 7.968 1.00 0.00 C ATOM 963 CE LYS A 62 2.457 -2.193 7.123 1.00 0.00 C ATOM 964 NZ LYS A 62 2.836 -3.630 7.171 1.00 0.00 N ATOM 0 H LYS A 62 5.353 2.798 9.689 1.00 0.00 H new ATOM 0 HA LYS A 62 3.498 2.765 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.932 0.874 8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.864 0.709 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.945 0.229 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.955 0.485 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.425 -1.426 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.408 -1.684 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.436 -2.073 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.472 -1.846 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.175 -4.183 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.802 -3.747 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.797 -3.967 8.154 1.00 0.00 H new ATOM 978 N ASN A 63 2.104 2.977 10.523 1.00 0.00 N ATOM 979 CA ASN A 63 0.900 3.390 11.216 1.00 0.00 C ATOM 980 C ASN A 63 0.335 4.714 10.704 1.00 0.00 C ATOM 981 O ASN A 63 -0.785 4.744 10.207 1.00 0.00 O ATOM 982 CB ASN A 63 1.318 3.430 12.680 1.00 0.00 C ATOM 983 CG ASN A 63 0.248 3.092 13.683 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.687 2.346 13.434 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.415 3.562 14.889 1.00 0.00 N ATOM 0 H ASN A 63 2.898 2.809 11.141 1.00 0.00 H new ATOM 0 HA ASN A 63 0.070 2.704 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.149 2.738 12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.694 4.429 12.902 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.237 3.307 15.631 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.198 4.184 15.090 1.00 0.00 H new ATOM 992 N ALA A 64 1.123 5.791 10.806 1.00 0.00 N ATOM 993 CA ALA A 64 0.742 7.088 10.253 1.00 0.00 C ATOM 994 C ALA A 64 0.409 7.014 8.749 1.00 0.00 C ATOM 995 O ALA A 64 -0.551 7.639 8.306 1.00 0.00 O ATOM 996 CB ALA A 64 1.826 8.094 10.646 1.00 0.00 C ATOM 0 H ALA A 64 2.032 5.785 11.269 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.200 7.436 10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.572 9.076 10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.894 8.149 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.785 7.774 10.238 1.00 0.00 H new ATOM 1002 N ALA A 65 1.131 6.208 7.961 1.00 0.00 N ATOM 1003 CA ALA A 65 0.723 5.895 6.589 1.00 0.00 C ATOM 1004 C ALA A 65 -0.699 5.313 6.515 1.00 0.00 C ATOM 1005 O ALA A 65 -1.589 5.934 5.948 1.00 0.00 O ATOM 1006 CB ALA A 65 1.766 4.999 5.905 1.00 0.00 C ATOM 0 H ALA A 65 2.001 5.761 8.252 1.00 0.00 H new ATOM 0 HA ALA A 65 0.681 6.832 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.444 4.778 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.726 5.514 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.868 4.068 6.463 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.914 4.139 7.108 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.147 3.333 7.072 1.00 0.00 C ATOM 1014 C LYS A 66 -3.353 4.136 7.544 1.00 0.00 C ATOM 1015 O LYS A 66 -4.450 4.029 6.997 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.930 2.046 7.890 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.148 1.106 7.891 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.822 -0.204 8.627 1.00 0.00 C ATOM 1019 CE LYS A 66 -4.048 -1.112 8.813 1.00 0.00 C ATOM 1020 NZ LYS A 66 -4.611 -1.592 7.521 1.00 0.00 N ATOM 0 H LYS A 66 -0.187 3.691 7.665 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.368 3.049 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.069 1.511 7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.688 2.315 8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.993 1.598 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.447 0.888 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.057 -0.746 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.399 0.031 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.769 -1.971 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.818 -0.568 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.435 -2.199 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.904 -0.777 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.888 -2.136 7.008 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.120 4.934 8.579 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.067 5.960 9.000 1.00 0.00 C ATOM 1036 C ASP A 67 -4.450 6.942 7.881 1.00 0.00 C ATOM 1037 O ASP A 67 -5.614 7.115 7.511 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.387 6.765 10.117 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.372 7.546 11.002 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.571 7.658 10.644 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.947 8.069 12.053 1.00 0.00 O ATOM 0 H ASP A 67 -2.274 4.889 9.148 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.983 5.461 9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.810 6.085 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.680 7.464 9.670 1.00 0.00 H new ATOM 1046 N MET A 68 -3.403 7.650 7.466 1.00 0.00 N ATOM 1047 CA MET A 68 -3.545 8.842 6.611 1.00 0.00 C ATOM 1048 C MET A 68 -3.889 8.526 5.156 1.00 0.00 C ATOM 1049 O MET A 68 -5.064 8.532 4.796 1.00 0.00 O ATOM 1050 CB MET A 68 -2.404 9.829 6.840 1.00 0.00 C ATOM 1051 CG MET A 68 -2.321 10.314 8.299 1.00 0.00 C ATOM 1052 SD MET A 68 -3.846 10.933 9.073 1.00 0.00 S ATOM 1053 CE MET A 68 -3.876 12.645 8.491 1.00 0.00 C ATOM 0 H MET A 68 -2.438 7.423 7.706 1.00 0.00 H new ATOM 0 HA MET A 68 -4.440 9.375 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.461 9.358 6.564 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.535 10.689 6.183 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.948 9.489 8.906 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.575 11.107 8.347 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.387 13.269 9.224 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.855 13.002 8.359 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.404 12.696 7.539 1.00 0.00 H new ATOM 1063 N ASN A 69 -2.865 8.245 4.333 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.049 7.619 3.014 1.00 0.00 C ATOM 1065 C ASN A 69 -4.259 8.040 2.148 1.00 0.00 C ATOM 1066 O ASN A 69 -5.014 7.208 1.641 1.00 0.00 O ATOM 1067 CB ASN A 69 -2.821 6.104 3.179 1.00 0.00 C ATOM 1068 CG ASN A 69 -3.872 5.232 3.866 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -3.746 4.014 3.879 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -4.929 5.761 4.434 1.00 0.00 N ATOM 0 H ASN A 69 -1.891 8.444 4.562 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.292 8.043 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.663 5.692 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.888 5.977 3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.626 5.160 4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.055 6.773 4.435 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.432 9.354 1.994 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.522 9.978 1.235 1.00 0.00 C ATOM 1079 C GLY A 70 -6.639 10.577 2.074 1.00 0.00 C ATOM 1080 O GLY A 70 -7.802 10.601 1.661 1.00 0.00 O ATOM 0 H GLY A 70 -3.797 10.037 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.102 10.763 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.952 9.231 0.568 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.246 11.081 3.246 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.119 11.923 4.051 1.00 0.00 C ATOM 1086 C LYS A 71 -6.918 13.370 3.563 1.00 0.00 C ATOM 1087 O LYS A 71 -6.247 13.612 2.555 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.698 11.642 5.497 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.727 12.095 6.553 1.00 0.00 C ATOM 1090 CD LYS A 71 -7.424 11.639 7.990 1.00 0.00 C ATOM 1091 CE LYS A 71 -7.245 10.119 8.152 1.00 0.00 C ATOM 1092 NZ LYS A 71 -6.973 9.759 9.568 1.00 0.00 N ATOM 0 H LYS A 71 -5.326 10.917 3.655 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.190 11.734 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.523 10.572 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.750 12.143 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.786 13.183 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.709 11.718 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.517 12.138 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.234 11.968 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.143 9.606 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.423 9.778 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.470 8.850 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.387 10.497 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.872 9.678 10.084 1.00 0.00 H new ATOM 1106 N SER A 72 -7.493 14.358 4.234 1.00 0.00 N ATOM 1107 CA SER A 72 -7.539 15.720 3.711 1.00 0.00 C ATOM 1108 C SER A 72 -7.746 16.694 4.846 1.00 0.00 C ATOM 1109 O SER A 72 -8.576 16.458 5.730 1.00 0.00 O ATOM 1110 CB SER A 72 -8.665 15.805 2.676 1.00 0.00 C ATOM 1111 OG SER A 72 -8.765 17.102 2.118 1.00 0.00 O ATOM 0 H SER A 72 -7.936 14.243 5.145 1.00 0.00 H new ATOM 0 HA SER A 72 -6.599 15.980 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.485 15.080 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.612 15.536 3.145 1.00 0.00 H new ATOM 0 HG SER A 72 -9.492 17.120 1.461 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.929 17.747 4.846 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.819 18.605 6.036 1.00 0.00 C ATOM 1119 C LEU A 73 -6.251 20.015 5.859 1.00 0.00 C ATOM 1120 O LEU A 73 -6.527 20.869 6.702 1.00 0.00 O ATOM 1121 CB LEU A 73 -6.077 17.836 7.156 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.589 17.447 7.026 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -4.162 16.601 5.835 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.619 18.645 7.116 1.00 0.00 C ATOM 0 H LEU A 73 -6.344 18.026 4.058 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.854 18.817 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.169 18.433 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.631 16.913 7.325 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.513 16.802 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.089 16.414 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.697 15.652 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.393 17.131 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.593 18.291 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.838 19.352 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.740 19.139 8.080 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.524 20.302 4.775 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.982 21.646 4.517 1.00 0.00 C ATOM 1138 C HIS A 74 -5.903 22.438 3.555 1.00 0.00 C ATOM 1139 O HIS A 74 -5.469 23.270 2.761 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.471 21.554 4.180 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.994 21.687 2.760 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.410 20.751 1.920 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.686 22.906 2.256 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.805 21.420 0.913 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.959 22.735 1.087 1.00 0.00 N ATOM 0 H HIS A 74 -5.294 19.617 4.055 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.998 22.269 5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.965 22.324 4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.118 20.591 4.549 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.433 19.738 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.961 23.855 2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.276 20.960 0.091 1.00 0.00 H new ATOM 1153 N GLY A 75 -7.213 22.156 3.611 1.00 0.00 N ATOM 1154 CA GLY A 75 -8.149 22.578 2.558 1.00 0.00 C ATOM 1155 C GLY A 75 -7.924 21.777 1.260 1.00 0.00 C ATOM 1156 O GLY A 75 -8.391 22.188 0.194 1.00 0.00 O ATOM 0 H GLY A 75 -7.648 21.638 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.174 22.439 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.021 23.642 2.359 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.174 20.663 1.376 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.681 19.901 0.229 1.00 0.00 C ATOM 1162 C LYS A 76 -6.258 18.553 0.799 1.00 0.00 C ATOM 1163 O LYS A 76 -5.980 18.413 2.001 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.430 20.531 -0.425 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.719 21.827 -1.191 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.563 22.277 -2.092 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.027 23.394 -3.041 1.00 0.00 C ATOM 1168 NZ LYS A 76 -5.494 24.599 -2.307 1.00 0.00 N ATOM 0 H LYS A 76 -6.896 20.271 2.276 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.459 19.856 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.690 20.735 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.985 19.807 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.611 21.687 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.942 22.620 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.734 22.632 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.193 21.430 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.206 23.670 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.833 23.020 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.781 25.331 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.305 24.347 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.723 24.963 -1.712 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.163 17.582 -0.087 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.780 16.245 0.286 1.00 0.00 C ATOM 1184 C ALA A 77 -4.267 16.095 0.476 1.00 0.00 C ATOM 1185 O ALA A 77 -3.448 16.770 -0.154 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.317 15.296 -0.774 1.00 0.00 C ATOM 0 H ALA A 77 -6.350 17.702 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.210 16.004 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.042 14.273 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.403 15.379 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.891 15.555 -1.743 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.956 15.143 1.344 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.585 14.635 1.511 1.00 0.00 C ATOM 1194 C ILE A 78 -2.443 13.257 0.888 1.00 0.00 C ATOM 1195 O ILE A 78 -3.301 12.384 1.021 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.091 14.596 2.960 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.012 13.714 3.806 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.906 16.039 3.427 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.423 13.456 5.173 1.00 0.00 C ATOM 0 H ILE A 78 -4.639 14.696 1.955 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.953 15.356 0.993 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.117 14.119 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.984 14.196 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.180 12.766 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.554 16.045 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.174 16.536 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.858 16.566 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.102 12.827 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.463 12.951 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.279 14.404 5.692 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.337 13.086 0.188 1.00 0.00 N ATOM 1212 CA LYS A 79 -0.914 11.761 -0.268 1.00 0.00 C ATOM 1213 C LYS A 79 0.238 11.325 0.623 1.00 0.00 C ATOM 1214 O LYS A 79 1.167 12.098 0.844 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.533 11.896 -1.747 1.00 0.00 C ATOM 1216 CG LYS A 79 0.279 10.768 -2.403 1.00 0.00 C ATOM 1217 CD LYS A 79 1.789 10.942 -2.254 1.00 0.00 C ATOM 1218 CE LYS A 79 2.488 9.979 -3.212 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.497 10.492 -4.608 1.00 0.00 N ATOM 0 H LYS A 79 -0.710 13.844 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.689 10.998 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.455 12.015 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.033 12.820 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.015 9.815 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.029 10.719 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.075 11.970 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.093 10.741 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.513 9.816 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.986 9.012 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.147 9.920 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.538 10.432 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.812 11.483 -4.612 1.00 0.00 H new ATOM 1233 N VAL A 80 0.153 10.106 1.154 1.00 0.00 N ATOM 1234 CA VAL A 80 1.105 9.564 2.136 1.00 0.00 C ATOM 1235 C VAL A 80 1.784 8.313 1.593 1.00 0.00 C ATOM 1236 O VAL A 80 1.143 7.336 1.209 1.00 0.00 O ATOM 1237 CB VAL A 80 0.447 9.315 3.502 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.484 8.866 4.537 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.274 10.584 3.982 1.00 0.00 C ATOM 0 H VAL A 80 -0.591 9.452 0.913 1.00 0.00 H new ATOM 0 HA VAL A 80 1.876 10.317 2.301 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.285 8.515 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.992 8.697 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.955 7.942 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.243 9.640 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.736 10.395 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.445 11.398 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.043 10.860 3.261 1.00 0.00 H new ATOM 1249 N GLU A 81 3.104 8.409 1.518 1.00 0.00 N ATOM 1250 CA GLU A 81 4.036 7.506 0.857 1.00 0.00 C ATOM 1251 C GLU A 81 5.246 7.239 1.768 1.00 0.00 C ATOM 1252 O GLU A 81 5.609 8.093 2.575 1.00 0.00 O ATOM 1253 CB GLU A 81 4.409 8.125 -0.501 1.00 0.00 C ATOM 1254 CG GLU A 81 5.364 7.290 -1.357 1.00 0.00 C ATOM 1255 CD GLU A 81 4.789 5.897 -1.678 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.909 4.985 -0.827 1.00 0.00 O ATOM 1257 OE2 GLU A 81 4.206 5.716 -2.774 1.00 0.00 O ATOM 0 H GLU A 81 3.593 9.189 1.957 1.00 0.00 H new ATOM 0 HA GLU A 81 3.588 6.530 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.494 8.296 -1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.863 9.101 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.572 7.819 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.314 7.178 -0.835 1.00 0.00 H new ATOM 1264 N GLN A 82 5.892 6.080 1.659 1.00 0.00 N ATOM 1265 CA GLN A 82 7.096 5.778 2.440 1.00 0.00 C ATOM 1266 C GLN A 82 8.299 5.986 1.509 1.00 0.00 C ATOM 1267 O GLN A 82 8.336 5.484 0.381 1.00 0.00 O ATOM 1268 CB GLN A 82 7.025 4.351 2.991 1.00 0.00 C ATOM 1269 CG GLN A 82 8.218 4.089 3.923 1.00 0.00 C ATOM 1270 CD GLN A 82 8.089 2.756 4.642 1.00 0.00 C ATOM 1271 OE1 GLN A 82 8.727 1.772 4.299 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.273 2.678 5.669 1.00 0.00 N ATOM 0 H GLN A 82 5.602 5.328 1.034 1.00 0.00 H new ATOM 0 HA GLN A 82 7.189 6.434 3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.091 4.208 3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.030 3.634 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.141 4.102 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.290 4.892 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.738 3.497 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.174 1.799 6.176 1.00 0.00 H new ATOM 1281 N ALA A 83 9.237 6.825 1.963 1.00 0.00 N ATOM 1282 CA ALA A 83 10.303 7.365 1.120 1.00 0.00 C ATOM 1283 C ALA A 83 11.193 6.310 0.421 1.00 0.00 C ATOM 1284 O ALA A 83 11.425 5.218 0.953 1.00 0.00 O ATOM 1285 CB ALA A 83 11.111 8.372 1.939 1.00 0.00 C ATOM 0 H ALA A 83 9.276 7.148 2.930 1.00 0.00 H new ATOM 0 HA ALA A 83 9.825 7.866 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.911 8.784 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.457 9.178 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.542 7.873 2.807 1.00 0.00 H new ATOM 1291 N LYS A 84 11.711 6.678 -0.764 1.00 0.00 N ATOM 1292 CA LYS A 84 12.373 5.708 -1.662 1.00 0.00 C ATOM 1293 C LYS A 84 13.837 6.060 -1.969 1.00 0.00 C ATOM 1294 O LYS A 84 14.739 5.403 -1.448 1.00 0.00 O ATOM 1295 CB LYS A 84 11.494 5.622 -2.932 1.00 0.00 C ATOM 1296 CG LYS A 84 11.982 4.673 -4.034 1.00 0.00 C ATOM 1297 CD LYS A 84 12.159 3.213 -3.613 1.00 0.00 C ATOM 1298 CE LYS A 84 10.820 2.518 -3.339 1.00 0.00 C ATOM 1299 NZ LYS A 84 11.022 1.067 -3.106 1.00 0.00 N ATOM 0 H LYS A 84 11.686 7.633 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 84 12.447 4.735 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.492 5.314 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.407 6.622 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.274 4.711 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.935 5.042 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.692 2.674 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.779 3.168 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.342 2.968 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.148 2.666 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.104 0.614 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.458 0.638 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.646 0.931 -2.285 1.00 0.00 H new ATOM 1313 N LYS A 85 14.052 7.072 -2.824 1.00 0.00 N ATOM 1314 CA LYS A 85 15.386 7.393 -3.356 1.00 0.00 C ATOM 1315 C LYS A 85 15.282 8.733 -4.109 1.00 0.00 C ATOM 1316 O LYS A 85 14.387 8.847 -4.951 1.00 0.00 O ATOM 1317 CB LYS A 85 15.794 6.262 -4.325 1.00 0.00 C ATOM 1318 CG LYS A 85 17.041 6.617 -5.138 1.00 0.00 C ATOM 1319 CD LYS A 85 17.669 5.400 -5.835 1.00 0.00 C ATOM 1320 CE LYS A 85 16.723 4.737 -6.847 1.00 0.00 C ATOM 1321 NZ LYS A 85 17.358 3.557 -7.495 1.00 0.00 N ATOM 0 H LYS A 85 13.312 7.687 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 85 16.130 7.478 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.980 5.350 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.968 6.052 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.779 7.363 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.780 7.073 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.580 5.711 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.960 4.667 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.808 4.428 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.437 5.462 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.692 3.133 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.218 3.857 -7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.608 2.855 -6.769 1.00 0.00 H new ATOM 1335 N PRO A 86 16.148 9.734 -3.855 1.00 0.00 N ATOM 1336 CA PRO A 86 16.014 11.035 -4.505 1.00 0.00 C ATOM 1337 C PRO A 86 16.564 11.094 -5.935 1.00 0.00 C ATOM 1338 O PRO A 86 15.969 11.760 -6.782 1.00 0.00 O ATOM 1339 CB PRO A 86 16.734 12.015 -3.592 1.00 0.00 C ATOM 1340 CG PRO A 86 17.813 11.176 -2.923 1.00 0.00 C ATOM 1341 CD PRO A 86 17.169 9.788 -2.817 1.00 0.00 C ATOM 0 HA PRO A 86 14.958 11.273 -4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 86 17.165 12.842 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.055 12.449 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.727 11.151 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 86 18.079 11.571 -1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.911 9.003 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.730 9.637 -1.831 1.00 0.00 H new