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 16 ASN : amide:sc= 0.485 K(o=-1.6,f=-3.2) USER MOD Set 1.2: A 74 HIS : no HE2:sc= -2.12! C(o=-1.6!,f=-8!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -179:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 160:sc= 0.985 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 20 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.54) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 165:sc= -0.313 (180deg=-1.07) USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= 0.33 (180deg=0.0195) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.855 K(o=0.86,f=-2.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0.73 (180deg=0.519) USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.00917 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= -0.365 (180deg=-1.27) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.018) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.179) USER MOD Single : A 63 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 179:sc= -0.586 (180deg=-0.59) USER MOD Single : A 69 ASN : amide:sc= -0.959! X(o=-0.96!,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00383 X(o=-0.0038,f=-0.0067) 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 10.822 6.312 7.301 1.00 0.00 N ATOM 112 CA LYS A 9 10.785 7.616 6.619 1.00 0.00 C ATOM 113 C LYS A 9 9.647 7.706 5.593 1.00 0.00 C ATOM 114 O LYS A 9 9.426 6.776 4.815 1.00 0.00 O ATOM 115 CB LYS A 9 12.172 7.874 6.009 1.00 0.00 C ATOM 116 CG LYS A 9 12.504 9.367 5.894 1.00 0.00 C ATOM 117 CD LYS A 9 13.880 9.524 5.234 1.00 0.00 C ATOM 118 CE LYS A 9 14.434 10.949 5.340 1.00 0.00 C ATOM 119 NZ LYS A 9 15.152 11.160 6.620 1.00 0.00 N ATOM 0 HA LYS A 9 10.563 8.404 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.930 7.384 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.219 7.419 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.743 9.877 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.505 9.829 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.581 8.831 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.807 9.245 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.110 11.140 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.616 11.665 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.499 12.139 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.504 10.985 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.957 10.504 6.679 1.00 0.00 H new ATOM 133 N LEU A 10 8.936 8.834 5.615 1.00 0.00 N ATOM 134 CA LEU A 10 7.670 8.984 4.879 1.00 0.00 C ATOM 135 C LEU A 10 7.687 10.155 3.900 1.00 0.00 C ATOM 136 O LEU A 10 8.212 11.198 4.266 1.00 0.00 O ATOM 137 CB LEU A 10 6.538 9.237 5.890 1.00 0.00 C ATOM 138 CG LEU A 10 5.720 8.000 6.200 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.477 6.936 6.945 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.393 8.306 6.901 1.00 0.00 C ATOM 0 H LEU A 10 9.214 9.665 6.137 1.00 0.00 H new ATOM 0 HA LEU A 10 7.520 8.067 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.967 9.621 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.878 10.011 5.499 1.00 0.00 H new ATOM 0 HG LEU A 10 5.487 7.594 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.822 6.084 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.332 6.615 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.826 7.337 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.860 7.375 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.589 8.813 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.785 8.948 6.264 1.00 0.00 H new ATOM 152 N PHE A 11 7.057 10.004 2.729 1.00 0.00 N ATOM 153 CA PHE A 11 6.791 11.089 1.770 1.00 0.00 C ATOM 154 C PHE A 11 5.315 11.466 1.871 1.00 0.00 C ATOM 155 O PHE A 11 4.428 10.609 1.836 1.00 0.00 O ATOM 156 CB PHE A 11 7.086 10.638 0.320 1.00 0.00 C ATOM 157 CG PHE A 11 6.495 11.444 -0.853 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.348 12.855 -0.853 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.091 10.739 -2.007 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.801 13.523 -1.962 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.564 11.411 -3.125 1.00 0.00 C ATOM 162 CZ PHE A 11 5.423 12.805 -3.103 1.00 0.00 C ATOM 0 H PHE A 11 6.708 9.100 2.411 1.00 0.00 H new ATOM 0 HA PHE A 11 7.436 11.935 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.169 10.623 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.739 9.610 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.661 13.423 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.188 9.664 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.672 14.595 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.268 10.852 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.024 13.323 -3.963 1.00 0.00 H new ATOM 172 N ILE A 12 5.065 12.772 1.972 1.00 0.00 N ATOM 173 CA ILE A 12 3.713 13.299 1.926 1.00 0.00 C ATOM 174 C ILE A 12 3.679 14.269 0.784 1.00 0.00 C ATOM 175 O ILE A 12 4.529 15.170 0.633 1.00 0.00 O ATOM 176 CB ILE A 12 3.277 14.037 3.189 1.00 0.00 C ATOM 177 CG1 ILE A 12 3.623 13.271 4.438 1.00 0.00 C ATOM 178 CG2 ILE A 12 1.797 14.416 3.239 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.999 11.933 4.779 1.00 0.00 C ATOM 0 H ILE A 12 5.789 13.482 2.086 1.00 0.00 H new ATOM 0 HA ILE A 12 3.029 12.457 1.819 1.00 0.00 H new ATOM 0 HB ILE A 12 3.843 14.968 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.701 13.114 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.413 13.934 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.586 14.935 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.560 15.069 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.188 13.514 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.402 11.574 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.918 12.047 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.227 11.214 3.992 1.00 0.00 H new ATOM 191 N GLY A 13 2.620 14.045 0.030 1.00 0.00 N ATOM 192 CA GLY A 13 2.282 14.813 -1.113 1.00 0.00 C ATOM 193 C GLY A 13 1.122 15.738 -0.806 1.00 0.00 C ATOM 194 O GLY A 13 0.028 15.289 -0.464 1.00 0.00 O ATOM 0 H GLY A 13 1.959 13.292 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.145 15.396 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.019 14.151 -1.938 1.00 0.00 H new ATOM 198 N GLY A 14 1.401 17.033 -0.930 1.00 0.00 N ATOM 199 CA GLY A 14 0.301 18.030 -0.942 1.00 0.00 C ATOM 200 C GLY A 14 0.385 19.300 -0.143 1.00 0.00 C ATOM 201 O GLY A 14 -0.583 20.014 0.037 1.00 0.00 O ATOM 0 H GLY A 14 2.340 17.421 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.147 18.319 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.601 17.511 -0.618 1.00 0.00 H new ATOM 205 N LEU A 15 1.585 19.539 0.319 1.00 0.00 N ATOM 206 CA LEU A 15 2.018 20.844 0.787 1.00 0.00 C ATOM 207 C LEU A 15 1.501 22.000 -0.001 1.00 0.00 C ATOM 208 O LEU A 15 1.017 22.966 0.571 1.00 0.00 O ATOM 209 CB LEU A 15 3.546 20.842 0.647 1.00 0.00 C ATOM 210 CG LEU A 15 4.301 19.746 1.404 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.869 19.777 2.844 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.989 18.338 0.886 1.00 0.00 C ATOM 0 H LEU A 15 2.308 18.822 0.385 1.00 0.00 H new ATOM 0 HA LEU A 15 1.640 20.978 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.791 20.756 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.920 21.809 0.984 1.00 0.00 H new ATOM 0 HG LEU A 15 5.364 19.943 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.397 19.002 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.101 20.752 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.795 19.599 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.554 17.605 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.923 18.139 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.268 18.267 -0.165 1.00 0.00 H new ATOM 224 N ASN A 16 1.508 21.808 -1.316 1.00 0.00 N ATOM 225 CA ASN A 16 0.962 22.693 -2.309 1.00 0.00 C ATOM 226 C ASN A 16 1.426 24.159 -2.167 1.00 0.00 C ATOM 227 O ASN A 16 0.758 25.096 -2.605 1.00 0.00 O ATOM 228 CB ASN A 16 -0.535 22.455 -2.208 1.00 0.00 C ATOM 229 CG ASN A 16 -1.398 23.260 -3.167 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.106 23.408 -4.347 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.501 23.785 -2.687 1.00 0.00 N ATOM 0 H ASN A 16 1.924 20.974 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 16 1.324 22.483 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.728 21.396 -2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.852 22.678 -1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.119 24.319 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.740 23.659 -1.703 1.00 0.00 H new ATOM 238 N ARG A 17 2.575 24.351 -1.498 1.00 0.00 N ATOM 239 CA ARG A 17 3.060 25.635 -0.972 1.00 0.00 C ATOM 240 C ARG A 17 1.993 26.371 -0.128 1.00 0.00 C ATOM 241 O ARG A 17 2.115 27.573 0.108 1.00 0.00 O ATOM 242 CB ARG A 17 3.669 26.498 -2.096 1.00 0.00 C ATOM 243 CG ARG A 17 4.821 25.829 -2.877 1.00 0.00 C ATOM 244 CD ARG A 17 4.424 24.845 -3.994 1.00 0.00 C ATOM 245 NE ARG A 17 3.475 25.461 -4.948 1.00 0.00 N ATOM 246 CZ ARG A 17 2.385 24.936 -5.480 1.00 0.00 C ATOM 247 NH1 ARG A 17 2.054 23.683 -5.361 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.582 25.689 -6.174 1.00 0.00 N ATOM 0 H ARG A 17 3.217 23.583 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 17 3.869 25.426 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.879 26.764 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.036 27.428 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.433 26.615 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.451 25.297 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.317 24.519 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.973 23.956 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 17 3.691 26.417 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.650 23.046 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.198 23.338 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.796 26.678 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.739 25.290 -6.587 1.00 0.00 H new ATOM 262 N GLU A 18 0.956 25.663 0.341 1.00 0.00 N ATOM 263 CA GLU A 18 -0.175 26.179 1.085 1.00 0.00 C ATOM 264 C GLU A 18 -0.115 25.725 2.559 1.00 0.00 C ATOM 265 O GLU A 18 -0.265 26.586 3.430 1.00 0.00 O ATOM 266 CB GLU A 18 -1.422 25.712 0.327 1.00 0.00 C ATOM 267 CG GLU A 18 -2.707 26.128 1.035 1.00 0.00 C ATOM 268 CD GLU A 18 -3.981 26.070 0.160 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.913 26.279 -1.077 1.00 0.00 O ATOM 270 OE2 GLU A 18 -5.088 25.893 0.724 1.00 0.00 O ATOM 0 H GLU A 18 0.892 24.655 0.196 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.181 27.267 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.412 26.128 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.399 24.627 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.851 25.485 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.586 27.145 1.408 1.00 0.00 H new ATOM 277 N THR A 19 0.189 24.448 2.875 1.00 0.00 N ATOM 278 CA THR A 19 0.493 24.038 4.280 1.00 0.00 C ATOM 279 C THR A 19 1.992 23.829 4.617 1.00 0.00 C ATOM 280 O THR A 19 2.842 24.009 3.741 1.00 0.00 O ATOM 281 CB THR A 19 -0.410 22.892 4.698 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.579 22.903 6.092 1.00 0.00 O ATOM 283 CG2 THR A 19 0.137 21.532 4.297 1.00 0.00 C ATOM 0 H THR A 19 0.233 23.688 2.196 1.00 0.00 H new ATOM 0 HA THR A 19 0.257 24.899 4.905 1.00 0.00 H new ATOM 0 HB THR A 19 -1.359 23.042 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.164 22.163 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.552 20.752 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.247 21.489 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.108 21.378 4.767 1.00 0.00 H new ATOM 291 N ASN A 20 2.341 23.479 5.880 1.00 0.00 N ATOM 292 CA ASN A 20 3.745 23.571 6.372 1.00 0.00 C ATOM 293 C ASN A 20 4.211 22.531 7.429 1.00 0.00 C ATOM 294 O ASN A 20 3.481 21.616 7.793 1.00 0.00 O ATOM 295 CB ASN A 20 3.959 25.011 6.917 1.00 0.00 C ATOM 296 CG ASN A 20 3.773 26.108 5.878 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.649 26.382 5.070 1.00 0.00 O ATOM 298 ND2 ASN A 20 2.644 26.784 5.873 1.00 0.00 N ATOM 0 H ASN A 20 1.678 23.133 6.574 1.00 0.00 H new ATOM 0 HA ASN A 20 4.366 23.330 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.264 25.183 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.965 25.085 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.502 27.534 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.911 26.558 6.546 1.00 0.00 H new ATOM 305 N GLU A 21 5.440 22.724 7.949 1.00 0.00 N ATOM 306 CA GLU A 21 5.999 21.899 9.060 1.00 0.00 C ATOM 307 C GLU A 21 5.053 21.645 10.258 1.00 0.00 C ATOM 308 O GLU A 21 5.053 20.567 10.879 1.00 0.00 O ATOM 309 CB GLU A 21 7.250 22.650 9.546 1.00 0.00 C ATOM 310 CG GLU A 21 8.220 21.817 10.380 1.00 0.00 C ATOM 311 CD GLU A 21 9.328 22.702 10.984 1.00 0.00 C ATOM 312 OE1 GLU A 21 9.106 23.308 12.060 1.00 0.00 O ATOM 313 OE2 GLU A 21 10.429 22.798 10.389 1.00 0.00 O ATOM 0 H GLU A 21 6.076 23.450 7.619 1.00 0.00 H new ATOM 0 HA GLU A 21 6.195 20.902 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.782 23.038 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.933 23.510 10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.677 21.311 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.667 21.042 9.758 1.00 0.00 H new ATOM 320 N LYS A 22 4.201 22.654 10.502 1.00 0.00 N ATOM 321 CA LYS A 22 3.088 22.525 11.446 1.00 0.00 C ATOM 322 C LYS A 22 2.249 21.313 11.098 1.00 0.00 C ATOM 323 O LYS A 22 2.077 20.417 11.923 1.00 0.00 O ATOM 324 CB LYS A 22 2.242 23.802 11.374 1.00 0.00 C ATOM 325 CG LYS A 22 1.005 23.688 12.277 1.00 0.00 C ATOM 326 CD LYS A 22 1.275 23.874 13.774 1.00 0.00 C ATOM 327 CE LYS A 22 1.717 25.298 14.116 1.00 0.00 C ATOM 328 NZ LYS A 22 0.591 26.269 14.088 1.00 0.00 N ATOM 0 H LYS A 22 4.265 23.569 10.055 1.00 0.00 H new ATOM 0 HA LYS A 22 3.468 22.392 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.843 24.659 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.931 23.980 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.273 24.431 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.551 22.709 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.373 23.632 14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.046 23.172 14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.173 25.305 15.106 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.484 25.616 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.945 27.218 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.170 26.285 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.130 25.984 14.781 1.00 0.00 H new ATOM 342 N MET A 23 1.711 21.332 9.878 1.00 0.00 N ATOM 343 CA MET A 23 0.971 20.195 9.395 1.00 0.00 C ATOM 344 C MET A 23 1.768 18.906 9.445 1.00 0.00 C ATOM 345 O MET A 23 1.217 17.868 9.757 1.00 0.00 O ATOM 346 CB MET A 23 0.320 20.501 8.097 1.00 0.00 C ATOM 347 CG MET A 23 0.880 19.781 6.923 1.00 0.00 C ATOM 348 SD MET A 23 1.151 18.010 6.682 1.00 0.00 S ATOM 349 CE MET A 23 1.023 18.258 4.924 1.00 0.00 C ATOM 0 H MET A 23 1.778 22.113 9.226 1.00 0.00 H new ATOM 0 HA MET A 23 0.151 19.996 10.086 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.741 20.264 8.176 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.395 21.573 7.915 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.247 20.080 6.088 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.858 20.235 6.761 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.407 17.380 4.404 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.022 18.412 4.653 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.605 19.133 4.637 1.00 0.00 H new ATOM 359 N LEU A 24 3.056 18.949 9.113 1.00 0.00 N ATOM 360 CA LEU A 24 3.883 17.743 9.129 1.00 0.00 C ATOM 361 C LEU A 24 3.811 17.056 10.506 1.00 0.00 C ATOM 362 O LEU A 24 3.239 15.969 10.633 1.00 0.00 O ATOM 363 CB LEU A 24 5.308 18.057 8.675 1.00 0.00 C ATOM 364 CG LEU A 24 5.506 18.006 7.154 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.181 19.315 6.468 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.937 17.570 6.883 1.00 0.00 C ATOM 0 H LEU A 24 3.547 19.798 8.832 1.00 0.00 H new ATOM 0 HA LEU A 24 3.490 17.025 8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.582 19.049 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.992 17.349 9.144 1.00 0.00 H new ATOM 0 HG LEU A 24 4.804 17.287 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.341 19.213 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.139 19.576 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.828 20.101 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.106 17.525 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.626 18.287 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.106 16.585 7.318 1.00 0.00 H new ATOM 378 N LYS A 25 4.272 17.698 11.583 1.00 0.00 N ATOM 379 CA LYS A 25 4.117 17.140 12.933 1.00 0.00 C ATOM 380 C LYS A 25 2.678 16.814 13.296 1.00 0.00 C ATOM 381 O LYS A 25 2.455 15.803 13.954 1.00 0.00 O ATOM 382 CB LYS A 25 4.737 18.057 13.972 1.00 0.00 C ATOM 383 CG LYS A 25 6.271 18.112 13.788 1.00 0.00 C ATOM 384 CD LYS A 25 7.054 17.674 15.032 1.00 0.00 C ATOM 385 CE LYS A 25 7.210 16.147 15.143 1.00 0.00 C ATOM 386 NZ LYS A 25 7.796 15.741 16.453 1.00 0.00 N ATOM 0 H LYS A 25 4.752 18.597 11.550 1.00 0.00 H new ATOM 0 HA LYS A 25 4.652 16.190 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.316 19.058 13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.496 17.700 14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.551 17.475 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.561 19.129 13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.042 18.133 15.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.547 18.047 15.922 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.237 15.673 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.846 15.787 14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.436 14.934 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.328 16.538 16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.033 15.468 17.105 1.00 0.00 H new ATOM 400 N ALA A 26 1.724 17.624 12.845 1.00 0.00 N ATOM 401 CA ALA A 26 0.309 17.321 13.000 1.00 0.00 C ATOM 402 C ALA A 26 -0.070 15.933 12.412 1.00 0.00 C ATOM 403 O ALA A 26 -0.214 14.922 13.114 1.00 0.00 O ATOM 404 CB ALA A 26 -0.492 18.489 12.366 1.00 0.00 C ATOM 0 H ALA A 26 1.911 18.504 12.364 1.00 0.00 H new ATOM 0 HA ALA A 26 0.058 17.241 14.058 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.560 18.294 12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.244 19.419 12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.235 18.575 11.310 1.00 0.00 H new ATOM 410 N VAL A 27 -0.150 15.920 11.079 1.00 0.00 N ATOM 411 CA VAL A 27 -0.618 14.762 10.311 1.00 0.00 C ATOM 412 C VAL A 27 0.117 13.507 10.699 1.00 0.00 C ATOM 413 O VAL A 27 -0.482 12.500 11.049 1.00 0.00 O ATOM 414 CB VAL A 27 -0.357 15.032 8.806 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.473 13.850 7.849 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.240 16.124 8.277 1.00 0.00 C ATOM 0 H VAL A 27 0.110 16.717 10.498 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.679 14.621 10.516 1.00 0.00 H new ATOM 0 HB VAL A 27 0.696 15.312 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.265 14.183 6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.245 13.081 8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.482 13.440 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.027 16.284 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.285 15.838 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.050 17.045 8.828 1.00 0.00 H new ATOM 426 N PHE A 28 1.432 13.540 10.567 1.00 0.00 N ATOM 427 CA PHE A 28 2.248 12.415 10.951 1.00 0.00 C ATOM 428 C PHE A 28 2.187 12.053 12.424 1.00 0.00 C ATOM 429 O PHE A 28 1.989 10.890 12.783 1.00 0.00 O ATOM 430 CB PHE A 28 3.655 12.703 10.483 1.00 0.00 C ATOM 431 CG PHE A 28 3.894 12.865 8.996 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.611 14.087 8.363 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.672 11.920 8.312 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.353 14.488 7.259 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.351 12.301 7.151 1.00 0.00 C ATOM 436 CZ PHE A 28 5.311 13.633 6.720 1.00 0.00 C ATOM 0 H PHE A 28 1.951 14.336 10.196 1.00 0.00 H new ATOM 0 HA PHE A 28 1.851 11.521 10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.990 13.616 10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.296 11.896 10.838 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.815 14.716 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.746 10.907 8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.187 15.461 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.907 11.568 6.586 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.012 13.992 5.981 1.00 0.00 H new ATOM 446 N GLY A 29 2.403 13.039 13.295 1.00 0.00 N ATOM 447 CA GLY A 29 2.263 12.805 14.722 1.00 0.00 C ATOM 448 C GLY A 29 0.919 12.258 15.160 1.00 0.00 C ATOM 449 O GLY A 29 0.822 11.785 16.295 1.00 0.00 O ATOM 0 H GLY A 29 2.671 13.989 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.040 12.109 15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.443 13.743 15.247 1.00 0.00 H new ATOM 453 N LYS A 30 -0.116 12.315 14.298 1.00 0.00 N ATOM 454 CA LYS A 30 -1.429 11.719 14.619 1.00 0.00 C ATOM 455 C LYS A 30 -1.289 10.292 15.164 1.00 0.00 C ATOM 456 O LYS A 30 -1.958 9.926 16.133 1.00 0.00 O ATOM 457 CB LYS A 30 -2.356 11.662 13.402 1.00 0.00 C ATOM 458 CG LYS A 30 -2.889 13.027 12.958 1.00 0.00 C ATOM 459 CD LYS A 30 -4.330 13.264 13.385 1.00 0.00 C ATOM 460 CE LYS A 30 -4.715 14.668 12.902 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.978 15.152 13.519 1.00 0.00 N ATOM 0 H LYS A 30 -0.070 12.763 13.383 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.862 12.371 15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.819 11.206 12.571 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.200 11.012 13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.258 13.812 13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.819 13.104 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.989 12.512 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.429 13.188 14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.909 15.364 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.823 14.659 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.196 16.104 13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.754 14.504 13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.868 15.187 14.553 1.00 0.00 H new ATOM 475 N HIS A 31 -0.384 9.529 14.542 1.00 0.00 N ATOM 476 CA HIS A 31 -0.125 8.136 14.939 1.00 0.00 C ATOM 477 C HIS A 31 1.368 7.741 15.095 1.00 0.00 C ATOM 478 O HIS A 31 1.668 6.546 15.099 1.00 0.00 O ATOM 479 CB HIS A 31 -0.931 7.206 14.000 1.00 0.00 C ATOM 480 CG HIS A 31 -2.223 6.695 14.598 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.039 7.361 15.487 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.819 5.487 14.347 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.095 6.581 15.766 1.00 0.00 C ATOM 484 NE2 HIS A 31 -4.003 5.417 15.097 1.00 0.00 N ATOM 0 H HIS A 31 0.184 9.852 13.759 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.475 8.015 15.964 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.157 7.744 13.079 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.308 6.355 13.727 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.869 8.291 15.869 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.442 4.721 13.686 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.902 6.849 16.432 1.00 0.00 H new ATOM 492 N GLY A 32 2.332 8.661 15.297 1.00 0.00 N ATOM 493 CA GLY A 32 3.692 8.273 15.660 1.00 0.00 C ATOM 494 C GLY A 32 4.484 9.358 16.403 1.00 0.00 C ATOM 495 O GLY A 32 3.986 10.464 16.619 1.00 0.00 O ATOM 0 H GLY A 32 2.187 9.667 15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.648 7.381 16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.233 8.001 14.754 1.00 0.00 H new ATOM 499 N PRO A 33 5.724 9.036 16.805 1.00 0.00 N ATOM 500 CA PRO A 33 6.628 9.914 17.537 1.00 0.00 C ATOM 501 C PRO A 33 7.183 11.078 16.689 1.00 0.00 C ATOM 502 O PRO A 33 6.861 12.236 16.959 1.00 0.00 O ATOM 503 CB PRO A 33 7.740 8.978 18.049 1.00 0.00 C ATOM 504 CG PRO A 33 7.748 7.802 17.065 1.00 0.00 C ATOM 505 CD PRO A 33 6.279 7.709 16.675 1.00 0.00 C ATOM 0 HA PRO A 33 6.109 10.427 18.347 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.705 9.484 18.068 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.537 8.641 19.066 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.388 7.994 16.204 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.106 6.883 17.529 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.173 7.345 15.653 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.752 7.006 17.320 1.00 0.00 H new ATOM 513 N ILE A 34 8.058 10.753 15.720 1.00 0.00 N ATOM 514 CA ILE A 34 8.666 11.753 14.816 1.00 0.00 C ATOM 515 C ILE A 34 9.878 12.419 15.478 1.00 0.00 C ATOM 516 O ILE A 34 9.718 13.285 16.344 1.00 0.00 O ATOM 517 CB ILE A 34 7.723 12.717 14.063 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.729 12.026 13.125 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.598 13.650 13.200 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.510 11.523 13.887 1.00 0.00 C ATOM 0 H ILE A 34 8.364 9.797 15.540 1.00 0.00 H new ATOM 0 HA ILE A 34 9.019 11.168 13.967 1.00 0.00 H new ATOM 0 HB ILE A 34 7.138 13.238 14.821 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.413 12.723 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.218 11.191 12.624 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.960 14.345 12.654 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.277 14.210 13.843 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.176 13.055 12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.823 11.037 13.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.825 10.808 14.647 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.008 12.364 14.366 1.00 0.00 H new ATOM 532 N SER A 35 11.081 12.029 15.057 1.00 0.00 N ATOM 533 CA SER A 35 12.326 12.671 15.473 1.00 0.00 C ATOM 534 C SER A 35 12.726 13.761 14.477 1.00 0.00 C ATOM 535 O SER A 35 13.310 14.768 14.885 1.00 0.00 O ATOM 536 CB SER A 35 13.427 11.613 15.569 1.00 0.00 C ATOM 537 OG SER A 35 14.621 12.167 16.097 1.00 0.00 O ATOM 0 H SER A 35 11.219 11.251 14.412 1.00 0.00 H new ATOM 0 HA SER A 35 12.182 13.138 16.447 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.092 10.791 16.202 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.622 11.195 14.581 1.00 0.00 H new ATOM 0 HG SER A 35 15.309 11.471 16.150 1.00 0.00 H new ATOM 543 N GLU A 36 12.383 13.611 13.184 1.00 0.00 N ATOM 544 CA GLU A 36 12.916 14.504 12.140 1.00 0.00 C ATOM 545 C GLU A 36 11.897 14.916 11.070 1.00 0.00 C ATOM 546 O GLU A 36 11.061 14.111 10.666 1.00 0.00 O ATOM 547 CB GLU A 36 14.173 13.868 11.514 1.00 0.00 C ATOM 548 CG GLU A 36 15.434 14.708 11.735 1.00 0.00 C ATOM 549 CD GLU A 36 15.431 15.991 10.889 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.727 16.960 11.258 1.00 0.00 O ATOM 551 OE2 GLU A 36 16.140 16.021 9.853 1.00 0.00 O ATOM 0 H GLU A 36 11.748 12.890 12.841 1.00 0.00 H new ATOM 0 HA GLU A 36 13.179 15.440 12.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.323 12.876 11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.013 13.735 10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.514 14.970 12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.313 14.113 11.487 1.00 0.00 H new ATOM 558 N VAL A 37 11.989 16.168 10.600 1.00 0.00 N ATOM 559 CA VAL A 37 10.987 16.850 9.754 1.00 0.00 C ATOM 560 C VAL A 37 11.651 17.596 8.584 1.00 0.00 C ATOM 561 O VAL A 37 12.583 18.377 8.787 1.00 0.00 O ATOM 562 CB VAL A 37 10.150 17.837 10.609 1.00 0.00 C ATOM 563 CG1 VAL A 37 8.935 18.356 9.833 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.604 17.214 11.905 1.00 0.00 C ATOM 0 H VAL A 37 12.794 16.761 10.804 1.00 0.00 H new ATOM 0 HA VAL A 37 10.329 16.088 9.335 1.00 0.00 H new ATOM 0 HB VAL A 37 10.845 18.640 10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.370 19.045 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.271 18.875 8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.298 17.518 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.029 17.960 12.453 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.961 16.369 11.660 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.435 16.871 12.522 1.00 0.00 H new ATOM 574 N LEU A 38 11.169 17.366 7.357 1.00 0.00 N ATOM 575 CA LEU A 38 11.758 17.837 6.095 1.00 0.00 C ATOM 576 C LEU A 38 10.714 18.418 5.124 1.00 0.00 C ATOM 577 O LEU A 38 9.666 17.814 4.896 1.00 0.00 O ATOM 578 CB LEU A 38 12.472 16.671 5.397 1.00 0.00 C ATOM 579 CG LEU A 38 13.356 17.065 4.201 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.565 17.867 4.640 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.967 15.844 3.531 1.00 0.00 C ATOM 0 H LEU A 38 10.319 16.822 7.209 1.00 0.00 H new ATOM 0 HA LEU A 38 12.455 18.635 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.090 16.154 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.721 15.959 5.054 1.00 0.00 H new ATOM 0 HG LEU A 38 12.696 17.625 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.165 18.127 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.235 18.779 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.165 17.273 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.585 16.161 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.582 15.304 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.172 15.191 3.171 1.00 0.00 H new ATOM 593 N LEU A 39 11.037 19.560 4.516 1.00 0.00 N ATOM 594 CA LEU A 39 10.288 20.164 3.403 1.00 0.00 C ATOM 595 C LEU A 39 11.238 20.315 2.201 1.00 0.00 C ATOM 596 O LEU A 39 12.343 20.844 2.361 1.00 0.00 O ATOM 597 CB LEU A 39 9.710 21.545 3.796 1.00 0.00 C ATOM 598 CG LEU A 39 8.435 21.620 4.659 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.240 20.943 3.989 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.606 21.065 6.072 1.00 0.00 C ATOM 0 H LEU A 39 11.851 20.110 4.790 1.00 0.00 H new ATOM 0 HA LEU A 39 9.449 19.517 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.494 22.088 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.511 22.090 2.873 1.00 0.00 H new ATOM 0 HG LEU A 39 8.239 22.688 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.367 21.023 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.032 21.431 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.468 19.891 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.665 21.154 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.896 20.016 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.380 21.629 6.593 1.00 0.00 H new ATOM 612 N ILE A 40 10.797 19.909 1.006 1.00 0.00 N ATOM 613 CA ILE A 40 11.687 19.786 -0.151 1.00 0.00 C ATOM 614 C ILE A 40 11.436 20.955 -1.099 1.00 0.00 C ATOM 615 O ILE A 40 10.262 21.270 -1.360 1.00 0.00 O ATOM 616 CB ILE A 40 11.416 18.455 -0.880 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.651 17.205 -0.005 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.242 18.376 -2.175 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.077 17.000 0.496 1.00 0.00 C ATOM 0 H ILE A 40 9.826 19.660 0.815 1.00 0.00 H new ATOM 0 HA ILE A 40 12.725 19.801 0.182 1.00 0.00 H new ATOM 0 HB ILE A 40 10.353 18.452 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.988 17.260 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.358 16.325 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.040 17.431 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.969 19.202 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.303 18.439 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.124 16.093 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.752 16.905 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.376 17.855 1.103 1.00 0.00 H new ATOM 631 N LYS A 41 12.590 21.504 -1.544 1.00 0.00 N ATOM 632 CA LYS A 41 12.663 22.786 -2.273 1.00 0.00 C ATOM 633 C LYS A 41 13.548 22.588 -3.542 1.00 0.00 C ATOM 634 O LYS A 41 13.361 21.624 -4.284 1.00 0.00 O ATOM 635 CB LYS A 41 13.219 23.864 -1.297 1.00 0.00 C ATOM 636 CG LYS A 41 12.556 23.885 0.096 1.00 0.00 C ATOM 637 CD LYS A 41 13.168 24.944 1.025 1.00 0.00 C ATOM 638 CE LYS A 41 12.698 24.756 2.478 1.00 0.00 C ATOM 639 NZ LYS A 41 13.265 23.529 3.109 1.00 0.00 N ATOM 0 H LYS A 41 13.500 21.065 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 41 11.685 23.124 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.289 23.701 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.098 24.845 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.489 24.078 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.655 22.902 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.255 24.883 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.891 25.939 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.986 25.628 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.610 24.702 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.103 23.560 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.801 22.688 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.287 23.482 2.921 1.00 0.00 H new ATOM 653 N ASP A 42 14.489 23.503 -3.786 1.00 0.00 N ATOM 654 CA ASP A 42 15.352 23.714 -4.976 1.00 0.00 C ATOM 655 C ASP A 42 16.261 24.931 -4.684 1.00 0.00 C ATOM 656 O ASP A 42 15.787 25.841 -4.017 1.00 0.00 O ATOM 657 CB ASP A 42 14.515 23.972 -6.242 1.00 0.00 C ATOM 658 CG ASP A 42 13.235 24.840 -6.142 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.779 25.209 -5.034 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.681 25.185 -7.209 1.00 0.00 O ATOM 0 H ASP A 42 14.698 24.204 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 42 15.945 22.818 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.170 24.438 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.222 23.002 -6.644 1.00 0.00 H new ATOM 665 N ARG A 43 17.539 25.012 -5.115 1.00 0.00 N ATOM 666 CA ARG A 43 18.526 26.096 -4.758 1.00 0.00 C ATOM 667 C ARG A 43 18.730 26.355 -3.264 1.00 0.00 C ATOM 668 O ARG A 43 19.361 27.345 -2.936 1.00 0.00 O ATOM 669 CB ARG A 43 18.121 27.428 -5.453 1.00 0.00 C ATOM 670 CG ARG A 43 18.963 28.737 -5.368 1.00 0.00 C ATOM 671 CD ARG A 43 18.247 29.972 -4.745 1.00 0.00 C ATOM 672 NE ARG A 43 18.489 30.008 -3.291 1.00 0.00 N ATOM 673 CZ ARG A 43 18.063 30.897 -2.418 1.00 0.00 C ATOM 674 NH1 ARG A 43 17.137 31.768 -2.684 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.558 30.968 -1.225 1.00 0.00 N ATOM 0 H ARG A 43 17.940 24.312 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 43 19.484 25.720 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.015 27.200 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.128 27.678 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.861 28.530 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.290 29.001 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.614 30.888 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.176 29.922 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 43 19.057 29.249 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.703 31.785 -3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.844 32.435 -1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.297 30.325 -0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.209 31.667 -0.569 1.00 0.00 H new ATOM 689 N THR A 44 18.150 25.557 -2.363 1.00 0.00 N ATOM 690 CA THR A 44 18.058 25.984 -0.947 1.00 0.00 C ATOM 691 C THR A 44 17.118 27.210 -0.787 1.00 0.00 C ATOM 692 O THR A 44 17.136 27.890 0.239 1.00 0.00 O ATOM 693 CB THR A 44 19.405 25.976 -0.180 1.00 0.00 C ATOM 694 OG1 THR A 44 19.155 25.780 1.198 1.00 0.00 O ATOM 695 CG2 THR A 44 20.313 27.198 -0.343 1.00 0.00 C ATOM 0 H THR A 44 17.748 24.642 -2.568 1.00 0.00 H new ATOM 0 HA THR A 44 17.545 25.204 -0.384 1.00 0.00 H new ATOM 0 HB THR A 44 19.962 25.159 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.407 26.347 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 44 21.219 27.059 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.578 27.317 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.789 28.089 0.002 1.00 0.00 H new ATOM 703 N SER A 45 16.344 27.419 -1.880 1.00 0.00 N ATOM 704 CA SER A 45 15.125 28.244 -1.885 1.00 0.00 C ATOM 705 C SER A 45 14.711 28.986 -3.194 1.00 0.00 C ATOM 706 O SER A 45 14.324 30.156 -3.137 1.00 0.00 O ATOM 707 CB SER A 45 14.734 28.970 -0.581 1.00 0.00 C ATOM 708 OG SER A 45 13.351 29.285 -0.566 1.00 0.00 O ATOM 0 H SER A 45 16.557 27.012 -2.791 1.00 0.00 H new ATOM 0 HA SER A 45 14.443 27.394 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.976 28.341 0.276 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.319 29.884 -0.481 1.00 0.00 H new ATOM 0 HG SER A 45 13.129 29.743 0.271 1.00 0.00 H new ATOM 714 N LYS A 46 14.792 28.386 -4.411 1.00 0.00 N ATOM 715 CA LYS A 46 13.981 28.869 -5.573 1.00 0.00 C ATOM 716 C LYS A 46 12.475 28.800 -5.110 1.00 0.00 C ATOM 717 O LYS A 46 11.712 29.714 -5.430 1.00 0.00 O ATOM 718 CB LYS A 46 14.159 28.168 -6.959 1.00 0.00 C ATOM 719 CG LYS A 46 15.413 27.439 -7.533 1.00 0.00 C ATOM 720 CD LYS A 46 16.464 28.258 -8.343 1.00 0.00 C ATOM 721 CE LYS A 46 17.360 27.434 -9.342 1.00 0.00 C ATOM 722 NZ LYS A 46 18.774 27.219 -8.922 1.00 0.00 N ATOM 0 H LYS A 46 15.392 27.587 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 46 14.349 29.870 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.360 27.427 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.921 28.937 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.934 26.974 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.059 26.633 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.938 29.028 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.118 28.771 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.895 26.460 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.361 27.945 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.372 27.099 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.103 28.042 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.835 26.366 -8.330 1.00 0.00 H new ATOM 736 N SER A 47 12.132 27.764 -4.297 1.00 0.00 N ATOM 737 CA SER A 47 10.899 27.742 -3.477 1.00 0.00 C ATOM 738 C SER A 47 9.681 26.957 -3.987 1.00 0.00 C ATOM 739 O SER A 47 8.814 27.480 -4.692 1.00 0.00 O ATOM 740 CB SER A 47 10.489 29.104 -2.894 1.00 0.00 C ATOM 741 OG SER A 47 9.639 28.903 -1.774 1.00 0.00 O ATOM 0 H SER A 47 12.704 26.925 -4.195 1.00 0.00 H new ATOM 0 HA SER A 47 11.264 27.115 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.374 29.665 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.976 29.696 -3.652 1.00 0.00 H new ATOM 0 HG SER A 47 9.379 29.771 -1.401 1.00 0.00 H new ATOM 747 N ARG A 48 9.630 25.670 -3.588 1.00 0.00 N ATOM 748 CA ARG A 48 8.511 24.732 -3.634 1.00 0.00 C ATOM 749 C ARG A 48 8.468 23.972 -2.294 1.00 0.00 C ATOM 750 O ARG A 48 9.307 24.193 -1.422 1.00 0.00 O ATOM 751 CB ARG A 48 8.554 23.854 -4.868 1.00 0.00 C ATOM 752 CG ARG A 48 9.668 22.845 -4.749 1.00 0.00 C ATOM 753 CD ARG A 48 9.635 21.967 -5.965 1.00 0.00 C ATOM 754 NE ARG A 48 8.502 21.028 -6.010 1.00 0.00 N ATOM 755 CZ ARG A 48 8.434 19.896 -6.682 1.00 0.00 C ATOM 756 NH1 ARG A 48 9.434 19.417 -7.365 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.329 19.224 -6.662 1.00 0.00 N ATOM 0 H ARG A 48 10.457 25.227 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 48 7.565 25.263 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.600 23.341 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.703 24.469 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.631 23.349 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.546 22.248 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.602 22.599 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.564 21.398 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 48 7.680 21.281 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.319 19.923 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.332 18.536 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.530 19.572 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.257 18.346 -7.176 1.00 0.00 H new ATOM 771 N GLY A 49 7.450 23.141 -2.121 1.00 0.00 N ATOM 772 CA GLY A 49 7.204 22.332 -0.917 1.00 0.00 C ATOM 773 C GLY A 49 6.796 20.870 -1.138 1.00 0.00 C ATOM 774 O GLY A 49 5.724 20.632 -1.683 1.00 0.00 O ATOM 0 H GLY A 49 6.740 23.000 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.109 22.344 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.422 22.819 -0.335 1.00 0.00 H new ATOM 778 N PHE A 50 7.628 19.894 -0.766 1.00 0.00 N ATOM 779 CA PHE A 50 7.168 18.476 -0.583 1.00 0.00 C ATOM 780 C PHE A 50 7.698 17.785 0.681 1.00 0.00 C ATOM 781 O PHE A 50 8.778 18.136 1.121 1.00 0.00 O ATOM 782 CB PHE A 50 7.024 17.652 -1.828 1.00 0.00 C ATOM 783 CG PHE A 50 8.228 17.212 -2.541 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.809 18.074 -3.476 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.631 15.890 -2.387 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.858 17.608 -4.273 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.729 15.447 -3.128 1.00 0.00 C ATOM 788 CZ PHE A 50 10.312 16.287 -4.094 1.00 0.00 C ATOM 0 H PHE A 50 8.621 20.037 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 50 6.111 18.581 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.454 16.760 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.418 18.223 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.451 19.088 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.110 15.225 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.313 18.250 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.131 14.459 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.119 15.914 -4.707 1.00 0.00 H new ATOM 798 N ALA A 51 6.958 16.904 1.361 1.00 0.00 N ATOM 799 CA ALA A 51 7.284 16.538 2.744 1.00 0.00 C ATOM 800 C ALA A 51 7.878 15.177 2.973 1.00 0.00 C ATOM 801 O ALA A 51 7.416 14.185 2.424 1.00 0.00 O ATOM 802 CB ALA A 51 6.066 16.788 3.620 1.00 0.00 C ATOM 0 H ALA A 51 6.136 16.434 0.981 1.00 0.00 H new ATOM 0 HA ALA A 51 8.112 17.187 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.298 16.519 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.794 17.842 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.232 16.182 3.266 1.00 0.00 H new ATOM 808 N PHE A 52 8.911 15.175 3.812 1.00 0.00 N ATOM 809 CA PHE A 52 9.562 13.983 4.304 1.00 0.00 C ATOM 810 C PHE A 52 9.555 13.945 5.847 1.00 0.00 C ATOM 811 O PHE A 52 9.877 14.967 6.457 1.00 0.00 O ATOM 812 CB PHE A 52 10.935 13.903 3.696 1.00 0.00 C ATOM 813 CG PHE A 52 10.897 13.262 2.342 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.767 11.878 2.166 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.856 14.126 1.252 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.565 11.373 0.869 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.660 13.626 -0.040 1.00 0.00 C ATOM 818 CZ PHE A 52 10.492 12.248 -0.229 1.00 0.00 C ATOM 0 H PHE A 52 9.324 16.034 4.174 1.00 0.00 H new ATOM 0 HA PHE A 52 9.015 13.091 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.357 14.905 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.592 13.332 4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.821 11.210 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.976 15.188 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.466 10.309 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.638 14.298 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.306 11.858 -1.219 1.00 0.00 H new ATOM 828 N ILE A 53 9.215 12.832 6.519 1.00 0.00 N ATOM 829 CA ILE A 53 9.340 12.773 8.006 1.00 0.00 C ATOM 830 C ILE A 53 9.977 11.467 8.471 1.00 0.00 C ATOM 831 O ILE A 53 9.646 10.404 7.948 1.00 0.00 O ATOM 832 CB ILE A 53 8.024 13.127 8.737 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.001 14.512 9.411 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.576 12.048 9.730 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.628 14.974 9.924 1.00 0.00 C ATOM 0 H ILE A 53 8.861 11.980 6.084 1.00 0.00 H new ATOM 0 HA ILE A 53 10.034 13.561 8.299 1.00 0.00 H new ATOM 0 HB ILE A 53 7.301 13.172 7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.698 14.501 10.249 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.371 15.250 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.647 12.357 10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.416 11.109 9.200 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.346 11.909 10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.723 15.959 10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.927 15.026 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.259 14.265 10.665 1.00 0.00 H new ATOM 847 N THR A 54 10.912 11.557 9.418 1.00 0.00 N ATOM 848 CA THR A 54 11.597 10.403 10.011 1.00 0.00 C ATOM 849 C THR A 54 11.060 10.124 11.417 1.00 0.00 C ATOM 850 O THR A 54 11.102 10.987 12.310 1.00 0.00 O ATOM 851 CB THR A 54 13.117 10.610 10.090 1.00 0.00 C ATOM 852 OG1 THR A 54 13.593 11.271 8.938 1.00 0.00 O ATOM 853 CG2 THR A 54 13.876 9.287 10.178 1.00 0.00 C ATOM 0 H THR A 54 11.221 12.450 9.803 1.00 0.00 H new ATOM 0 HA THR A 54 11.399 9.552 9.359 1.00 0.00 H new ATOM 0 HB THR A 54 13.289 11.201 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.465 11.675 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.947 9.485 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.562 8.746 11.070 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.662 8.685 9.295 1.00 0.00 H new ATOM 861 N PHE A 55 10.616 8.880 11.610 1.00 0.00 N ATOM 862 CA PHE A 55 9.992 8.323 12.803 1.00 0.00 C ATOM 863 C PHE A 55 10.993 7.438 13.534 1.00 0.00 C ATOM 864 O PHE A 55 11.679 6.621 12.920 1.00 0.00 O ATOM 865 CB PHE A 55 8.827 7.403 12.403 1.00 0.00 C ATOM 866 CG PHE A 55 7.601 8.091 11.860 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.504 8.389 10.493 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.527 8.383 12.715 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.345 8.996 9.997 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.352 8.952 12.206 1.00 0.00 C ATOM 871 CZ PHE A 55 5.267 9.274 10.847 1.00 0.00 C ATOM 0 H PHE A 55 10.692 8.181 10.871 1.00 0.00 H new ATOM 0 HA PHE A 55 9.652 9.151 13.425 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.187 6.699 11.653 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.535 6.818 13.275 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.320 8.151 9.826 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.607 8.168 13.770 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.281 9.252 8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.514 9.141 12.861 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.373 9.736 10.455 1.00 0.00 H new ATOM 881 N GLU A 56 11.050 7.594 14.856 1.00 0.00 N ATOM 882 CA GLU A 56 11.850 6.711 15.720 1.00 0.00 C ATOM 883 C GLU A 56 11.728 5.190 15.420 1.00 0.00 C ATOM 884 O GLU A 56 12.727 4.485 15.572 1.00 0.00 O ATOM 885 CB GLU A 56 11.576 7.055 17.196 1.00 0.00 C ATOM 886 CG GLU A 56 11.837 8.542 17.519 1.00 0.00 C ATOM 887 CD GLU A 56 11.878 8.796 19.040 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.879 8.414 19.695 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.926 9.397 19.591 1.00 0.00 O ATOM 0 H GLU A 56 10.550 8.327 15.359 1.00 0.00 H new ATOM 0 HA GLU A 56 12.895 6.913 15.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.541 6.812 17.436 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.205 6.433 17.833 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.782 8.851 17.073 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.056 9.155 17.068 1.00 0.00 H new ATOM 896 N ASN A 57 10.584 4.692 14.907 1.00 0.00 N ATOM 897 CA ASN A 57 10.491 3.314 14.375 1.00 0.00 C ATOM 898 C ASN A 57 9.704 3.254 13.038 1.00 0.00 C ATOM 899 O ASN A 57 8.775 4.042 12.824 1.00 0.00 O ATOM 900 CB ASN A 57 9.830 2.368 15.400 1.00 0.00 C ATOM 901 CG ASN A 57 10.342 2.488 16.825 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.371 1.938 17.193 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.617 3.167 17.679 1.00 0.00 N ATOM 0 H ASN A 57 9.714 5.221 14.849 1.00 0.00 H new ATOM 0 HA ASN A 57 11.513 2.986 14.185 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.756 2.555 15.401 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.974 1.341 15.066 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.910 3.238 18.653 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.760 3.625 17.370 1.00 0.00 H new ATOM 910 N PRO A 58 9.992 2.262 12.168 1.00 0.00 N ATOM 911 CA PRO A 58 9.278 2.008 10.902 1.00 0.00 C ATOM 912 C PRO A 58 7.810 1.636 11.127 1.00 0.00 C ATOM 913 O PRO A 58 6.924 2.072 10.386 1.00 0.00 O ATOM 914 CB PRO A 58 10.056 0.881 10.216 1.00 0.00 C ATOM 915 CG PRO A 58 10.721 0.156 11.382 1.00 0.00 C ATOM 916 CD PRO A 58 11.028 1.265 12.369 1.00 0.00 C ATOM 0 HA PRO A 58 9.241 2.904 10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.396 0.220 9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.791 1.270 9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.060 -0.594 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.627 -0.361 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.020 0.892 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.017 1.686 12.191 1.00 0.00 H new ATOM 924 N ALA A 59 7.569 0.892 12.209 1.00 0.00 N ATOM 925 CA ALA A 59 6.226 0.662 12.719 1.00 0.00 C ATOM 926 C ALA A 59 5.386 1.932 12.726 1.00 0.00 C ATOM 927 O ALA A 59 4.337 2.023 12.099 1.00 0.00 O ATOM 928 CB ALA A 59 6.394 0.200 14.174 1.00 0.00 C ATOM 0 H ALA A 59 8.302 0.435 12.752 1.00 0.00 H new ATOM 0 HA ALA A 59 5.720 -0.066 12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.414 0.011 14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.985 -0.716 14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.903 0.976 14.746 1.00 0.00 H new ATOM 934 N ASP A 60 5.865 2.887 13.512 1.00 0.00 N ATOM 935 CA ASP A 60 5.190 4.146 13.699 1.00 0.00 C ATOM 936 C ASP A 60 4.996 4.971 12.421 1.00 0.00 C ATOM 937 O ASP A 60 3.974 5.632 12.241 1.00 0.00 O ATOM 938 CB ASP A 60 5.907 4.906 14.787 1.00 0.00 C ATOM 939 CG ASP A 60 6.104 4.144 16.103 1.00 0.00 C ATOM 940 OD1 ASP A 60 5.128 3.563 16.630 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.242 4.165 16.624 1.00 0.00 O ATOM 0 H ASP A 60 6.736 2.801 14.036 1.00 0.00 H new ATOM 0 HA ASP A 60 4.165 3.935 14.003 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.885 5.208 14.412 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.350 5.819 14.996 1.00 0.00 H new ATOM 946 N ALA A 61 5.978 4.900 11.520 1.00 0.00 N ATOM 947 CA ALA A 61 5.839 5.459 10.176 1.00 0.00 C ATOM 948 C ALA A 61 4.607 4.901 9.459 1.00 0.00 C ATOM 949 O ALA A 61 3.745 5.633 8.975 1.00 0.00 O ATOM 950 CB ALA A 61 7.133 5.134 9.412 1.00 0.00 C ATOM 0 H ALA A 61 6.880 4.459 11.699 1.00 0.00 H new ATOM 0 HA ALA A 61 5.691 6.538 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.069 5.536 8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.982 5.582 9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.266 4.053 9.365 1.00 0.00 H new ATOM 956 N LYS A 62 4.560 3.575 9.382 1.00 0.00 N ATOM 957 CA LYS A 62 3.435 2.804 8.811 1.00 0.00 C ATOM 958 C LYS A 62 2.103 3.127 9.476 1.00 0.00 C ATOM 959 O LYS A 62 1.069 3.238 8.830 1.00 0.00 O ATOM 960 CB LYS A 62 3.758 1.300 8.789 1.00 0.00 C ATOM 961 CG LYS A 62 2.719 0.431 8.055 1.00 0.00 C ATOM 962 CD LYS A 62 2.367 0.965 6.655 1.00 0.00 C ATOM 963 CE LYS A 62 1.879 -0.082 5.651 1.00 0.00 C ATOM 964 NZ LYS A 62 0.863 -1.026 6.182 1.00 0.00 N ATOM 0 H LYS A 62 5.317 2.981 9.721 1.00 0.00 H new ATOM 0 HA LYS A 62 3.311 3.117 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.730 1.158 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.848 0.946 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.103 -0.585 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.811 0.376 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.596 1.728 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.248 1.456 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.460 0.432 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.737 -0.654 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.407 -1.525 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.324 -1.717 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.145 -0.498 6.718 1.00 0.00 H new ATOM 978 N ASN A 63 2.161 3.238 10.793 1.00 0.00 N ATOM 979 CA ASN A 63 1.020 3.654 11.598 1.00 0.00 C ATOM 980 C ASN A 63 0.456 4.999 11.140 1.00 0.00 C ATOM 981 O ASN A 63 -0.678 5.045 10.679 1.00 0.00 O ATOM 982 CB ASN A 63 1.508 3.642 13.045 1.00 0.00 C ATOM 983 CG ASN A 63 0.460 3.259 14.072 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.088 4.070 14.795 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.170 1.983 14.200 1.00 0.00 N ATOM 0 H ASN A 63 3.001 3.042 11.337 1.00 0.00 H new ATOM 0 HA ASN A 63 0.173 2.977 11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.344 2.947 13.125 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.892 4.632 13.291 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.508 1.682 14.900 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.623 1.294 13.599 1.00 0.00 H new ATOM 992 N ALA A 64 1.267 6.063 11.209 1.00 0.00 N ATOM 993 CA ALA A 64 0.874 7.374 10.696 1.00 0.00 C ATOM 994 C ALA A 64 0.445 7.347 9.215 1.00 0.00 C ATOM 995 O ALA A 64 -0.524 8.006 8.839 1.00 0.00 O ATOM 996 CB ALA A 64 1.995 8.356 11.028 1.00 0.00 C ATOM 0 H ALA A 64 2.201 6.037 11.617 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.037 7.715 11.188 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.732 9.347 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.134 8.398 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.920 8.026 10.555 1.00 0.00 H new ATOM 1002 N ALA A 65 1.106 6.543 8.375 1.00 0.00 N ATOM 1003 CA ALA A 65 0.631 6.282 7.019 1.00 0.00 C ATOM 1004 C ALA A 65 -0.807 5.747 6.971 1.00 0.00 C ATOM 1005 O ALA A 65 -1.701 6.430 6.488 1.00 0.00 O ATOM 1006 CB ALA A 65 1.606 5.369 6.261 1.00 0.00 C ATOM 0 H ALA A 65 1.973 6.062 8.615 1.00 0.00 H new ATOM 0 HA ALA A 65 0.602 7.245 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.229 5.190 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.583 5.849 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.699 4.419 6.788 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.013 4.517 7.444 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.278 3.761 7.408 1.00 0.00 C ATOM 1014 C LYS A 66 -3.417 4.534 8.063 1.00 0.00 C ATOM 1015 O LYS A 66 -4.566 4.456 7.632 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.076 2.339 7.965 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.141 1.331 7.485 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.816 0.584 6.175 1.00 0.00 C ATOM 1019 CE LYS A 66 -2.565 1.483 4.954 1.00 0.00 C ATOM 1020 NZ LYS A 66 -2.340 0.690 3.713 1.00 0.00 N ATOM 0 H LYS A 66 -0.263 3.987 7.888 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.586 3.638 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.089 1.980 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.090 2.379 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.297 0.594 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.084 1.862 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.934 -0.035 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.641 -0.091 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.418 2.146 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.698 2.116 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.175 1.335 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.510 0.076 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.178 0.105 3.518 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.086 5.285 9.111 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.988 6.299 9.659 1.00 0.00 C ATOM 1036 C ASP A 67 -4.448 7.323 8.609 1.00 0.00 C ATOM 1037 O ASP A 67 -5.638 7.506 8.343 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.225 7.064 10.750 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.136 7.807 11.744 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.313 7.411 11.926 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.669 8.794 12.354 1.00 0.00 O ATOM 0 H ASP A 67 -2.195 5.211 9.601 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.873 5.786 10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.598 6.363 11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.558 7.784 10.276 1.00 0.00 H new ATOM 1046 N MET A 68 -3.435 8.041 8.120 1.00 0.00 N ATOM 1047 CA MET A 68 -3.647 9.252 7.294 1.00 0.00 C ATOM 1048 C MET A 68 -4.096 8.969 5.856 1.00 0.00 C ATOM 1049 O MET A 68 -5.291 9.013 5.569 1.00 0.00 O ATOM 1050 CB MET A 68 -2.502 10.252 7.453 1.00 0.00 C ATOM 1051 CG MET A 68 -2.340 10.719 8.912 1.00 0.00 C ATOM 1052 SD MET A 68 -3.827 11.331 9.771 1.00 0.00 S ATOM 1053 CE MET A 68 -4.048 12.967 9.036 1.00 0.00 C ATOM 0 H MET A 68 -2.454 7.812 8.277 1.00 0.00 H new ATOM 0 HA MET A 68 -4.523 9.760 7.698 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.572 9.795 7.114 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.684 11.116 6.814 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.937 9.886 9.489 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.591 11.511 8.930 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.933 13.440 9.461 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.172 13.581 9.245 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.172 12.868 7.958 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.137 8.683 4.961 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.420 8.073 3.650 1.00 0.00 C ATOM 1065 C ASN A 69 -4.690 8.490 2.865 1.00 0.00 C ATOM 1066 O ASN A 69 -5.513 7.658 2.480 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.189 6.554 3.793 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.213 5.692 4.527 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -4.119 4.472 4.499 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.208 6.236 5.188 1.00 0.00 N ATOM 0 H ASN A 69 -2.147 8.867 5.124 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.715 8.518 2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.083 6.146 2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.231 6.418 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.886 5.644 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.303 7.251 5.223 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.835 9.796 2.626 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.971 10.398 1.907 1.00 0.00 C ATOM 1079 C GLY A 70 -6.987 11.104 2.799 1.00 0.00 C ATOM 1080 O GLY A 70 -8.169 11.212 2.456 1.00 0.00 O ATOM 0 H GLY A 70 -4.150 10.486 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.586 11.114 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.482 9.617 1.344 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.491 11.587 3.941 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.245 12.516 4.773 1.00 0.00 C ATOM 1086 C LYS A 71 -7.070 13.911 4.151 1.00 0.00 C ATOM 1087 O LYS A 71 -6.458 14.071 3.088 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.653 12.364 6.184 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.256 13.204 7.329 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.787 13.099 7.436 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.297 13.947 8.609 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.780 13.912 8.705 1.00 0.00 N ATOM 0 H LYS A 71 -5.570 11.347 4.307 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.318 12.335 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.732 11.314 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.590 12.599 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.813 12.886 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.982 14.249 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.247 13.436 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.078 12.058 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.863 13.581 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.964 14.978 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.090 14.496 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.194 14.285 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.096 12.931 8.848 1.00 0.00 H new ATOM 1106 N SER A 72 -7.597 14.943 4.790 1.00 0.00 N ATOM 1107 CA SER A 72 -7.600 16.276 4.218 1.00 0.00 C ATOM 1108 C SER A 72 -7.758 17.310 5.319 1.00 0.00 C ATOM 1109 O SER A 72 -8.583 17.187 6.229 1.00 0.00 O ATOM 1110 CB SER A 72 -8.663 16.354 3.113 1.00 0.00 C ATOM 1111 OG SER A 72 -9.977 16.156 3.614 1.00 0.00 O ATOM 0 H SER A 72 -8.030 14.880 5.711 1.00 0.00 H new ATOM 0 HA SER A 72 -6.647 16.501 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.606 17.327 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.449 15.603 2.353 1.00 0.00 H new ATOM 0 HG SER A 72 -10.620 16.216 2.877 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.846 18.277 5.266 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.601 19.239 6.342 1.00 0.00 C ATOM 1119 C LEU A 73 -5.803 20.472 5.905 1.00 0.00 C ATOM 1120 O LEU A 73 -5.924 21.532 6.516 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.911 18.504 7.515 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.462 17.972 7.404 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -4.097 17.019 6.271 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.395 19.081 7.423 1.00 0.00 C ATOM 0 H LEU A 73 -6.242 18.419 4.456 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.566 19.635 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.934 19.181 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.542 17.652 7.768 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.457 17.367 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.044 16.749 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.708 16.119 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.278 17.507 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.404 18.634 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.558 19.757 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.466 19.638 8.357 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.008 20.345 4.833 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.179 21.438 4.323 1.00 0.00 C ATOM 1138 C HIS A 74 -5.032 22.598 3.770 1.00 0.00 C ATOM 1139 O HIS A 74 -4.622 23.759 3.808 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.200 20.879 3.252 1.00 0.00 C ATOM 1141 CG HIS A 74 -3.423 21.285 1.825 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -3.328 20.504 0.695 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -3.184 22.565 1.439 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -3.016 21.320 -0.333 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -2.998 22.599 0.063 1.00 0.00 N ATOM 0 H HIS A 74 -4.924 19.481 4.298 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.601 21.856 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.190 21.178 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.235 19.791 3.301 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -3.468 19.495 0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.145 23.420 2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.809 20.987 -1.339 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.211 22.245 3.246 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.003 23.144 2.401 1.00 0.00 C ATOM 1155 C GLY A 75 -7.588 22.390 1.195 1.00 0.00 C ATOM 1156 O GLY A 75 -8.631 22.800 0.679 1.00 0.00 O ATOM 0 H GLY A 75 -6.641 21.332 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.810 23.583 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.378 23.966 2.053 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.960 21.263 0.786 1.00 0.00 N ATOM 1161 CA LYS A 76 -7.466 20.432 -0.329 1.00 0.00 C ATOM 1162 C LYS A 76 -7.356 18.937 -0.008 1.00 0.00 C ATOM 1163 O LYS A 76 -8.376 18.250 -0.048 1.00 0.00 O ATOM 1164 CB LYS A 76 -6.711 20.755 -1.639 1.00 0.00 C ATOM 1165 CG LYS A 76 -6.848 22.219 -2.096 1.00 0.00 C ATOM 1166 CD LYS A 76 -6.127 22.511 -3.422 1.00 0.00 C ATOM 1167 CE LYS A 76 -6.780 21.794 -4.613 1.00 0.00 C ATOM 1168 NZ LYS A 76 -6.118 22.151 -5.896 1.00 0.00 N ATOM 0 H LYS A 76 -6.103 20.909 1.212 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.521 20.671 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.654 20.525 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.081 20.102 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.905 22.461 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.448 22.873 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.127 23.586 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.085 22.202 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.727 20.716 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.837 22.057 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.584 21.649 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.191 23.177 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.116 21.877 -5.857 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.145 18.483 0.352 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.884 17.067 0.687 1.00 0.00 C ATOM 1184 C ALA A 77 -4.393 16.801 0.992 1.00 0.00 C ATOM 1185 O ALA A 77 -3.510 17.615 0.702 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.323 16.127 -0.455 1.00 0.00 C ATOM 0 H ALA A 77 -5.321 19.080 0.420 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.471 16.862 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.117 15.094 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.391 16.248 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.772 16.374 -1.362 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.177 15.610 1.549 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.828 15.020 1.702 1.00 0.00 C ATOM 1194 C ILE A 78 -2.818 13.586 1.162 1.00 0.00 C ATOM 1195 O ILE A 78 -3.799 12.847 1.262 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.301 15.009 3.145 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.278 14.248 4.050 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.987 16.450 3.576 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.630 13.874 5.365 1.00 0.00 C ATOM 0 H ILE A 78 -4.926 15.019 1.910 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.162 15.665 1.129 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.360 14.465 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.158 14.863 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.621 13.347 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.612 16.450 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.232 16.872 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.894 17.052 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.348 13.336 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.765 13.238 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.310 14.778 5.883 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.693 13.215 0.566 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.428 11.824 0.175 1.00 0.00 C ATOM 1213 C LYS A 79 -0.192 11.322 0.914 1.00 0.00 C ATOM 1214 O LYS A 79 0.800 12.042 0.989 1.00 0.00 O ATOM 1215 CB LYS A 79 -1.279 11.828 -1.352 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.558 10.656 -2.030 1.00 0.00 C ATOM 1217 CD LYS A 79 0.959 10.828 -2.113 1.00 0.00 C ATOM 1218 CE LYS A 79 1.523 9.812 -3.102 1.00 0.00 C ATOM 1219 NZ LYS A 79 1.423 10.285 -4.510 1.00 0.00 N ATOM 0 H LYS A 79 -0.937 13.861 0.338 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.231 11.139 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.279 11.892 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.755 12.742 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.781 9.740 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.956 10.531 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.206 11.841 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.408 10.685 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.567 9.613 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.986 8.869 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.818 9.564 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.425 10.451 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.957 11.171 -4.617 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.253 10.106 1.459 1.00 0.00 N ATOM 1234 CA VAL A 80 0.797 9.537 2.329 1.00 0.00 C ATOM 1235 C VAL A 80 1.389 8.245 1.761 1.00 0.00 C ATOM 1236 O VAL A 80 0.680 7.304 1.409 1.00 0.00 O ATOM 1237 CB VAL A 80 0.291 9.337 3.767 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.434 8.860 4.669 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.326 10.638 4.306 1.00 0.00 C ATOM 0 H VAL A 80 -1.040 9.474 1.311 1.00 0.00 H new ATOM 0 HA VAL A 80 1.606 10.267 2.360 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.485 8.571 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.063 8.722 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.823 7.914 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.230 9.604 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.679 10.478 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.427 11.427 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.164 10.933 3.674 1.00 0.00 H new ATOM 1249 N GLU A 81 2.711 8.264 1.624 1.00 0.00 N ATOM 1250 CA GLU A 81 3.588 7.304 0.954 1.00 0.00 C ATOM 1251 C GLU A 81 4.829 7.014 1.825 1.00 0.00 C ATOM 1252 O GLU A 81 5.216 7.850 2.644 1.00 0.00 O ATOM 1253 CB GLU A 81 3.928 7.868 -0.437 1.00 0.00 C ATOM 1254 CG GLU A 81 4.787 6.959 -1.321 1.00 0.00 C ATOM 1255 CD GLU A 81 4.127 5.588 -1.556 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.345 4.669 -0.731 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.382 5.430 -2.552 1.00 0.00 O ATOM 0 H GLU A 81 3.253 9.032 2.020 1.00 0.00 H new ATOM 0 HA GLU A 81 3.097 6.340 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.997 8.082 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.447 8.818 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.961 7.446 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.762 6.816 -0.855 1.00 0.00 H new ATOM 1264 N GLN A 82 5.496 5.868 1.657 1.00 0.00 N ATOM 1265 CA GLN A 82 6.734 5.575 2.394 1.00 0.00 C ATOM 1266 C GLN A 82 7.925 5.756 1.446 1.00 0.00 C ATOM 1267 O GLN A 82 7.909 5.343 0.283 1.00 0.00 O ATOM 1268 CB GLN A 82 6.737 4.159 2.983 1.00 0.00 C ATOM 1269 CG GLN A 82 5.821 4.012 4.207 1.00 0.00 C ATOM 1270 CD GLN A 82 4.368 3.756 3.824 1.00 0.00 C ATOM 1271 OE1 GLN A 82 3.546 4.656 3.723 1.00 0.00 O ATOM 1272 NE2 GLN A 82 3.985 2.520 3.589 1.00 0.00 N ATOM 0 H GLN A 82 5.202 5.128 1.019 1.00 0.00 H new ATOM 0 HA GLN A 82 6.806 6.266 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.423 3.452 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.755 3.892 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.179 3.191 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.880 4.917 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.655 1.755 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.018 2.327 3.328 1.00 0.00 H new ATOM 1281 N ALA A 83 8.934 6.472 1.949 1.00 0.00 N ATOM 1282 CA ALA A 83 10.040 6.975 1.132 1.00 0.00 C ATOM 1283 C ALA A 83 10.937 5.875 0.519 1.00 0.00 C ATOM 1284 O ALA A 83 11.023 4.759 1.043 1.00 0.00 O ATOM 1285 CB ALA A 83 10.859 7.981 1.946 1.00 0.00 C ATOM 0 H ALA A 83 9.007 6.719 2.936 1.00 0.00 H new ATOM 0 HA ALA A 83 9.593 7.470 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.683 8.356 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.221 8.813 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.257 7.492 2.835 1.00 0.00 H new ATOM 1291 N LYS A 84 11.633 6.233 -0.573 1.00 0.00 N ATOM 1292 CA LYS A 84 12.433 5.257 -1.343 1.00 0.00 C ATOM 1293 C LYS A 84 13.864 5.744 -1.623 1.00 0.00 C ATOM 1294 O LYS A 84 14.789 5.029 -1.242 1.00 0.00 O ATOM 1295 CB LYS A 84 11.609 4.937 -2.607 1.00 0.00 C ATOM 1296 CG LYS A 84 12.168 3.835 -3.521 1.00 0.00 C ATOM 1297 CD LYS A 84 13.358 4.301 -4.382 1.00 0.00 C ATOM 1298 CE LYS A 84 13.179 3.955 -5.863 1.00 0.00 C ATOM 1299 NZ LYS A 84 13.291 2.495 -6.126 1.00 0.00 N ATOM 0 H LYS A 84 11.660 7.183 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 84 12.604 4.344 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.605 4.648 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.511 5.851 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.481 2.989 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.373 3.478 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.479 5.379 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.273 3.839 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.204 4.307 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.929 4.485 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.162 2.314 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.230 2.160 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.559 1.988 -5.589 1.00 0.00 H new ATOM 1313 N LYS A 85 13.977 6.938 -2.243 1.00 0.00 N ATOM 1314 CA LYS A 85 15.284 7.565 -2.630 1.00 0.00 C ATOM 1315 C LYS A 85 15.055 8.497 -3.842 1.00 0.00 C ATOM 1316 O LYS A 85 14.157 8.213 -4.642 1.00 0.00 O ATOM 1317 CB LYS A 85 16.448 6.596 -2.963 1.00 0.00 C ATOM 1318 CG LYS A 85 17.431 6.476 -1.783 1.00 0.00 C ATOM 1319 CD LYS A 85 18.503 5.396 -1.994 1.00 0.00 C ATOM 1320 CE LYS A 85 17.897 3.986 -1.996 1.00 0.00 C ATOM 1321 NZ LYS A 85 18.948 2.942 -2.136 1.00 0.00 N ATOM 0 H LYS A 85 13.168 7.506 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 85 15.608 8.096 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.047 5.612 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.978 6.951 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.920 7.438 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.872 6.251 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.016 5.573 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.253 5.469 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.344 3.825 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.183 3.897 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.505 2.001 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.459 3.082 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.615 3.012 -1.341 1.00 0.00 H new ATOM 1335 N PRO A 86 15.842 9.579 -4.013 1.00 0.00 N ATOM 1336 CA PRO A 86 15.594 10.581 -5.051 1.00 0.00 C ATOM 1337 C PRO A 86 16.186 10.242 -6.432 1.00 0.00 C ATOM 1338 O PRO A 86 17.174 9.514 -6.551 1.00 0.00 O ATOM 1339 CB PRO A 86 16.183 11.854 -4.464 1.00 0.00 C ATOM 1340 CG PRO A 86 17.400 11.363 -3.685 1.00 0.00 C ATOM 1341 CD PRO A 86 16.899 10.035 -3.115 1.00 0.00 C ATOM 0 HA PRO A 86 14.530 10.657 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.465 12.561 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.470 12.363 -3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.269 11.229 -4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.690 12.061 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.707 9.305 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.520 10.165 -2.101 1.00 0.00 H new