USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 68 SER OG : rot 93:sc= 0.58 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -0.36 F(o=-1.9,f=0.22) USER MOD Set 2.1: A 10 GLN :FLIP amide:sc= -5.5! C(o=-7.1!,f=-5.1!) USER MOD Set 2.2: A 14 THR OG1 : rot -179:sc= 0.429 USER MOD Single : A 7 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.00086) USER MOD Single : A 12 MET CE :methyl 136:sc= -0.195 (180deg=-0.37) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -44:sc= -0.9! USER MOD Single : A 30 SER OG : rot 180:sc= 0.284 USER MOD Single : A 34 SER OG : rot 180:sc= -0.35 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0497 (180deg=-0.493) USER MOD Single : A 39 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 170:sc= -0.091 USER MOD Single : A 55 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.3) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0735 (180deg=-0.649) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00507 USER MOD Single : A 66 GLN :FLIP amide:sc= -3.54! C(o=-5.4!,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-3.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.623 -12.400 6.418 1.00 0.00 N ATOM 111 CA HIS A 7 -8.199 -13.043 5.140 1.00 0.00 C ATOM 112 C HIS A 7 -6.655 -13.017 5.043 1.00 0.00 C ATOM 113 O HIS A 7 -6.026 -12.142 5.603 1.00 0.00 O ATOM 114 CB HIS A 7 -8.813 -12.257 3.968 1.00 0.00 C ATOM 115 CG HIS A 7 -10.291 -12.535 3.881 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.232 -11.524 3.761 1.00 0.00 N ATOM 117 CD2 HIS A 7 -11.004 -13.710 3.892 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.445 -12.103 3.703 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.362 -13.434 3.779 1.00 0.00 N ATOM 0 HA HIS A 7 -8.539 -14.078 5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.643 -11.189 4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.326 -12.539 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.575 -14.697 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.373 -11.558 3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.130 -14.104 3.759 1.00 0.00 H new ATOM 127 N PRO A 8 -6.039 -13.956 4.343 1.00 0.00 N ATOM 128 CA PRO A 8 -4.552 -13.987 4.212 1.00 0.00 C ATOM 129 C PRO A 8 -3.968 -12.594 3.911 1.00 0.00 C ATOM 130 O PRO A 8 -4.413 -11.903 3.016 1.00 0.00 O ATOM 131 CB PRO A 8 -4.291 -14.956 3.033 1.00 0.00 C ATOM 132 CG PRO A 8 -5.523 -15.824 2.923 1.00 0.00 C ATOM 133 CD PRO A 8 -6.681 -15.082 3.632 1.00 0.00 C ATOM 0 HA PRO A 8 -4.074 -14.306 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.118 -14.406 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.403 -15.561 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.770 -16.009 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.350 -16.795 3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.419 -14.725 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.204 -15.740 4.326 1.00 0.00 H new ATOM 141 N LEU A 9 -2.977 -12.189 4.656 1.00 0.00 N ATOM 142 CA LEU A 9 -2.359 -10.853 4.423 1.00 0.00 C ATOM 143 C LEU A 9 -1.687 -10.837 3.044 1.00 0.00 C ATOM 144 O LEU A 9 -1.777 -9.873 2.309 1.00 0.00 O ATOM 145 CB LEU A 9 -1.307 -10.589 5.505 1.00 0.00 C ATOM 146 CG LEU A 9 -1.972 -10.502 6.895 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.876 -10.441 7.969 1.00 0.00 C ATOM 148 CD2 LEU A 9 -2.881 -9.254 7.002 1.00 0.00 C ATOM 0 H LEU A 9 -2.567 -12.728 5.419 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.127 -10.081 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.564 -11.386 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.779 -9.660 5.289 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.595 -11.384 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.336 -10.379 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.260 -11.338 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.253 -9.562 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.336 -9.219 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.285 -8.355 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.663 -9.308 6.245 1.00 0.00 H new ATOM 160 N GLN A 10 -1.012 -11.899 2.692 1.00 0.00 N ATOM 161 CA GLN A 10 -0.329 -11.952 1.367 1.00 0.00 C ATOM 162 C GLN A 10 -1.353 -11.700 0.256 1.00 0.00 C ATOM 163 O GLN A 10 -1.142 -10.890 -0.625 1.00 0.00 O ATOM 164 CB GLN A 10 0.303 -13.347 1.195 1.00 0.00 C ATOM 165 CG GLN A 10 1.262 -13.373 -0.010 1.00 0.00 C ATOM 166 CD GLN A 10 0.464 -13.351 -1.321 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.026 -12.905 -2.412 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -0.687 -13.742 -1.351 1.00 0.00 N flip ATOM 0 H GLN A 10 -0.904 -12.734 3.267 1.00 0.00 H new ATOM 0 HA GLN A 10 0.447 -11.188 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.844 -13.619 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.481 -14.091 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.933 -12.515 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.885 -14.267 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.129 -14.091 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.210 -13.721 -2.226 1.00 0.00 H new ATOM 177 N ASP A 11 -2.462 -12.382 0.296 1.00 0.00 N ATOM 178 CA ASP A 11 -3.501 -12.177 -0.747 1.00 0.00 C ATOM 179 C ASP A 11 -4.089 -10.770 -0.612 1.00 0.00 C ATOM 180 O ASP A 11 -4.448 -10.140 -1.587 1.00 0.00 O ATOM 181 CB ASP A 11 -4.613 -13.213 -0.572 1.00 0.00 C ATOM 182 CG ASP A 11 -5.643 -13.050 -1.690 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.269 -13.210 -2.841 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.788 -12.769 -1.379 1.00 0.00 O ATOM 0 H ASP A 11 -2.693 -13.074 1.008 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.052 -12.290 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.194 -14.219 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.092 -13.088 0.399 1.00 0.00 H new ATOM 189 N MET A 12 -4.202 -10.278 0.594 1.00 0.00 N ATOM 190 CA MET A 12 -4.780 -8.917 0.798 1.00 0.00 C ATOM 191 C MET A 12 -3.904 -7.860 0.120 1.00 0.00 C ATOM 192 O MET A 12 -4.377 -7.058 -0.659 1.00 0.00 O ATOM 193 CB MET A 12 -4.853 -8.638 2.305 1.00 0.00 C ATOM 194 CG MET A 12 -5.623 -7.341 2.562 1.00 0.00 C ATOM 195 SD MET A 12 -5.744 -7.064 4.352 1.00 0.00 S ATOM 196 CE MET A 12 -7.367 -6.259 4.384 1.00 0.00 C ATOM 0 H MET A 12 -3.919 -10.760 1.447 1.00 0.00 H new ATOM 0 HA MET A 12 -5.776 -8.874 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.343 -9.468 2.813 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.847 -8.561 2.718 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.116 -6.502 2.086 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.619 -7.402 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.960 -6.668 5.202 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.238 -5.186 4.530 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.881 -6.438 3.439 1.00 0.00 H new ATOM 206 N PHE A 13 -2.627 -7.849 0.403 1.00 0.00 N ATOM 207 CA PHE A 13 -1.729 -6.840 -0.235 1.00 0.00 C ATOM 208 C PHE A 13 -1.578 -7.149 -1.728 1.00 0.00 C ATOM 209 O PHE A 13 -1.589 -6.266 -2.558 1.00 0.00 O ATOM 210 CB PHE A 13 -0.348 -6.872 0.437 1.00 0.00 C ATOM 211 CG PHE A 13 -0.451 -6.327 1.851 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.700 -4.963 2.044 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.293 -7.173 2.962 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.794 -4.443 3.340 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.388 -6.650 4.257 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.637 -5.285 4.446 1.00 0.00 C ATOM 0 H PHE A 13 -2.168 -8.493 1.047 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.166 -5.849 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.033 -7.893 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.361 -6.279 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.820 -4.311 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.099 -8.225 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.988 -3.391 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.269 -7.300 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.708 -4.882 5.446 1.00 0.00 H new ATOM 226 N THR A 14 -1.425 -8.397 -2.071 1.00 0.00 N ATOM 227 CA THR A 14 -1.259 -8.760 -3.507 1.00 0.00 C ATOM 228 C THR A 14 -2.505 -8.349 -4.294 1.00 0.00 C ATOM 229 O THR A 14 -2.414 -7.799 -5.373 1.00 0.00 O ATOM 230 CB THR A 14 -1.046 -10.277 -3.629 1.00 0.00 C ATOM 231 OG1 THR A 14 0.128 -10.643 -2.917 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.887 -10.669 -5.101 1.00 0.00 C ATOM 0 H THR A 14 -1.408 -9.182 -1.420 1.00 0.00 H new ATOM 0 HA THR A 14 -0.393 -8.238 -3.914 1.00 0.00 H new ATOM 0 HB THR A 14 -1.911 -10.794 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.280 -11.607 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.737 -11.746 -5.177 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.785 -10.389 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.026 -10.152 -5.524 1.00 0.00 H new ATOM 240 N SER A 15 -3.668 -8.616 -3.771 1.00 0.00 N ATOM 241 CA SER A 15 -4.913 -8.248 -4.500 1.00 0.00 C ATOM 242 C SER A 15 -4.983 -6.733 -4.695 1.00 0.00 C ATOM 243 O SER A 15 -5.313 -6.249 -5.759 1.00 0.00 O ATOM 244 CB SER A 15 -6.128 -8.702 -3.690 1.00 0.00 C ATOM 245 OG SER A 15 -7.315 -8.378 -4.400 1.00 0.00 O ATOM 0 H SER A 15 -3.811 -9.073 -2.870 1.00 0.00 H new ATOM 0 HA SER A 15 -4.908 -8.736 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.079 -9.776 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.131 -8.217 -2.714 1.00 0.00 H new ATOM 0 HG SER A 15 -8.095 -8.669 -3.883 1.00 0.00 H new ATOM 251 N ALA A 16 -4.691 -5.980 -3.670 1.00 0.00 N ATOM 252 CA ALA A 16 -4.756 -4.493 -3.788 1.00 0.00 C ATOM 253 C ALA A 16 -3.584 -3.959 -4.617 1.00 0.00 C ATOM 254 O ALA A 16 -3.759 -3.124 -5.479 1.00 0.00 O ATOM 255 CB ALA A 16 -4.703 -3.882 -2.388 1.00 0.00 C ATOM 0 H ALA A 16 -4.410 -6.330 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.685 -4.220 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.750 -2.796 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.548 -4.242 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.773 -4.172 -1.899 1.00 0.00 H new ATOM 261 N ILE A 17 -2.390 -4.418 -4.353 1.00 0.00 N ATOM 262 CA ILE A 17 -1.211 -3.914 -5.114 1.00 0.00 C ATOM 263 C ILE A 17 -1.354 -4.274 -6.595 1.00 0.00 C ATOM 264 O ILE A 17 -1.125 -3.458 -7.464 1.00 0.00 O ATOM 265 CB ILE A 17 0.061 -4.565 -4.535 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.300 -4.030 -3.107 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.285 -4.250 -5.419 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.359 -4.884 -2.402 1.00 0.00 C ATOM 0 H ILE A 17 -2.180 -5.120 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.147 -2.830 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.076 -5.646 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.626 -2.991 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.631 -4.049 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.172 -4.719 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.117 -4.637 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.432 -3.171 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.523 -4.501 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.015 -5.917 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.293 -4.842 -2.963 1.00 0.00 H new ATOM 280 N GLU A 18 -1.725 -5.485 -6.888 1.00 0.00 N ATOM 281 CA GLU A 18 -1.874 -5.900 -8.312 1.00 0.00 C ATOM 282 C GLU A 18 -3.074 -5.188 -8.937 1.00 0.00 C ATOM 283 O GLU A 18 -3.079 -4.883 -10.114 1.00 0.00 O ATOM 284 CB GLU A 18 -2.080 -7.417 -8.377 1.00 0.00 C ATOM 285 CG GLU A 18 -0.824 -8.138 -7.868 1.00 0.00 C ATOM 286 CD GLU A 18 0.340 -7.915 -8.838 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.073 -7.596 -9.986 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.474 -8.067 -8.418 1.00 0.00 O ATOM 0 H GLU A 18 -1.933 -6.211 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.975 -5.630 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.942 -7.702 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.293 -7.720 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.559 -7.767 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.024 -9.205 -7.766 1.00 0.00 H new ATOM 295 N ALA A 19 -4.093 -4.927 -8.166 1.00 0.00 N ATOM 296 CA ALA A 19 -5.293 -4.244 -8.725 1.00 0.00 C ATOM 297 C ALA A 19 -4.938 -2.821 -9.172 1.00 0.00 C ATOM 298 O ALA A 19 -5.398 -2.356 -10.195 1.00 0.00 O ATOM 299 CB ALA A 19 -6.388 -4.182 -7.660 1.00 0.00 C ATOM 0 H ALA A 19 -4.147 -5.157 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.648 -4.808 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.266 -3.682 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.656 -5.193 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.024 -3.626 -6.796 1.00 0.00 H new ATOM 305 N VAL A 20 -4.128 -2.120 -8.407 1.00 0.00 N ATOM 306 CA VAL A 20 -3.744 -0.712 -8.776 1.00 0.00 C ATOM 307 C VAL A 20 -2.357 -0.707 -9.422 1.00 0.00 C ATOM 308 O VAL A 20 -1.799 0.337 -9.697 1.00 0.00 O ATOM 309 CB VAL A 20 -3.743 0.170 -7.512 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.079 0.007 -6.781 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.586 -0.228 -6.576 1.00 0.00 C ATOM 0 H VAL A 20 -3.715 -2.463 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.466 -0.313 -9.488 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.608 1.211 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.082 0.629 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.893 0.312 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.214 -1.037 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.601 0.405 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.700 -1.271 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.637 -0.101 -7.096 1.00 0.00 H new ATOM 321 N ALA A 21 -1.792 -1.858 -9.670 1.00 0.00 N ATOM 322 CA ALA A 21 -0.444 -1.903 -10.303 1.00 0.00 C ATOM 323 C ALA A 21 -0.536 -1.371 -11.742 1.00 0.00 C ATOM 324 O ALA A 21 0.409 -1.458 -12.501 1.00 0.00 O ATOM 325 CB ALA A 21 0.067 -3.353 -10.314 1.00 0.00 C ATOM 0 H ALA A 21 -2.205 -2.767 -9.462 1.00 0.00 H new ATOM 0 HA ALA A 21 0.249 -1.282 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.053 -3.388 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.133 -3.723 -9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.623 -3.977 -10.882 1.00 0.00 H new ATOM 331 N ARG A 22 -1.663 -0.823 -12.125 1.00 0.00 N ATOM 332 CA ARG A 22 -1.796 -0.296 -13.516 1.00 0.00 C ATOM 333 C ARG A 22 -0.786 0.829 -13.744 1.00 0.00 C ATOM 334 O ARG A 22 -0.177 0.922 -14.791 1.00 0.00 O ATOM 335 CB ARG A 22 -3.233 0.225 -13.744 1.00 0.00 C ATOM 336 CG ARG A 22 -4.191 -0.972 -13.840 1.00 0.00 C ATOM 337 CD ARG A 22 -5.665 -0.502 -13.953 1.00 0.00 C ATOM 338 NE ARG A 22 -5.747 0.819 -14.662 1.00 0.00 N ATOM 339 CZ ARG A 22 -6.880 1.219 -15.205 1.00 0.00 C ATOM 340 NH1 ARG A 22 -7.850 0.373 -15.458 1.00 0.00 N ATOM 341 NH2 ARG A 22 -7.026 2.471 -15.540 1.00 0.00 N ATOM 0 H ARG A 22 -2.491 -0.719 -11.538 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.595 -1.100 -14.224 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.530 0.880 -12.925 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.278 0.817 -14.658 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.933 -1.580 -14.707 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.075 -1.606 -12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.249 -1.247 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.101 -0.414 -12.958 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.919 1.412 -14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.736 -0.616 -15.234 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.718 0.704 -15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.267 3.133 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.900 2.788 -15.961 1.00 0.00 H new ATOM 355 N ASP A 23 -0.595 1.682 -12.776 1.00 0.00 N ATOM 356 CA ASP A 23 0.384 2.795 -12.946 1.00 0.00 C ATOM 357 C ASP A 23 1.807 2.242 -12.862 1.00 0.00 C ATOM 358 O ASP A 23 2.199 1.651 -11.876 1.00 0.00 O ATOM 359 CB ASP A 23 0.170 3.834 -11.846 1.00 0.00 C ATOM 360 CG ASP A 23 0.349 3.184 -10.473 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.307 1.966 -10.401 1.00 0.00 O ATOM 362 OD2 ASP A 23 0.529 3.917 -9.515 1.00 0.00 O ATOM 0 H ASP A 23 -1.073 1.658 -11.875 1.00 0.00 H new ATOM 0 HA ASP A 23 0.237 3.263 -13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.879 4.653 -11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.829 4.262 -11.928 1.00 0.00 H new ATOM 367 N SER A 24 2.585 2.434 -13.895 1.00 0.00 N ATOM 368 CA SER A 24 3.995 1.930 -13.901 1.00 0.00 C ATOM 369 C SER A 24 4.045 0.471 -13.426 1.00 0.00 C ATOM 370 O SER A 24 3.910 -0.450 -14.206 1.00 0.00 O ATOM 371 CB SER A 24 4.848 2.810 -12.981 1.00 0.00 C ATOM 372 OG SER A 24 4.382 2.689 -11.642 1.00 0.00 O ATOM 0 H SER A 24 2.303 2.923 -14.744 1.00 0.00 H new ATOM 0 HA SER A 24 4.387 1.974 -14.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.894 2.511 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.795 3.850 -13.303 1.00 0.00 H new ATOM 0 HG SER A 24 3.403 2.728 -11.632 1.00 0.00 H new ATOM 378 N GLY A 25 4.234 0.254 -12.150 1.00 0.00 N ATOM 379 CA GLY A 25 4.289 -1.141 -11.617 1.00 0.00 C ATOM 380 C GLY A 25 4.002 -1.107 -10.117 1.00 0.00 C ATOM 381 O GLY A 25 3.070 -1.725 -9.638 1.00 0.00 O ATOM 0 H GLY A 25 4.353 0.987 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.558 -1.769 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.270 -1.578 -11.804 1.00 0.00 H new ATOM 385 N TRP A 26 4.800 -0.392 -9.370 1.00 0.00 N ATOM 386 CA TRP A 26 4.587 -0.313 -7.896 1.00 0.00 C ATOM 387 C TRP A 26 3.162 0.160 -7.601 1.00 0.00 C ATOM 388 O TRP A 26 2.368 0.365 -8.498 1.00 0.00 O ATOM 389 CB TRP A 26 5.577 0.690 -7.299 1.00 0.00 C ATOM 390 CG TRP A 26 6.972 0.197 -7.490 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.707 0.361 -8.613 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.816 -0.528 -6.550 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.947 -0.222 -8.425 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.062 -0.783 -7.169 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.622 -0.985 -5.236 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.080 -1.466 -6.507 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.645 -1.675 -4.566 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.872 -1.915 -5.201 1.00 0.00 C ATOM 0 H TRP A 26 5.595 0.144 -9.720 1.00 0.00 H new ATOM 0 HA TRP A 26 4.740 -1.299 -7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.456 1.662 -7.777 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.373 0.829 -6.237 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.379 0.865 -9.510 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.686 -0.236 -9.128 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.681 -0.805 -4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.024 -1.647 -7.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.486 -2.023 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.655 -2.446 -4.681 1.00 0.00 H new ATOM 409 N ALA A 27 2.835 0.328 -6.339 1.00 0.00 N ATOM 410 CA ALA A 27 1.460 0.785 -5.949 1.00 0.00 C ATOM 411 C ALA A 27 1.569 1.783 -4.794 1.00 0.00 C ATOM 412 O ALA A 27 2.299 1.575 -3.846 1.00 0.00 O ATOM 413 CB ALA A 27 0.643 -0.427 -5.495 1.00 0.00 C ATOM 0 H ALA A 27 3.468 0.166 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 27 0.973 1.262 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.358 -0.105 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.574 -1.146 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.131 -0.895 -4.640 1.00 0.00 H new ATOM 419 N GLU A 28 0.847 2.869 -4.868 1.00 0.00 N ATOM 420 CA GLU A 28 0.902 3.887 -3.779 1.00 0.00 C ATOM 421 C GLU A 28 0.205 3.342 -2.530 1.00 0.00 C ATOM 422 O GLU A 28 -0.863 2.769 -2.602 1.00 0.00 O ATOM 423 CB GLU A 28 0.200 5.168 -4.246 1.00 0.00 C ATOM 424 CG GLU A 28 1.000 5.815 -5.388 1.00 0.00 C ATOM 425 CD GLU A 28 0.879 4.969 -6.659 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.101 4.251 -6.783 1.00 0.00 O ATOM 427 OE2 GLU A 28 1.766 5.059 -7.493 1.00 0.00 O ATOM 0 H GLU A 28 0.219 3.096 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 28 1.942 4.109 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.811 4.937 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.107 5.866 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.630 6.823 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.048 5.908 -5.102 1.00 0.00 H new ATOM 434 N LEU A 29 0.812 3.509 -1.383 1.00 0.00 N ATOM 435 CA LEU A 29 0.207 2.988 -0.121 1.00 0.00 C ATOM 436 C LEU A 29 -1.206 3.557 0.035 1.00 0.00 C ATOM 437 O LEU A 29 -2.121 2.861 0.428 1.00 0.00 O ATOM 438 CB LEU A 29 1.088 3.424 1.064 1.00 0.00 C ATOM 439 CG LEU A 29 0.528 2.914 2.409 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.520 1.371 2.453 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.405 3.460 3.543 1.00 0.00 C ATOM 0 H LEU A 29 1.706 3.987 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 29 0.148 1.900 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.100 3.045 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.155 4.512 1.087 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.499 3.260 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.121 1.036 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.104 0.987 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.537 0.998 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.022 3.108 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.429 3.111 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.388 4.550 3.524 1.00 0.00 H new ATOM 453 N SER A 30 -1.397 4.810 -0.275 1.00 0.00 N ATOM 454 CA SER A 30 -2.757 5.404 -0.148 1.00 0.00 C ATOM 455 C SER A 30 -3.725 4.629 -1.046 1.00 0.00 C ATOM 456 O SER A 30 -4.830 4.308 -0.655 1.00 0.00 O ATOM 457 CB SER A 30 -2.713 6.867 -0.588 1.00 0.00 C ATOM 458 OG SER A 30 -4.002 7.444 -0.435 1.00 0.00 O ATOM 0 H SER A 30 -0.673 5.446 -0.609 1.00 0.00 H new ATOM 0 HA SER A 30 -3.091 5.348 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.984 7.416 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.392 6.936 -1.627 1.00 0.00 H new ATOM 0 HG SER A 30 -3.976 8.383 -0.715 1.00 0.00 H new ATOM 464 N ALA A 31 -3.318 4.326 -2.249 1.00 0.00 N ATOM 465 CA ALA A 31 -4.212 3.570 -3.172 1.00 0.00 C ATOM 466 C ALA A 31 -4.493 2.181 -2.594 1.00 0.00 C ATOM 467 O ALA A 31 -5.584 1.657 -2.719 1.00 0.00 O ATOM 468 CB ALA A 31 -3.533 3.424 -4.535 1.00 0.00 C ATOM 0 H ALA A 31 -2.405 4.569 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.151 4.111 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.187 2.871 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.335 4.412 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.593 2.885 -4.417 1.00 0.00 H new ATOM 474 N VAL A 32 -3.520 1.573 -1.968 1.00 0.00 N ATOM 475 CA VAL A 32 -3.740 0.215 -1.394 1.00 0.00 C ATOM 476 C VAL A 32 -4.842 0.292 -0.327 1.00 0.00 C ATOM 477 O VAL A 32 -5.764 -0.498 -0.319 1.00 0.00 O ATOM 478 CB VAL A 32 -2.424 -0.281 -0.767 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.648 -1.602 -0.013 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.388 -0.499 -1.876 1.00 0.00 C ATOM 0 H VAL A 32 -2.585 1.957 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.050 -0.480 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.066 0.468 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.707 -1.936 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.381 -1.449 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.016 -2.359 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.454 -0.850 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.760 -1.243 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.212 0.441 -2.399 1.00 0.00 H new ATOM 490 N GLY A 33 -4.747 1.229 0.577 1.00 0.00 N ATOM 491 CA GLY A 33 -5.784 1.340 1.643 1.00 0.00 C ATOM 492 C GLY A 33 -7.136 1.706 1.020 1.00 0.00 C ATOM 493 O GLY A 33 -8.155 1.133 1.353 1.00 0.00 O ATOM 0 H GLY A 33 -3.999 1.921 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.866 0.396 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.491 2.098 2.370 1.00 0.00 H new ATOM 497 N SER A 34 -7.163 2.654 0.118 1.00 0.00 N ATOM 498 CA SER A 34 -8.460 3.042 -0.517 1.00 0.00 C ATOM 499 C SER A 34 -9.045 1.850 -1.270 1.00 0.00 C ATOM 500 O SER A 34 -10.227 1.577 -1.197 1.00 0.00 O ATOM 501 CB SER A 34 -8.235 4.192 -1.504 1.00 0.00 C ATOM 502 OG SER A 34 -9.348 4.286 -2.379 1.00 0.00 O ATOM 0 H SER A 34 -6.347 3.174 -0.205 1.00 0.00 H new ATOM 0 HA SER A 34 -9.151 3.359 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.103 5.129 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.322 4.022 -2.075 1.00 0.00 H new ATOM 0 HG SER A 34 -9.207 5.022 -3.010 1.00 0.00 H new ATOM 508 N TYR A 35 -8.234 1.147 -2.006 1.00 0.00 N ATOM 509 CA TYR A 35 -8.749 -0.016 -2.780 1.00 0.00 C ATOM 510 C TYR A 35 -9.402 -1.017 -1.821 1.00 0.00 C ATOM 511 O TYR A 35 -10.468 -1.537 -2.083 1.00 0.00 O ATOM 512 CB TYR A 35 -7.585 -0.690 -3.513 1.00 0.00 C ATOM 513 CG TYR A 35 -8.082 -1.927 -4.237 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.588 -1.820 -5.537 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.039 -3.177 -3.603 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.047 -2.960 -6.204 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.498 -4.318 -4.272 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.002 -4.209 -5.574 1.00 0.00 C ATOM 519 OH TYR A 35 -9.455 -5.332 -6.233 1.00 0.00 O ATOM 0 H TYR A 35 -7.235 1.327 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.488 0.323 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.140 0.005 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.804 -0.962 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.624 -0.857 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.652 -3.260 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.437 -2.877 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.463 -5.281 -3.785 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.352 -6.115 -5.653 1.00 0.00 H new ATOM 529 N LEU A 36 -8.773 -1.283 -0.712 1.00 0.00 N ATOM 530 CA LEU A 36 -9.358 -2.243 0.261 1.00 0.00 C ATOM 531 C LEU A 36 -10.684 -1.682 0.778 1.00 0.00 C ATOM 532 O LEU A 36 -11.650 -2.401 0.938 1.00 0.00 O ATOM 533 CB LEU A 36 -8.384 -2.446 1.429 1.00 0.00 C ATOM 534 CG LEU A 36 -7.112 -3.179 0.944 1.00 0.00 C ATOM 535 CD1 LEU A 36 -6.049 -3.125 2.051 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.421 -4.655 0.588 1.00 0.00 C ATOM 0 H LEU A 36 -7.879 -0.877 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.534 -3.203 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.115 -1.481 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.866 -3.023 2.218 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.744 -2.684 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.149 -3.640 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.810 -2.085 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.433 -3.611 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.509 -5.146 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.805 -5.169 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.167 -4.689 -0.206 1.00 0.00 H new ATOM 548 N ALA A 37 -10.746 -0.402 1.033 1.00 0.00 N ATOM 549 CA ALA A 37 -12.020 0.191 1.531 1.00 0.00 C ATOM 550 C ALA A 37 -13.122 -0.038 0.492 1.00 0.00 C ATOM 551 O ALA A 37 -14.231 -0.409 0.821 1.00 0.00 O ATOM 552 CB ALA A 37 -11.829 1.692 1.753 1.00 0.00 C ATOM 0 H ALA A 37 -9.974 0.255 0.919 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.302 -0.280 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.760 2.127 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.041 1.854 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.550 2.166 0.812 1.00 0.00 H new ATOM 558 N LYS A 38 -12.828 0.196 -0.759 1.00 0.00 N ATOM 559 CA LYS A 38 -13.861 0.003 -1.818 1.00 0.00 C ATOM 560 C LYS A 38 -14.310 -1.460 -1.833 1.00 0.00 C ATOM 561 O LYS A 38 -15.482 -1.758 -1.943 1.00 0.00 O ATOM 562 CB LYS A 38 -13.256 0.358 -3.179 1.00 0.00 C ATOM 563 CG LYS A 38 -12.948 1.855 -3.231 1.00 0.00 C ATOM 564 CD LYS A 38 -12.283 2.189 -4.569 1.00 0.00 C ATOM 565 CE LYS A 38 -11.910 3.672 -4.598 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.143 4.498 -4.468 1.00 0.00 N ATOM 0 H LYS A 38 -11.918 0.512 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.718 0.645 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.345 -0.217 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.949 0.092 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.866 2.431 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.291 2.132 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.392 1.576 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.960 1.957 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.220 3.900 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.396 3.910 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.951 5.464 -4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.904 4.078 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.436 4.529 -3.471 1.00 0.00 H new ATOM 580 N ASN A 39 -13.385 -2.376 -1.717 1.00 0.00 N ATOM 581 CA ASN A 39 -13.753 -3.826 -1.715 1.00 0.00 C ATOM 582 C ASN A 39 -14.185 -4.220 -0.304 1.00 0.00 C ATOM 583 O ASN A 39 -14.642 -5.320 -0.064 1.00 0.00 O ATOM 584 CB ASN A 39 -12.537 -4.659 -2.132 1.00 0.00 C ATOM 585 CG ASN A 39 -12.210 -4.380 -3.601 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.938 -4.788 -4.485 1.00 0.00 O ATOM 587 ND2 ASN A 39 -11.141 -3.696 -3.900 1.00 0.00 N ATOM 0 H ASN A 39 -12.388 -2.184 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.568 -4.006 -2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.681 -4.413 -1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.742 -5.720 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.915 -3.503 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.530 -3.354 -3.158 1.00 0.00 H new ATOM 594 N ASP A 40 -14.046 -3.317 0.632 1.00 0.00 N ATOM 595 CA ASP A 40 -14.448 -3.609 2.042 1.00 0.00 C ATOM 596 C ASP A 40 -14.805 -2.289 2.741 1.00 0.00 C ATOM 597 O ASP A 40 -14.056 -1.797 3.560 1.00 0.00 O ATOM 598 CB ASP A 40 -13.283 -4.281 2.777 1.00 0.00 C ATOM 599 CG ASP A 40 -12.794 -5.485 1.969 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.476 -6.497 1.980 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.746 -5.374 1.355 1.00 0.00 O ATOM 0 H ASP A 40 -13.668 -2.382 0.479 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.310 -4.276 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.469 -3.570 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.601 -4.601 3.769 1.00 0.00 H new ATOM 606 N PRO A 41 -15.946 -1.719 2.421 1.00 0.00 N ATOM 607 CA PRO A 41 -16.397 -0.434 3.037 1.00 0.00 C ATOM 608 C PRO A 41 -16.375 -0.515 4.566 1.00 0.00 C ATOM 609 O PRO A 41 -16.077 0.446 5.249 1.00 0.00 O ATOM 610 CB PRO A 41 -17.840 -0.261 2.507 1.00 0.00 C ATOM 611 CG PRO A 41 -17.873 -1.042 1.224 1.00 0.00 C ATOM 612 CD PRO A 41 -16.926 -2.232 1.443 1.00 0.00 C ATOM 0 HA PRO A 41 -15.750 0.406 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.572 -0.641 3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.076 0.790 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.884 -1.381 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.546 -0.430 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.458 -3.102 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.444 -2.537 0.514 1.00 0.00 H new ATOM 620 N SER A 42 -16.688 -1.660 5.101 1.00 0.00 N ATOM 621 CA SER A 42 -16.693 -1.826 6.577 1.00 0.00 C ATOM 622 C SER A 42 -15.263 -1.700 7.108 1.00 0.00 C ATOM 623 O SER A 42 -15.040 -1.604 8.298 1.00 0.00 O ATOM 624 CB SER A 42 -17.242 -3.210 6.926 1.00 0.00 C ATOM 625 OG SER A 42 -16.407 -4.204 6.344 1.00 0.00 O ATOM 0 H SER A 42 -16.943 -2.495 4.573 1.00 0.00 H new ATOM 0 HA SER A 42 -17.319 -1.057 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.280 -3.337 8.008 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.262 -3.313 6.557 1.00 0.00 H new ATOM 0 HG SER A 42 -16.754 -5.093 6.566 1.00 0.00 H new ATOM 631 N PHE A 43 -14.289 -1.700 6.231 1.00 0.00 N ATOM 632 CA PHE A 43 -12.863 -1.577 6.677 1.00 0.00 C ATOM 633 C PHE A 43 -12.485 -0.092 6.765 1.00 0.00 C ATOM 634 O PHE A 43 -12.980 0.730 6.020 1.00 0.00 O ATOM 635 CB PHE A 43 -11.944 -2.310 5.672 1.00 0.00 C ATOM 636 CG PHE A 43 -10.675 -2.783 6.370 1.00 0.00 C ATOM 637 CD1 PHE A 43 -10.761 -3.790 7.341 1.00 0.00 C ATOM 638 CD2 PHE A 43 -9.424 -2.220 6.061 1.00 0.00 C ATOM 639 CE1 PHE A 43 -9.609 -4.233 7.998 1.00 0.00 C ATOM 640 CE2 PHE A 43 -8.274 -2.665 6.722 1.00 0.00 C ATOM 641 CZ PHE A 43 -8.366 -3.672 7.688 1.00 0.00 C ATOM 0 H PHE A 43 -14.419 -1.780 5.222 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.741 -2.032 7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.470 -3.162 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.688 -1.643 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.720 -4.225 7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.351 -1.444 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.679 -5.009 8.746 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.314 -2.230 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.477 -4.017 8.195 1.00 0.00 H new ATOM 651 N ASP A 44 -11.606 0.241 7.679 1.00 0.00 N ATOM 652 CA ASP A 44 -11.161 1.664 7.860 1.00 0.00 C ATOM 653 C ASP A 44 -9.629 1.718 7.871 1.00 0.00 C ATOM 654 O ASP A 44 -9.021 1.820 8.917 1.00 0.00 O ATOM 655 CB ASP A 44 -11.686 2.188 9.194 1.00 0.00 C ATOM 656 CG ASP A 44 -11.237 1.253 10.314 1.00 0.00 C ATOM 657 OD1 ASP A 44 -11.757 0.152 10.381 1.00 0.00 O ATOM 658 OD2 ASP A 44 -10.380 1.652 11.086 1.00 0.00 O ATOM 0 H ASP A 44 -11.170 -0.423 8.319 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.546 2.275 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.313 3.196 9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.774 2.250 9.171 1.00 0.00 H new ATOM 663 N PRO A 45 -8.996 1.647 6.724 1.00 0.00 N ATOM 664 CA PRO A 45 -7.516 1.694 6.646 1.00 0.00 C ATOM 665 C PRO A 45 -7.009 3.129 6.794 1.00 0.00 C ATOM 666 O PRO A 45 -5.914 3.366 7.250 1.00 0.00 O ATOM 667 CB PRO A 45 -7.193 1.098 5.257 1.00 0.00 C ATOM 668 CG PRO A 45 -8.436 1.309 4.419 1.00 0.00 C ATOM 669 CD PRO A 45 -9.621 1.539 5.391 1.00 0.00 C ATOM 0 HA PRO A 45 -7.028 1.138 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.331 1.593 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.948 0.039 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.311 2.166 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.623 0.442 3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.171 2.445 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.331 0.713 5.352 1.00 0.00 H new ATOM 677 N ARG A 46 -7.811 4.085 6.421 1.00 0.00 N ATOM 678 CA ARG A 46 -7.380 5.505 6.544 1.00 0.00 C ATOM 679 C ARG A 46 -7.204 5.850 8.021 1.00 0.00 C ATOM 680 O ARG A 46 -6.239 6.474 8.409 1.00 0.00 O ATOM 681 CB ARG A 46 -8.437 6.416 5.898 1.00 0.00 C ATOM 682 CG ARG A 46 -8.541 6.120 4.380 1.00 0.00 C ATOM 683 CD ARG A 46 -7.379 6.783 3.613 1.00 0.00 C ATOM 684 NE ARG A 46 -7.312 6.259 2.213 1.00 0.00 N ATOM 685 CZ ARG A 46 -6.602 6.889 1.310 1.00 0.00 C ATOM 686 NH1 ARG A 46 -6.155 8.094 1.537 1.00 0.00 N ATOM 687 NH2 ARG A 46 -6.353 6.318 0.168 1.00 0.00 N ATOM 0 H ARG A 46 -8.745 3.946 6.037 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.430 5.654 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.405 6.258 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.172 7.462 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.526 5.043 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.493 6.488 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.515 7.864 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.438 6.588 4.127 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.819 5.411 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.357 8.554 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.603 8.575 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.710 5.382 -0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.800 6.806 -0.537 1.00 0.00 H new ATOM 701 N ASN A 47 -8.138 5.463 8.846 1.00 0.00 N ATOM 702 CA ASN A 47 -8.038 5.782 10.303 1.00 0.00 C ATOM 703 C ASN A 47 -6.642 5.415 10.835 1.00 0.00 C ATOM 704 O ASN A 47 -6.140 6.051 11.743 1.00 0.00 O ATOM 705 CB ASN A 47 -9.120 4.995 11.057 1.00 0.00 C ATOM 706 CG ASN A 47 -8.959 5.180 12.568 1.00 0.00 C ATOM 707 OD1 ASN A 47 -8.879 6.292 13.051 1.00 0.00 O ATOM 708 ND2 ASN A 47 -8.907 4.126 13.339 1.00 0.00 N ATOM 0 H ASN A 47 -8.969 4.938 8.575 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.189 6.851 10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.108 5.334 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.052 3.937 10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.799 4.236 14.347 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.974 3.193 12.932 1.00 0.00 H new ATOM 715 N TRP A 48 -6.008 4.406 10.276 1.00 0.00 N ATOM 716 CA TRP A 48 -4.632 4.005 10.741 1.00 0.00 C ATOM 717 C TRP A 48 -3.732 3.741 9.532 1.00 0.00 C ATOM 718 O TRP A 48 -2.782 2.988 9.605 1.00 0.00 O ATOM 719 CB TRP A 48 -4.728 2.743 11.604 1.00 0.00 C ATOM 720 CG TRP A 48 -5.309 1.616 10.818 1.00 0.00 C ATOM 721 CD1 TRP A 48 -6.595 1.533 10.412 1.00 0.00 C ATOM 722 CD2 TRP A 48 -4.655 0.400 10.360 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.770 0.347 9.724 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.601 -0.385 9.663 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.342 -0.090 10.474 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -5.258 -1.614 9.101 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.993 -1.328 9.910 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.949 -2.088 9.224 1.00 0.00 C ATOM 0 H TRP A 48 -6.384 3.840 9.515 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.203 4.813 11.333 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.738 2.468 11.968 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.346 2.940 12.480 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.361 2.272 10.595 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.654 0.049 9.312 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.597 0.489 10.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.999 -2.196 8.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.982 -1.696 10.006 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.675 -3.039 8.791 1.00 0.00 H new ATOM 739 N GLY A 49 -4.036 4.343 8.412 1.00 0.00 N ATOM 740 CA GLY A 49 -3.211 4.119 7.179 1.00 0.00 C ATOM 741 C GLY A 49 -2.037 5.101 7.137 1.00 0.00 C ATOM 742 O GLY A 49 -1.134 4.963 6.337 1.00 0.00 O ATOM 0 H GLY A 49 -4.822 4.983 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.838 3.095 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.831 4.245 6.291 1.00 0.00 H new ATOM 746 N HIS A 50 -2.039 6.093 7.983 1.00 0.00 N ATOM 747 CA HIS A 50 -0.917 7.077 7.980 1.00 0.00 C ATOM 748 C HIS A 50 0.373 6.380 8.423 1.00 0.00 C ATOM 749 O HIS A 50 1.434 6.611 7.877 1.00 0.00 O ATOM 750 CB HIS A 50 -1.245 8.226 8.941 1.00 0.00 C ATOM 751 CG HIS A 50 -2.400 9.021 8.397 1.00 0.00 C ATOM 752 ND1 HIS A 50 -2.228 10.019 7.449 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.749 8.974 8.650 1.00 0.00 C ATOM 754 CE1 HIS A 50 -3.443 10.527 7.171 1.00 0.00 C ATOM 755 NE2 HIS A 50 -4.405 9.926 7.875 1.00 0.00 N ATOM 0 H HIS A 50 -2.767 6.266 8.676 1.00 0.00 H new ATOM 0 HA HIS A 50 -0.782 7.477 6.975 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.494 7.831 9.926 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.374 8.869 9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.228 8.300 9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.618 11.324 6.464 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -5.406 10.122 7.850 1.00 0.00 H new ATOM 763 N GLY A 51 0.279 5.525 9.413 1.00 0.00 N ATOM 764 CA GLY A 51 1.483 4.785 9.922 1.00 0.00 C ATOM 765 C GLY A 51 1.080 3.345 10.229 1.00 0.00 C ATOM 766 O GLY A 51 0.211 2.805 9.584 1.00 0.00 O ATOM 0 H GLY A 51 -0.591 5.304 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.280 4.804 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.872 5.268 10.819 1.00 0.00 H new ATOM 770 N ARG A 52 1.700 2.738 11.216 1.00 0.00 N ATOM 771 CA ARG A 52 1.364 1.322 11.593 1.00 0.00 C ATOM 772 C ARG A 52 1.346 0.417 10.340 1.00 0.00 C ATOM 773 O ARG A 52 2.255 -0.352 10.108 1.00 0.00 O ATOM 774 CB ARG A 52 -0.015 1.279 12.259 1.00 0.00 C ATOM 775 CG ARG A 52 0.007 1.934 13.652 1.00 0.00 C ATOM 776 CD ARG A 52 -1.409 1.812 14.235 1.00 0.00 C ATOM 777 NE ARG A 52 -1.541 2.437 15.589 1.00 0.00 N ATOM 778 CZ ARG A 52 -1.159 1.795 16.662 1.00 0.00 C ATOM 779 NH1 ARG A 52 -0.278 0.839 16.586 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.621 2.155 17.827 1.00 0.00 N ATOM 0 H ARG A 52 2.432 3.166 11.783 1.00 0.00 H new ATOM 0 HA ARG A 52 2.124 0.959 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.741 1.791 11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.344 0.244 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.733 1.440 14.298 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.305 2.980 13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.118 2.282 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.680 0.758 14.300 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.933 3.374 15.675 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.121 0.584 15.683 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.013 0.345 17.430 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.276 2.933 17.897 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.327 1.658 18.668 1.00 0.00 H new ATOM 794 N LEU A 53 0.318 0.519 9.526 1.00 0.00 N ATOM 795 CA LEU A 53 0.222 -0.309 8.282 1.00 0.00 C ATOM 796 C LEU A 53 1.525 -0.161 7.497 1.00 0.00 C ATOM 797 O LEU A 53 2.060 -1.116 6.976 1.00 0.00 O ATOM 798 CB LEU A 53 -0.954 0.221 7.435 1.00 0.00 C ATOM 799 CG LEU A 53 -1.111 -0.558 6.109 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.462 -2.036 6.378 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.233 0.097 5.289 1.00 0.00 C ATOM 0 H LEU A 53 -0.469 1.151 9.676 1.00 0.00 H new ATOM 0 HA LEU A 53 0.059 -1.359 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.877 0.147 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.797 1.278 7.218 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.169 -0.527 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.567 -2.563 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.667 -2.498 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.400 -2.092 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.358 -0.440 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.165 0.061 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.974 1.135 5.082 1.00 0.00 H new ATOM 813 N SER A 54 2.042 1.033 7.423 1.00 0.00 N ATOM 814 CA SER A 54 3.318 1.246 6.689 1.00 0.00 C ATOM 815 C SER A 54 4.439 0.478 7.397 1.00 0.00 C ATOM 816 O SER A 54 5.395 0.045 6.784 1.00 0.00 O ATOM 817 CB SER A 54 3.644 2.738 6.672 1.00 0.00 C ATOM 818 OG SER A 54 3.752 3.205 8.008 1.00 0.00 O ATOM 0 H SER A 54 1.635 1.871 7.840 1.00 0.00 H new ATOM 0 HA SER A 54 3.223 0.885 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.577 2.913 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.865 3.287 6.144 1.00 0.00 H new ATOM 0 HG SER A 54 4.117 4.115 8.008 1.00 0.00 H new ATOM 824 N GLN A 55 4.328 0.309 8.692 1.00 0.00 N ATOM 825 CA GLN A 55 5.382 -0.434 9.457 1.00 0.00 C ATOM 826 C GLN A 55 5.087 -1.938 9.409 1.00 0.00 C ATOM 827 O GLN A 55 5.983 -2.755 9.470 1.00 0.00 O ATOM 828 CB GLN A 55 5.369 0.031 10.918 1.00 0.00 C ATOM 829 CG GLN A 55 5.662 1.533 10.992 1.00 0.00 C ATOM 830 CD GLN A 55 7.094 1.809 10.531 1.00 0.00 C ATOM 831 OE1 GLN A 55 8.024 1.176 10.989 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.311 2.736 9.638 1.00 0.00 N ATOM 0 H GLN A 55 3.551 0.654 9.255 1.00 0.00 H new ATOM 0 HA GLN A 55 6.358 -0.237 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.399 -0.181 11.367 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.113 -0.522 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.958 2.081 10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.525 1.889 12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.529 3.267 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.262 2.929 9.324 1.00 0.00 H new ATOM 841 N MET A 56 3.839 -2.310 9.304 1.00 0.00 N ATOM 842 CA MET A 56 3.497 -3.762 9.259 1.00 0.00 C ATOM 843 C MET A 56 4.110 -4.384 8.000 1.00 0.00 C ATOM 844 O MET A 56 4.637 -5.478 8.033 1.00 0.00 O ATOM 845 CB MET A 56 1.970 -3.938 9.235 1.00 0.00 C ATOM 846 CG MET A 56 1.388 -3.628 10.617 1.00 0.00 C ATOM 847 SD MET A 56 -0.404 -3.881 10.582 1.00 0.00 S ATOM 848 CE MET A 56 -0.764 -3.152 12.197 1.00 0.00 C ATOM 0 H MET A 56 3.044 -1.674 9.248 1.00 0.00 H new ATOM 0 HA MET A 56 3.896 -4.258 10.144 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.531 -3.276 8.489 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.717 -4.958 8.945 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.843 -4.273 11.369 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.616 -2.600 10.898 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.836 -3.202 12.388 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.232 -3.703 12.972 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.442 -2.111 12.206 1.00 0.00 H new ATOM 858 N VAL A 57 4.046 -3.697 6.893 1.00 0.00 N ATOM 859 CA VAL A 57 4.629 -4.257 5.641 1.00 0.00 C ATOM 860 C VAL A 57 6.134 -4.465 5.843 1.00 0.00 C ATOM 861 O VAL A 57 6.691 -5.466 5.435 1.00 0.00 O ATOM 862 CB VAL A 57 4.362 -3.292 4.465 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.883 -3.373 4.059 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.682 -1.851 4.878 1.00 0.00 C ATOM 0 H VAL A 57 3.617 -2.776 6.801 1.00 0.00 H new ATOM 0 HA VAL A 57 4.166 -5.216 5.408 1.00 0.00 H new ATOM 0 HB VAL A 57 4.997 -3.579 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.696 -2.692 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.645 -4.392 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.257 -3.093 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.490 -1.181 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.054 -1.566 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.731 -1.779 5.166 1.00 0.00 H new ATOM 874 N LYS A 58 6.791 -3.534 6.476 1.00 0.00 N ATOM 875 CA LYS A 58 8.251 -3.674 6.720 1.00 0.00 C ATOM 876 C LYS A 58 8.502 -4.818 7.708 1.00 0.00 C ATOM 877 O LYS A 58 9.515 -5.486 7.656 1.00 0.00 O ATOM 878 CB LYS A 58 8.798 -2.364 7.297 1.00 0.00 C ATOM 879 CG LYS A 58 10.325 -2.440 7.390 1.00 0.00 C ATOM 880 CD LYS A 58 10.875 -1.094 7.866 1.00 0.00 C ATOM 881 CE LYS A 58 12.403 -1.165 7.942 1.00 0.00 C ATOM 882 NZ LYS A 58 12.952 -1.432 6.583 1.00 0.00 N ATOM 0 H LYS A 58 6.375 -2.676 6.837 1.00 0.00 H new ATOM 0 HA LYS A 58 8.757 -3.896 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.504 -1.526 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.372 -2.184 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.619 -3.230 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.747 -2.694 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.571 -0.302 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.463 -0.846 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.803 -0.229 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.708 -1.952 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.938 -1.105 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.916 -2.453 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.385 -0.925 5.874 1.00 0.00 H new ATOM 896 N LYS A 59 7.589 -5.040 8.626 1.00 0.00 N ATOM 897 CA LYS A 59 7.777 -6.129 9.641 1.00 0.00 C ATOM 898 C LYS A 59 7.198 -7.451 9.121 1.00 0.00 C ATOM 899 O LYS A 59 7.300 -8.473 9.768 1.00 0.00 O ATOM 900 CB LYS A 59 7.058 -5.731 10.935 1.00 0.00 C ATOM 901 CG LYS A 59 7.748 -4.501 11.535 1.00 0.00 C ATOM 902 CD LYS A 59 7.008 -4.049 12.797 1.00 0.00 C ATOM 903 CE LYS A 59 7.703 -2.816 13.378 1.00 0.00 C ATOM 904 NZ LYS A 59 6.976 -2.360 14.597 1.00 0.00 N ATOM 0 H LYS A 59 6.720 -4.513 8.716 1.00 0.00 H new ATOM 0 HA LYS A 59 8.842 -6.265 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.010 -5.512 10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.078 -6.557 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.785 -4.737 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.767 -3.692 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.970 -3.817 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.995 -4.853 13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.738 -3.053 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.728 -2.017 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.450 -1.522 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.996 -2.118 14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.974 -3.121 15.305 1.00 0.00 H new ATOM 918 N LEU A 60 6.607 -7.444 7.952 1.00 0.00 N ATOM 919 CA LEU A 60 6.035 -8.709 7.375 1.00 0.00 C ATOM 920 C LEU A 60 7.125 -9.438 6.578 1.00 0.00 C ATOM 921 O LEU A 60 6.874 -10.447 5.955 1.00 0.00 O ATOM 922 CB LEU A 60 4.821 -8.362 6.468 1.00 0.00 C ATOM 923 CG LEU A 60 3.502 -8.313 7.303 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.461 -7.396 6.627 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.917 -9.737 7.429 1.00 0.00 C ATOM 0 H LEU A 60 6.494 -6.616 7.367 1.00 0.00 H new ATOM 0 HA LEU A 60 5.690 -9.365 8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.986 -7.400 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.728 -9.105 5.676 1.00 0.00 H new ATOM 0 HG LEU A 60 3.733 -7.915 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.550 -7.377 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.864 -6.386 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.233 -7.777 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.997 -9.702 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.703 -10.132 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.638 -10.384 7.928 1.00 0.00 H new ATOM 937 N ASP A 61 8.330 -8.937 6.619 1.00 0.00 N ATOM 938 CA ASP A 61 9.469 -9.590 5.899 1.00 0.00 C ATOM 939 C ASP A 61 9.179 -9.749 4.397 1.00 0.00 C ATOM 940 O ASP A 61 9.723 -9.037 3.579 1.00 0.00 O ATOM 941 CB ASP A 61 9.748 -10.971 6.512 1.00 0.00 C ATOM 942 CG ASP A 61 11.004 -11.577 5.872 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.513 -10.993 4.927 1.00 0.00 O ATOM 944 OD2 ASP A 61 11.434 -12.619 6.338 1.00 0.00 O ATOM 0 H ASP A 61 8.580 -8.089 7.128 1.00 0.00 H new ATOM 0 HA ASP A 61 10.342 -8.946 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.885 -10.880 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.894 -11.629 6.354 1.00 0.00 H new ATOM 949 N PHE A 62 8.357 -10.693 4.017 1.00 0.00 N ATOM 950 CA PHE A 62 8.084 -10.908 2.558 1.00 0.00 C ATOM 951 C PHE A 62 7.356 -9.708 1.929 1.00 0.00 C ATOM 952 O PHE A 62 6.666 -9.854 0.941 1.00 0.00 O ATOM 953 CB PHE A 62 7.254 -12.188 2.370 1.00 0.00 C ATOM 954 CG PHE A 62 5.881 -12.030 2.993 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.700 -12.283 4.360 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.787 -11.630 2.209 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.434 -12.137 4.940 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.523 -11.485 2.789 1.00 0.00 C ATOM 959 CZ PHE A 62 3.345 -11.736 4.154 1.00 0.00 C ATOM 0 H PHE A 62 7.863 -11.324 4.649 1.00 0.00 H new ATOM 0 HA PHE A 62 9.042 -11.013 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.154 -12.410 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.771 -13.033 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.539 -12.591 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.922 -11.434 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.297 -12.333 5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.683 -11.179 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.369 -11.621 4.602 1.00 0.00 H new ATOM 969 N LEU A 63 7.527 -8.519 2.465 1.00 0.00 N ATOM 970 CA LEU A 63 6.876 -7.288 1.885 1.00 0.00 C ATOM 971 C LEU A 63 7.973 -6.250 1.598 1.00 0.00 C ATOM 972 O LEU A 63 8.755 -5.899 2.459 1.00 0.00 O ATOM 973 CB LEU A 63 5.839 -6.725 2.904 1.00 0.00 C ATOM 974 CG LEU A 63 4.381 -6.981 2.441 1.00 0.00 C ATOM 975 CD1 LEU A 63 4.063 -6.197 1.134 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.139 -8.499 2.238 1.00 0.00 C ATOM 0 H LEU A 63 8.098 -8.344 3.292 1.00 0.00 H new ATOM 0 HA LEU A 63 6.354 -7.528 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.998 -7.188 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.998 -5.654 3.030 1.00 0.00 H new ATOM 0 HG LEU A 63 3.709 -6.621 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.034 -6.395 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.190 -5.129 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.741 -6.518 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.112 -8.663 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.824 -8.879 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.311 -9.024 3.178 1.00 0.00 H new ATOM 988 N THR A 64 8.020 -5.754 0.390 1.00 0.00 N ATOM 989 CA THR A 64 9.042 -4.731 0.017 1.00 0.00 C ATOM 990 C THR A 64 8.482 -3.346 0.328 1.00 0.00 C ATOM 991 O THR A 64 7.309 -3.098 0.142 1.00 0.00 O ATOM 992 CB THR A 64 9.324 -4.843 -1.482 1.00 0.00 C ATOM 993 OG1 THR A 64 9.723 -6.170 -1.788 1.00 0.00 O ATOM 994 CG2 THR A 64 10.437 -3.872 -1.874 1.00 0.00 C ATOM 0 H THR A 64 7.386 -6.017 -0.364 1.00 0.00 H new ATOM 0 HA THR A 64 9.964 -4.890 0.577 1.00 0.00 H new ATOM 0 HB THR A 64 8.420 -4.595 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.903 -6.244 -2.749 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.634 -3.956 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.129 -2.853 -1.641 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.343 -4.114 -1.318 1.00 0.00 H new ATOM 1002 N VAL A 65 9.307 -2.443 0.809 1.00 0.00 N ATOM 1003 CA VAL A 65 8.836 -1.055 1.147 1.00 0.00 C ATOM 1004 C VAL A 65 9.780 -0.031 0.515 1.00 0.00 C ATOM 1005 O VAL A 65 10.985 -0.118 0.644 1.00 0.00 O ATOM 1006 CB VAL A 65 8.834 -0.883 2.670 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.351 0.524 3.041 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.894 -1.921 3.286 1.00 0.00 C ATOM 0 H VAL A 65 10.298 -2.609 0.984 1.00 0.00 H new ATOM 0 HA VAL A 65 7.828 -0.902 0.761 1.00 0.00 H new ATOM 0 HB VAL A 65 9.846 -1.021 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.353 0.635 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.016 1.265 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.339 0.673 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.886 -1.807 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.886 -1.775 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.240 -2.922 3.029 1.00 0.00 H new ATOM 1018 N GLN A 66 9.234 0.949 -0.164 1.00 0.00 N ATOM 1019 CA GLN A 66 10.078 2.005 -0.811 1.00 0.00 C ATOM 1020 C GLN A 66 9.331 3.337 -0.752 1.00 0.00 C ATOM 1021 O GLN A 66 8.120 3.371 -0.666 1.00 0.00 O ATOM 1022 CB GLN A 66 10.341 1.642 -2.278 1.00 0.00 C ATOM 1023 CG GLN A 66 11.222 0.392 -2.350 1.00 0.00 C ATOM 1024 CD GLN A 66 11.595 0.104 -3.807 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.949 0.704 -4.769 1.00 0.00 O flip ATOM 1026 NE2 GLN A 66 12.489 -0.676 -4.072 1.00 0.00 N flip ATOM 0 H GLN A 66 8.230 1.064 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 66 11.030 2.080 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.397 1.464 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.830 2.473 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.124 0.537 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.694 -0.461 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.995 -1.146 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.733 -0.861 -5.045 1.00 0.00 H new ATOM 1035 N GLU A 67 10.052 4.435 -0.796 1.00 0.00 N ATOM 1036 CA GLU A 67 9.413 5.791 -0.741 1.00 0.00 C ATOM 1037 C GLU A 67 9.647 6.509 -2.067 1.00 0.00 C ATOM 1038 O GLU A 67 10.770 6.689 -2.497 1.00 0.00 O ATOM 1039 CB GLU A 67 10.060 6.597 0.390 1.00 0.00 C ATOM 1040 CG GLU A 67 9.688 5.976 1.746 1.00 0.00 C ATOM 1041 CD GLU A 67 10.398 4.627 1.916 1.00 0.00 C ATOM 1042 OE1 GLU A 67 11.415 4.427 1.274 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.907 3.818 2.685 1.00 0.00 O ATOM 0 H GLU A 67 11.069 4.449 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 67 8.342 5.692 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.143 6.608 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.725 7.633 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.971 6.650 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.608 5.839 1.809 1.00 0.00 H new ATOM 1050 N SER A 68 8.583 6.933 -2.710 1.00 0.00 N ATOM 1051 CA SER A 68 8.700 7.661 -4.017 1.00 0.00 C ATOM 1052 C SER A 68 8.331 9.124 -3.806 1.00 0.00 C ATOM 1053 O SER A 68 7.542 9.461 -2.946 1.00 0.00 O ATOM 1054 CB SER A 68 7.735 7.050 -5.028 1.00 0.00 C ATOM 1055 OG SER A 68 6.400 7.213 -4.567 1.00 0.00 O ATOM 0 H SER A 68 7.626 6.804 -2.381 1.00 0.00 H new ATOM 0 HA SER A 68 9.722 7.581 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.857 7.530 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.957 5.992 -5.165 1.00 0.00 H new ATOM 0 HG SER A 68 6.026 8.040 -4.935 1.00 0.00 H new ATOM 1061 N ARG A 69 8.896 9.995 -4.593 1.00 0.00 N ATOM 1062 CA ARG A 69 8.591 11.449 -4.458 1.00 0.00 C ATOM 1063 C ARG A 69 7.316 11.775 -5.240 1.00 0.00 C ATOM 1064 O ARG A 69 7.167 11.418 -6.392 1.00 0.00 O ATOM 1065 CB ARG A 69 9.780 12.271 -5.012 1.00 0.00 C ATOM 1066 CG ARG A 69 10.337 11.647 -6.351 1.00 0.00 C ATOM 1067 CD ARG A 69 11.770 11.034 -6.195 1.00 0.00 C ATOM 1068 NE ARG A 69 11.703 9.528 -6.159 1.00 0.00 N ATOM 1069 CZ ARG A 69 12.536 8.832 -5.395 1.00 0.00 C ATOM 1070 NH1 ARG A 69 13.021 9.326 -4.275 1.00 0.00 N ATOM 1071 NH2 ARG A 69 12.818 7.595 -5.704 1.00 0.00 N ATOM 0 H ARG A 69 9.561 9.762 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 69 8.438 11.701 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.462 13.298 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.576 12.310 -4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.653 10.872 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.360 12.418 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.401 11.355 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.232 11.405 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 69 11.011 9.039 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.758 10.265 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.659 8.770 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.399 7.167 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.458 7.056 -5.120 1.00 0.00 H new ATOM 1085 N ASN A 70 6.393 12.459 -4.613 1.00 0.00 N ATOM 1086 CA ASN A 70 5.118 12.824 -5.301 1.00 0.00 C ATOM 1087 C ASN A 70 4.565 14.117 -4.689 1.00 0.00 C ATOM 1088 O ASN A 70 4.158 14.157 -3.541 1.00 0.00 O ATOM 1089 CB ASN A 70 4.116 11.681 -5.133 1.00 0.00 C ATOM 1090 CG ASN A 70 4.585 10.472 -5.948 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.098 9.441 -5.333 1.00 0.00 O flip ATOM 1092 ND2 ASN A 70 4.492 10.471 -7.161 1.00 0.00 N flip ATOM 0 H ASN A 70 6.469 12.782 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 70 5.296 12.987 -6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.027 11.412 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.127 11.997 -5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.091 11.276 -7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.815 9.665 -7.697 1.00 0.00 H new ATOM 1099 N GLY A 71 4.553 15.173 -5.453 1.00 0.00 N ATOM 1100 CA GLY A 71 4.030 16.466 -4.932 1.00 0.00 C ATOM 1101 C GLY A 71 4.856 16.911 -3.726 1.00 0.00 C ATOM 1102 O GLY A 71 6.053 16.704 -3.666 1.00 0.00 O ATOM 0 H GLY A 71 4.884 15.196 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.071 17.226 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.984 16.357 -4.647 1.00 0.00 H new ATOM 1106 N SER A 72 4.220 17.527 -2.764 1.00 0.00 N ATOM 1107 CA SER A 72 4.944 18.007 -1.545 1.00 0.00 C ATOM 1108 C SER A 72 4.885 16.941 -0.453 1.00 0.00 C ATOM 1109 O SER A 72 5.376 17.149 0.640 1.00 0.00 O ATOM 1110 CB SER A 72 4.276 19.282 -1.036 1.00 0.00 C ATOM 1111 OG SER A 72 2.977 18.972 -0.550 1.00 0.00 O ATOM 0 H SER A 72 3.219 17.721 -2.769 1.00 0.00 H new ATOM 0 HA SER A 72 5.985 18.206 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.876 19.729 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.210 20.017 -1.838 1.00 0.00 H new ATOM 0 HG SER A 72 2.547 19.789 -0.221 1.00 0.00 H new ATOM 1117 N LYS A 73 4.279 15.802 -0.731 1.00 0.00 N ATOM 1118 CA LYS A 73 4.174 14.710 0.302 1.00 0.00 C ATOM 1119 C LYS A 73 4.780 13.419 -0.242 1.00 0.00 C ATOM 1120 O LYS A 73 4.546 13.032 -1.369 1.00 0.00 O ATOM 1121 CB LYS A 73 2.699 14.463 0.629 1.00 0.00 C ATOM 1122 CG LYS A 73 2.094 15.719 1.270 1.00 0.00 C ATOM 1123 CD LYS A 73 0.680 15.419 1.793 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.288 15.137 0.628 1.00 0.00 C ATOM 1125 NZ LYS A 73 -1.691 15.234 1.117 1.00 0.00 N ATOM 0 H LYS A 73 3.852 15.582 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 73 4.712 15.016 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.153 14.208 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.604 13.615 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.728 16.060 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.056 16.527 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.710 14.559 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.317 16.265 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.122 15.851 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.102 14.144 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.346 15.044 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.844 14.536 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.864 16.190 1.488 1.00 0.00 H new ATOM 1139 N LEU A 74 5.554 12.745 0.566 1.00 0.00 N ATOM 1140 CA LEU A 74 6.177 11.467 0.119 1.00 0.00 C ATOM 1141 C LEU A 74 5.102 10.383 0.125 1.00 0.00 C ATOM 1142 O LEU A 74 4.366 10.239 1.082 1.00 0.00 O ATOM 1143 CB LEU A 74 7.304 11.084 1.093 1.00 0.00 C ATOM 1144 CG LEU A 74 8.474 12.091 1.001 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.410 11.897 2.203 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.278 11.886 -0.305 1.00 0.00 C ATOM 0 H LEU A 74 5.782 13.026 1.520 1.00 0.00 H new ATOM 0 HA LEU A 74 6.593 11.576 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.918 11.060 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.663 10.080 0.865 1.00 0.00 H new ATOM 0 HG LEU A 74 8.061 13.100 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.235 12.606 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.856 12.066 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.804 10.881 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.095 12.606 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.684 10.875 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.622 12.033 -1.163 1.00 0.00 H new ATOM 1158 N HIS A 75 5.007 9.617 -0.936 1.00 0.00 N ATOM 1159 CA HIS A 75 3.976 8.527 -1.014 1.00 0.00 C ATOM 1160 C HIS A 75 4.659 7.178 -0.812 1.00 0.00 C ATOM 1161 O HIS A 75 5.495 6.768 -1.593 1.00 0.00 O ATOM 1162 CB HIS A 75 3.312 8.560 -2.393 1.00 0.00 C ATOM 1163 CG HIS A 75 2.538 9.843 -2.553 1.00 0.00 C ATOM 1164 ND1 HIS A 75 1.950 10.204 -3.756 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.251 10.865 -1.677 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.346 11.393 -3.573 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.498 11.839 -2.325 1.00 0.00 N ATOM 0 H HIS A 75 5.604 9.699 -1.759 1.00 0.00 H new ATOM 0 HA HIS A 75 3.221 8.675 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.069 8.481 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.645 7.705 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.563 10.905 -0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.804 11.922 -4.343 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.139 12.708 -1.930 1.00 0.00 H new ATOM 1175 N SER A 76 4.306 6.481 0.233 1.00 0.00 N ATOM 1176 CA SER A 76 4.930 5.157 0.492 1.00 0.00 C ATOM 1177 C SER A 76 4.484 4.165 -0.581 1.00 0.00 C ATOM 1178 O SER A 76 3.332 4.138 -0.969 1.00 0.00 O ATOM 1179 CB SER A 76 4.492 4.642 1.865 1.00 0.00 C ATOM 1180 OG SER A 76 4.895 3.287 2.009 1.00 0.00 O ATOM 0 H SER A 76 3.610 6.774 0.919 1.00 0.00 H new ATOM 0 HA SER A 76 6.015 5.260 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.935 5.251 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.410 4.725 1.969 1.00 0.00 H new ATOM 0 HG SER A 76 4.617 2.955 2.888 1.00 0.00 H new ATOM 1186 N GLU A 77 5.391 3.339 -1.050 1.00 0.00 N ATOM 1187 CA GLU A 77 5.055 2.313 -2.096 1.00 0.00 C ATOM 1188 C GLU A 77 5.491 0.942 -1.591 1.00 0.00 C ATOM 1189 O GLU A 77 6.500 0.810 -0.927 1.00 0.00 O ATOM 1190 CB GLU A 77 5.801 2.628 -3.396 1.00 0.00 C ATOM 1191 CG GLU A 77 5.234 3.906 -4.023 1.00 0.00 C ATOM 1192 CD GLU A 77 5.983 4.229 -5.320 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.875 3.474 -5.675 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.649 5.226 -5.938 1.00 0.00 O ATOM 0 H GLU A 77 6.365 3.331 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 77 3.982 2.325 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.865 2.752 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.703 1.796 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.171 3.780 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.327 4.737 -3.323 1.00 0.00 H new ATOM 1201 N ILE A 78 4.729 -0.081 -1.900 1.00 0.00 N ATOM 1202 CA ILE A 78 5.071 -1.467 -1.443 1.00 0.00 C ATOM 1203 C ILE A 78 4.894 -2.456 -2.592 1.00 0.00 C ATOM 1204 O ILE A 78 4.169 -2.202 -3.534 1.00 0.00 O ATOM 1205 CB ILE A 78 4.150 -1.852 -0.278 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.673 -1.753 -0.705 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.402 -0.898 0.892 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.778 -2.281 0.420 1.00 0.00 C ATOM 0 H ILE A 78 3.876 -0.014 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 78 6.110 -1.495 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 78 4.362 -2.879 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.418 -0.718 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.508 -2.329 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.751 -1.164 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.443 -0.974 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.191 0.125 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.733 -2.211 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.027 -3.322 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.936 -1.686 1.320 1.00 0.00 H new ATOM 1220 N ARG A 79 5.539 -3.595 -2.515 1.00 0.00 N ATOM 1221 CA ARG A 79 5.400 -4.618 -3.599 1.00 0.00 C ATOM 1222 C ARG A 79 5.526 -6.006 -2.977 1.00 0.00 C ATOM 1223 O ARG A 79 6.344 -6.236 -2.109 1.00 0.00 O ATOM 1224 CB ARG A 79 6.506 -4.422 -4.644 1.00 0.00 C ATOM 1225 CG ARG A 79 6.257 -5.341 -5.851 1.00 0.00 C ATOM 1226 CD ARG A 79 7.346 -5.118 -6.920 1.00 0.00 C ATOM 1227 NE ARG A 79 6.883 -5.688 -8.224 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.729 -5.891 -9.205 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.014 -5.781 -9.009 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.280 -6.226 -10.383 1.00 0.00 N ATOM 0 H ARG A 79 6.156 -3.861 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 79 4.431 -4.512 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.532 -3.382 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.478 -4.643 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.258 -6.383 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.273 -5.139 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.553 -4.053 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.277 -5.594 -6.612 1.00 0.00 H new ATOM 0 HE ARG A 79 5.898 -5.921 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.370 -5.535 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.663 -5.941 -9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.277 -6.328 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.932 -6.386 -11.151 1.00 0.00 H new ATOM 1244 N LEU A 80 4.727 -6.933 -3.418 1.00 0.00 N ATOM 1245 CA LEU A 80 4.804 -8.308 -2.860 1.00 0.00 C ATOM 1246 C LEU A 80 6.211 -8.858 -3.126 1.00 0.00 C ATOM 1247 O LEU A 80 6.565 -9.185 -4.240 1.00 0.00 O ATOM 1248 CB LEU A 80 3.728 -9.177 -3.556 1.00 0.00 C ATOM 1249 CG LEU A 80 3.282 -10.344 -2.650 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.506 -11.181 -2.243 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.540 -9.812 -1.387 1.00 0.00 C ATOM 0 H LEU A 80 4.022 -6.797 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 80 4.621 -8.314 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.866 -8.560 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.124 -9.571 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 80 2.588 -10.974 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.188 -12.004 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.987 -11.580 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.213 -10.553 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.235 -10.652 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.207 -9.162 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.659 -9.249 -1.693 1.00 0.00 H new ATOM 1263 N ARG A 81 7.018 -8.944 -2.107 1.00 0.00 N ATOM 1264 CA ARG A 81 8.406 -9.451 -2.293 1.00 0.00 C ATOM 1265 C ARG A 81 8.373 -10.928 -2.705 1.00 0.00 C ATOM 1266 O ARG A 81 7.579 -11.706 -2.215 1.00 0.00 O ATOM 1267 CB ARG A 81 9.181 -9.291 -0.980 1.00 0.00 C ATOM 1268 CG ARG A 81 10.673 -9.525 -1.228 1.00 0.00 C ATOM 1269 CD ARG A 81 11.445 -9.345 0.081 1.00 0.00 C ATOM 1270 NE ARG A 81 12.864 -9.746 -0.134 1.00 0.00 N ATOM 1271 CZ ARG A 81 13.721 -9.705 0.850 1.00 0.00 C ATOM 1272 NH1 ARG A 81 13.368 -9.240 2.018 1.00 0.00 N ATOM 1273 NH2 ARG A 81 14.938 -10.126 0.659 1.00 0.00 N ATOM 0 H ARG A 81 6.776 -8.685 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 81 8.900 -8.880 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.023 -8.292 -0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.810 -10.000 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.834 -10.529 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.041 -8.826 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.393 -8.307 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.998 -9.951 0.869 1.00 0.00 H new ATOM 0 HE ARG A 81 13.168 -10.055 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.416 -8.905 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.044 -9.212 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.216 -10.485 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.613 -10.097 1.423 1.00 0.00 H new