USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 28 ASN : amide:sc= -0.363 K(o=-7.1,f=-8.1!) USER MOD Set 1.2: A 30 GLN : amide:sc= -2.47 K(o=-7.1,f=-9.2!) USER MOD Set 1.3: A 75 ASN : amide:sc= -4.27! C(o=-7.1!,f=-13!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 153:sc= -0.0161 (180deg=-0.118) USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -4.88 F(o=-5.4!,f=-4.9) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0.192 (180deg=0.0301) USER MOD Single : A 10 THR OG1 : rot 179:sc= -0.999 USER MOD Single : A 15 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.9!) USER MOD Single : A 16 GLN : amide:sc= -10.2! C(o=-10!,f=-19!) USER MOD Single : A 19 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.1) USER MOD Single : A 23 SER OG : rot 75:sc= 0.728 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0.0494 (180deg=-1.27!) USER MOD Single : A 45 ASN : amide:sc= -6.63! C(o=-6.6!,f=-12!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.791 F(o=-2.5!,f=-0.79) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -4.89 K(o=-4.9,f=-7.1!) USER MOD Single : A 60 MET CE :methyl 169:sc= -0.0542 (180deg=-0.0903) USER MOD Single : A 61 CYS SG : rot -93:sc= -0.52 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -172:sc= -0.43 USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.043 (180deg=-0.326) USER MOD Single : A 72 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-0.66) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.306 (180deg=-1.24) USER MOD Single : A 77 GLN : amide:sc= -6.06! C(o=-6.1!,f=-14!) USER MOD Single : A 79 ASN : amide:sc= -1.98! C(o=-2!,f=-6.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.560 50.444 1.471 1.00 0.00 N ATOM 93 CA LYS A 8 3.916 49.080 1.860 1.00 0.00 C ATOM 94 C LYS A 8 5.422 48.926 2.050 1.00 0.00 C ATOM 95 O LYS A 8 6.206 49.772 1.619 1.00 0.00 O ATOM 96 CB LYS A 8 3.435 48.100 0.789 1.00 0.00 C ATOM 97 CG LYS A 8 1.911 48.179 0.683 1.00 0.00 C ATOM 98 CD LYS A 8 1.399 47.095 -0.271 1.00 0.00 C ATOM 99 CE LYS A 8 -0.118 47.232 -0.430 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.769 47.141 0.910 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.431 48.864 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.891 48.340 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.742 47.085 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.462 48.051 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.613 49.164 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.887 47.189 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.647 46.107 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.361 48.185 -0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.498 46.448 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.799 47.063 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.414 46.302 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.548 47.994 1.462 1.00 0.00 H new ATOM 114 N PHE A 9 5.816 47.833 2.701 1.00 0.00 N ATOM 115 CA PHE A 9 7.227 47.561 2.952 1.00 0.00 C ATOM 116 C PHE A 9 7.918 47.074 1.681 1.00 0.00 C ATOM 117 O PHE A 9 7.272 46.543 0.778 1.00 0.00 O ATOM 118 CB PHE A 9 7.363 46.509 4.055 1.00 0.00 C ATOM 119 CG PHE A 9 6.977 47.127 5.376 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.876 47.971 6.034 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.723 46.863 5.939 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.525 48.554 7.255 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.368 47.447 7.162 1.00 0.00 C ATOM 124 CZ PHE A 9 6.270 48.294 7.820 1.00 0.00 C ATOM 0 H PHE A 9 5.178 47.124 3.063 1.00 0.00 H new ATOM 0 HA PHE A 9 7.707 48.486 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.724 45.653 3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.387 46.139 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.843 48.173 5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.029 46.209 5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.221 49.205 7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.400 47.245 7.597 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.998 48.746 8.762 1.00 0.00 H new ATOM 134 N THR A 10 9.235 47.265 1.612 1.00 0.00 N ATOM 135 CA THR A 10 9.991 46.843 0.435 1.00 0.00 C ATOM 136 C THR A 10 10.402 45.388 0.560 1.00 0.00 C ATOM 137 O THR A 10 10.467 44.849 1.661 1.00 0.00 O ATOM 138 CB THR A 10 11.247 47.704 0.270 1.00 0.00 C ATOM 139 OG1 THR A 10 12.108 47.495 1.377 1.00 0.00 O ATOM 140 CG2 THR A 10 10.858 49.179 0.189 1.00 0.00 C ATOM 0 H THR A 10 9.793 47.702 2.345 1.00 0.00 H new ATOM 0 HA THR A 10 9.349 46.964 -0.438 1.00 0.00 H new ATOM 0 HB THR A 10 11.761 47.422 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.921 48.031 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.756 49.786 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.200 49.335 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.340 49.470 1.103 1.00 0.00 H new ATOM 148 N ASP A 11 10.691 44.756 -0.571 1.00 0.00 N ATOM 149 CA ASP A 11 11.105 43.364 -0.550 1.00 0.00 C ATOM 150 C ASP A 11 12.270 43.187 0.417 1.00 0.00 C ATOM 151 O ASP A 11 12.349 42.190 1.131 1.00 0.00 O ATOM 152 CB ASP A 11 11.529 42.913 -1.949 1.00 0.00 C ATOM 153 CG ASP A 11 10.307 42.812 -2.861 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.213 43.068 -2.384 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.484 42.473 -4.020 1.00 0.00 O1- ATOM 0 H ASP A 11 10.647 45.179 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 11 10.263 42.754 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.246 43.620 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.031 41.947 -1.892 1.00 0.00 H new ATOM 160 N ASP A 12 13.173 44.164 0.434 1.00 0.00 N ATOM 161 CA ASP A 12 14.329 44.104 1.322 1.00 0.00 C ATOM 162 C ASP A 12 13.886 44.171 2.781 1.00 0.00 C ATOM 163 O ASP A 12 14.278 43.343 3.610 1.00 0.00 O ATOM 164 CB ASP A 12 15.261 45.279 1.027 1.00 0.00 C ATOM 165 CG ASP A 12 15.694 45.252 -0.436 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.114 44.490 -1.194 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.602 45.991 -0.778 1.00 0.00 O1- ATOM 0 H ASP A 12 13.127 44.998 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 12 14.851 43.162 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.754 46.219 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.137 45.230 1.674 1.00 0.00 H new ATOM 172 N GLU A 13 13.046 45.152 3.080 1.00 0.00 N ATOM 173 CA GLU A 13 12.531 45.314 4.429 1.00 0.00 C ATOM 174 C GLU A 13 11.667 44.116 4.776 1.00 0.00 C ATOM 175 O GLU A 13 11.632 43.654 5.917 1.00 0.00 O ATOM 176 CB GLU A 13 11.705 46.596 4.506 1.00 0.00 C ATOM 177 CG GLU A 13 12.616 47.807 4.276 1.00 0.00 C ATOM 178 CD GLU A 13 11.811 49.098 4.373 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.594 49.015 4.410 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 12.424 50.152 4.410 1.00 0.00 O ATOM 0 H GLU A 13 12.709 45.843 2.410 1.00 0.00 H new ATOM 0 HA GLU A 13 13.356 45.381 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.913 46.576 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.221 46.671 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.418 47.814 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.087 47.736 3.295 1.00 0.00 H new ATOM 187 N TRP A 14 10.966 43.623 3.766 1.00 0.00 N ATOM 188 CA TRP A 14 10.094 42.482 3.934 1.00 0.00 C ATOM 189 C TRP A 14 10.902 41.252 4.320 1.00 0.00 C ATOM 190 O TRP A 14 10.537 40.527 5.243 1.00 0.00 O ATOM 191 CB TRP A 14 9.343 42.235 2.629 1.00 0.00 C ATOM 192 CG TRP A 14 8.071 41.515 2.910 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.692 40.373 2.306 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.007 41.861 3.849 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.457 39.993 2.803 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.996 40.878 3.757 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.817 42.922 4.758 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.841 40.940 4.538 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.657 42.985 5.546 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.672 41.997 5.437 1.00 0.00 C ATOM 0 H TRP A 14 10.988 44.001 2.819 1.00 0.00 H new ATOM 0 HA TRP A 14 9.380 42.684 4.732 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.134 43.183 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.961 41.649 1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.259 39.841 1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.950 39.161 2.501 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.569 43.692 4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.083 40.176 4.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.524 43.801 6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.782 42.051 6.047 1.00 0.00 H new ATOM 211 N ASN A 15 12.010 41.030 3.623 1.00 0.00 N ATOM 212 CA ASN A 15 12.861 39.885 3.925 1.00 0.00 C ATOM 213 C ASN A 15 13.285 39.929 5.383 1.00 0.00 C ATOM 214 O ASN A 15 13.362 38.905 6.061 1.00 0.00 O ATOM 215 CB ASN A 15 14.112 39.909 3.050 1.00 0.00 C ATOM 216 CG ASN A 15 13.747 39.661 1.592 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.575 39.717 1.224 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.688 39.373 0.737 1.00 0.00 N ATOM 0 H ASN A 15 12.337 41.618 2.856 1.00 0.00 H new ATOM 0 HA ASN A 15 12.296 38.974 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.613 40.872 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.815 39.149 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.453 39.194 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.660 39.327 1.044 1.00 0.00 H new ATOM 225 N GLN A 16 13.555 41.133 5.853 1.00 0.00 N ATOM 226 CA GLN A 16 13.970 41.316 7.233 1.00 0.00 C ATOM 227 C GLN A 16 12.845 40.870 8.162 1.00 0.00 C ATOM 228 O GLN A 16 13.080 40.193 9.164 1.00 0.00 O ATOM 229 CB GLN A 16 14.323 42.782 7.477 1.00 0.00 C ATOM 230 CG GLN A 16 15.759 43.050 7.004 1.00 0.00 C ATOM 231 CD GLN A 16 15.940 42.638 5.544 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.615 41.515 5.165 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.461 43.483 4.699 1.00 0.00 N ATOM 0 H GLN A 16 13.495 41.992 5.306 1.00 0.00 H new ATOM 0 HA GLN A 16 14.854 40.712 7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.627 43.428 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.228 43.018 8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.992 44.109 7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.461 42.500 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.731 44.416 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.598 43.212 3.725 1.00 0.00 H new ATOM 242 N LEU A 17 11.620 41.232 7.805 1.00 0.00 N ATOM 243 CA LEU A 17 10.461 40.844 8.598 1.00 0.00 C ATOM 244 C LEU A 17 10.353 39.323 8.646 1.00 0.00 C ATOM 245 O LEU A 17 10.000 38.745 9.675 1.00 0.00 O ATOM 246 CB LEU A 17 9.190 41.440 7.985 1.00 0.00 C ATOM 247 CG LEU A 17 7.963 41.018 8.801 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.959 41.740 10.150 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.695 41.391 8.028 1.00 0.00 C ATOM 0 H LEU A 17 11.404 41.789 6.978 1.00 0.00 H new ATOM 0 HA LEU A 17 10.578 41.224 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.264 42.527 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.083 41.105 6.953 1.00 0.00 H new ATOM 0 HG LEU A 17 7.996 39.942 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.084 41.435 10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.863 41.483 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.927 42.817 9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.818 41.094 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.673 42.468 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.690 40.877 7.067 1.00 0.00 H new ATOM 261 N LYS A 18 10.664 38.683 7.523 1.00 0.00 N ATOM 262 CA LYS A 18 10.608 37.229 7.447 1.00 0.00 C ATOM 263 C LYS A 18 11.579 36.608 8.441 1.00 0.00 C ATOM 264 O LYS A 18 11.238 35.658 9.142 1.00 0.00 O ATOM 265 CB LYS A 18 10.954 36.763 6.033 1.00 0.00 C ATOM 266 CG LYS A 18 9.946 37.359 5.053 1.00 0.00 C ATOM 267 CD LYS A 18 10.154 36.775 3.657 1.00 0.00 C ATOM 268 CE LYS A 18 9.402 37.640 2.642 1.00 0.00 C ATOM 269 NZ LYS A 18 8.671 36.772 1.678 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.955 39.144 6.661 1.00 0.00 H new ATOM 0 HA LYS A 18 9.596 36.909 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.965 37.076 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.933 35.675 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.931 37.152 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.057 38.443 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.216 36.746 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.791 35.748 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.701 38.295 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.103 38.281 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.844 37.283 1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.302 36.520 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.356 35.906 2.160 1.00 0.00 H new ATOM 283 N GLN A 19 12.796 37.140 8.497 1.00 0.00 N ATOM 284 CA GLN A 19 13.801 36.606 9.409 1.00 0.00 C ATOM 285 C GLN A 19 13.329 36.692 10.853 1.00 0.00 C ATOM 286 O GLN A 19 13.516 35.752 11.626 1.00 0.00 O ATOM 287 CB GLN A 19 15.117 37.368 9.246 1.00 0.00 C ATOM 288 CG GLN A 19 15.706 37.069 7.868 1.00 0.00 C ATOM 289 CD GLN A 19 15.952 35.573 7.723 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.392 34.919 8.668 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.698 34.992 6.582 1.00 0.00 N ATOM 0 H GLN A 19 13.107 37.929 7.930 1.00 0.00 H new ATOM 0 HA GLN A 19 13.959 35.556 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.947 38.439 9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.820 37.075 10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.024 37.411 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.640 37.615 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.333 35.538 5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.864 33.992 6.471 1.00 0.00 H new ATOM 300 N ASP A 20 12.710 37.810 11.218 1.00 0.00 N ATOM 301 CA ASP A 20 12.215 37.971 12.576 1.00 0.00 C ATOM 302 C ASP A 20 11.136 36.933 12.869 1.00 0.00 C ATOM 303 O ASP A 20 11.104 36.344 13.950 1.00 0.00 O ATOM 304 CB ASP A 20 11.654 39.381 12.771 1.00 0.00 C ATOM 305 CG ASP A 20 12.793 40.393 12.800 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.935 39.967 12.863 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.509 41.579 12.767 1.00 0.00 O ATOM 0 H ASP A 20 12.542 38.605 10.602 1.00 0.00 H new ATOM 0 HA ASP A 20 13.043 37.824 13.269 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.963 39.622 11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.088 39.431 13.701 1.00 0.00 H new ATOM 312 N PHE A 21 10.260 36.702 11.895 1.00 0.00 N ATOM 313 CA PHE A 21 9.194 35.727 12.070 1.00 0.00 C ATOM 314 C PHE A 21 9.789 34.325 12.168 1.00 0.00 C ATOM 315 O PHE A 21 9.406 33.536 13.030 1.00 0.00 O ATOM 316 CB PHE A 21 8.211 35.797 10.898 1.00 0.00 C ATOM 317 CG PHE A 21 7.312 37.010 11.037 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.713 38.116 11.803 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.070 37.028 10.389 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.877 39.232 11.918 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.234 38.146 10.508 1.00 0.00 C ATOM 322 CZ PHE A 21 5.637 39.247 11.271 1.00 0.00 C ATOM 0 H PHE A 21 10.268 37.171 10.989 1.00 0.00 H new ATOM 0 HA PHE A 21 8.656 35.954 12.990 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.759 35.848 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.607 34.890 10.866 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.669 38.105 12.305 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.757 36.180 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.189 40.082 12.506 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.276 38.158 10.009 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.991 40.108 11.360 1.00 0.00 H new ATOM 332 N ILE A 22 10.745 34.028 11.291 1.00 0.00 N ATOM 333 CA ILE A 22 11.398 32.725 11.308 1.00 0.00 C ATOM 334 C ILE A 22 12.026 32.489 12.679 1.00 0.00 C ATOM 335 O ILE A 22 11.798 31.455 13.306 1.00 0.00 O ATOM 336 CB ILE A 22 12.472 32.669 10.214 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.796 32.745 8.843 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.262 31.359 10.310 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.848 33.022 7.765 1.00 0.00 C ATOM 0 H ILE A 22 11.081 34.665 10.568 1.00 0.00 H new ATOM 0 HA ILE A 22 10.662 31.945 11.115 1.00 0.00 H new ATOM 0 HB ILE A 22 13.156 33.508 10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.279 31.809 8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.043 33.533 8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.020 31.333 9.528 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.745 31.296 11.285 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.584 30.515 10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.364 33.076 6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.345 33.969 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.585 32.219 7.761 1.00 0.00 H new ATOM 351 N SER A 23 12.823 33.449 13.138 1.00 0.00 N ATOM 352 CA SER A 23 13.474 33.320 14.434 1.00 0.00 C ATOM 353 C SER A 23 12.437 33.028 15.514 1.00 0.00 C ATOM 354 O SER A 23 12.703 32.286 16.456 1.00 0.00 O ATOM 355 CB SER A 23 14.236 34.603 14.772 1.00 0.00 C ATOM 356 OG SER A 23 15.217 34.844 13.770 1.00 0.00 O ATOM 0 H SER A 23 13.031 34.314 12.638 1.00 0.00 H new ATOM 0 HA SER A 23 14.182 32.492 14.390 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.546 35.445 14.832 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.712 34.511 15.748 1.00 0.00 H new ATOM 0 HG SER A 23 14.781 35.181 12.960 1.00 0.00 H new ATOM 362 N GLY A 24 11.249 33.604 15.365 1.00 0.00 N ATOM 363 CA GLY A 24 10.178 33.384 16.333 1.00 0.00 C ATOM 364 C GLY A 24 9.665 31.945 16.283 1.00 0.00 C ATOM 365 O GLY A 24 9.324 31.370 17.314 1.00 0.00 O ATOM 0 H GLY A 24 11.003 34.221 14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.541 33.607 17.336 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.357 34.071 16.131 1.00 0.00 H new ATOM 369 N ILE A 25 9.627 31.359 15.086 1.00 0.00 N ATOM 370 CA ILE A 25 9.167 29.979 14.946 1.00 0.00 C ATOM 371 C ILE A 25 10.235 29.027 15.484 1.00 0.00 C ATOM 372 O ILE A 25 9.927 27.968 16.028 1.00 0.00 O ATOM 373 CB ILE A 25 8.890 29.654 13.469 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.893 30.658 12.879 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.304 28.247 13.344 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.698 30.830 13.821 1.00 0.00 C ATOM 0 H ILE A 25 9.904 31.810 14.214 1.00 0.00 H new ATOM 0 HA ILE A 25 8.245 29.857 15.514 1.00 0.00 H new ATOM 0 HB ILE A 25 9.832 29.713 12.924 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.383 31.619 12.722 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.550 30.312 11.904 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.111 28.025 12.294 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.012 27.521 13.744 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.371 28.190 13.904 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.996 31.545 13.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.200 29.870 13.956 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.046 31.197 14.786 1.00 0.00 H new ATOM 388 N LEU A 26 11.495 29.429 15.326 1.00 0.00 N ATOM 389 CA LEU A 26 12.622 28.626 15.794 1.00 0.00 C ATOM 390 C LEU A 26 12.914 28.909 17.266 1.00 0.00 C ATOM 391 O LEU A 26 13.400 28.045 17.994 1.00 0.00 O ATOM 392 CB LEU A 26 13.860 28.939 14.949 1.00 0.00 C ATOM 393 CG LEU A 26 14.778 29.915 15.700 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.570 29.164 16.775 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.750 30.564 14.713 1.00 0.00 C ATOM 0 H LEU A 26 11.760 30.306 14.878 1.00 0.00 H new ATOM 0 HA LEU A 26 12.366 27.572 15.691 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.400 28.019 14.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.559 29.372 13.995 1.00 0.00 H new ATOM 0 HG LEU A 26 14.169 30.685 16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.219 29.862 17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.879 28.705 17.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.177 28.390 16.306 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.401 31.257 15.246 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.354 29.792 14.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.188 31.107 13.953 1.00 0.00 H new ATOM 407 N GLU A 27 12.585 30.121 17.695 1.00 0.00 N ATOM 408 CA GLU A 27 12.784 30.511 19.083 1.00 0.00 C ATOM 409 C GLU A 27 11.717 29.856 19.938 1.00 0.00 C ATOM 410 O GLU A 27 11.953 29.491 21.090 1.00 0.00 O ATOM 411 CB GLU A 27 12.706 32.032 19.220 1.00 0.00 C ATOM 412 CG GLU A 27 12.797 32.420 20.696 1.00 0.00 C ATOM 413 CD GLU A 27 14.157 32.023 21.265 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.079 31.857 20.485 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.255 31.896 22.475 1.00 0.00 O1- ATOM 0 H GLU A 27 12.181 30.847 17.104 1.00 0.00 H new ATOM 0 HA GLU A 27 13.770 30.185 19.415 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.516 32.500 18.660 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.772 32.398 18.794 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.648 33.494 20.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.003 31.929 21.258 1.00 0.00 H new ATOM 422 N ASN A 28 10.545 29.707 19.341 1.00 0.00 N ATOM 423 CA ASN A 28 9.419 29.087 20.010 1.00 0.00 C ATOM 424 C ASN A 28 9.315 27.622 19.617 1.00 0.00 C ATOM 425 O ASN A 28 9.919 27.182 18.639 1.00 0.00 O ATOM 426 CB ASN A 28 8.131 29.809 19.625 1.00 0.00 C ATOM 427 CG ASN A 28 8.123 31.214 20.214 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.896 31.512 21.126 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.291 32.100 19.743 1.00 0.00 N ATOM 0 H ASN A 28 10.351 30.011 18.387 1.00 0.00 H new ATOM 0 HA ASN A 28 9.569 29.156 21.087 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.044 29.861 18.540 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.269 29.249 19.987 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.278 33.044 20.129 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.653 31.849 18.988 1.00 0.00 H new ATOM 436 N GLU A 29 8.537 26.875 20.382 1.00 0.00 N ATOM 437 CA GLU A 29 8.341 25.460 20.114 1.00 0.00 C ATOM 438 C GLU A 29 7.709 25.264 18.737 1.00 0.00 C ATOM 439 O GLU A 29 7.768 24.177 18.164 1.00 0.00 O ATOM 440 CB GLU A 29 7.420 24.872 21.177 1.00 0.00 C ATOM 441 CG GLU A 29 7.415 23.347 21.061 1.00 0.00 C ATOM 442 CD GLU A 29 6.368 22.757 21.997 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.394 23.439 22.270 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.555 21.631 22.428 1.00 0.00 O1- ATOM 0 H GLU A 29 8.030 27.225 21.195 1.00 0.00 H new ATOM 0 HA GLU A 29 9.308 24.957 20.136 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.756 25.171 22.170 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.409 25.260 21.052 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.203 23.053 20.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.400 22.952 21.309 1.00 0.00 H new ATOM 451 N GLN A 30 7.087 26.326 18.232 1.00 0.00 N ATOM 452 CA GLN A 30 6.416 26.282 16.934 1.00 0.00 C ATOM 453 C GLN A 30 7.310 25.653 15.870 1.00 0.00 C ATOM 454 O GLN A 30 6.837 25.242 14.810 1.00 0.00 O ATOM 455 CB GLN A 30 6.024 27.698 16.508 1.00 0.00 C ATOM 456 CG GLN A 30 4.972 28.239 17.477 1.00 0.00 C ATOM 457 CD GLN A 30 4.612 29.676 17.116 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.523 29.936 16.607 1.00 0.00 O ATOM 459 NE2 GLN A 30 5.472 30.631 17.349 1.00 0.00 N ATOM 0 H GLN A 30 7.033 27.230 18.702 1.00 0.00 H new ATOM 0 HA GLN A 30 5.522 25.666 17.034 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.901 28.346 16.505 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.630 27.689 15.492 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.080 27.614 17.443 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.352 28.197 18.498 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.374 30.413 17.771 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.241 31.595 17.109 1.00 0.00 H new ATOM 468 N LYS A 31 8.602 25.572 16.154 1.00 0.00 N ATOM 469 CA LYS A 31 9.538 24.980 15.206 1.00 0.00 C ATOM 470 C LYS A 31 9.130 23.538 14.907 1.00 0.00 C ATOM 471 O LYS A 31 9.304 23.050 13.791 1.00 0.00 O ATOM 472 CB LYS A 31 10.947 25.009 15.792 1.00 0.00 C ATOM 473 CG LYS A 31 11.106 23.871 16.799 1.00 0.00 C ATOM 474 CD LYS A 31 12.402 24.069 17.587 1.00 0.00 C ATOM 475 CE LYS A 31 12.780 22.759 18.272 1.00 0.00 C ATOM 476 NZ LYS A 31 11.543 22.063 18.719 1.00 0.00 N1+ ATOM 0 H LYS A 31 9.023 25.904 17.022 1.00 0.00 H new ATOM 0 HA LYS A 31 9.522 25.553 14.279 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.685 24.910 14.996 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.130 25.967 16.279 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.254 23.850 17.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.125 22.912 16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.202 24.388 16.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.273 24.857 18.329 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.340 22.124 17.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.429 22.956 19.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.784 21.361 19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.877 22.758 19.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.102 21.584 17.908 1.00 0.00 H new ATOM 490 N ASP A 32 8.572 22.868 15.916 1.00 0.00 N ATOM 491 CA ASP A 32 8.122 21.488 15.755 1.00 0.00 C ATOM 492 C ASP A 32 6.979 21.424 14.751 1.00 0.00 C ATOM 493 O ASP A 32 6.918 20.525 13.914 1.00 0.00 O ATOM 494 CB ASP A 32 7.647 20.929 17.099 1.00 0.00 C ATOM 495 CG ASP A 32 8.825 20.785 18.054 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.945 20.726 17.577 1.00 0.00 O ATOM 497 OD2 ASP A 32 8.588 20.735 19.250 1.00 0.00 O1- ATOM 0 H ASP A 32 8.422 23.257 16.847 1.00 0.00 H new ATOM 0 HA ASP A 32 8.958 20.891 15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.897 21.591 17.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.169 19.961 16.950 1.00 0.00 H new ATOM 502 N LEU A 33 6.078 22.397 14.843 1.00 0.00 N ATOM 503 CA LEU A 33 4.937 22.465 13.941 1.00 0.00 C ATOM 504 C LEU A 33 5.430 22.594 12.507 1.00 0.00 C ATOM 505 O LEU A 33 4.841 22.043 11.576 1.00 0.00 O ATOM 506 CB LEU A 33 4.079 23.683 14.290 1.00 0.00 C ATOM 507 CG LEU A 33 3.736 23.661 15.780 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.871 24.875 16.120 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.965 22.381 16.110 1.00 0.00 C ATOM 0 H LEU A 33 6.117 23.148 15.533 1.00 0.00 H new ATOM 0 HA LEU A 33 4.342 21.558 14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.614 24.600 14.044 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.165 23.678 13.696 1.00 0.00 H new ATOM 0 HG LEU A 33 4.656 23.692 16.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.625 24.861 17.182 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.418 25.788 15.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.952 24.842 15.535 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.721 22.367 17.172 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.045 22.350 15.526 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.579 21.514 15.867 1.00 0.00 H new ATOM 521 N VAL A 34 6.520 23.334 12.353 1.00 0.00 N ATOM 522 CA VAL A 34 7.117 23.558 11.045 1.00 0.00 C ATOM 523 C VAL A 34 7.589 22.244 10.426 1.00 0.00 C ATOM 524 O VAL A 34 7.286 21.951 9.270 1.00 0.00 O ATOM 525 CB VAL A 34 8.294 24.536 11.199 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.516 24.037 10.423 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.883 25.911 10.666 1.00 0.00 C ATOM 0 H VAL A 34 7.010 23.791 13.122 1.00 0.00 H new ATOM 0 HA VAL A 34 6.369 23.984 10.376 1.00 0.00 H new ATOM 0 HB VAL A 34 8.555 24.606 12.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.338 24.743 10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.816 23.061 10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.265 23.951 9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.715 26.607 10.774 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.614 25.827 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.027 26.279 11.231 1.00 0.00 H new ATOM 537 N ALA A 35 8.333 21.460 11.195 1.00 0.00 N ATOM 538 CA ALA A 35 8.840 20.185 10.695 1.00 0.00 C ATOM 539 C ALA A 35 7.695 19.237 10.354 1.00 0.00 C ATOM 540 O ALA A 35 7.757 18.515 9.361 1.00 0.00 O ATOM 541 CB ALA A 35 9.755 19.535 11.734 1.00 0.00 C ATOM 0 H ALA A 35 8.597 21.679 12.156 1.00 0.00 H new ATOM 0 HA ALA A 35 9.409 20.383 9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.126 18.585 11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.596 20.196 11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.195 19.360 12.653 1.00 0.00 H new ATOM 689 N ASN A 45 11.931 26.452 8.246 1.00 0.00 N ATOM 690 CA ASN A 45 10.824 27.339 8.590 1.00 0.00 C ATOM 691 C ASN A 45 9.853 27.498 7.434 1.00 0.00 C ATOM 692 O ASN A 45 9.027 28.410 7.432 1.00 0.00 O ATOM 693 CB ASN A 45 11.350 28.704 9.017 1.00 0.00 C ATOM 694 CG ASN A 45 11.588 28.697 10.522 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.226 29.648 11.217 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.164 27.662 11.069 1.00 0.00 N ATOM 0 HA ASN A 45 10.286 26.884 9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.277 28.931 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.634 29.482 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.317 27.637 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.461 26.878 10.488 1.00 0.00 H new ATOM 703 N GLN A 46 9.938 26.601 6.462 1.00 0.00 N ATOM 704 CA GLN A 46 9.031 26.659 5.324 1.00 0.00 C ATOM 705 C GLN A 46 9.197 27.980 4.581 1.00 0.00 C ATOM 706 O GLN A 46 8.216 28.637 4.244 1.00 0.00 O ATOM 707 CB GLN A 46 7.597 26.549 5.831 1.00 0.00 C ATOM 708 CG GLN A 46 7.451 25.286 6.672 1.00 0.00 C ATOM 709 CD GLN A 46 6.078 25.259 7.319 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.238 26.230 7.095 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.764 24.334 8.056 1.00 0.00 N flip ATOM 0 H GLN A 46 10.613 25.837 6.437 1.00 0.00 H new ATOM 0 HA GLN A 46 9.258 25.839 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.342 27.426 6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.904 26.521 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.587 24.403 6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.226 25.256 7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.422 23.575 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.844 24.322 8.496 1.00 0.00 H new ATOM 720 N LEU A 47 10.437 28.381 4.352 1.00 0.00 N ATOM 721 CA LEU A 47 10.700 29.648 3.680 1.00 0.00 C ATOM 722 C LEU A 47 9.775 29.862 2.484 1.00 0.00 C ATOM 723 O LEU A 47 9.123 30.897 2.379 1.00 0.00 O ATOM 724 CB LEU A 47 12.149 29.694 3.190 1.00 0.00 C ATOM 725 CG LEU A 47 13.091 29.904 4.373 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.284 28.951 4.261 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.597 31.349 4.360 1.00 0.00 C ATOM 0 H LEU A 47 11.270 27.856 4.617 1.00 0.00 H new ATOM 0 HA LEU A 47 10.518 30.439 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.398 28.766 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.272 30.501 2.468 1.00 0.00 H new ATOM 0 HG LEU A 47 12.557 29.705 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.953 29.105 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.928 27.921 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.821 29.148 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.271 31.506 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.130 31.539 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.751 32.032 4.440 1.00 0.00 H new ATOM 739 N ASP A 48 9.745 28.896 1.578 1.00 0.00 N ATOM 740 CA ASP A 48 8.923 29.013 0.374 1.00 0.00 C ATOM 741 C ASP A 48 7.436 29.179 0.696 1.00 0.00 C ATOM 742 O ASP A 48 6.803 30.138 0.247 1.00 0.00 O ATOM 743 CB ASP A 48 9.112 27.772 -0.494 1.00 0.00 C ATOM 744 CG ASP A 48 8.376 27.948 -1.817 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.946 28.555 -2.707 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 7.257 27.473 -1.921 1.00 0.00 O ATOM 0 H ASP A 48 10.275 28.027 1.649 1.00 0.00 H new ATOM 0 HA ASP A 48 9.249 29.908 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.173 27.604 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.736 26.892 0.027 1.00 0.00 H new ATOM 751 N LEU A 49 6.880 28.255 1.473 1.00 0.00 N ATOM 752 CA LEU A 49 5.467 28.344 1.823 1.00 0.00 C ATOM 753 C LEU A 49 5.236 29.544 2.743 1.00 0.00 C ATOM 754 O LEU A 49 4.248 30.267 2.601 1.00 0.00 O ATOM 755 CB LEU A 49 4.994 27.049 2.489 1.00 0.00 C ATOM 756 CG LEU A 49 5.190 25.872 1.526 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.532 25.196 1.809 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.060 24.858 1.724 1.00 0.00 C ATOM 0 H LEU A 49 7.373 27.453 1.865 1.00 0.00 H new ATOM 0 HA LEU A 49 4.885 28.484 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.553 26.876 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.943 27.134 2.766 1.00 0.00 H new ATOM 0 HG LEU A 49 5.177 26.239 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.670 24.360 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.339 25.916 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.546 24.830 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.198 24.021 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.074 24.493 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.102 25.337 1.522 1.00 0.00 H new ATOM 770 N LEU A 50 6.157 29.750 3.684 1.00 0.00 N ATOM 771 CA LEU A 50 6.048 30.866 4.623 1.00 0.00 C ATOM 772 C LEU A 50 6.027 32.186 3.855 1.00 0.00 C ATOM 773 O LEU A 50 5.224 33.070 4.146 1.00 0.00 O ATOM 774 CB LEU A 50 7.250 30.865 5.579 1.00 0.00 C ATOM 775 CG LEU A 50 6.945 31.719 6.819 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.099 31.602 7.815 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.777 33.184 6.423 1.00 0.00 C ATOM 0 H LEU A 50 6.981 29.164 3.816 1.00 0.00 H new ATOM 0 HA LEU A 50 5.126 30.756 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.483 29.844 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.130 31.255 5.068 1.00 0.00 H new ATOM 0 HG LEU A 50 6.021 31.361 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.883 32.208 8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.219 30.560 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.019 31.954 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.561 33.778 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.696 33.543 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.954 33.277 5.715 1.00 0.00 H new ATOM 789 N HIS A 51 6.918 32.315 2.877 1.00 0.00 N ATOM 790 CA HIS A 51 7.004 33.532 2.081 1.00 0.00 C ATOM 791 C HIS A 51 5.679 33.844 1.383 1.00 0.00 C ATOM 792 O HIS A 51 5.181 34.966 1.475 1.00 0.00 O ATOM 793 CB HIS A 51 8.133 33.389 1.054 1.00 0.00 C ATOM 794 CG HIS A 51 9.461 33.501 1.760 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.823 33.307 3.071 1.00 0.00 N flip ATOM 796 CD2 HIS A 51 10.626 33.869 1.099 1.00 0.00 C flip ATOM 797 CE1 HIS A 51 11.183 33.550 3.225 1.00 0.00 C flip ATOM 798 NE2 HIS A 51 11.619 33.885 2.008 1.00 0.00 N flip ATOM 0 H HIS A 51 7.589 31.592 2.618 1.00 0.00 H new ATOM 0 HA HIS A 51 7.221 34.366 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.058 32.428 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.047 34.162 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.718 34.100 0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.763 33.482 4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.587 34.124 1.793 1.00 0.00 H new ATOM 807 N LYS A 52 5.108 32.864 0.684 1.00 0.00 N ATOM 808 CA LYS A 52 3.841 33.096 -0.007 1.00 0.00 C ATOM 809 C LYS A 52 2.759 33.459 1.000 1.00 0.00 C ATOM 810 O LYS A 52 2.000 34.406 0.797 1.00 0.00 O ATOM 811 CB LYS A 52 3.412 31.848 -0.790 1.00 0.00 C ATOM 812 CG LYS A 52 4.479 31.482 -1.824 1.00 0.00 C ATOM 813 CD LYS A 52 4.383 32.427 -3.027 1.00 0.00 C ATOM 814 CE LYS A 52 5.526 32.132 -3.995 1.00 0.00 C ATOM 815 NZ LYS A 52 6.078 33.418 -4.505 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.491 31.924 0.582 1.00 0.00 H new ATOM 0 HA LYS A 52 3.980 33.919 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.258 31.015 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.460 32.031 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.470 31.549 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.345 30.450 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.424 32.298 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.432 33.464 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.307 31.561 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.168 31.521 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.858 33.224 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.330 33.946 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.433 33.984 -3.708 1.00 0.00 H new ATOM 829 N TRP A 53 2.705 32.708 2.092 1.00 0.00 N ATOM 830 CA TRP A 53 1.725 32.958 3.141 1.00 0.00 C ATOM 831 C TRP A 53 1.865 34.392 3.646 1.00 0.00 C ATOM 832 O TRP A 53 0.905 35.169 3.662 1.00 0.00 O ATOM 833 CB TRP A 53 1.985 31.979 4.288 1.00 0.00 C ATOM 834 CG TRP A 53 0.837 31.952 5.242 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.182 31.064 5.203 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.585 32.815 6.389 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.040 31.322 6.256 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.610 32.394 7.014 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.274 33.910 6.942 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.105 33.033 8.149 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.777 34.558 8.086 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.411 34.118 8.688 1.00 0.00 C ATOM 0 H TRP A 53 3.328 31.921 2.275 1.00 0.00 H new ATOM 0 HA TRP A 53 0.716 32.820 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.152 30.979 3.886 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.894 32.266 4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.305 30.281 4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.886 30.787 6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.190 34.255 6.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.020 32.691 8.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.312 35.398 8.503 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.789 34.618 9.568 1.00 0.00 H new ATOM 853 N LEU A 54 3.075 34.727 4.069 1.00 0.00 N ATOM 854 CA LEU A 54 3.340 36.057 4.585 1.00 0.00 C ATOM 855 C LEU A 54 2.988 37.117 3.541 1.00 0.00 C ATOM 856 O LEU A 54 2.287 38.081 3.842 1.00 0.00 O ATOM 857 CB LEU A 54 4.814 36.189 4.967 1.00 0.00 C ATOM 858 CG LEU A 54 5.013 37.475 5.772 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.568 37.261 7.220 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.489 37.867 5.754 1.00 0.00 C ATOM 0 H LEU A 54 3.880 34.101 4.065 1.00 0.00 H new ATOM 0 HA LEU A 54 2.721 36.211 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.128 35.326 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.434 36.207 4.071 1.00 0.00 H new ATOM 0 HG LEU A 54 4.415 38.268 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.713 38.182 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.513 36.986 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.160 36.463 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.629 38.783 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.083 37.067 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.809 38.031 4.725 1.00 0.00 H new ATOM 872 N ASP A 55 3.477 36.937 2.312 1.00 0.00 N ATOM 873 CA ASP A 55 3.199 37.897 1.249 1.00 0.00 C ATOM 874 C ASP A 55 1.699 38.080 1.058 1.00 0.00 C ATOM 875 O ASP A 55 1.224 39.200 0.864 1.00 0.00 O ATOM 876 CB ASP A 55 3.821 37.427 -0.068 1.00 0.00 C ATOM 877 CG ASP A 55 5.344 37.461 0.028 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.844 37.987 1.009 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.987 36.968 -0.884 1.00 0.00 O1- ATOM 0 H ASP A 55 4.059 36.147 2.034 1.00 0.00 H new ATOM 0 HA ASP A 55 3.637 38.852 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.486 36.415 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.486 38.066 -0.885 1.00 0.00 H new ATOM 884 N ARG A 56 0.961 36.975 1.098 1.00 0.00 N ATOM 885 CA ARG A 56 -0.485 37.023 0.914 1.00 0.00 C ATOM 886 C ARG A 56 -1.171 37.842 1.997 1.00 0.00 C ATOM 887 O ARG A 56 -2.224 38.434 1.761 1.00 0.00 O ATOM 888 CB ARG A 56 -1.080 35.616 0.911 1.00 0.00 C ATOM 889 CG ARG A 56 -2.592 35.730 0.695 1.00 0.00 C ATOM 890 CD ARG A 56 -3.186 34.352 0.395 1.00 0.00 C ATOM 891 NE ARG A 56 -3.170 33.526 1.594 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.156 32.711 1.850 1.00 0.00 C ATOM 893 NH1 ARG A 56 -1.156 32.630 1.011 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.161 31.987 2.934 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.338 36.040 1.255 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.659 37.502 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.629 35.015 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.869 35.113 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.063 36.152 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.799 36.411 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.208 34.460 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.616 33.867 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.952 33.575 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.157 33.193 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.375 32.003 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.944 32.048 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.381 31.360 3.132 1.00 0.00 H new ATOM 908 N HIS A 57 -0.596 37.851 3.190 1.00 0.00 N ATOM 909 CA HIS A 57 -1.202 38.582 4.295 1.00 0.00 C ATOM 910 C HIS A 57 -0.328 39.748 4.758 1.00 0.00 C ATOM 911 O HIS A 57 -0.496 40.248 5.865 1.00 0.00 O ATOM 912 CB HIS A 57 -1.454 37.621 5.456 1.00 0.00 C ATOM 913 CG HIS A 57 -2.182 36.410 4.934 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.294 36.519 4.113 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.963 35.064 5.093 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.699 35.272 3.811 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.923 34.347 4.381 1.00 0.00 N ATOM 0 H HIS A 57 0.274 37.370 3.417 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.145 39.004 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.510 37.326 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.044 38.111 6.231 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.726 37.387 3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.168 34.628 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.549 35.047 3.184 1.00 0.00 H new ATOM 926 N ARG A 58 0.598 40.182 3.909 1.00 0.00 N ATOM 927 CA ARG A 58 1.482 41.293 4.254 1.00 0.00 C ATOM 928 C ARG A 58 0.688 42.525 4.697 1.00 0.00 C ATOM 929 O ARG A 58 1.134 43.285 5.556 1.00 0.00 O ATOM 930 CB ARG A 58 2.349 41.652 3.051 1.00 0.00 C ATOM 931 CG ARG A 58 1.458 42.187 1.935 1.00 0.00 C ATOM 932 CD ARG A 58 2.276 42.308 0.653 1.00 0.00 C ATOM 933 NE ARG A 58 3.418 43.189 0.871 1.00 0.00 N ATOM 934 CZ ARG A 58 4.434 43.224 0.016 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.431 42.450 -1.033 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.435 44.032 0.231 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.756 39.785 2.983 1.00 0.00 H new ATOM 0 HA ARG A 58 2.111 40.977 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.090 42.400 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.897 40.775 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.611 41.519 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.050 43.159 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.621 41.323 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.652 42.700 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 58 3.437 43.789 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.648 41.817 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.211 42.477 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.436 44.635 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.217 44.061 -0.424 1.00 0.00 H new ATOM 950 N ASP A 59 -0.480 42.721 4.090 1.00 0.00 N ATOM 951 CA ASP A 59 -1.326 43.874 4.409 1.00 0.00 C ATOM 952 C ASP A 59 -1.663 43.929 5.898 1.00 0.00 C ATOM 953 O ASP A 59 -1.834 45.007 6.464 1.00 0.00 O ATOM 954 CB ASP A 59 -2.623 43.808 3.598 1.00 0.00 C ATOM 955 CG ASP A 59 -2.326 44.033 2.121 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.235 44.487 1.821 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.193 43.747 1.311 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.863 42.101 3.377 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.770 44.775 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.100 42.838 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.324 44.562 3.955 1.00 0.00 H new ATOM 962 N MET A 60 -1.770 42.765 6.521 1.00 0.00 N ATOM 963 CA MET A 60 -2.102 42.693 7.941 1.00 0.00 C ATOM 964 C MET A 60 -1.089 43.462 8.789 1.00 0.00 C ATOM 965 O MET A 60 -1.421 43.977 9.862 1.00 0.00 O ATOM 966 CB MET A 60 -2.113 41.237 8.390 1.00 0.00 C ATOM 967 CG MET A 60 -0.672 40.741 8.487 1.00 0.00 C ATOM 968 SD MET A 60 -0.632 38.955 8.208 1.00 0.00 S ATOM 969 CE MET A 60 1.100 38.702 8.659 1.00 0.00 C ATOM 0 H MET A 60 -1.633 41.860 6.071 1.00 0.00 H new ATOM 0 HA MET A 60 -3.086 43.142 8.078 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.610 41.144 9.356 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.675 40.628 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.050 41.249 7.750 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.260 40.976 9.468 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.300 37.634 8.749 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.743 39.128 7.889 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.303 39.191 9.612 1.00 0.00 H new ATOM 979 N CYS A 61 0.148 43.521 8.312 1.00 0.00 N ATOM 980 CA CYS A 61 1.207 44.204 9.045 1.00 0.00 C ATOM 981 C CYS A 61 0.867 45.675 9.247 1.00 0.00 C ATOM 982 O CYS A 61 1.272 46.280 10.238 1.00 0.00 O ATOM 983 CB CYS A 61 2.530 44.075 8.284 1.00 0.00 C ATOM 984 SG CYS A 61 2.566 45.270 6.927 1.00 0.00 S ATOM 0 H CYS A 61 0.442 43.107 7.427 1.00 0.00 H new ATOM 0 HA CYS A 61 1.304 43.737 10.025 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.368 44.250 8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.640 43.063 7.894 1.00 0.00 H new ATOM 0 HG CYS A 61 2.122 44.708 5.842 1.00 0.00 H new ATOM 990 N GLU A 62 0.116 46.245 8.312 1.00 0.00 N ATOM 991 CA GLU A 62 -0.270 47.649 8.416 1.00 0.00 C ATOM 992 C GLU A 62 -1.376 47.839 9.451 1.00 0.00 C ATOM 993 O GLU A 62 -1.655 48.964 9.865 1.00 0.00 O ATOM 994 CB GLU A 62 -0.760 48.172 7.063 1.00 0.00 C ATOM 995 CG GLU A 62 0.358 48.069 6.029 1.00 0.00 C ATOM 996 CD GLU A 62 -0.142 48.556 4.670 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.123 49.280 4.648 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 0.468 48.201 3.674 1.00 0.00 O ATOM 0 H GLU A 62 -0.235 45.765 7.483 1.00 0.00 H new ATOM 0 HA GLU A 62 0.611 48.209 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.626 47.598 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.083 49.208 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.214 48.665 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.699 47.037 5.952 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.009 46.744 9.874 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.079 46.836 10.859 1.00 0.00 C ATOM 1007 C LYS A 63 -2.514 46.846 12.276 1.00 0.00 C ATOM 1008 O LYS A 63 -2.736 47.795 13.024 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.051 45.658 10.700 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.826 45.799 9.388 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.549 44.484 9.071 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.762 44.314 9.990 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.580 43.094 10.825 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.801 45.798 9.554 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.614 47.770 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.501 44.717 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.744 45.630 11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.548 46.612 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.144 46.055 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.869 44.478 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.866 43.645 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.876 45.191 10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.673 44.230 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.402 42.976 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.491 42.261 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.719 43.192 11.400 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.792 45.786 12.649 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.228 45.718 14.000 1.00 0.00 C ATOM 1029 C TRP A 64 0.054 46.553 14.121 1.00 0.00 C ATOM 1030 O TRP A 64 0.290 47.184 15.151 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.939 44.269 14.404 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.421 43.322 13.351 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.900 43.216 12.110 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.493 42.332 13.430 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.579 42.227 11.422 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.569 41.653 12.191 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.396 41.960 14.443 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.504 40.643 11.965 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.338 40.941 14.216 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.389 40.286 12.980 1.00 0.00 C ATOM 0 H TRP A 64 -1.588 44.983 12.054 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.975 46.133 14.677 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.132 44.136 14.558 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.428 44.046 15.352 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.086 43.807 11.718 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.372 41.955 10.461 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.365 42.460 15.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.542 40.141 11.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.026 40.662 15.000 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.115 39.504 12.813 1.00 0.00 H new ATOM 1051 N LYS A 65 0.877 46.554 13.074 1.00 0.00 N ATOM 1052 CA LYS A 65 2.127 47.320 13.089 1.00 0.00 C ATOM 1053 C LYS A 65 3.055 46.856 14.212 1.00 0.00 C ATOM 1054 O LYS A 65 4.250 47.145 14.190 1.00 0.00 O ATOM 1055 CB LYS A 65 1.830 48.815 13.250 1.00 0.00 C ATOM 1056 CG LYS A 65 3.116 49.633 13.074 1.00 0.00 C ATOM 1057 CD LYS A 65 2.784 51.123 13.225 1.00 0.00 C ATOM 1058 CE LYS A 65 3.960 51.978 12.740 1.00 0.00 C ATOM 1059 NZ LYS A 65 4.975 52.097 13.822 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.705 46.039 12.211 1.00 0.00 H new ATOM 0 HA LYS A 65 2.631 47.149 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.088 49.127 12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.402 49.004 14.234 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.856 49.335 13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.553 49.442 12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.889 51.364 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.565 51.351 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.409 51.527 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.607 52.967 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.771 52.678 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.543 52.546 14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.321 51.151 14.079 1.00 0.00 H new ATOM 1073 N SER A 66 2.513 46.130 15.187 1.00 0.00 N ATOM 1074 CA SER A 66 3.338 45.639 16.286 1.00 0.00 C ATOM 1075 C SER A 66 3.854 44.241 15.973 1.00 0.00 C ATOM 1076 O SER A 66 3.095 43.354 15.577 1.00 0.00 O ATOM 1077 CB SER A 66 2.550 45.622 17.594 1.00 0.00 C ATOM 1078 OG SER A 66 1.279 45.033 17.371 1.00 0.00 O ATOM 0 H SER A 66 1.527 45.873 15.239 1.00 0.00 H new ATOM 0 HA SER A 66 4.185 46.315 16.403 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.095 45.060 18.353 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.431 46.637 17.973 1.00 0.00 H new ATOM 0 HG SER A 66 0.728 45.130 18.176 1.00 0.00 H new ATOM 1084 N LYS A 67 5.156 44.062 16.134 1.00 0.00 N ATOM 1085 CA LYS A 67 5.791 42.786 15.842 1.00 0.00 C ATOM 1086 C LYS A 67 5.276 41.650 16.731 1.00 0.00 C ATOM 1087 O LYS A 67 4.937 40.576 16.230 1.00 0.00 O ATOM 1088 CB LYS A 67 7.301 42.930 16.013 1.00 0.00 C ATOM 1089 CG LYS A 67 7.973 41.620 15.626 1.00 0.00 C ATOM 1090 CD LYS A 67 9.490 41.811 15.595 1.00 0.00 C ATOM 1091 CE LYS A 67 10.169 40.493 15.947 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.034 40.254 17.412 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.794 44.785 16.466 1.00 0.00 H new ATOM 0 HA LYS A 67 5.542 42.522 14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.674 43.743 15.390 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.540 43.185 17.046 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.709 40.840 16.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.618 41.292 14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.806 42.144 14.607 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.785 42.586 16.302 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.715 39.675 15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.222 40.525 15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.805 39.636 17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.082 41.161 17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.120 39.798 17.607 1.00 0.00 H new ATOM 1106 N GLU A 68 5.256 41.860 18.045 1.00 0.00 N ATOM 1107 CA GLU A 68 4.820 40.811 18.965 1.00 0.00 C ATOM 1108 C GLU A 68 3.364 40.403 18.744 1.00 0.00 C ATOM 1109 O GLU A 68 3.020 39.220 18.843 1.00 0.00 O ATOM 1110 CB GLU A 68 5.000 41.281 20.411 1.00 0.00 C ATOM 1111 CG GLU A 68 4.652 40.136 21.363 1.00 0.00 C ATOM 1112 CD GLU A 68 4.801 40.592 22.809 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.258 41.704 23.015 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 4.459 39.820 23.690 1.00 0.00 O ATOM 0 H GLU A 68 5.532 42.734 18.493 1.00 0.00 H new ATOM 0 HA GLU A 68 5.440 39.936 18.768 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.028 41.605 20.575 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.359 42.140 20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.631 39.801 21.183 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.305 39.284 21.173 1.00 0.00 H new ATOM 1121 N ASP A 69 2.501 41.369 18.461 1.00 0.00 N ATOM 1122 CA ASP A 69 1.089 41.055 18.257 1.00 0.00 C ATOM 1123 C ASP A 69 0.890 40.170 17.032 1.00 0.00 C ATOM 1124 O ASP A 69 0.135 39.198 17.076 1.00 0.00 O ATOM 1125 CB ASP A 69 0.270 42.338 18.109 1.00 0.00 C ATOM 1126 CG ASP A 69 0.295 43.120 19.420 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.737 42.560 20.409 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -0.128 44.264 19.414 1.00 0.00 O ATOM 0 H ASP A 69 2.743 42.356 18.368 1.00 0.00 H new ATOM 0 HA ASP A 69 0.742 40.509 19.134 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.676 42.949 17.303 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.758 42.095 17.839 1.00 0.00 H new ATOM 1133 N ILE A 70 1.562 40.504 15.939 1.00 0.00 N ATOM 1134 CA ILE A 70 1.420 39.712 14.724 1.00 0.00 C ATOM 1135 C ILE A 70 1.848 38.274 14.969 1.00 0.00 C ATOM 1136 O ILE A 70 1.165 37.341 14.555 1.00 0.00 O ATOM 1137 CB ILE A 70 2.262 40.297 13.595 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.849 41.748 13.355 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.013 39.484 12.319 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.930 42.472 12.549 1.00 0.00 C ATOM 0 H ILE A 70 2.197 41.299 15.867 1.00 0.00 H new ATOM 0 HA ILE A 70 0.369 39.733 14.437 1.00 0.00 H new ATOM 0 HB ILE A 70 3.318 40.258 13.862 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.900 41.781 12.819 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.694 42.253 14.308 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.610 39.893 11.504 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.295 38.445 12.489 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.957 39.535 12.055 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.628 43.506 12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.870 42.453 13.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.063 41.973 11.589 1.00 0.00 H new ATOM 1152 N LEU A 71 2.977 38.092 15.644 1.00 0.00 N ATOM 1153 CA LEU A 71 3.467 36.752 15.921 1.00 0.00 C ATOM 1154 C LEU A 71 2.404 35.937 16.635 1.00 0.00 C ATOM 1155 O LEU A 71 2.212 34.758 16.342 1.00 0.00 O ATOM 1156 CB LEU A 71 4.730 36.835 16.774 1.00 0.00 C ATOM 1157 CG LEU A 71 5.840 37.508 15.963 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.126 37.556 16.790 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.093 36.705 14.683 1.00 0.00 C ATOM 0 H LEU A 71 3.562 38.846 16.004 1.00 0.00 H new ATOM 0 HA LEU A 71 3.703 36.258 14.978 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.533 37.402 17.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.042 35.837 17.082 1.00 0.00 H new ATOM 0 HG LEU A 71 5.535 38.523 15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.914 38.036 16.210 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.950 38.125 17.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.431 36.542 17.047 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.883 37.183 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.396 35.691 14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.179 36.669 14.089 1.00 0.00 H new ATOM 1171 N HIS A 72 1.702 36.571 17.561 1.00 0.00 N ATOM 1172 CA HIS A 72 0.644 35.882 18.292 1.00 0.00 C ATOM 1173 C HIS A 72 -0.432 35.373 17.334 1.00 0.00 C ATOM 1174 O HIS A 72 -0.892 34.237 17.446 1.00 0.00 O ATOM 1175 CB HIS A 72 0.000 36.829 19.303 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.182 36.142 19.924 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.156 34.802 20.273 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -2.437 36.591 20.253 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.361 34.492 20.785 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -3.180 35.548 20.796 1.00 0.00 N ATOM 0 H HIS A 72 1.840 37.547 17.823 1.00 0.00 H new ATOM 0 HA HIS A 72 1.091 35.035 18.812 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.721 37.108 20.071 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.314 37.750 18.811 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.793 37.601 20.112 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.633 33.510 21.143 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.143 35.582 21.131 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.826 36.221 16.392 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.851 35.840 15.421 1.00 0.00 C ATOM 1191 C LYS A 73 -1.354 34.717 14.524 1.00 0.00 C ATOM 1192 O LYS A 73 -2.038 33.711 14.350 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.270 37.044 14.576 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.284 37.877 15.360 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.579 38.586 16.515 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.602 39.373 17.332 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.817 38.538 17.534 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.459 37.166 16.278 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.721 35.483 15.973 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.399 37.650 14.326 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.706 36.709 13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.754 38.609 14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.078 37.236 15.743 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.075 37.857 17.149 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.812 39.258 16.129 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.176 39.655 18.295 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.863 40.297 16.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.368 38.914 18.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.398 38.557 16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.535 37.558 17.740 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.160 34.876 13.962 1.00 0.00 N ATOM 1212 CA LEU A 74 0.382 33.835 13.105 1.00 0.00 C ATOM 1213 C LEU A 74 0.492 32.537 13.881 1.00 0.00 C ATOM 1214 O LEU A 74 0.256 31.463 13.335 1.00 0.00 O ATOM 1215 CB LEU A 74 1.746 34.236 12.544 1.00 0.00 C ATOM 1216 CG LEU A 74 1.544 35.125 11.317 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.514 36.214 11.626 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.874 35.774 10.929 1.00 0.00 C ATOM 0 H LEU A 74 0.436 35.695 14.081 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.296 33.694 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.322 34.767 13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.317 33.348 12.274 1.00 0.00 H new ATOM 0 HG LEU A 74 1.182 34.514 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.375 36.844 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.436 35.751 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.868 36.824 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.728 36.407 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.239 36.380 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.604 34.998 10.698 1.00 0.00 H new ATOM 1230 N ASN A 75 0.829 32.632 15.160 1.00 0.00 N ATOM 1231 CA ASN A 75 0.934 31.435 15.977 1.00 0.00 C ATOM 1232 C ASN A 75 -0.396 30.672 15.933 1.00 0.00 C ATOM 1233 O ASN A 75 -0.429 29.461 15.695 1.00 0.00 O ATOM 1234 CB ASN A 75 1.277 31.819 17.423 1.00 0.00 C ATOM 1235 CG ASN A 75 2.624 32.539 17.476 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.372 32.534 16.496 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.983 33.157 18.569 1.00 0.00 N ATOM 0 H ASN A 75 1.030 33.507 15.645 1.00 0.00 H new ATOM 0 HA ASN A 75 1.727 30.796 15.588 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.497 32.462 17.830 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.310 30.925 18.046 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.883 33.636 18.612 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.364 33.161 19.380 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.490 31.405 16.136 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.827 30.811 16.105 1.00 0.00 C ATOM 1246 C GLU A 76 -3.222 30.403 14.687 1.00 0.00 C ATOM 1247 O GLU A 76 -3.815 29.346 14.475 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.853 31.811 16.638 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.224 31.135 16.737 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.288 32.165 17.106 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.916 33.292 17.388 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.457 31.814 17.099 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.478 32.408 16.323 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.809 29.920 16.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.545 32.177 17.617 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.910 32.676 15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.476 30.664 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.196 30.345 17.487 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.900 31.250 13.716 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.246 30.954 12.328 1.00 0.00 C ATOM 1261 C GLN A 77 -2.407 29.799 11.790 1.00 0.00 C ATOM 1262 O GLN A 77 -2.927 28.896 11.140 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.036 32.193 11.459 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.360 32.944 11.314 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.836 33.429 12.680 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.111 33.311 13.667 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.017 33.970 12.797 1.00 0.00 N ATOM 0 H GLN A 77 -2.409 32.132 13.858 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.296 30.663 12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.285 32.842 11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.661 31.903 10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.235 33.792 10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.111 32.292 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.617 34.067 11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.341 34.296 13.708 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.112 29.830 12.075 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.215 28.773 11.626 1.00 0.00 C ATOM 1278 C TRP A 78 -0.735 27.421 12.099 1.00 0.00 C ATOM 1279 O TRP A 78 -0.734 26.446 11.345 1.00 0.00 O ATOM 1280 CB TRP A 78 1.178 29.025 12.198 1.00 0.00 C ATOM 1281 CG TRP A 78 2.224 28.253 11.457 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.234 26.911 11.256 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.443 28.767 10.850 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.386 26.577 10.559 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.161 27.687 10.290 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.983 30.058 10.734 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.384 27.880 9.639 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.212 30.259 10.080 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.914 29.171 9.536 1.00 0.00 C ATOM 0 H TRP A 78 -0.661 30.571 12.612 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.166 28.770 10.537 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.406 30.090 12.147 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.196 28.745 13.251 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.473 26.219 11.584 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.630 25.627 10.279 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.452 30.902 11.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.915 27.039 9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.618 31.256 9.996 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.860 29.330 9.040 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.196 27.370 13.352 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.735 26.130 13.904 1.00 0.00 C ATOM 1302 C ASN A 79 -3.051 25.778 13.222 1.00 0.00 C ATOM 1303 O ASN A 79 -3.345 24.608 12.976 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.962 26.279 15.409 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.630 26.476 16.122 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.431 26.302 15.519 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.618 26.825 17.378 1.00 0.00 N ATOM 0 H ASN A 79 -1.206 28.163 13.994 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.016 25.330 13.727 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.617 27.128 15.604 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.464 25.394 15.798 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.270 26.954 17.863 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.497 26.969 17.876 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.837 26.806 12.922 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.125 26.621 12.266 1.00 0.00 C ATOM 1316 C LYS A 80 -4.935 26.465 10.759 1.00 0.00 C ATOM 1317 O LYS A 80 -5.878 26.156 10.029 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.018 27.831 12.561 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.377 27.658 11.886 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.296 28.814 12.291 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.731 30.127 11.746 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.833 31.112 11.576 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.603 27.778 13.124 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.598 25.716 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.149 27.942 13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.539 28.742 12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.257 27.636 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.822 26.706 12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.300 28.648 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.379 28.864 13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.979 30.522 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.235 29.953 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.447 32.004 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.536 30.735 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.287 31.287 12.495 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.704 26.671 10.305 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.388 26.547 8.886 1.00 0.00 C ATOM 1338 C ASP A 81 -2.016 25.907 8.701 1.00 0.00 C ATOM 1339 O ASP A 81 -1.042 26.641 8.657 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.401 27.928 8.223 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.082 27.794 6.739 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -4.002 27.558 5.973 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -1.920 27.928 6.389 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -1.959 24.692 8.607 1.00 0.00 O ATOM 0 H ASP A 81 -2.911 26.923 10.895 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.142 25.914 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.378 28.394 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.670 28.579 8.704 1.00 0.00 H new