USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 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 60 MET CE :methyl -176:sc= 0 (180deg=-0.0211) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -1.18! F(o=-1.8,f=-1.2!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 158:sc= -0.282 (180deg=-0.366) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -4.25! C(o=-4.5!,f=-5.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 15 ASN : amide:sc= -0.345 K(o=-0.34,f=-2!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.32) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.71 K(o=-2.7,f=-5.3!) USER MOD Single : A 30 GLN : amide:sc= -0.502 K(o=-0.5,f=-6.2!) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0134 (180deg=-0.234) USER MOD Single : A 45 ASN : amide:sc= -3.12 K(o=-3.1,f=-6.5!) USER MOD Single : A 46 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.4!) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.274) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.297 F(o=-2.4,f=-0.3) USER MOD Single : A 61 CYS SG : rot -88:sc= -0.0733 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.246 (180deg=-1.16) USER MOD Single : A 66 SER OG : rot -50:sc= -1.72! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.76) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.15 K(o=-1.2,f=-1.8) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.285 F(o=-2.8!,f=-0.29) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.631 51.069 1.922 1.00 0.00 N ATOM 93 CA LYS A 8 3.869 49.638 2.074 1.00 0.00 C ATOM 94 C LYS A 8 5.348 49.352 2.339 1.00 0.00 C ATOM 95 O LYS A 8 6.214 50.174 2.036 1.00 0.00 O ATOM 96 CB LYS A 8 3.413 48.908 0.806 1.00 0.00 C ATOM 97 CG LYS A 8 1.949 49.254 0.523 1.00 0.00 C ATOM 98 CD LYS A 8 1.418 48.379 -0.619 1.00 0.00 C ATOM 99 CE LYS A 8 2.206 48.670 -1.898 1.00 0.00 C ATOM 100 NZ LYS A 8 1.505 48.063 -3.064 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.298 49.279 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.037 49.198 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.527 47.831 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.350 49.100 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.860 50.307 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.509 47.325 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.358 48.577 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.305 49.746 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.215 48.265 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.041 48.261 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.433 47.034 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.551 48.469 -3.146 1.00 0.00 H new ATOM 114 N PHE A 9 5.624 48.187 2.922 1.00 0.00 N ATOM 115 CA PHE A 9 6.995 47.805 3.246 1.00 0.00 C ATOM 116 C PHE A 9 7.775 47.404 2.003 1.00 0.00 C ATOM 117 O PHE A 9 7.220 46.861 1.049 1.00 0.00 O ATOM 118 CB PHE A 9 6.990 46.641 4.233 1.00 0.00 C ATOM 119 CG PHE A 9 6.401 47.112 5.534 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.213 47.744 6.480 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.039 46.926 5.790 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.662 48.190 7.687 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.486 47.373 6.995 1.00 0.00 C ATOM 124 CZ PHE A 9 5.298 48.005 7.944 1.00 0.00 C ATOM 0 H PHE A 9 4.920 47.495 3.178 1.00 0.00 H new ATOM 0 HA PHE A 9 7.483 48.672 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.408 45.810 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.004 46.274 4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.264 47.888 6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.414 46.437 5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.289 48.677 8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.434 47.231 7.193 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.872 48.350 8.875 1.00 0.00 H new ATOM 134 N THR A 10 9.074 47.679 2.032 1.00 0.00 N ATOM 135 CA THR A 10 9.940 47.350 0.906 1.00 0.00 C ATOM 136 C THR A 10 10.383 45.900 0.970 1.00 0.00 C ATOM 137 O THR A 10 10.319 45.267 2.023 1.00 0.00 O ATOM 138 CB THR A 10 11.183 48.246 0.917 1.00 0.00 C ATOM 139 OG1 THR A 10 11.963 47.951 2.066 1.00 0.00 O ATOM 140 CG2 THR A 10 10.766 49.717 0.936 1.00 0.00 C ATOM 0 H THR A 10 9.548 48.126 2.817 1.00 0.00 H new ATOM 0 HA THR A 10 9.372 47.512 -0.010 1.00 0.00 H new ATOM 0 HB THR A 10 11.772 48.059 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.760 48.521 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.655 50.347 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.172 49.938 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.173 49.916 1.829 1.00 0.00 H new ATOM 148 N ASP A 11 10.837 45.382 -0.164 1.00 0.00 N ATOM 149 CA ASP A 11 11.300 44.005 -0.222 1.00 0.00 C ATOM 150 C ASP A 11 12.364 43.770 0.839 1.00 0.00 C ATOM 151 O ASP A 11 12.421 42.709 1.458 1.00 0.00 O ATOM 152 CB ASP A 11 11.907 43.715 -1.599 1.00 0.00 C ATOM 153 CG ASP A 11 10.820 43.674 -2.667 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.659 43.633 -2.299 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.169 43.685 -3.837 1.00 0.00 O ATOM 0 H ASP A 11 10.894 45.890 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 11 10.450 43.345 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.640 44.482 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.437 42.763 -1.575 1.00 0.00 H new ATOM 160 N ASP A 12 13.213 44.768 1.033 1.00 0.00 N ATOM 161 CA ASP A 12 14.284 44.664 2.010 1.00 0.00 C ATOM 162 C ASP A 12 13.723 44.596 3.417 1.00 0.00 C ATOM 163 O ASP A 12 14.075 43.713 4.195 1.00 0.00 O ATOM 164 CB ASP A 12 15.202 45.876 1.887 1.00 0.00 C ATOM 165 CG ASP A 12 16.006 45.786 0.595 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.005 44.723 0.000 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.605 46.780 0.218 1.00 0.00 O1- ATOM 0 H ASP A 12 13.181 45.654 0.529 1.00 0.00 H new ATOM 0 HA ASP A 12 14.846 43.750 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.612 46.793 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.876 45.922 2.743 1.00 0.00 H new ATOM 172 N GLU A 13 12.829 45.518 3.729 1.00 0.00 N ATOM 173 CA GLU A 13 12.208 45.538 5.045 1.00 0.00 C ATOM 174 C GLU A 13 11.432 44.252 5.256 1.00 0.00 C ATOM 175 O GLU A 13 11.444 43.659 6.334 1.00 0.00 O ATOM 176 CB GLU A 13 11.252 46.721 5.134 1.00 0.00 C ATOM 177 CG GLU A 13 12.046 48.027 5.235 1.00 0.00 C ATOM 178 CD GLU A 13 12.814 48.079 6.551 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.475 47.323 7.443 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 13.730 48.881 6.648 1.00 0.00 O ATOM 0 H GLU A 13 12.518 46.256 3.098 1.00 0.00 H new ATOM 0 HA GLU A 13 12.979 45.630 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.606 46.745 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.604 46.611 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.740 48.104 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.369 48.878 5.167 1.00 0.00 H new ATOM 187 N TRP A 14 10.764 43.825 4.200 1.00 0.00 N ATOM 188 CA TRP A 14 9.981 42.614 4.242 1.00 0.00 C ATOM 189 C TRP A 14 10.881 41.418 4.502 1.00 0.00 C ATOM 190 O TRP A 14 10.607 40.612 5.387 1.00 0.00 O ATOM 191 CB TRP A 14 9.258 42.457 2.911 1.00 0.00 C ATOM 192 CG TRP A 14 8.014 41.666 3.098 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.702 40.546 2.419 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.907 41.923 4.005 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.467 40.092 2.847 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.939 40.911 3.828 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.650 42.928 4.952 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.757 40.894 4.569 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.460 42.916 5.696 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.517 41.898 5.507 1.00 0.00 C ATOM 0 H TRP A 14 10.751 44.305 3.300 1.00 0.00 H new ATOM 0 HA TRP A 14 9.252 42.670 5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.017 43.438 2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.909 41.962 2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.316 40.078 1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.004 39.258 2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.373 43.715 5.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.032 40.108 4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.270 43.696 6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.606 41.890 6.086 1.00 0.00 H new ATOM 211 N ASN A 15 11.963 41.302 3.739 1.00 0.00 N ATOM 212 CA ASN A 15 12.875 40.189 3.938 1.00 0.00 C ATOM 213 C ASN A 15 13.333 40.161 5.393 1.00 0.00 C ATOM 214 O ASN A 15 13.452 39.096 5.999 1.00 0.00 O ATOM 215 CB ASN A 15 14.094 40.320 3.020 1.00 0.00 C ATOM 216 CG ASN A 15 13.705 40.079 1.564 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.690 39.439 1.285 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.465 40.554 0.611 1.00 0.00 N ATOM 0 H ASN A 15 12.223 41.950 2.995 1.00 0.00 H new ATOM 0 HA ASN A 15 12.354 39.262 3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.529 41.314 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.859 39.604 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.218 40.395 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.305 41.084 0.845 1.00 0.00 H new ATOM 225 N GLN A 16 13.561 41.346 5.949 1.00 0.00 N ATOM 226 CA GLN A 16 13.982 41.459 7.339 1.00 0.00 C ATOM 227 C GLN A 16 12.870 40.941 8.246 1.00 0.00 C ATOM 228 O GLN A 16 13.118 40.197 9.195 1.00 0.00 O ATOM 229 CB GLN A 16 14.301 42.923 7.651 1.00 0.00 C ATOM 230 CG GLN A 16 15.525 43.338 6.840 1.00 0.00 C ATOM 231 CD GLN A 16 15.752 44.842 6.942 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.653 45.574 5.862 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.031 45.360 8.025 1.00 0.00 N flip ATOM 0 H GLN A 16 13.462 42.236 5.461 1.00 0.00 H new ATOM 0 HA GLN A 16 14.878 40.862 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.450 43.557 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.492 43.050 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.405 42.807 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.389 43.055 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.106 44.782 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.187 46.366 8.084 1.00 0.00 H new ATOM 242 N LEU A 17 11.640 41.333 7.931 1.00 0.00 N ATOM 243 CA LEU A 17 10.479 40.896 8.703 1.00 0.00 C ATOM 244 C LEU A 17 10.364 39.372 8.676 1.00 0.00 C ATOM 245 O LEU A 17 9.997 38.744 9.669 1.00 0.00 O ATOM 246 CB LEU A 17 9.203 41.489 8.100 1.00 0.00 C ATOM 247 CG LEU A 17 7.988 41.010 8.901 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.132 41.440 10.358 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.717 41.631 8.326 1.00 0.00 C ATOM 0 H LEU A 17 11.420 41.950 7.149 1.00 0.00 H new ATOM 0 HA LEU A 17 10.604 41.236 9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.254 42.578 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.106 41.187 7.057 1.00 0.00 H new ATOM 0 HG LEU A 17 7.928 39.923 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.266 41.098 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.038 41.003 10.779 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.195 42.527 10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.854 41.289 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.784 42.717 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.604 41.331 7.284 1.00 0.00 H new ATOM 261 N LYS A 18 10.663 38.792 7.515 1.00 0.00 N ATOM 262 CA LYS A 18 10.580 37.343 7.331 1.00 0.00 C ATOM 263 C LYS A 18 11.514 36.596 8.271 1.00 0.00 C ATOM 264 O LYS A 18 11.122 35.623 8.914 1.00 0.00 O ATOM 265 CB LYS A 18 10.968 36.979 5.898 1.00 0.00 C ATOM 266 CG LYS A 18 9.934 37.522 4.917 1.00 0.00 C ATOM 267 CD LYS A 18 10.298 37.064 3.505 1.00 0.00 C ATOM 268 CE LYS A 18 9.487 37.863 2.486 1.00 0.00 C ATOM 269 NZ LYS A 18 8.832 36.933 1.527 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.965 39.304 6.686 1.00 0.00 H new ATOM 0 HA LYS A 18 9.552 37.052 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.951 37.388 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.042 35.896 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.939 37.166 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.906 38.611 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.364 37.206 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.095 35.999 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.734 38.464 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.138 38.554 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.016 37.405 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.512 36.660 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.510 36.083 2.033 1.00 0.00 H new ATOM 283 N GLN A 19 12.754 37.049 8.330 1.00 0.00 N ATOM 284 CA GLN A 19 13.741 36.404 9.177 1.00 0.00 C ATOM 285 C GLN A 19 13.298 36.452 10.630 1.00 0.00 C ATOM 286 O GLN A 19 13.472 35.484 11.370 1.00 0.00 O ATOM 287 CB GLN A 19 15.091 37.093 9.003 1.00 0.00 C ATOM 288 CG GLN A 19 15.535 36.962 7.543 1.00 0.00 C ATOM 289 CD GLN A 19 15.549 35.496 7.118 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.322 34.699 7.647 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.733 35.090 6.186 1.00 0.00 N ATOM 0 H GLN A 19 13.099 37.854 7.807 1.00 0.00 H new ATOM 0 HA GLN A 19 13.838 35.358 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.015 38.144 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.832 36.642 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.860 37.527 6.900 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.529 37.392 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.092 35.750 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.736 34.112 5.896 1.00 0.00 H new ATOM 300 N ASP A 20 12.731 37.578 11.039 1.00 0.00 N ATOM 301 CA ASP A 20 12.277 37.711 12.409 1.00 0.00 C ATOM 302 C ASP A 20 11.197 36.682 12.702 1.00 0.00 C ATOM 303 O ASP A 20 11.221 36.021 13.740 1.00 0.00 O ATOM 304 CB ASP A 20 11.709 39.108 12.642 1.00 0.00 C ATOM 305 CG ASP A 20 12.721 40.157 12.207 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.870 40.042 12.603 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.337 41.054 11.474 1.00 0.00 O1- ATOM 0 H ASP A 20 12.578 38.397 10.451 1.00 0.00 H new ATOM 0 HA ASP A 20 13.127 37.549 13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.781 39.231 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.466 39.240 13.696 1.00 0.00 H new ATOM 312 N PHE A 21 10.251 36.537 11.779 1.00 0.00 N ATOM 313 CA PHE A 21 9.182 35.574 11.966 1.00 0.00 C ATOM 314 C PHE A 21 9.768 34.180 12.038 1.00 0.00 C ATOM 315 O PHE A 21 9.413 33.387 12.906 1.00 0.00 O ATOM 316 CB PHE A 21 8.187 35.636 10.809 1.00 0.00 C ATOM 317 CG PHE A 21 7.327 36.879 10.904 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.709 37.961 11.709 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.142 36.946 10.167 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.900 39.103 11.771 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.335 38.084 10.232 1.00 0.00 C ATOM 322 CZ PHE A 21 5.714 39.163 11.032 1.00 0.00 C ATOM 0 H PHE A 21 10.206 37.067 10.909 1.00 0.00 H new ATOM 0 HA PHE A 21 8.660 35.813 12.893 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.725 35.632 9.861 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.554 34.749 10.820 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.625 37.914 12.280 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.849 36.114 9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.192 39.938 12.390 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.418 38.129 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.092 40.044 11.080 1.00 0.00 H new ATOM 332 N ILE A 22 10.682 33.895 11.122 1.00 0.00 N ATOM 333 CA ILE A 22 11.323 32.595 11.096 1.00 0.00 C ATOM 334 C ILE A 22 12.032 32.330 12.421 1.00 0.00 C ATOM 335 O ILE A 22 11.845 31.276 13.031 1.00 0.00 O ATOM 336 CB ILE A 22 12.303 32.515 9.922 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.511 32.598 8.615 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.065 31.192 9.975 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.472 32.696 7.431 1.00 0.00 C ATOM 0 H ILE A 22 10.992 34.541 10.396 1.00 0.00 H new ATOM 0 HA ILE A 22 10.563 31.826 10.959 1.00 0.00 H new ATOM 0 HB ILE A 22 13.016 33.337 9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.876 31.718 8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.852 33.466 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.761 31.139 9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.619 31.128 10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.360 30.363 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.902 32.755 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.088 33.589 7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.112 31.814 7.408 1.00 0.00 H new ATOM 351 N SER A 23 12.841 33.284 12.870 1.00 0.00 N ATOM 352 CA SER A 23 13.550 33.107 14.131 1.00 0.00 C ATOM 353 C SER A 23 12.555 32.844 15.249 1.00 0.00 C ATOM 354 O SER A 23 12.804 32.035 16.141 1.00 0.00 O ATOM 355 CB SER A 23 14.386 34.340 14.478 1.00 0.00 C ATOM 356 OG SER A 23 15.199 34.049 15.607 1.00 0.00 O ATOM 0 H SER A 23 13.019 34.168 12.393 1.00 0.00 H new ATOM 0 HA SER A 23 14.221 32.255 14.021 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.009 34.623 13.629 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.735 35.188 14.692 1.00 0.00 H new ATOM 0 HG SER A 23 15.738 34.835 15.833 1.00 0.00 H new ATOM 362 N GLY A 24 11.420 33.531 15.195 1.00 0.00 N ATOM 363 CA GLY A 24 10.393 33.351 16.210 1.00 0.00 C ATOM 364 C GLY A 24 9.818 31.941 16.139 1.00 0.00 C ATOM 365 O GLY A 24 9.433 31.359 17.153 1.00 0.00 O ATOM 0 H GLY A 24 11.190 34.209 14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.815 33.529 17.199 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.598 34.083 16.066 1.00 0.00 H new ATOM 369 N ILE A 25 9.770 31.395 14.924 1.00 0.00 N ATOM 370 CA ILE A 25 9.239 30.052 14.718 1.00 0.00 C ATOM 371 C ILE A 25 10.153 29.010 15.356 1.00 0.00 C ATOM 372 O ILE A 25 9.681 27.993 15.854 1.00 0.00 O ATOM 373 CB ILE A 25 9.110 29.759 13.214 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.957 30.562 12.598 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.838 28.272 12.998 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.629 29.854 12.882 1.00 0.00 C ATOM 0 H ILE A 25 10.090 31.860 14.074 1.00 0.00 H new ATOM 0 HA ILE A 25 8.256 29.999 15.186 1.00 0.00 H new ATOM 0 HB ILE A 25 10.045 30.046 12.733 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.940 31.570 13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.104 30.663 11.523 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.747 28.070 11.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.661 27.688 13.409 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.911 27.995 13.500 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.811 30.426 12.444 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.648 28.855 12.446 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.481 29.776 13.959 1.00 0.00 H new ATOM 388 N LEU A 26 11.460 29.269 15.350 1.00 0.00 N ATOM 389 CA LEU A 26 12.412 28.332 15.951 1.00 0.00 C ATOM 390 C LEU A 26 12.590 28.642 17.435 1.00 0.00 C ATOM 391 O LEU A 26 13.001 27.784 18.219 1.00 0.00 O ATOM 392 CB LEU A 26 13.765 28.385 15.219 1.00 0.00 C ATOM 393 CG LEU A 26 14.757 29.295 15.955 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.407 28.533 17.114 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.854 29.734 14.979 1.00 0.00 C ATOM 0 H LEU A 26 11.880 30.105 14.943 1.00 0.00 H new ATOM 0 HA LEU A 26 12.014 27.322 15.852 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.179 27.380 15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.618 28.750 14.202 1.00 0.00 H new ATOM 0 HG LEU A 26 14.224 30.163 16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.110 29.187 17.631 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.636 28.205 17.812 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.938 27.664 16.726 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.563 30.381 15.495 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.375 28.856 14.599 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.405 30.278 14.148 1.00 0.00 H new ATOM 407 N GLU A 27 12.256 29.868 17.820 1.00 0.00 N ATOM 408 CA GLU A 27 12.368 30.275 19.217 1.00 0.00 C ATOM 409 C GLU A 27 11.279 29.609 20.064 1.00 0.00 C ATOM 410 O GLU A 27 11.504 29.286 21.230 1.00 0.00 O ATOM 411 CB GLU A 27 12.251 31.797 19.336 1.00 0.00 C ATOM 412 CG GLU A 27 12.652 32.233 20.749 1.00 0.00 C ATOM 413 CD GLU A 27 11.473 32.077 21.705 1.00 0.00 C ATOM 414 OE1 GLU A 27 10.347 32.135 21.241 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 11.714 31.907 22.890 1.00 0.00 O ATOM 0 H GLU A 27 11.908 30.592 17.192 1.00 0.00 H new ATOM 0 HA GLU A 27 13.344 29.958 19.586 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.893 32.280 18.599 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.229 32.111 19.123 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.493 31.634 21.097 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.984 33.271 20.736 1.00 0.00 H new ATOM 422 N ASN A 28 10.097 29.411 19.475 1.00 0.00 N ATOM 423 CA ASN A 28 8.987 28.789 20.200 1.00 0.00 C ATOM 424 C ASN A 28 8.906 27.286 19.925 1.00 0.00 C ATOM 425 O ASN A 28 9.214 26.818 18.830 1.00 0.00 O ATOM 426 CB ASN A 28 7.659 29.464 19.829 1.00 0.00 C ATOM 427 CG ASN A 28 7.356 29.307 18.339 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.068 28.602 17.626 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.329 29.932 17.827 1.00 0.00 N ATOM 0 H ASN A 28 9.885 29.668 18.511 1.00 0.00 H new ATOM 0 HA ASN A 28 9.173 28.926 21.265 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.850 29.028 20.415 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.702 30.523 20.084 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.116 29.836 16.834 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.740 30.516 18.420 1.00 0.00 H new ATOM 436 N GLU A 29 8.483 26.536 20.939 1.00 0.00 N ATOM 437 CA GLU A 29 8.357 25.087 20.817 1.00 0.00 C ATOM 438 C GLU A 29 7.387 24.733 19.697 1.00 0.00 C ATOM 439 O GLU A 29 7.483 23.663 19.093 1.00 0.00 O ATOM 440 CB GLU A 29 7.857 24.501 22.135 1.00 0.00 C ATOM 441 CG GLU A 29 7.908 22.974 22.073 1.00 0.00 C ATOM 442 CD GLU A 29 7.305 22.396 23.346 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.850 23.177 24.165 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.311 21.184 23.489 1.00 0.00 O1- ATOM 0 H GLU A 29 8.222 26.907 21.853 1.00 0.00 H new ATOM 0 HA GLU A 29 9.335 24.668 20.581 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.471 24.862 22.960 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.837 24.833 22.328 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.359 22.616 21.202 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.939 22.638 21.960 1.00 0.00 H new ATOM 451 N GLN A 30 6.455 25.641 19.419 1.00 0.00 N ATOM 452 CA GLN A 30 5.481 25.409 18.359 1.00 0.00 C ATOM 453 C GLN A 30 6.213 25.046 17.066 1.00 0.00 C ATOM 454 O GLN A 30 5.614 24.509 16.132 1.00 0.00 O ATOM 455 CB GLN A 30 4.627 26.661 18.124 1.00 0.00 C ATOM 456 CG GLN A 30 3.885 27.048 19.411 1.00 0.00 C ATOM 457 CD GLN A 30 2.978 28.249 19.146 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.071 28.880 18.094 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.103 28.609 20.044 1.00 0.00 N ATOM 0 H GLN A 30 6.355 26.532 19.906 1.00 0.00 H new ATOM 0 HA GLN A 30 4.827 24.591 18.660 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.261 27.486 17.799 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.910 26.476 17.324 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.293 26.205 19.767 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.602 27.288 20.196 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.024 28.087 20.917 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.498 29.412 19.873 1.00 0.00 H new ATOM 468 N LYS A 31 7.514 25.353 17.021 1.00 0.00 N ATOM 469 CA LYS A 31 8.331 25.065 15.842 1.00 0.00 C ATOM 470 C LYS A 31 8.124 23.623 15.416 1.00 0.00 C ATOM 471 O LYS A 31 8.380 23.242 14.277 1.00 0.00 O ATOM 472 CB LYS A 31 9.815 25.261 16.166 1.00 0.00 C ATOM 473 CG LYS A 31 10.367 23.997 16.835 1.00 0.00 C ATOM 474 CD LYS A 31 11.795 24.259 17.314 1.00 0.00 C ATOM 475 CE LYS A 31 12.453 22.935 17.705 1.00 0.00 C ATOM 476 NZ LYS A 31 12.807 22.169 16.477 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.020 25.799 17.786 1.00 0.00 H new ATOM 0 HA LYS A 31 8.034 25.744 15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.372 25.474 15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.943 26.119 16.826 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.736 23.712 17.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.355 23.165 16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.371 24.745 16.526 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.785 24.938 18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.348 23.124 18.298 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.775 22.351 18.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.521 21.449 16.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.956 21.704 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.191 22.818 15.761 1.00 0.00 H new ATOM 490 N ASP A 32 7.682 22.817 16.356 1.00 0.00 N ATOM 491 CA ASP A 32 7.459 21.412 16.087 1.00 0.00 C ATOM 492 C ASP A 32 6.528 21.225 14.897 1.00 0.00 C ATOM 493 O ASP A 32 6.757 20.360 14.053 1.00 0.00 O ATOM 494 CB ASP A 32 6.850 20.761 17.321 1.00 0.00 C ATOM 495 CG ASP A 32 6.858 19.249 17.168 1.00 0.00 C ATOM 496 OD1 ASP A 32 6.880 18.790 16.039 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.843 18.572 18.183 1.00 0.00 O1- ATOM 0 H ASP A 32 7.470 23.108 17.310 1.00 0.00 H new ATOM 0 HA ASP A 32 8.414 20.944 15.848 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.413 21.048 18.209 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.829 21.115 17.463 1.00 0.00 H new ATOM 502 N LEU A 33 5.477 22.034 14.835 1.00 0.00 N ATOM 503 CA LEU A 33 4.524 21.933 13.739 1.00 0.00 C ATOM 504 C LEU A 33 5.197 22.210 12.398 1.00 0.00 C ATOM 505 O LEU A 33 5.089 21.409 11.469 1.00 0.00 O ATOM 506 CB LEU A 33 3.374 22.927 13.929 1.00 0.00 C ATOM 507 CG LEU A 33 2.365 22.381 14.947 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.856 22.653 16.371 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.012 23.068 14.737 1.00 0.00 C ATOM 0 H LEU A 33 5.265 22.758 15.522 1.00 0.00 H new ATOM 0 HA LEU A 33 4.134 20.915 13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.765 23.885 14.271 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.878 23.107 12.975 1.00 0.00 H new ATOM 0 HG LEU A 33 2.261 21.305 14.805 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.133 22.262 17.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.818 22.164 16.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.967 23.727 16.519 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.292 22.682 15.459 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.124 24.143 14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.655 22.868 13.727 1.00 0.00 H new ATOM 521 N VAL A 34 5.885 23.347 12.299 1.00 0.00 N ATOM 522 CA VAL A 34 6.551 23.706 11.050 1.00 0.00 C ATOM 523 C VAL A 34 7.590 22.659 10.690 1.00 0.00 C ATOM 524 O VAL A 34 7.888 22.432 9.519 1.00 0.00 O ATOM 525 CB VAL A 34 7.194 25.104 11.150 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.499 25.061 11.952 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.489 25.622 9.743 1.00 0.00 C ATOM 0 H VAL A 34 5.994 24.024 13.054 1.00 0.00 H new ATOM 0 HA VAL A 34 5.803 23.739 10.258 1.00 0.00 H new ATOM 0 HB VAL A 34 6.497 25.766 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.927 26.062 12.004 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.295 24.701 12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.205 24.389 11.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.944 26.610 9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.174 24.939 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.560 25.686 9.177 1.00 0.00 H new ATOM 537 N ALA A 35 8.127 22.015 11.713 1.00 0.00 N ATOM 538 CA ALA A 35 9.126 20.980 11.509 1.00 0.00 C ATOM 539 C ALA A 35 8.522 19.799 10.752 1.00 0.00 C ATOM 540 O ALA A 35 9.110 19.296 9.797 1.00 0.00 O ATOM 541 CB ALA A 35 9.654 20.513 12.865 1.00 0.00 C ATOM 0 H ALA A 35 7.889 22.190 12.689 1.00 0.00 H new ATOM 0 HA ALA A 35 9.946 21.387 10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.404 19.736 12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.104 21.356 13.390 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.831 20.114 13.458 1.00 0.00 H new ATOM 689 N ASN A 45 12.346 26.755 7.925 1.00 0.00 N ATOM 690 CA ASN A 45 10.949 26.850 8.302 1.00 0.00 C ATOM 691 C ASN A 45 10.089 27.066 7.061 1.00 0.00 C ATOM 692 O ASN A 45 9.272 27.983 7.016 1.00 0.00 O ATOM 693 CB ASN A 45 10.726 27.981 9.304 1.00 0.00 C ATOM 694 CG ASN A 45 11.486 27.693 10.594 1.00 0.00 C ATOM 695 OD1 ASN A 45 10.976 27.001 11.475 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.681 28.189 10.761 1.00 0.00 N ATOM 0 HA ASN A 45 10.659 25.915 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.062 28.927 8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.662 28.086 9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.194 28.004 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.102 28.762 10.030 1.00 0.00 H new ATOM 703 N GLN A 46 10.303 26.226 6.051 1.00 0.00 N ATOM 704 CA GLN A 46 9.557 26.320 4.793 1.00 0.00 C ATOM 705 C GLN A 46 9.568 27.752 4.258 1.00 0.00 C ATOM 706 O GLN A 46 8.524 28.392 4.157 1.00 0.00 O ATOM 707 CB GLN A 46 8.110 25.822 4.978 1.00 0.00 C ATOM 708 CG GLN A 46 7.388 26.610 6.080 1.00 0.00 C ATOM 709 CD GLN A 46 5.917 26.223 6.102 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.134 26.688 5.274 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.491 25.395 7.009 1.00 0.00 N ATOM 0 H GLN A 46 10.988 25.470 6.077 1.00 0.00 H new ATOM 0 HA GLN A 46 10.049 25.680 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.565 25.922 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.117 24.762 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.844 26.402 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.490 27.681 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.141 25.011 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.506 25.130 7.035 1.00 0.00 H new ATOM 720 N LEU A 47 10.766 28.240 3.912 1.00 0.00 N ATOM 721 CA LEU A 47 10.924 29.602 3.392 1.00 0.00 C ATOM 722 C LEU A 47 9.982 29.867 2.220 1.00 0.00 C ATOM 723 O LEU A 47 9.354 30.922 2.147 1.00 0.00 O ATOM 724 CB LEU A 47 12.365 29.850 2.915 1.00 0.00 C ATOM 725 CG LEU A 47 13.261 30.236 4.099 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.733 29.974 3.759 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.085 31.725 4.400 1.00 0.00 C ATOM 0 H LEU A 47 11.637 27.713 3.983 1.00 0.00 H new ATOM 0 HA LEU A 47 10.683 30.277 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.755 28.953 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.376 30.644 2.168 1.00 0.00 H new ATOM 0 HG LEU A 47 12.978 29.637 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.358 30.252 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.872 28.916 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.017 30.567 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.720 32.004 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.366 32.309 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.043 31.925 4.650 1.00 0.00 H new ATOM 739 N ASP A 48 9.937 28.930 1.278 1.00 0.00 N ATOM 740 CA ASP A 48 9.120 29.106 0.082 1.00 0.00 C ATOM 741 C ASP A 48 7.640 29.302 0.410 1.00 0.00 C ATOM 742 O ASP A 48 7.025 30.274 -0.039 1.00 0.00 O ATOM 743 CB ASP A 48 9.299 27.900 -0.846 1.00 0.00 C ATOM 744 CG ASP A 48 9.197 26.595 -0.064 1.00 0.00 C ATOM 745 OD1 ASP A 48 9.801 26.512 0.996 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 8.529 25.693 -0.545 1.00 0.00 O ATOM 0 H ASP A 48 10.451 28.050 1.318 1.00 0.00 H new ATOM 0 HA ASP A 48 9.459 30.014 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.540 27.921 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.268 27.957 -1.342 1.00 0.00 H new ATOM 751 N LEU A 49 7.073 28.396 1.196 1.00 0.00 N ATOM 752 CA LEU A 49 5.666 28.503 1.570 1.00 0.00 C ATOM 753 C LEU A 49 5.446 29.724 2.461 1.00 0.00 C ATOM 754 O LEU A 49 4.425 30.406 2.353 1.00 0.00 O ATOM 755 CB LEU A 49 5.231 27.242 2.318 1.00 0.00 C ATOM 756 CG LEU A 49 5.591 26.003 1.493 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.020 24.758 2.170 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.009 26.131 0.085 1.00 0.00 C ATOM 0 H LEU A 49 7.558 27.587 1.584 1.00 0.00 H new ATOM 0 HA LEU A 49 5.071 28.612 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.720 27.198 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.157 27.269 2.502 1.00 0.00 H new ATOM 0 HG LEU A 49 6.676 25.918 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.276 23.875 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.441 24.663 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.936 24.846 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.268 25.247 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.924 26.220 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.419 27.017 -0.399 1.00 0.00 H new ATOM 770 N LEU A 50 6.407 29.980 3.349 1.00 0.00 N ATOM 771 CA LEU A 50 6.301 31.106 4.269 1.00 0.00 C ATOM 772 C LEU A 50 6.181 32.409 3.490 1.00 0.00 C ATOM 773 O LEU A 50 5.331 33.246 3.791 1.00 0.00 O ATOM 774 CB LEU A 50 7.549 31.168 5.154 1.00 0.00 C ATOM 775 CG LEU A 50 7.150 31.214 6.629 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.414 31.355 7.478 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.233 32.414 6.875 1.00 0.00 C ATOM 0 H LEU A 50 7.259 29.427 3.448 1.00 0.00 H new ATOM 0 HA LEU A 50 5.414 30.970 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.179 30.298 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.139 32.049 4.902 1.00 0.00 H new ATOM 0 HG LEU A 50 6.622 30.299 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.142 31.389 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.069 30.502 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.933 32.274 7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.949 32.446 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.758 33.333 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.338 32.320 6.260 1.00 0.00 H new ATOM 789 N HIS A 51 7.041 32.572 2.487 1.00 0.00 N ATOM 790 CA HIS A 51 7.033 33.773 1.671 1.00 0.00 C ATOM 791 C HIS A 51 5.692 33.954 0.980 1.00 0.00 C ATOM 792 O HIS A 51 5.092 35.027 1.051 1.00 0.00 O ATOM 793 CB HIS A 51 8.131 33.675 0.616 1.00 0.00 C ATOM 794 CG HIS A 51 9.482 33.704 1.277 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.620 34.110 0.602 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.898 33.379 2.546 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.654 34.023 1.457 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.271 33.582 2.653 1.00 0.00 N ATOM 0 H HIS A 51 7.749 31.886 2.224 1.00 0.00 H new ATOM 0 HA HIS A 51 7.208 34.631 2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.016 32.754 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.044 34.501 -0.089 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.666 34.419 -0.369 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.258 33.021 3.339 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.672 34.280 1.204 1.00 0.00 H new ATOM 807 N LYS A 52 5.212 32.904 0.321 1.00 0.00 N ATOM 808 CA LYS A 52 3.931 33.002 -0.353 1.00 0.00 C ATOM 809 C LYS A 52 2.856 33.311 0.684 1.00 0.00 C ATOM 810 O LYS A 52 2.053 34.225 0.497 1.00 0.00 O ATOM 811 CB LYS A 52 3.598 31.694 -1.085 1.00 0.00 C ATOM 812 CG LYS A 52 4.642 31.400 -2.180 1.00 0.00 C ATOM 813 CD LYS A 52 4.579 32.460 -3.288 1.00 0.00 C ATOM 814 CE LYS A 52 5.308 31.943 -4.534 1.00 0.00 C ATOM 815 NZ LYS A 52 6.693 31.522 -4.174 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.679 32.000 0.242 1.00 0.00 H new ATOM 0 HA LYS A 52 3.974 33.799 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.570 30.870 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.606 31.764 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.640 31.383 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.463 30.412 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.541 32.687 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.037 33.388 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.763 31.102 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.342 32.722 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.273 31.465 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.109 32.217 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.664 30.590 -3.714 1.00 0.00 H new ATOM 829 N TRP A 53 2.854 32.551 1.782 1.00 0.00 N ATOM 830 CA TRP A 53 1.884 32.760 2.851 1.00 0.00 C ATOM 831 C TRP A 53 1.983 34.195 3.379 1.00 0.00 C ATOM 832 O TRP A 53 0.996 34.926 3.414 1.00 0.00 O ATOM 833 CB TRP A 53 2.169 31.755 3.982 1.00 0.00 C ATOM 834 CG TRP A 53 1.041 31.702 4.973 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.003 30.837 4.926 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.846 32.506 6.175 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.818 31.056 6.025 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.339 32.077 6.821 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.573 33.557 6.762 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.782 32.664 8.010 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.128 34.152 7.958 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.046 33.707 8.580 1.00 0.00 C ATOM 0 H TRP A 53 3.511 31.790 1.951 1.00 0.00 H new ATOM 0 HA TRP A 53 0.875 32.605 2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.328 30.764 3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.090 32.034 4.493 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.172 30.098 4.157 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.668 30.527 6.222 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.479 33.910 6.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.687 32.314 8.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.696 34.958 8.399 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.381 34.168 9.497 1.00 0.00 H new ATOM 853 N LEU A 54 3.184 34.583 3.804 1.00 0.00 N ATOM 854 CA LEU A 54 3.393 35.925 4.350 1.00 0.00 C ATOM 855 C LEU A 54 2.959 36.985 3.346 1.00 0.00 C ATOM 856 O LEU A 54 2.206 37.898 3.685 1.00 0.00 O ATOM 857 CB LEU A 54 4.869 36.143 4.700 1.00 0.00 C ATOM 858 CG LEU A 54 5.002 37.390 5.592 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.650 37.037 7.049 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.436 37.924 5.531 1.00 0.00 C ATOM 0 H LEU A 54 4.018 33.997 3.782 1.00 0.00 H new ATOM 0 HA LEU A 54 2.791 36.013 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.265 35.269 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.456 36.269 3.790 1.00 0.00 H new ATOM 0 HG LEU A 54 4.314 38.155 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.747 37.926 7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.625 36.670 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.329 36.265 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.523 38.807 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.125 37.156 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.682 38.190 4.503 1.00 0.00 H new ATOM 872 N ASP A 55 3.444 36.863 2.112 1.00 0.00 N ATOM 873 CA ASP A 55 3.114 37.822 1.064 1.00 0.00 C ATOM 874 C ASP A 55 1.600 37.961 0.887 1.00 0.00 C ATOM 875 O ASP A 55 1.077 39.073 0.786 1.00 0.00 O ATOM 876 CB ASP A 55 3.740 37.353 -0.252 1.00 0.00 C ATOM 877 CG ASP A 55 5.259 37.349 -0.130 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.751 37.807 0.889 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.907 36.878 -1.052 1.00 0.00 O ATOM 0 H ASP A 55 4.065 36.111 1.815 1.00 0.00 H new ATOM 0 HA ASP A 55 3.509 38.797 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.383 36.353 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.433 38.010 -1.066 1.00 0.00 H new ATOM 884 N ARG A 56 0.900 36.831 0.849 1.00 0.00 N ATOM 885 CA ARG A 56 -0.552 36.846 0.684 1.00 0.00 C ATOM 886 C ARG A 56 -1.225 37.567 1.846 1.00 0.00 C ATOM 887 O ARG A 56 -2.291 38.159 1.682 1.00 0.00 O ATOM 888 CB ARG A 56 -1.097 35.413 0.595 1.00 0.00 C ATOM 889 CG ARG A 56 -2.616 35.439 0.391 1.00 0.00 C ATOM 890 CD ARG A 56 -3.147 33.999 0.383 1.00 0.00 C ATOM 891 NE ARG A 56 -4.595 33.964 0.172 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.300 32.868 0.454 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.699 31.818 0.935 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.587 32.842 0.244 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.309 35.900 0.929 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.775 37.378 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.620 34.885 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.854 34.866 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.092 36.011 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.861 35.935 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.650 33.431 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.904 33.515 1.329 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.071 34.788 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.692 31.835 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.235 30.978 1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.058 33.662 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.122 32.001 0.461 1.00 0.00 H new ATOM 908 N HIS A 57 -0.614 37.489 3.024 1.00 0.00 N ATOM 909 CA HIS A 57 -1.187 38.114 4.213 1.00 0.00 C ATOM 910 C HIS A 57 -0.360 39.317 4.687 1.00 0.00 C ATOM 911 O HIS A 57 -0.544 39.791 5.810 1.00 0.00 O ATOM 912 CB HIS A 57 -1.278 37.070 5.336 1.00 0.00 C ATOM 913 CG HIS A 57 -1.908 35.805 4.804 1.00 0.00 C ATOM 914 ND1 HIS A 57 -1.410 34.536 4.619 1.00 0.00 N flip ATOM 915 CD2 HIS A 57 -3.215 35.768 4.341 1.00 0.00 C flip ATOM 916 CE1 HIS A 57 -2.387 33.727 4.042 1.00 0.00 C flip ATOM 917 NE2 HIS A 57 -3.453 34.520 3.897 1.00 0.00 N flip ATOM 0 H HIS A 57 0.270 37.004 3.181 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.180 38.483 3.956 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.284 36.856 5.728 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.869 37.462 6.163 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.468 34.233 4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.914 36.591 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.301 32.685 3.771 1.00 0.00 H new ATOM 926 N ARG A 58 0.545 39.815 3.839 1.00 0.00 N ATOM 927 CA ARG A 58 1.377 40.963 4.206 1.00 0.00 C ATOM 928 C ARG A 58 0.516 42.143 4.652 1.00 0.00 C ATOM 929 O ARG A 58 0.901 42.900 5.540 1.00 0.00 O ATOM 930 CB ARG A 58 2.265 41.366 3.026 1.00 0.00 C ATOM 931 CG ARG A 58 1.406 41.896 1.885 1.00 0.00 C ATOM 932 CD ARG A 58 2.267 41.989 0.631 1.00 0.00 C ATOM 933 NE ARG A 58 3.370 42.916 0.849 1.00 0.00 N ATOM 934 CZ ARG A 58 4.398 42.951 0.014 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.436 42.132 -1.002 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.364 43.806 0.207 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.719 39.446 2.904 1.00 0.00 H new ATOM 0 HA ARG A 58 2.011 40.673 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.978 42.129 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.845 40.508 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.557 41.235 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.001 42.876 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.655 41.004 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.662 42.324 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 58 3.350 43.544 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.676 41.468 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.226 42.156 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.327 44.446 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.156 43.834 -0.435 1.00 0.00 H new ATOM 950 N ASP A 59 -0.652 42.288 4.037 1.00 0.00 N ATOM 951 CA ASP A 59 -1.563 43.372 4.388 1.00 0.00 C ATOM 952 C ASP A 59 -1.969 43.282 5.856 1.00 0.00 C ATOM 953 O ASP A 59 -2.283 44.295 6.480 1.00 0.00 O ATOM 954 CB ASP A 59 -2.806 43.315 3.503 1.00 0.00 C ATOM 955 CG ASP A 59 -3.666 44.555 3.733 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.286 45.372 4.555 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.694 44.671 3.086 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.990 41.673 3.297 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.049 44.320 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.514 43.254 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.381 42.416 3.727 1.00 0.00 H new ATOM 962 N MET A 60 -1.958 42.068 6.401 1.00 0.00 N ATOM 963 CA MET A 60 -2.328 41.862 7.799 1.00 0.00 C ATOM 964 C MET A 60 -1.415 42.666 8.723 1.00 0.00 C ATOM 965 O MET A 60 -1.817 43.075 9.806 1.00 0.00 O ATOM 966 CB MET A 60 -2.231 40.378 8.158 1.00 0.00 C ATOM 967 CG MET A 60 -0.779 40.020 8.480 1.00 0.00 C ATOM 968 SD MET A 60 -0.514 38.245 8.228 1.00 0.00 S ATOM 969 CE MET A 60 -1.408 37.651 9.690 1.00 0.00 C ATOM 0 H MET A 60 -1.699 41.218 5.900 1.00 0.00 H new ATOM 0 HA MET A 60 -3.355 42.202 7.931 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.868 40.159 9.015 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.591 39.769 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.104 40.592 7.843 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.549 40.289 9.511 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.306 36.568 9.764 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.993 38.117 10.584 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.463 37.911 9.602 1.00 0.00 H new ATOM 979 N CYS A 61 -0.185 42.887 8.277 1.00 0.00 N ATOM 980 CA CYS A 61 0.797 43.637 9.063 1.00 0.00 C ATOM 981 C CYS A 61 0.316 45.066 9.337 1.00 0.00 C ATOM 982 O CYS A 61 0.710 45.682 10.329 1.00 0.00 O ATOM 983 CB CYS A 61 2.136 43.665 8.317 1.00 0.00 C ATOM 984 SG CYS A 61 2.086 44.912 7.006 1.00 0.00 S ATOM 0 H CYS A 61 0.160 42.559 7.375 1.00 0.00 H new ATOM 0 HA CYS A 61 0.923 43.138 10.024 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.945 43.888 9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.345 42.684 7.890 1.00 0.00 H new ATOM 0 HG CYS A 61 1.620 44.378 5.916 1.00 0.00 H new ATOM 990 N GLU A 62 -0.519 45.592 8.451 1.00 0.00 N ATOM 991 CA GLU A 62 -1.026 46.950 8.609 1.00 0.00 C ATOM 992 C GLU A 62 -2.102 47.012 9.693 1.00 0.00 C ATOM 993 O GLU A 62 -2.491 48.096 10.129 1.00 0.00 O ATOM 994 CB GLU A 62 -1.613 47.455 7.287 1.00 0.00 C ATOM 995 CG GLU A 62 -0.619 47.201 6.154 1.00 0.00 C ATOM 996 CD GLU A 62 -1.089 47.892 4.878 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.209 48.370 4.864 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.318 47.932 3.932 1.00 0.00 O ATOM 0 H GLU A 62 -0.858 45.104 7.622 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.190 47.584 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.555 46.948 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.834 48.520 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.367 47.571 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.519 46.129 5.981 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.593 45.852 10.122 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.631 45.812 11.150 1.00 0.00 C ATOM 1007 C LYS A 63 -3.013 45.822 12.552 1.00 0.00 C ATOM 1008 O LYS A 63 -3.657 45.445 13.531 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.512 44.565 10.968 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.167 44.591 9.580 1.00 0.00 C ATOM 1011 CD LYS A 63 -6.226 43.479 9.490 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.904 43.497 8.112 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.484 42.300 7.321 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.294 44.939 9.780 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.251 46.702 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.910 43.663 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.279 44.534 11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.629 45.562 9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.411 44.451 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.759 42.509 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.973 43.615 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.988 43.503 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.637 44.409 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.947 42.319 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.452 42.312 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.761 41.435 7.827 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.771 46.285 12.643 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.085 46.383 13.933 1.00 0.00 C ATOM 1029 C TRP A 64 0.210 47.189 13.801 1.00 0.00 C ATOM 1030 O TRP A 64 0.490 48.074 14.612 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.771 44.997 14.513 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.030 43.925 13.505 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.320 43.741 12.373 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.041 42.870 13.529 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.815 42.639 11.704 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.886 42.073 12.368 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.065 42.533 14.432 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.717 40.980 12.111 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.905 41.433 14.175 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.731 40.660 13.017 1.00 0.00 C ATOM 0 H TRP A 64 -1.218 46.598 11.845 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.760 46.898 14.617 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.271 44.959 14.830 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.381 44.823 15.400 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.504 44.357 12.043 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.436 42.286 10.826 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.208 43.121 15.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.577 40.387 11.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.689 41.182 14.874 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.380 39.818 12.826 1.00 0.00 H new ATOM 1051 N LYS A 65 1.000 46.872 12.781 1.00 0.00 N ATOM 1052 CA LYS A 65 2.263 47.567 12.562 1.00 0.00 C ATOM 1053 C LYS A 65 3.193 47.339 13.745 1.00 0.00 C ATOM 1054 O LYS A 65 3.748 48.285 14.304 1.00 0.00 O ATOM 1055 CB LYS A 65 2.031 49.067 12.394 1.00 0.00 C ATOM 1056 CG LYS A 65 3.169 49.660 11.556 1.00 0.00 C ATOM 1057 CD LYS A 65 3.023 51.184 11.504 1.00 0.00 C ATOM 1058 CE LYS A 65 4.207 51.789 10.752 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.470 51.116 11.175 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.791 46.144 12.098 1.00 0.00 H new ATOM 0 HA LYS A 65 2.716 47.171 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.072 49.247 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.990 49.553 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.132 49.391 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.146 49.247 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.090 51.453 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.976 51.589 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.065 51.674 9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.269 52.859 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.277 51.744 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.426 50.902 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.588 50.232 10.640 1.00 0.00 H new ATOM 1073 N SER A 66 3.345 46.082 14.137 1.00 0.00 N ATOM 1074 CA SER A 66 4.192 45.747 15.272 1.00 0.00 C ATOM 1075 C SER A 66 4.843 44.386 15.059 1.00 0.00 C ATOM 1076 O SER A 66 4.545 43.691 14.094 1.00 0.00 O ATOM 1077 CB SER A 66 3.357 45.731 16.549 1.00 0.00 C ATOM 1078 OG SER A 66 2.618 44.520 16.600 1.00 0.00 O ATOM 0 H SER A 66 2.896 45.283 13.689 1.00 0.00 H new ATOM 0 HA SER A 66 4.976 46.499 15.364 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.003 45.815 17.423 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.681 46.586 16.568 1.00 0.00 H new ATOM 0 HG SER A 66 2.150 44.386 15.749 1.00 0.00 H new ATOM 1084 N LYS A 67 5.755 44.018 15.946 1.00 0.00 N ATOM 1085 CA LYS A 67 6.451 42.747 15.813 1.00 0.00 C ATOM 1086 C LYS A 67 5.862 41.666 16.713 1.00 0.00 C ATOM 1087 O LYS A 67 5.389 40.637 16.234 1.00 0.00 O ATOM 1088 CB LYS A 67 7.932 42.941 16.133 1.00 0.00 C ATOM 1089 CG LYS A 67 8.606 41.578 16.260 1.00 0.00 C ATOM 1090 CD LYS A 67 10.116 41.767 16.350 1.00 0.00 C ATOM 1091 CE LYS A 67 10.796 40.407 16.222 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.714 39.700 17.533 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.028 44.574 16.757 1.00 0.00 H new ATOM 0 HA LYS A 67 6.330 42.410 14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.412 43.524 15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.044 43.502 17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.240 41.060 17.146 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.357 40.955 15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.459 42.435 15.560 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.381 42.233 17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.313 39.816 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.838 40.533 15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.175 38.771 17.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.193 40.265 18.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.716 39.570 17.796 1.00 0.00 H new ATOM 1106 N GLU A 68 5.914 41.895 18.014 1.00 0.00 N ATOM 1107 CA GLU A 68 5.417 40.917 18.978 1.00 0.00 C ATOM 1108 C GLU A 68 3.938 40.599 18.774 1.00 0.00 C ATOM 1109 O GLU A 68 3.536 39.436 18.865 1.00 0.00 O ATOM 1110 CB GLU A 68 5.624 41.464 20.393 1.00 0.00 C ATOM 1111 CG GLU A 68 7.124 41.568 20.684 1.00 0.00 C ATOM 1112 CD GLU A 68 7.351 42.107 22.094 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.500 41.886 22.941 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.371 42.743 22.303 1.00 0.00 O1- ATOM 0 H GLU A 68 6.293 42.745 18.430 1.00 0.00 H new ATOM 0 HA GLU A 68 5.974 39.992 18.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.155 42.443 20.488 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.146 40.809 21.121 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.591 40.588 20.582 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.599 42.225 19.955 1.00 0.00 H new ATOM 1121 N ASP A 69 3.131 41.617 18.504 1.00 0.00 N ATOM 1122 CA ASP A 69 1.703 41.393 18.311 1.00 0.00 C ATOM 1123 C ASP A 69 1.436 40.509 17.097 1.00 0.00 C ATOM 1124 O ASP A 69 0.655 39.554 17.167 1.00 0.00 O ATOM 1125 CB ASP A 69 0.974 42.722 18.145 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.507 42.527 18.440 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.929 41.382 18.517 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.197 43.521 18.582 1.00 0.00 O ATOM 0 H ASP A 69 3.432 42.588 18.415 1.00 0.00 H new ATOM 0 HA ASP A 69 1.329 40.881 19.198 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.395 43.467 18.820 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.108 43.098 17.131 1.00 0.00 H new ATOM 1133 N ILE A 70 2.074 40.837 15.982 1.00 0.00 N ATOM 1134 CA ILE A 70 1.878 40.068 14.762 1.00 0.00 C ATOM 1135 C ILE A 70 2.297 38.617 14.955 1.00 0.00 C ATOM 1136 O ILE A 70 1.634 37.707 14.463 1.00 0.00 O ATOM 1137 CB ILE A 70 2.696 40.665 13.617 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.368 42.145 13.464 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.346 39.939 12.318 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.179 42.711 12.295 1.00 0.00 C ATOM 0 H ILE A 70 2.723 41.619 15.897 1.00 0.00 H new ATOM 0 HA ILE A 70 0.816 40.106 14.519 1.00 0.00 H new ATOM 0 HB ILE A 70 3.758 40.550 13.835 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.301 42.279 13.283 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.605 42.681 14.383 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.927 40.361 11.498 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.578 38.879 12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.283 40.059 12.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.953 43.771 12.175 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.243 42.587 12.497 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.919 42.179 11.380 1.00 0.00 H new ATOM 1152 N LEU A 71 3.407 38.396 15.655 1.00 0.00 N ATOM 1153 CA LEU A 71 3.888 37.033 15.869 1.00 0.00 C ATOM 1154 C LEU A 71 2.843 36.187 16.583 1.00 0.00 C ATOM 1155 O LEU A 71 2.622 35.030 16.227 1.00 0.00 O ATOM 1156 CB LEU A 71 5.176 37.021 16.698 1.00 0.00 C ATOM 1157 CG LEU A 71 6.336 37.640 15.915 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.622 37.516 16.736 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.518 36.901 14.590 1.00 0.00 C ATOM 0 H LEU A 71 3.981 39.127 16.076 1.00 0.00 H new ATOM 0 HA LEU A 71 4.087 36.612 14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.022 37.574 17.625 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.425 35.997 16.975 1.00 0.00 H new ATOM 0 HG LEU A 71 6.118 38.690 15.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.451 37.956 16.182 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.500 38.040 17.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.831 36.464 16.928 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.345 37.345 14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.735 35.851 14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.604 36.979 14.001 1.00 0.00 H new ATOM 1171 N HIS A 72 2.202 36.769 17.586 1.00 0.00 N ATOM 1172 CA HIS A 72 1.181 36.042 18.335 1.00 0.00 C ATOM 1173 C HIS A 72 0.041 35.611 17.416 1.00 0.00 C ATOM 1174 O HIS A 72 -0.420 34.469 17.474 1.00 0.00 O ATOM 1175 CB HIS A 72 0.639 36.919 19.460 1.00 0.00 C ATOM 1176 CG HIS A 72 1.776 37.390 20.326 1.00 0.00 C ATOM 1177 ND1 HIS A 72 3.004 36.745 20.354 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.887 38.442 21.203 1.00 0.00 C ATOM 1179 CE1 HIS A 72 3.791 37.408 21.220 1.00 0.00 C ATOM 1180 NE2 HIS A 72 3.160 38.452 21.766 1.00 0.00 N ATOM 0 H HIS A 72 2.365 37.726 17.898 1.00 0.00 H new ATOM 0 HA HIS A 72 1.636 35.149 18.762 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.107 37.775 19.044 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.079 36.358 20.058 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.105 39.154 21.422 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.810 37.130 21.447 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.531 39.113 22.448 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.402 36.529 16.560 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.481 36.221 15.622 1.00 0.00 C ATOM 1191 C LYS A 73 -1.066 35.071 14.694 1.00 0.00 C ATOM 1192 O LYS A 73 -1.808 34.104 14.515 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.821 37.452 14.774 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.167 38.662 15.661 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.846 38.228 16.968 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.169 37.511 16.678 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.295 38.483 16.794 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.037 37.479 16.495 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.358 35.926 16.198 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.976 37.699 14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.663 37.225 14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.258 39.218 15.890 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.825 39.338 15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.183 37.567 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.029 39.100 17.596 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.149 37.078 15.678 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.311 36.688 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.194 37.998 16.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.317 38.876 17.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.160 39.254 16.109 1.00 0.00 H new ATOM 1211 N LEU A 74 0.118 35.192 14.092 1.00 0.00 N ATOM 1212 CA LEU A 74 0.607 34.162 13.176 1.00 0.00 C ATOM 1213 C LEU A 74 0.616 32.799 13.842 1.00 0.00 C ATOM 1214 O LEU A 74 0.217 31.808 13.237 1.00 0.00 O ATOM 1215 CB LEU A 74 2.024 34.487 12.688 1.00 0.00 C ATOM 1216 CG LEU A 74 1.967 35.450 11.498 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.496 36.829 11.945 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.364 35.581 10.888 1.00 0.00 C ATOM 0 H LEU A 74 0.749 35.983 14.220 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.072 34.142 12.324 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.602 34.932 13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.536 33.569 12.398 1.00 0.00 H new ATOM 0 HG LEU A 74 1.265 35.054 10.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.462 37.498 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.501 36.749 12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.188 37.227 12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.328 36.266 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.054 35.968 11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.707 34.603 10.550 1.00 0.00 H new ATOM 1230 N ASN A 75 1.077 32.748 15.081 1.00 0.00 N ATOM 1231 CA ASN A 75 1.138 31.488 15.797 1.00 0.00 C ATOM 1232 C ASN A 75 -0.244 30.837 15.891 1.00 0.00 C ATOM 1233 O ASN A 75 -0.389 29.643 15.629 1.00 0.00 O ATOM 1234 CB ASN A 75 1.689 31.726 17.200 1.00 0.00 C ATOM 1235 CG ASN A 75 3.065 32.380 17.120 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.806 32.163 16.161 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.453 33.174 18.079 1.00 0.00 N ATOM 0 H ASN A 75 1.411 33.556 15.606 1.00 0.00 H new ATOM 0 HA ASN A 75 1.795 30.813 15.249 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.007 32.363 17.763 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.758 30.780 17.737 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.371 33.616 18.035 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.838 33.353 18.873 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.261 31.621 16.258 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.616 31.073 16.375 1.00 0.00 C ATOM 1246 C GLU A 76 -3.143 30.636 15.008 1.00 0.00 C ATOM 1247 O GLU A 76 -3.799 29.601 14.884 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.563 32.107 17.011 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.107 32.396 18.448 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.096 33.324 19.145 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.016 33.779 18.487 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -3.920 33.561 20.329 1.00 0.00 O ATOM 0 H GLU A 76 -1.177 32.614 16.475 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.575 30.197 17.022 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.563 33.026 16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.585 31.729 17.011 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.022 31.462 19.004 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.117 32.852 18.437 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.847 31.426 13.985 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.286 31.111 12.627 1.00 0.00 C ATOM 1261 C GLN A 77 -2.501 29.925 12.069 1.00 0.00 C ATOM 1262 O GLN A 77 -3.064 29.054 11.407 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.073 32.330 11.731 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.783 32.130 10.391 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.857 33.461 9.655 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.020 33.967 9.357 1.00 0.00 O flip ATOM 1267 NE2 GLN A 77 -2.825 34.063 9.353 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.307 32.287 14.066 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.344 30.848 12.652 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.455 33.224 12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.007 32.488 11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.246 31.398 9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.786 31.735 10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.915 33.665 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.880 34.959 8.869 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.193 29.913 12.330 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.324 28.846 11.840 1.00 0.00 C ATOM 1278 C TRP A 78 -0.862 27.484 12.261 1.00 0.00 C ATOM 1279 O TRP A 78 -0.881 26.546 11.466 1.00 0.00 O ATOM 1280 CB TRP A 78 1.091 29.027 12.403 1.00 0.00 C ATOM 1281 CG TRP A 78 2.106 28.409 11.486 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.074 27.137 11.030 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.313 29.012 10.928 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.186 26.916 10.235 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.978 28.043 10.138 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.888 30.293 11.030 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.174 28.335 9.475 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.092 30.587 10.365 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.732 29.610 9.591 1.00 0.00 C ATOM 0 H TRP A 78 -0.715 30.629 12.877 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.296 28.896 10.752 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.305 30.088 12.529 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.157 28.569 13.390 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.306 26.411 11.250 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.395 26.029 9.777 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.402 31.054 11.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.663 27.580 8.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.526 31.572 10.452 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.657 29.843 9.084 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.306 27.383 13.513 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.851 26.127 14.017 1.00 0.00 C ATOM 1302 C ASN A 79 -3.204 25.857 13.378 1.00 0.00 C ATOM 1303 O ASN A 79 -3.511 24.735 12.976 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.016 26.203 15.536 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.650 26.296 16.207 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.421 26.398 15.471 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.557 26.281 17.435 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.299 28.147 14.189 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.163 25.319 13.767 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.620 27.071 15.801 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.548 25.322 15.896 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.396 26.201 18.009 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.359 26.348 17.878 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.001 26.913 13.303 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.338 26.845 12.730 1.00 0.00 C ATOM 1316 C LYS A 80 -5.293 26.456 11.262 1.00 0.00 C ATOM 1317 O LYS A 80 -6.188 25.782 10.755 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.992 28.214 12.864 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.488 28.093 12.612 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.136 29.473 12.770 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.275 29.391 13.786 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.626 30.763 14.237 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.740 27.841 13.637 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.909 26.085 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.813 28.618 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.549 28.911 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.670 27.704 11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.932 27.387 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.393 30.199 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.516 29.820 11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.144 28.909 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.975 28.781 14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.401 30.713 14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.795 31.206 14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.928 31.331 13.419 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.255 26.910 10.580 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.107 26.627 9.164 1.00 0.00 C ATOM 1338 C ASP A 81 -3.824 25.149 8.934 1.00 0.00 C ATOM 1339 O ASP A 81 -4.779 24.390 8.850 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.972 27.473 8.595 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.007 27.426 7.075 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.840 26.707 6.543 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.205 28.110 6.463 1.00 0.00 O ATOM 1344 OXT ASP A 81 -2.661 24.795 8.848 1.00 0.00 O ATOM 0 H ASP A 81 -3.506 27.473 10.982 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.039 26.876 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.066 28.503 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.013 27.103 8.958 1.00 0.00 H new