USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=11 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 30 GLN : amide:sc= -0.0285 K(o=-1,f=-2.5) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.98! K(o=-1!,f=-1.6) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -128:sc= 0.371 (180deg=-0.00165) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -5.51! C(o=-5.1!,f=-16!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.496) USER MOD Set 3.2: A 45 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.45) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 165:sc= -1.11 USER MOD Single : A 15 ASN : amide:sc= -5.4! C(o=-5.4!,f=-5!) USER MOD Single : A 16 GLN : amide:sc= -9.33! C(o=-9.3!,f=-15!) USER MOD Single : A 19 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.8!) USER MOD Single : A 46 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 60 MET CE :methyl -130:sc= -3.01 (180deg=-6.49!) USER MOD Single : A 61 CYS SG : rot -72:sc= -1.69 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 -100:sc= -4.16! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -2.91! C(o=-2.9!,f=-7.5!) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.288 (180deg=-1.38!) USER MOD Single : A 75 ASN :FLIP amide:sc= -4.6! C(o=-7.8!,f=-4.6!) USER MOD Single : A 77 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.959 50.831 1.632 1.00 0.00 N ATOM 93 CA LYS A 8 4.082 49.523 2.275 1.00 0.00 C ATOM 94 C LYS A 8 5.552 49.170 2.511 1.00 0.00 C ATOM 95 O LYS A 8 6.438 49.993 2.298 1.00 0.00 O ATOM 96 CB LYS A 8 3.425 48.447 1.411 1.00 0.00 C ATOM 97 CG LYS A 8 1.956 48.805 1.190 1.00 0.00 C ATOM 98 CD LYS A 8 1.226 47.621 0.551 1.00 0.00 C ATOM 99 CE LYS A 8 -0.223 48.011 0.255 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.313 48.584 -1.117 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.576 49.569 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.940 48.368 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.505 47.475 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.488 49.063 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.878 49.682 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.729 47.325 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.252 46.761 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.870 47.138 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.572 48.738 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.298 48.849 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.293 49.427 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.004 47.876 -1.810 1.00 0.00 H new ATOM 114 N PHE A 9 5.799 47.941 2.964 1.00 0.00 N ATOM 115 CA PHE A 9 7.166 47.490 3.239 1.00 0.00 C ATOM 116 C PHE A 9 7.915 47.142 1.953 1.00 0.00 C ATOM 117 O PHE A 9 7.334 46.620 1.000 1.00 0.00 O ATOM 118 CB PHE A 9 7.132 46.256 4.146 1.00 0.00 C ATOM 119 CG PHE A 9 6.771 46.663 5.552 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.429 46.725 5.943 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.782 46.969 6.469 1.00 0.00 C ATOM 122 CE1 PHE A 9 5.099 47.100 7.249 1.00 0.00 C ATOM 123 CE2 PHE A 9 7.453 47.344 7.776 1.00 0.00 C ATOM 124 CZ PHE A 9 6.110 47.408 8.167 1.00 0.00 C ATOM 0 H PHE A 9 5.078 47.244 3.148 1.00 0.00 H new ATOM 0 HA PHE A 9 7.691 48.309 3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.406 45.536 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.104 45.762 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.649 46.483 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.818 46.916 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.063 47.152 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.234 47.584 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.854 47.695 9.176 1.00 0.00 H new ATOM 134 N THR A 10 9.216 47.422 1.951 1.00 0.00 N ATOM 135 CA THR A 10 10.061 47.126 0.798 1.00 0.00 C ATOM 136 C THR A 10 10.520 45.675 0.838 1.00 0.00 C ATOM 137 O THR A 10 10.506 45.044 1.890 1.00 0.00 O ATOM 138 CB THR A 10 11.288 48.039 0.803 1.00 0.00 C ATOM 139 OG1 THR A 10 12.069 47.774 1.962 1.00 0.00 O ATOM 140 CG2 THR A 10 10.844 49.502 0.806 1.00 0.00 C ATOM 0 H THR A 10 9.707 47.853 2.734 1.00 0.00 H new ATOM 0 HA THR A 10 9.480 47.296 -0.109 1.00 0.00 H new ATOM 0 HB THR A 10 11.884 47.849 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.959 48.170 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.722 50.149 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.249 49.703 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.245 49.699 1.695 1.00 0.00 H new ATOM 148 N ASP A 11 10.930 45.146 -0.309 1.00 0.00 N ATOM 149 CA ASP A 11 11.388 43.768 -0.364 1.00 0.00 C ATOM 150 C ASP A 11 12.522 43.545 0.631 1.00 0.00 C ATOM 151 O ASP A 11 12.562 42.526 1.319 1.00 0.00 O ATOM 152 CB ASP A 11 11.858 43.427 -1.778 1.00 0.00 C ATOM 153 CG ASP A 11 10.667 43.443 -2.730 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.549 43.501 -2.244 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 10.889 43.397 -3.929 1.00 0.00 O ATOM 0 H ASP A 11 10.954 45.643 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 11 10.557 43.114 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.609 44.146 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.331 42.445 -1.788 1.00 0.00 H new ATOM 160 N ASP A 12 13.437 44.508 0.719 1.00 0.00 N ATOM 161 CA ASP A 12 14.550 44.387 1.653 1.00 0.00 C ATOM 162 C ASP A 12 14.028 44.410 3.085 1.00 0.00 C ATOM 163 O ASP A 12 14.421 43.592 3.917 1.00 0.00 O ATOM 164 CB ASP A 12 15.549 45.528 1.443 1.00 0.00 C ATOM 165 CG ASP A 12 16.194 45.404 0.067 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.906 44.433 -0.613 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.972 46.277 -0.283 1.00 0.00 O1- ATOM 0 H ASP A 12 13.430 45.365 0.166 1.00 0.00 H new ATOM 0 HA ASP A 12 15.059 43.440 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.042 46.489 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.315 45.500 2.218 1.00 0.00 H new ATOM 172 N GLU A 13 13.117 45.340 3.360 1.00 0.00 N ATOM 173 CA GLU A 13 12.525 45.447 4.687 1.00 0.00 C ATOM 174 C GLU A 13 11.687 44.212 4.978 1.00 0.00 C ATOM 175 O GLU A 13 11.731 43.653 6.071 1.00 0.00 O ATOM 176 CB GLU A 13 11.644 46.694 4.756 1.00 0.00 C ATOM 177 CG GLU A 13 12.527 47.940 4.784 1.00 0.00 C ATOM 178 CD GLU A 13 13.405 47.918 6.030 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.982 47.342 7.020 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.492 48.469 5.974 1.00 0.00 O1- ATOM 0 H GLU A 13 12.776 46.025 2.686 1.00 0.00 H new ATOM 0 HA GLU A 13 13.319 45.524 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.976 46.728 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.016 46.660 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.149 47.977 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.908 48.837 4.779 1.00 0.00 H new ATOM 187 N TRP A 14 10.928 43.797 3.979 1.00 0.00 N ATOM 188 CA TRP A 14 10.082 42.632 4.108 1.00 0.00 C ATOM 189 C TRP A 14 10.951 41.419 4.408 1.00 0.00 C ATOM 190 O TRP A 14 10.649 40.637 5.303 1.00 0.00 O ATOM 191 CB TRP A 14 9.317 42.442 2.798 1.00 0.00 C ATOM 192 CG TRP A 14 8.047 41.689 3.018 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.689 40.588 2.325 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.955 41.962 3.954 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.451 40.161 2.767 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.955 40.975 3.769 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.730 42.955 4.932 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.782 40.973 4.525 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.551 42.952 5.692 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.579 41.964 5.487 1.00 0.00 C ATOM 0 H TRP A 14 10.883 44.254 3.068 1.00 0.00 H new ATOM 0 HA TRP A 14 9.369 42.757 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.095 43.415 2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.942 41.906 2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.275 40.117 1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.963 39.345 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.471 43.723 5.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.035 40.209 4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.392 43.715 6.439 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.672 41.969 6.074 1.00 0.00 H new ATOM 211 N ASN A 15 12.045 41.285 3.662 1.00 0.00 N ATOM 212 CA ASN A 15 12.969 40.174 3.854 1.00 0.00 C ATOM 213 C ASN A 15 13.426 40.098 5.312 1.00 0.00 C ATOM 214 O ASN A 15 13.514 39.015 5.898 1.00 0.00 O ATOM 215 CB ASN A 15 14.186 40.378 2.950 1.00 0.00 C ATOM 216 CG ASN A 15 13.769 40.298 1.483 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.876 39.527 1.132 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.364 41.061 0.604 1.00 0.00 N ATOM 0 H ASN A 15 12.312 41.932 2.920 1.00 0.00 H new ATOM 0 HA ASN A 15 12.462 39.243 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.642 41.347 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.939 39.620 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.089 41.019 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.103 41.698 0.899 1.00 0.00 H new ATOM 225 N GLN A 16 13.688 41.258 5.902 1.00 0.00 N ATOM 226 CA GLN A 16 14.103 41.298 7.299 1.00 0.00 C ATOM 227 C GLN A 16 12.971 40.774 8.168 1.00 0.00 C ATOM 228 O GLN A 16 13.187 39.994 9.094 1.00 0.00 O ATOM 229 CB GLN A 16 14.460 42.726 7.719 1.00 0.00 C ATOM 230 CG GLN A 16 15.888 43.052 7.275 1.00 0.00 C ATOM 231 CD GLN A 16 15.970 43.092 5.754 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.812 42.065 5.095 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.209 44.226 5.153 1.00 0.00 N ATOM 0 H GLN A 16 13.622 42.168 5.445 1.00 0.00 H new ATOM 0 HA GLN A 16 14.988 40.674 7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.760 43.432 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.372 42.830 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.195 44.013 7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.578 42.303 7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.340 45.076 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.265 44.262 4.135 1.00 0.00 H new ATOM 242 N LEU A 17 11.755 41.200 7.841 1.00 0.00 N ATOM 243 CA LEU A 17 10.583 40.761 8.577 1.00 0.00 C ATOM 244 C LEU A 17 10.422 39.253 8.440 1.00 0.00 C ATOM 245 O LEU A 17 9.998 38.578 9.376 1.00 0.00 O ATOM 246 CB LEU A 17 9.332 41.462 8.044 1.00 0.00 C ATOM 247 CG LEU A 17 8.114 41.014 8.854 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.229 41.545 10.284 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.843 41.566 8.205 1.00 0.00 C ATOM 0 H LEU A 17 11.560 41.845 7.075 1.00 0.00 H new ATOM 0 HA LEU A 17 10.712 41.017 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.451 42.543 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.189 41.223 6.990 1.00 0.00 H new ATOM 0 HG LEU A 17 8.070 39.925 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.361 41.226 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.136 41.154 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.272 42.634 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.973 41.248 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.888 42.655 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.762 41.189 7.186 1.00 0.00 H new ATOM 261 N LYS A 18 10.769 38.728 7.266 1.00 0.00 N ATOM 262 CA LYS A 18 10.661 37.294 7.036 1.00 0.00 C ATOM 263 C LYS A 18 11.501 36.543 8.059 1.00 0.00 C ATOM 264 O LYS A 18 11.058 35.549 8.626 1.00 0.00 O ATOM 265 CB LYS A 18 11.140 36.929 5.624 1.00 0.00 C ATOM 266 CG LYS A 18 10.254 37.607 4.579 1.00 0.00 C ATOM 267 CD LYS A 18 10.565 37.045 3.192 1.00 0.00 C ATOM 268 CE LYS A 18 9.842 37.875 2.130 1.00 0.00 C ATOM 269 NZ LYS A 18 9.618 37.037 0.919 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.121 39.265 6.474 1.00 0.00 H new ATOM 0 HA LYS A 18 9.613 37.011 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.176 37.240 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.112 35.848 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.203 37.445 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.421 38.684 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.640 37.064 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.250 36.003 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.889 38.234 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.434 38.754 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.976 37.537 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.121 36.133 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.600 36.856 0.806 1.00 0.00 H new ATOM 283 N GLN A 19 12.717 37.030 8.296 1.00 0.00 N ATOM 284 CA GLN A 19 13.601 36.384 9.263 1.00 0.00 C ATOM 285 C GLN A 19 12.986 36.409 10.656 1.00 0.00 C ATOM 286 O GLN A 19 13.057 35.422 11.388 1.00 0.00 O ATOM 287 CB GLN A 19 14.959 37.087 9.303 1.00 0.00 C ATOM 288 CG GLN A 19 15.644 36.986 7.940 1.00 0.00 C ATOM 289 CD GLN A 19 15.629 35.543 7.449 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.814 34.614 8.237 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.419 35.300 6.185 1.00 0.00 N ATOM 0 H GLN A 19 13.108 37.855 7.841 1.00 0.00 H new ATOM 0 HA GLN A 19 13.738 35.349 8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.827 38.134 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.589 36.635 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.135 37.628 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.672 37.342 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.266 36.072 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.407 34.338 5.846 1.00 0.00 H new ATOM 300 N ASP A 20 12.388 37.537 11.023 1.00 0.00 N ATOM 301 CA ASP A 20 11.773 37.659 12.339 1.00 0.00 C ATOM 302 C ASP A 20 10.693 36.604 12.526 1.00 0.00 C ATOM 303 O ASP A 20 10.574 36.014 13.601 1.00 0.00 O ATOM 304 CB ASP A 20 11.168 39.052 12.501 1.00 0.00 C ATOM 305 CG ASP A 20 12.277 40.088 12.637 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.352 39.722 13.085 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.031 41.234 12.301 1.00 0.00 O ATOM 0 H ASP A 20 12.316 38.369 10.437 1.00 0.00 H new ATOM 0 HA ASP A 20 12.542 37.507 13.096 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.542 39.288 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.524 39.078 13.380 1.00 0.00 H new ATOM 312 N PHE A 21 9.917 36.363 11.477 1.00 0.00 N ATOM 313 CA PHE A 21 8.862 35.368 11.549 1.00 0.00 C ATOM 314 C PHE A 21 9.491 33.992 11.722 1.00 0.00 C ATOM 315 O PHE A 21 9.079 33.201 12.572 1.00 0.00 O ATOM 316 CB PHE A 21 8.012 35.417 10.278 1.00 0.00 C ATOM 317 CG PHE A 21 7.057 36.592 10.350 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.368 37.714 11.134 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.857 36.561 9.627 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.486 38.794 11.191 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.974 37.648 9.688 1.00 0.00 C ATOM 322 CZ PHE A 21 5.289 38.763 10.471 1.00 0.00 C ATOM 0 H PHE A 21 9.998 36.838 10.578 1.00 0.00 H new ATOM 0 HA PHE A 21 8.214 35.575 12.400 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.654 35.511 9.402 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.453 34.488 10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.291 37.742 11.694 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.613 35.700 9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.729 39.657 11.794 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.050 37.624 9.130 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.608 39.599 10.519 1.00 0.00 H new ATOM 332 N ILE A 22 10.522 33.736 10.928 1.00 0.00 N ATOM 333 CA ILE A 22 11.246 32.477 11.012 1.00 0.00 C ATOM 334 C ILE A 22 11.829 32.309 12.417 1.00 0.00 C ATOM 335 O ILE A 22 11.735 31.244 13.023 1.00 0.00 O ATOM 336 CB ILE A 22 12.360 32.446 9.964 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.738 32.530 8.569 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.150 31.143 10.085 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.843 32.683 7.523 1.00 0.00 C ATOM 0 H ILE A 22 10.874 34.382 10.221 1.00 0.00 H new ATOM 0 HA ILE A 22 10.561 31.653 10.816 1.00 0.00 H new ATOM 0 HB ILE A 22 13.031 33.290 10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.153 31.633 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.053 33.376 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.942 31.127 9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.590 31.075 11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.482 30.296 9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.398 32.743 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.409 33.593 7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.511 31.823 7.570 1.00 0.00 H new ATOM 351 N SER A 23 12.440 33.375 12.922 1.00 0.00 N ATOM 352 CA SER A 23 13.041 33.341 14.254 1.00 0.00 C ATOM 353 C SER A 23 11.997 32.971 15.308 1.00 0.00 C ATOM 354 O SER A 23 12.245 32.130 16.172 1.00 0.00 O ATOM 355 CB SER A 23 13.646 34.703 14.594 1.00 0.00 C ATOM 356 OG SER A 23 14.639 34.536 15.597 1.00 0.00 O ATOM 0 H SER A 23 12.533 34.267 12.436 1.00 0.00 H new ATOM 0 HA SER A 23 13.826 32.585 14.253 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.084 35.152 13.703 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.869 35.382 14.944 1.00 0.00 H new ATOM 0 HG SER A 23 15.031 35.407 15.817 1.00 0.00 H new ATOM 362 N GLY A 24 10.825 33.598 15.225 1.00 0.00 N ATOM 363 CA GLY A 24 9.751 33.316 16.175 1.00 0.00 C ATOM 364 C GLY A 24 9.320 31.860 16.076 1.00 0.00 C ATOM 365 O GLY A 24 8.880 31.260 17.056 1.00 0.00 O ATOM 0 H GLY A 24 10.596 34.297 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.088 33.533 17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.900 33.968 15.975 1.00 0.00 H new ATOM 369 N ILE A 25 9.449 31.303 14.879 1.00 0.00 N ATOM 370 CA ILE A 25 9.073 29.915 14.639 1.00 0.00 C ATOM 371 C ILE A 25 10.053 28.968 15.321 1.00 0.00 C ATOM 372 O ILE A 25 9.659 27.934 15.859 1.00 0.00 O ATOM 373 CB ILE A 25 9.071 29.650 13.131 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.945 30.446 12.471 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.882 28.160 12.860 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.628 29.675 12.586 1.00 0.00 C ATOM 0 H ILE A 25 9.811 31.790 14.059 1.00 0.00 H new ATOM 0 HA ILE A 25 8.079 29.741 15.051 1.00 0.00 H new ATOM 0 HB ILE A 25 10.027 29.964 12.713 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.849 31.421 12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.181 30.626 11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.882 27.983 11.784 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.696 27.600 13.320 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.932 27.831 13.282 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.829 30.247 12.114 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.726 28.710 12.088 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.389 29.518 13.638 1.00 0.00 H new ATOM 388 N LEU A 26 11.329 29.329 15.296 1.00 0.00 N ATOM 389 CA LEU A 26 12.362 28.504 15.917 1.00 0.00 C ATOM 390 C LEU A 26 12.508 28.835 17.404 1.00 0.00 C ATOM 391 O LEU A 26 12.901 27.986 18.202 1.00 0.00 O ATOM 392 CB LEU A 26 13.692 28.713 15.183 1.00 0.00 C ATOM 393 CG LEU A 26 14.557 29.725 15.937 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.203 29.052 17.151 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.649 30.251 15.000 1.00 0.00 C ATOM 0 H LEU A 26 11.674 30.182 14.856 1.00 0.00 H new ATOM 0 HA LEU A 26 12.070 27.457 15.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.221 27.764 15.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.505 29.067 14.169 1.00 0.00 H new ATOM 0 HG LEU A 26 13.935 30.553 16.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.818 29.777 17.684 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.425 28.677 17.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.827 28.222 16.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.269 30.973 15.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.269 29.421 14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.188 30.734 14.139 1.00 0.00 H new ATOM 407 N GLU A 27 12.179 30.072 17.768 1.00 0.00 N ATOM 408 CA GLU A 27 12.267 30.502 19.163 1.00 0.00 C ATOM 409 C GLU A 27 11.145 29.885 19.993 1.00 0.00 C ATOM 410 O GLU A 27 11.329 29.566 21.168 1.00 0.00 O ATOM 411 CB GLU A 27 12.183 32.030 19.241 1.00 0.00 C ATOM 412 CG GLU A 27 12.086 32.474 20.705 1.00 0.00 C ATOM 413 CD GLU A 27 13.367 32.120 21.451 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.407 32.078 20.817 1.00 0.00 O ATOM 415 OE2 GLU A 27 13.286 31.889 22.648 1.00 0.00 O1- ATOM 0 H GLU A 27 11.851 30.790 17.122 1.00 0.00 H new ATOM 0 HA GLU A 27 13.222 30.166 19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.062 32.475 18.774 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.314 32.384 18.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.913 33.549 20.755 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.234 31.991 21.183 1.00 0.00 H new ATOM 422 N ASN A 28 9.976 29.743 19.380 1.00 0.00 N ATOM 423 CA ASN A 28 8.820 29.188 20.074 1.00 0.00 C ATOM 424 C ASN A 28 8.756 27.670 19.925 1.00 0.00 C ATOM 425 O ASN A 28 9.312 27.100 18.987 1.00 0.00 O ATOM 426 CB ASN A 28 7.539 29.801 19.508 1.00 0.00 C ATOM 427 CG ASN A 28 7.547 31.312 19.713 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.355 31.833 20.482 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.691 32.051 19.065 1.00 0.00 N ATOM 0 H ASN A 28 9.804 30.003 18.409 1.00 0.00 H new ATOM 0 HA ASN A 28 8.918 29.427 21.133 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.455 29.571 18.446 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.670 29.364 19.999 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.690 33.063 19.195 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.022 31.618 18.428 1.00 0.00 H new ATOM 436 N GLU A 29 8.056 27.023 20.852 1.00 0.00 N ATOM 437 CA GLU A 29 7.906 25.574 20.804 1.00 0.00 C ATOM 438 C GLU A 29 7.287 25.173 19.472 1.00 0.00 C ATOM 439 O GLU A 29 7.464 24.051 18.998 1.00 0.00 O ATOM 440 CB GLU A 29 6.999 25.105 21.945 1.00 0.00 C ATOM 441 CG GLU A 29 6.976 23.576 21.986 1.00 0.00 C ATOM 442 CD GLU A 29 5.934 23.097 22.992 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.889 23.719 23.074 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.198 22.114 23.666 1.00 0.00 O1- ATOM 0 H GLU A 29 7.588 27.474 21.638 1.00 0.00 H new ATOM 0 HA GLU A 29 8.886 25.110 20.910 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.360 25.499 22.895 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.989 25.490 21.803 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.747 23.181 20.996 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.960 23.196 22.261 1.00 0.00 H new ATOM 451 N GLN A 30 6.552 26.113 18.887 1.00 0.00 N ATOM 452 CA GLN A 30 5.879 25.894 17.610 1.00 0.00 C ATOM 453 C GLN A 30 6.837 25.331 16.561 1.00 0.00 C ATOM 454 O GLN A 30 6.408 24.877 15.495 1.00 0.00 O ATOM 455 CB GLN A 30 5.301 27.220 17.113 1.00 0.00 C ATOM 456 CG GLN A 30 4.293 27.746 18.134 1.00 0.00 C ATOM 457 CD GLN A 30 3.069 26.838 18.172 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.422 26.624 17.147 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.713 26.285 19.299 1.00 0.00 N ATOM 0 H GLN A 30 6.406 27.042 19.281 1.00 0.00 H new ATOM 0 HA GLN A 30 5.082 25.166 17.763 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.100 27.946 16.967 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.817 27.079 16.146 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.753 27.792 19.121 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.995 28.762 17.873 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.251 26.464 20.147 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.897 25.674 19.332 1.00 0.00 H new ATOM 468 N LYS A 31 8.131 25.370 16.854 1.00 0.00 N ATOM 469 CA LYS A 31 9.124 24.867 15.911 1.00 0.00 C ATOM 470 C LYS A 31 8.849 23.411 15.541 1.00 0.00 C ATOM 471 O LYS A 31 9.074 23.002 14.403 1.00 0.00 O ATOM 472 CB LYS A 31 10.531 24.979 16.501 1.00 0.00 C ATOM 473 CG LYS A 31 11.545 24.519 15.451 1.00 0.00 C ATOM 474 CD LYS A 31 12.960 24.571 16.026 1.00 0.00 C ATOM 475 CE LYS A 31 13.954 24.093 14.966 1.00 0.00 C ATOM 476 NZ LYS A 31 14.339 25.235 14.089 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.514 25.739 17.724 1.00 0.00 H new ATOM 0 HA LYS A 31 9.057 25.477 15.010 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.735 26.008 16.797 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.613 24.367 17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.312 23.504 15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.480 25.155 14.568 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.202 25.588 16.336 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.027 23.943 16.914 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.839 23.675 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.509 23.297 14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.756 24.871 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.495 25.800 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.035 25.831 14.581 1.00 0.00 H new ATOM 490 N ASP A 32 8.365 22.631 16.500 1.00 0.00 N ATOM 491 CA ASP A 32 8.076 21.227 16.239 1.00 0.00 C ATOM 492 C ASP A 32 7.022 21.082 15.143 1.00 0.00 C ATOM 493 O ASP A 32 7.089 20.164 14.325 1.00 0.00 O ATOM 494 CB ASP A 32 7.604 20.537 17.525 1.00 0.00 C ATOM 495 CG ASP A 32 6.367 21.232 18.087 1.00 0.00 C ATOM 496 OD1 ASP A 32 5.664 21.868 17.323 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.149 21.126 19.284 1.00 0.00 O1- ATOM 0 H ASP A 32 8.167 22.941 17.451 1.00 0.00 H new ATOM 0 HA ASP A 32 8.992 20.747 15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.378 19.491 17.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.403 20.551 18.266 1.00 0.00 H new ATOM 502 N LEU A 33 6.060 21.998 15.126 1.00 0.00 N ATOM 503 CA LEU A 33 5.003 21.966 14.123 1.00 0.00 C ATOM 504 C LEU A 33 5.568 22.244 12.739 1.00 0.00 C ATOM 505 O LEU A 33 5.291 21.520 11.780 1.00 0.00 O ATOM 506 CB LEU A 33 3.955 23.027 14.450 1.00 0.00 C ATOM 507 CG LEU A 33 2.774 22.899 13.485 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.071 21.561 13.717 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.789 24.043 13.736 1.00 0.00 C ATOM 0 H LEU A 33 5.990 22.768 15.792 1.00 0.00 H new ATOM 0 HA LEU A 33 4.551 20.974 14.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.612 22.909 15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.394 24.022 14.373 1.00 0.00 H new ATOM 0 HG LEU A 33 3.134 22.947 12.457 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.230 21.468 13.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.773 20.746 13.542 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.708 21.514 14.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.946 23.955 13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.428 23.993 14.763 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.290 24.997 13.574 1.00 0.00 H new ATOM 521 N VAL A 34 6.359 23.304 12.641 1.00 0.00 N ATOM 522 CA VAL A 34 6.953 23.671 11.360 1.00 0.00 C ATOM 523 C VAL A 34 7.925 22.590 10.896 1.00 0.00 C ATOM 524 O VAL A 34 8.099 22.365 9.701 1.00 0.00 O ATOM 525 CB VAL A 34 7.669 25.023 11.467 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.161 24.811 11.731 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.483 25.786 10.154 1.00 0.00 C ATOM 0 H VAL A 34 6.602 23.917 13.419 1.00 0.00 H new ATOM 0 HA VAL A 34 6.155 23.761 10.623 1.00 0.00 H new ATOM 0 HB VAL A 34 7.246 25.594 12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.658 25.778 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.291 24.264 12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.598 24.240 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.988 26.750 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.908 25.208 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.420 25.945 9.973 1.00 0.00 H new ATOM 537 N ALA A 35 8.554 21.919 11.852 1.00 0.00 N ATOM 538 CA ALA A 35 9.501 20.863 11.521 1.00 0.00 C ATOM 539 C ALA A 35 8.812 19.764 10.719 1.00 0.00 C ATOM 540 O ALA A 35 9.254 19.419 9.626 1.00 0.00 O ATOM 541 CB ALA A 35 10.089 20.274 12.805 1.00 0.00 C ATOM 0 H ALA A 35 8.428 22.084 12.851 1.00 0.00 H new ATOM 0 HA ALA A 35 10.303 21.288 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.797 19.484 12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.603 21.057 13.363 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.287 19.860 13.416 1.00 0.00 H new ATOM 689 N ASN A 45 12.903 27.014 7.264 1.00 0.00 N ATOM 690 CA ASN A 45 11.700 26.236 7.496 1.00 0.00 C ATOM 691 C ASN A 45 10.605 26.645 6.523 1.00 0.00 C ATOM 692 O ASN A 45 9.856 27.592 6.769 1.00 0.00 O ATOM 693 CB ASN A 45 11.241 26.418 8.940 1.00 0.00 C ATOM 694 CG ASN A 45 12.109 25.565 9.858 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.268 24.368 9.621 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.692 26.110 10.888 1.00 0.00 N ATOM 0 HA ASN A 45 11.919 25.181 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.312 27.467 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.194 26.130 9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.281 25.544 11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.559 27.102 11.083 1.00 0.00 H new ATOM 703 N GLN A 46 10.542 25.932 5.403 1.00 0.00 N ATOM 704 CA GLN A 46 9.560 26.219 4.360 1.00 0.00 C ATOM 705 C GLN A 46 9.552 27.709 4.033 1.00 0.00 C ATOM 706 O GLN A 46 8.529 28.383 4.156 1.00 0.00 O ATOM 707 CB GLN A 46 8.156 25.742 4.768 1.00 0.00 C ATOM 708 CG GLN A 46 7.719 26.373 6.093 1.00 0.00 C ATOM 709 CD GLN A 46 6.277 25.981 6.398 1.00 0.00 C ATOM 710 OE1 GLN A 46 6.025 25.191 7.307 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.308 26.482 5.683 1.00 0.00 N ATOM 0 H GLN A 46 11.161 25.149 5.193 1.00 0.00 H new ATOM 0 HA GLN A 46 9.848 25.668 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.441 25.999 3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.151 24.656 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.374 26.041 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.807 27.458 6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.516 27.137 4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.342 26.219 5.878 1.00 0.00 H new ATOM 720 N LEU A 47 10.714 28.204 3.607 1.00 0.00 N ATOM 721 CA LEU A 47 10.862 29.613 3.249 1.00 0.00 C ATOM 722 C LEU A 47 9.919 29.985 2.108 1.00 0.00 C ATOM 723 O LEU A 47 9.271 31.030 2.145 1.00 0.00 O ATOM 724 CB LEU A 47 12.306 29.893 2.814 1.00 0.00 C ATOM 725 CG LEU A 47 13.147 30.302 4.028 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.639 30.134 3.715 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.862 31.769 4.362 1.00 0.00 C ATOM 0 H LEU A 47 11.564 27.651 3.502 1.00 0.00 H new ATOM 0 HA LEU A 47 10.614 30.212 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.733 29.005 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.322 30.685 2.066 1.00 0.00 H new ATOM 0 HG LEU A 47 12.888 29.668 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.228 30.427 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.845 29.092 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.906 30.764 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.457 32.068 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.123 32.394 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.803 31.891 4.591 1.00 0.00 H new ATOM 739 N ASP A 48 9.873 29.138 1.084 1.00 0.00 N ATOM 740 CA ASP A 48 9.033 29.404 -0.078 1.00 0.00 C ATOM 741 C ASP A 48 7.562 29.522 0.305 1.00 0.00 C ATOM 742 O ASP A 48 6.900 30.492 -0.062 1.00 0.00 O ATOM 743 CB ASP A 48 9.201 28.278 -1.100 1.00 0.00 C ATOM 744 CG ASP A 48 8.361 28.567 -2.339 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.064 29.727 -2.569 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.025 27.623 -3.038 1.00 0.00 O1- ATOM 0 H ASP A 48 10.403 28.268 1.035 1.00 0.00 H new ATOM 0 HA ASP A 48 9.348 30.355 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.251 28.181 -1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.899 27.328 -0.659 1.00 0.00 H new ATOM 751 N LEU A 49 7.050 28.536 1.034 1.00 0.00 N ATOM 752 CA LEU A 49 5.647 28.568 1.437 1.00 0.00 C ATOM 753 C LEU A 49 5.398 29.718 2.417 1.00 0.00 C ATOM 754 O LEU A 49 4.375 30.402 2.339 1.00 0.00 O ATOM 755 CB LEU A 49 5.259 27.224 2.059 1.00 0.00 C ATOM 756 CG LEU A 49 5.591 26.104 1.068 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.047 24.769 1.591 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.953 26.419 -0.286 1.00 0.00 C ATOM 0 H LEU A 49 7.572 27.720 1.353 1.00 0.00 H new ATOM 0 HA LEU A 49 5.025 28.738 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.798 27.072 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.196 27.212 2.298 1.00 0.00 H new ATOM 0 HG LEU A 49 6.673 26.031 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.286 23.976 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.502 24.543 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.965 24.838 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.188 25.623 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.872 26.494 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.344 27.365 -0.661 1.00 0.00 H new ATOM 770 N LEU A 50 6.332 29.912 3.347 1.00 0.00 N ATOM 771 CA LEU A 50 6.191 30.969 4.345 1.00 0.00 C ATOM 772 C LEU A 50 6.058 32.319 3.657 1.00 0.00 C ATOM 773 O LEU A 50 5.216 33.134 4.033 1.00 0.00 O ATOM 774 CB LEU A 50 7.429 30.999 5.250 1.00 0.00 C ATOM 775 CG LEU A 50 7.128 31.765 6.545 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.338 31.674 7.477 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.849 33.239 6.240 1.00 0.00 C ATOM 0 H LEU A 50 7.184 29.358 3.430 1.00 0.00 H new ATOM 0 HA LEU A 50 5.300 30.769 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.739 29.981 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.259 31.472 4.725 1.00 0.00 H new ATOM 0 HG LEU A 50 6.251 31.324 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.129 32.217 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.540 30.628 7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.208 32.112 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.637 33.769 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.721 33.683 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.990 33.316 5.574 1.00 0.00 H new ATOM 789 N HIS A 51 6.896 32.552 2.651 1.00 0.00 N ATOM 790 CA HIS A 51 6.868 33.808 1.919 1.00 0.00 C ATOM 791 C HIS A 51 5.510 34.038 1.267 1.00 0.00 C ATOM 792 O HIS A 51 4.951 35.127 1.358 1.00 0.00 O ATOM 793 CB HIS A 51 7.961 33.800 0.850 1.00 0.00 C ATOM 794 CG HIS A 51 9.305 33.911 1.515 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.413 34.432 0.867 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.734 33.573 2.776 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.445 34.396 1.732 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.086 33.882 2.910 1.00 0.00 N ATOM 0 H HIS A 51 7.599 31.888 2.327 1.00 0.00 H new ATOM 0 HA HIS A 51 7.046 34.620 2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.907 32.882 0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.815 34.629 0.158 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.442 34.780 -0.091 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.117 33.134 3.546 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.442 34.741 1.500 1.00 0.00 H new ATOM 807 N LYS A 52 4.983 33.011 0.607 1.00 0.00 N ATOM 808 CA LYS A 52 3.688 33.143 -0.052 1.00 0.00 C ATOM 809 C LYS A 52 2.604 33.465 0.973 1.00 0.00 C ATOM 810 O LYS A 52 1.830 34.402 0.789 1.00 0.00 O ATOM 811 CB LYS A 52 3.349 31.852 -0.797 1.00 0.00 C ATOM 812 CG LYS A 52 4.324 31.682 -1.966 1.00 0.00 C ATOM 813 CD LYS A 52 3.833 30.567 -2.889 1.00 0.00 C ATOM 814 CE LYS A 52 4.781 29.370 -2.797 1.00 0.00 C ATOM 815 NZ LYS A 52 4.199 28.216 -3.536 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.422 32.095 0.515 1.00 0.00 H new ATOM 0 HA LYS A 52 3.738 33.961 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.417 30.999 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.323 31.887 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.408 32.616 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.319 31.444 -1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.824 30.267 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.784 30.927 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.753 29.630 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.944 29.102 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.844 27.403 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.281 27.963 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.065 28.475 -4.534 1.00 0.00 H new ATOM 829 N TRP A 53 2.568 32.703 2.063 1.00 0.00 N ATOM 830 CA TRP A 53 1.586 32.943 3.119 1.00 0.00 C ATOM 831 C TRP A 53 1.753 34.364 3.637 1.00 0.00 C ATOM 832 O TRP A 53 0.792 35.124 3.752 1.00 0.00 O ATOM 833 CB TRP A 53 1.836 31.950 4.258 1.00 0.00 C ATOM 834 CG TRP A 53 0.722 31.972 5.259 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.328 31.119 5.267 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.540 32.854 6.407 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.134 31.411 6.352 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.646 32.474 7.083 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.279 33.934 6.926 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.081 33.136 8.233 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.843 34.603 8.082 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.336 34.205 8.735 1.00 0.00 C ATOM 0 H TRP A 53 3.200 31.922 2.238 1.00 0.00 H new ATOM 0 HA TRP A 53 0.575 32.813 2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.940 30.945 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.776 32.192 4.753 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.507 30.337 4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.987 30.902 6.584 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.186 34.250 6.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.987 32.823 8.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.418 35.430 8.472 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.665 34.725 9.623 1.00 0.00 H new ATOM 853 N LEU A 54 2.998 34.704 3.939 1.00 0.00 N ATOM 854 CA LEU A 54 3.321 36.028 4.440 1.00 0.00 C ATOM 855 C LEU A 54 2.896 37.091 3.433 1.00 0.00 C ATOM 856 O LEU A 54 2.162 38.021 3.764 1.00 0.00 O ATOM 857 CB LEU A 54 4.831 36.114 4.665 1.00 0.00 C ATOM 858 CG LEU A 54 5.201 37.496 5.189 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.830 37.605 6.669 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.705 37.706 5.019 1.00 0.00 C ATOM 0 H LEU A 54 3.799 34.080 3.845 1.00 0.00 H new ATOM 0 HA LEU A 54 2.790 36.201 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.145 35.350 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.358 35.917 3.732 1.00 0.00 H new ATOM 0 HG LEU A 54 4.657 38.258 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.097 38.595 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.758 37.450 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.371 36.848 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.979 38.693 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.245 36.943 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.966 37.631 3.963 1.00 0.00 H new ATOM 872 N ASP A 55 3.376 36.950 2.203 1.00 0.00 N ATOM 873 CA ASP A 55 3.061 37.902 1.149 1.00 0.00 C ATOM 874 C ASP A 55 1.554 38.029 0.952 1.00 0.00 C ATOM 875 O ASP A 55 1.039 39.128 0.753 1.00 0.00 O ATOM 876 CB ASP A 55 3.710 37.445 -0.159 1.00 0.00 C ATOM 877 CG ASP A 55 5.218 37.303 0.033 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.696 37.674 1.092 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.870 36.822 -0.878 1.00 0.00 O1- ATOM 0 H ASP A 55 3.985 36.185 1.913 1.00 0.00 H new ATOM 0 HA ASP A 55 3.451 38.877 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.283 36.493 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.501 38.165 -0.950 1.00 0.00 H new ATOM 884 N ARG A 56 0.855 36.898 0.999 1.00 0.00 N ATOM 885 CA ARG A 56 -0.591 36.891 0.814 1.00 0.00 C ATOM 886 C ARG A 56 -1.291 37.729 1.878 1.00 0.00 C ATOM 887 O ARG A 56 -2.331 38.331 1.615 1.00 0.00 O ATOM 888 CB ARG A 56 -1.117 35.456 0.883 1.00 0.00 C ATOM 889 CG ARG A 56 -2.577 35.433 0.428 1.00 0.00 C ATOM 890 CD ARG A 56 -3.186 34.059 0.720 1.00 0.00 C ATOM 891 NE ARG A 56 -2.397 33.010 0.083 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.272 32.952 -1.238 1.00 0.00 C ATOM 893 NH1 ARG A 56 -2.889 33.820 -1.992 1.00 0.00 N ATOM 894 NH2 ARG A 56 -1.540 32.021 -1.783 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.265 35.979 1.163 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.803 37.322 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.516 34.805 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.035 35.074 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.141 36.209 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.639 35.650 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.224 33.892 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.213 34.024 0.355 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.934 32.309 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.468 34.544 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.792 33.774 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.063 31.337 -1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.444 31.976 -2.797 1.00 0.00 H new ATOM 908 N HIS A 57 -0.724 37.754 3.081 1.00 0.00 N ATOM 909 CA HIS A 57 -1.315 38.513 4.176 1.00 0.00 C ATOM 910 C HIS A 57 -0.416 39.669 4.607 1.00 0.00 C ATOM 911 O HIS A 57 -0.500 40.126 5.740 1.00 0.00 O ATOM 912 CB HIS A 57 -1.568 37.592 5.371 1.00 0.00 C ATOM 913 CG HIS A 57 -2.571 36.533 4.998 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.829 36.847 4.505 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.524 35.162 5.054 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.479 35.688 4.288 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.730 34.631 4.606 1.00 0.00 N ATOM 0 H HIS A 57 0.137 37.262 3.320 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.258 38.929 3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.634 37.126 5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.936 38.172 6.217 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.678 34.583 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.486 35.622 3.903 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.986 33.646 4.536 1.00 0.00 H new ATOM 926 N ARG A 58 0.437 40.146 3.705 1.00 0.00 N ATOM 927 CA ARG A 58 1.331 41.258 4.036 1.00 0.00 C ATOM 928 C ARG A 58 0.543 42.440 4.592 1.00 0.00 C ATOM 929 O ARG A 58 1.022 43.159 5.467 1.00 0.00 O ATOM 930 CB ARG A 58 2.142 41.690 2.807 1.00 0.00 C ATOM 931 CG ARG A 58 1.207 41.977 1.630 1.00 0.00 C ATOM 932 CD ARG A 58 2.026 41.992 0.336 1.00 0.00 C ATOM 933 NE ARG A 58 3.287 42.702 0.545 1.00 0.00 N ATOM 934 CZ ARG A 58 4.276 42.628 -0.344 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.122 41.930 -1.439 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.402 43.251 -0.124 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.530 39.789 2.754 1.00 0.00 H new ATOM 0 HA ARG A 58 2.024 40.914 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.726 42.580 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.850 40.907 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.428 41.217 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.708 42.936 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.225 40.971 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.456 42.474 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 58 3.412 43.264 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.244 41.441 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.880 41.874 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.525 43.795 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.158 43.193 -0.806 1.00 0.00 H new ATOM 950 N ASP A 59 -0.672 42.618 4.090 1.00 0.00 N ATOM 951 CA ASP A 59 -1.529 43.705 4.555 1.00 0.00 C ATOM 952 C ASP A 59 -1.801 43.573 6.050 1.00 0.00 C ATOM 953 O ASP A 59 -2.062 44.566 6.728 1.00 0.00 O ATOM 954 CB ASP A 59 -2.845 43.722 3.779 1.00 0.00 C ATOM 955 CG ASP A 59 -2.604 44.270 2.377 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.543 44.831 2.158 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.483 44.123 1.545 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.086 42.030 3.366 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.009 44.647 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.258 42.715 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.578 44.337 4.300 1.00 0.00 H new ATOM 962 N MET A 60 -1.725 42.351 6.569 1.00 0.00 N ATOM 963 CA MET A 60 -1.957 42.134 7.989 1.00 0.00 C ATOM 964 C MET A 60 -0.992 42.986 8.800 1.00 0.00 C ATOM 965 O MET A 60 -1.336 43.471 9.874 1.00 0.00 O ATOM 966 CB MET A 60 -1.764 40.658 8.341 1.00 0.00 C ATOM 967 CG MET A 60 -0.285 40.279 8.213 1.00 0.00 C ATOM 968 SD MET A 60 0.464 40.199 9.856 1.00 0.00 S ATOM 969 CE MET A 60 2.185 40.110 9.311 1.00 0.00 C ATOM 0 H MET A 60 -1.508 41.509 6.035 1.00 0.00 H new ATOM 0 HA MET A 60 -2.982 42.419 8.226 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.110 40.470 9.357 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.366 40.036 7.679 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.188 39.317 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.237 41.013 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.683 39.281 9.814 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.218 39.953 8.233 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.693 41.042 9.558 1.00 0.00 H new ATOM 979 N CYS A 61 0.210 43.182 8.268 1.00 0.00 N ATOM 980 CA CYS A 61 1.212 43.995 8.946 1.00 0.00 C ATOM 981 C CYS A 61 0.766 45.448 8.996 1.00 0.00 C ATOM 982 O CYS A 61 1.098 46.185 9.923 1.00 0.00 O ATOM 983 CB CYS A 61 2.544 43.898 8.201 1.00 0.00 C ATOM 984 SG CYS A 61 2.468 44.910 6.702 1.00 0.00 S ATOM 0 H CYS A 61 0.512 42.792 7.375 1.00 0.00 H new ATOM 0 HA CYS A 61 1.333 43.625 9.964 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.358 44.238 8.842 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.754 42.860 7.942 1.00 0.00 H new ATOM 0 HG CYS A 61 1.697 44.334 5.828 1.00 0.00 H new ATOM 990 N GLU A 62 0.006 45.847 7.990 1.00 0.00 N ATOM 991 CA GLU A 62 -0.495 47.211 7.906 1.00 0.00 C ATOM 992 C GLU A 62 -1.625 47.425 8.903 1.00 0.00 C ATOM 993 O GLU A 62 -1.843 48.540 9.378 1.00 0.00 O ATOM 994 CB GLU A 62 -1.002 47.491 6.489 1.00 0.00 C ATOM 995 CG GLU A 62 0.166 47.422 5.504 1.00 0.00 C ATOM 996 CD GLU A 62 1.269 48.385 5.932 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.950 49.385 6.549 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 2.418 48.107 5.633 1.00 0.00 O ATOM 0 H GLU A 62 -0.279 45.245 7.218 1.00 0.00 H new ATOM 0 HA GLU A 62 0.319 47.896 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.766 46.763 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.469 48.475 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.556 46.405 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.178 47.674 4.501 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.350 46.351 9.205 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.467 46.437 10.140 1.00 0.00 C ATOM 1007 C LYS A 63 -2.967 46.536 11.580 1.00 0.00 C ATOM 1008 O LYS A 63 -3.458 47.360 12.351 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.372 45.216 9.981 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.964 45.206 8.570 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.952 44.046 8.432 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.469 43.990 6.994 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.861 42.825 6.289 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.186 45.421 8.820 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.036 47.339 9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.804 44.302 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.170 45.242 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.469 46.151 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.168 45.108 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.465 43.106 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.783 44.177 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.556 43.903 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.221 44.914 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.214 42.788 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.826 42.926 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.119 41.947 6.783 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.986 45.706 11.943 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.453 45.747 13.299 1.00 0.00 C ATOM 1029 C TRP A 64 0.068 45.892 13.280 1.00 0.00 C ATOM 1030 O TRP A 64 0.781 45.160 13.966 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.850 44.486 14.083 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.760 43.283 13.201 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.879 43.134 12.194 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.555 42.059 13.237 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.091 41.907 11.592 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.107 41.203 12.202 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.609 41.615 14.055 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.686 39.951 11.986 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.192 40.356 13.841 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.732 39.527 12.808 1.00 0.00 C ATOM 0 H TRP A 64 -1.555 45.014 11.330 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.881 46.616 13.798 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.195 44.364 14.946 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.865 44.591 14.466 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.129 43.855 11.904 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.559 41.564 10.792 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.972 42.246 14.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.328 39.316 11.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.000 40.024 14.476 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.187 38.561 12.648 1.00 0.00 H new ATOM 1051 N LYS A 65 0.546 46.858 12.494 1.00 0.00 N ATOM 1052 CA LYS A 65 1.978 47.127 12.385 1.00 0.00 C ATOM 1053 C LYS A 65 2.675 46.905 13.726 1.00 0.00 C ATOM 1054 O LYS A 65 2.930 47.852 14.471 1.00 0.00 O ATOM 1055 CB LYS A 65 2.186 48.574 11.930 1.00 0.00 C ATOM 1056 CG LYS A 65 3.676 48.848 11.705 1.00 0.00 C ATOM 1057 CD LYS A 65 3.864 50.321 11.330 1.00 0.00 C ATOM 1058 CE LYS A 65 5.352 50.627 11.148 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.633 52.006 11.637 1.00 0.00 N1+ ATOM 0 H LYS A 65 -0.040 47.467 11.923 1.00 0.00 H new ATOM 0 HA LYS A 65 2.410 46.442 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.632 48.757 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.792 49.259 12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.242 48.615 12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.061 48.206 10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.323 50.543 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.445 50.959 12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.954 49.904 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.628 50.538 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.644 52.218 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.068 52.689 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.384 52.075 12.644 1.00 0.00 H new ATOM 1073 N SER A 66 2.988 45.646 14.019 1.00 0.00 N ATOM 1074 CA SER A 66 3.664 45.303 15.263 1.00 0.00 C ATOM 1075 C SER A 66 4.471 44.023 15.078 1.00 0.00 C ATOM 1076 O SER A 66 4.305 43.316 14.085 1.00 0.00 O ATOM 1077 CB SER A 66 2.644 45.110 16.385 1.00 0.00 C ATOM 1078 OG SER A 66 2.038 43.833 16.254 1.00 0.00 O ATOM 0 H SER A 66 2.785 44.850 13.414 1.00 0.00 H new ATOM 0 HA SER A 66 4.336 46.118 15.532 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.133 45.195 17.355 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.885 45.891 16.341 1.00 0.00 H new ATOM 0 HG SER A 66 1.160 43.929 15.828 1.00 0.00 H new ATOM 1084 N LYS A 67 5.353 43.738 16.028 1.00 0.00 N ATOM 1085 CA LYS A 67 6.188 42.545 15.939 1.00 0.00 C ATOM 1086 C LYS A 67 5.661 41.401 16.804 1.00 0.00 C ATOM 1087 O LYS A 67 5.198 40.387 16.283 1.00 0.00 O ATOM 1088 CB LYS A 67 7.617 42.884 16.356 1.00 0.00 C ATOM 1089 CG LYS A 67 8.476 41.624 16.278 1.00 0.00 C ATOM 1090 CD LYS A 67 9.905 41.955 16.710 1.00 0.00 C ATOM 1091 CE LYS A 67 10.771 40.697 16.636 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.071 41.025 15.986 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.508 44.308 16.859 1.00 0.00 H new ATOM 0 HA LYS A 67 6.166 42.210 14.902 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.025 43.657 15.705 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.627 43.283 17.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.061 40.847 16.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.474 41.231 15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.319 42.731 16.067 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.906 42.349 17.726 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.943 40.302 17.637 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.255 39.921 16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.660 40.169 15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.898 41.383 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.564 41.752 16.543 1.00 0.00 H new ATOM 1106 N GLU A 68 5.754 41.559 18.122 1.00 0.00 N ATOM 1107 CA GLU A 68 5.303 40.514 19.039 1.00 0.00 C ATOM 1108 C GLU A 68 3.812 40.254 18.880 1.00 0.00 C ATOM 1109 O GLU A 68 3.358 39.113 18.970 1.00 0.00 O ATOM 1110 CB GLU A 68 5.572 40.928 20.487 1.00 0.00 C ATOM 1111 CG GLU A 68 7.070 41.157 20.692 1.00 0.00 C ATOM 1112 CD GLU A 68 7.355 41.420 22.166 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.440 41.839 22.857 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.481 41.208 22.581 1.00 0.00 O ATOM 0 H GLU A 68 6.133 42.390 18.576 1.00 0.00 H new ATOM 0 HA GLU A 68 5.855 39.605 18.800 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.020 41.838 20.723 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.217 40.154 21.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.630 40.285 20.354 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.404 42.003 20.091 1.00 0.00 H new ATOM 1121 N ASP A 69 3.056 41.315 18.653 1.00 0.00 N ATOM 1122 CA ASP A 69 1.612 41.183 18.495 1.00 0.00 C ATOM 1123 C ASP A 69 1.281 40.303 17.297 1.00 0.00 C ATOM 1124 O ASP A 69 0.504 39.356 17.405 1.00 0.00 O ATOM 1125 CB ASP A 69 0.985 42.565 18.306 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.069 42.815 19.378 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.221 42.565 20.536 1.00 0.00 O ATOM 1128 OD2 ASP A 69 -1.151 43.255 19.026 1.00 0.00 O1- ATOM 0 H ASP A 69 3.410 42.268 18.574 1.00 0.00 H new ATOM 0 HA ASP A 69 1.206 40.717 19.393 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.757 43.333 18.358 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.532 42.635 17.317 1.00 0.00 H new ATOM 1133 N ILE A 70 1.874 40.630 16.155 1.00 0.00 N ATOM 1134 CA ILE A 70 1.637 39.871 14.932 1.00 0.00 C ATOM 1135 C ILE A 70 2.050 38.412 15.087 1.00 0.00 C ATOM 1136 O ILE A 70 1.336 37.513 14.656 1.00 0.00 O ATOM 1137 CB ILE A 70 2.420 40.486 13.778 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.894 41.891 13.506 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.260 39.626 12.525 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.582 42.452 12.264 1.00 0.00 C ATOM 0 H ILE A 70 2.520 41.412 16.050 1.00 0.00 H new ATOM 0 HA ILE A 70 0.567 39.909 14.725 1.00 0.00 H new ATOM 0 HB ILE A 70 3.476 40.535 14.042 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.814 41.866 13.358 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.084 42.536 14.364 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.822 40.071 11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.638 38.623 12.722 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.206 39.570 12.254 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.210 43.457 12.064 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.659 42.490 12.430 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.370 41.810 11.409 1.00 0.00 H new ATOM 1152 N LEU A 71 3.207 38.180 15.691 1.00 0.00 N ATOM 1153 CA LEU A 71 3.687 36.818 15.871 1.00 0.00 C ATOM 1154 C LEU A 71 2.653 35.976 16.600 1.00 0.00 C ATOM 1155 O LEU A 71 2.423 34.821 16.250 1.00 0.00 O ATOM 1156 CB LEU A 71 4.998 36.827 16.652 1.00 0.00 C ATOM 1157 CG LEU A 71 6.099 37.437 15.788 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.406 37.487 16.582 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.296 36.578 14.537 1.00 0.00 C ATOM 0 H LEU A 71 3.822 38.905 16.060 1.00 0.00 H new ATOM 0 HA LEU A 71 3.858 36.379 14.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.882 37.401 17.572 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.268 35.812 16.942 1.00 0.00 H new ATOM 0 HG LEU A 71 5.814 38.448 15.497 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.191 37.923 15.964 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.266 38.097 17.474 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.693 36.477 16.874 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.082 37.011 13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.581 35.568 14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.366 36.542 13.970 1.00 0.00 H new ATOM 1171 N HIS A 72 2.018 36.561 17.601 1.00 0.00 N ATOM 1172 CA HIS A 72 0.999 35.844 18.347 1.00 0.00 C ATOM 1173 C HIS A 72 -0.141 35.465 17.415 1.00 0.00 C ATOM 1174 O HIS A 72 -0.617 34.329 17.425 1.00 0.00 O ATOM 1175 CB HIS A 72 0.469 36.714 19.486 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.424 35.890 20.372 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.046 34.737 19.927 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.803 36.037 21.681 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.762 34.238 20.954 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.647 34.995 22.049 1.00 0.00 N ATOM 0 H HIS A 72 2.187 37.517 17.913 1.00 0.00 H new ATOM 0 HA HIS A 72 1.438 34.940 18.770 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.299 37.120 20.064 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.084 37.563 19.083 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -0.975 34.337 18.991 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.492 36.842 22.330 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.355 33.337 20.899 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.562 36.426 16.595 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.635 36.184 15.643 1.00 0.00 C ATOM 1191 C LYS A 73 -1.221 35.076 14.684 1.00 0.00 C ATOM 1192 O LYS A 73 -1.943 34.101 14.486 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.931 37.462 14.860 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.237 38.595 15.841 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.432 38.204 16.710 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.089 39.457 17.298 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.086 40.553 17.408 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.178 37.371 16.573 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.534 35.881 16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.077 37.726 14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.778 37.305 14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.367 38.794 16.467 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.454 39.514 15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.157 37.649 16.115 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.106 37.544 17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.918 39.774 16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.505 39.233 18.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.402 41.243 18.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.168 40.156 17.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.986 41.026 16.487 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.041 35.233 14.093 1.00 0.00 N ATOM 1212 CA LEU A 74 0.471 34.234 13.165 1.00 0.00 C ATOM 1213 C LEU A 74 0.572 32.877 13.845 1.00 0.00 C ATOM 1214 O LEU A 74 0.260 31.855 13.244 1.00 0.00 O ATOM 1215 CB LEU A 74 1.846 34.653 12.629 1.00 0.00 C ATOM 1216 CG LEU A 74 1.699 35.602 11.427 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.673 36.706 11.702 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.056 36.241 11.120 1.00 0.00 C ATOM 0 H LEU A 74 0.573 36.035 14.239 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.224 34.158 12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.414 35.145 13.418 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.411 33.769 12.333 1.00 0.00 H new ATOM 0 HG LEU A 74 1.349 35.018 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.596 37.357 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.299 36.257 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.991 37.291 12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.957 36.914 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.399 36.803 11.989 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.780 35.461 10.883 1.00 0.00 H new ATOM 1230 N ASN A 75 0.996 32.867 15.108 1.00 0.00 N ATOM 1231 CA ASN A 75 1.112 31.615 15.843 1.00 0.00 C ATOM 1232 C ASN A 75 -0.222 30.873 15.821 1.00 0.00 C ATOM 1233 O ASN A 75 -0.281 29.669 15.565 1.00 0.00 O ATOM 1234 CB ASN A 75 1.497 31.897 17.300 1.00 0.00 C ATOM 1235 CG ASN A 75 2.846 32.608 17.364 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.518 32.819 16.269 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.299 32.984 18.446 1.00 0.00 N flip ATOM 0 H ASN A 75 1.261 33.700 15.634 1.00 0.00 H new ATOM 0 HA ASN A 75 1.881 31.004 15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.731 32.512 17.773 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.544 30.962 17.858 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.773 32.819 19.304 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.200 33.460 18.484 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.294 31.610 16.099 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.635 31.035 16.125 1.00 0.00 C ATOM 1246 C GLU A 76 -3.053 30.540 14.745 1.00 0.00 C ATOM 1247 O GLU A 76 -3.674 29.485 14.612 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.630 32.094 16.594 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.299 32.516 18.027 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.283 33.585 18.489 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.190 33.891 17.733 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -4.106 34.092 19.584 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.260 32.607 16.310 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.627 30.187 16.810 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.593 32.959 15.932 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.645 31.699 16.546 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.347 31.653 18.691 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.280 32.900 18.077 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.700 31.303 13.719 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.036 30.928 12.354 1.00 0.00 C ATOM 1261 C GLN A 77 -2.111 29.820 11.866 1.00 0.00 C ATOM 1262 O GLN A 77 -2.530 28.923 11.134 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.941 32.144 11.439 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.984 33.175 11.880 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.927 34.400 10.973 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.937 34.609 10.271 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.938 35.227 10.947 1.00 0.00 N ATOM 0 H GLN A 77 -2.185 32.179 13.806 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.060 30.555 12.334 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.941 32.575 11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.114 31.852 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.980 32.734 11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.801 33.469 12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.756 35.051 11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.909 36.049 10.344 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.854 29.881 12.294 1.00 0.00 N ATOM 1277 CA TRP A 78 0.129 28.872 11.918 1.00 0.00 C ATOM 1278 C TRP A 78 -0.383 27.484 12.296 1.00 0.00 C ATOM 1279 O TRP A 78 -0.230 26.523 11.543 1.00 0.00 O ATOM 1280 CB TRP A 78 1.443 29.139 12.658 1.00 0.00 C ATOM 1281 CG TRP A 78 2.595 28.566 11.900 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.904 27.252 11.815 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.611 29.276 11.136 1.00 0.00 C ATOM 1284 NE1 TRP A 78 4.042 27.111 11.040 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.514 28.331 10.599 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.831 30.638 10.856 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.600 28.722 9.814 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.923 31.034 10.067 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.805 30.078 9.547 1.00 0.00 C ATOM 0 H TRP A 78 -0.493 30.617 12.900 1.00 0.00 H new ATOM 0 HA TRP A 78 0.294 28.918 10.842 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.583 30.212 12.788 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.402 28.700 13.655 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.353 26.445 12.276 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.478 26.215 10.821 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.156 31.383 11.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.277 27.981 9.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.084 32.082 9.860 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.643 30.389 8.940 1.00 0.00 H new ATOM 1300 N ASN A 79 -0.986 27.395 13.482 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.517 26.128 13.977 1.00 0.00 C ATOM 1302 C ASN A 79 -2.558 25.548 13.022 1.00 0.00 C ATOM 1303 O ASN A 79 -2.612 24.336 12.822 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.152 26.337 15.354 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.095 26.807 16.351 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -1.425 27.167 17.483 1.00 0.00 O ATOM 1307 ND2 ASN A 79 0.163 26.826 15.999 1.00 0.00 N ATOM 0 H ASN A 79 -1.118 28.184 14.115 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.689 25.423 14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.953 27.073 15.286 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.603 25.407 15.701 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.873 27.139 16.661 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.435 26.528 15.062 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.383 26.408 12.433 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.406 25.931 11.509 1.00 0.00 C ATOM 1316 C LYS A 80 -3.750 25.186 10.357 1.00 0.00 C ATOM 1317 O LYS A 80 -4.302 24.221 9.829 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.236 27.096 10.961 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.011 27.766 12.099 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.030 28.747 11.511 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.742 29.493 12.642 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.123 28.950 12.805 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.366 27.418 12.574 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.071 25.259 12.051 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.583 27.823 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.929 26.734 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.520 27.013 12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.324 28.292 12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.528 29.457 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.757 28.209 10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.184 29.383 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.783 30.559 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.607 29.457 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.653 29.077 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.073 27.937 13.036 1.00 0.00 H new ATOM 1336 N ASP A 81 -2.562 25.642 9.982 1.00 0.00 N ATOM 1337 CA ASP A 81 -1.819 25.018 8.898 1.00 0.00 C ATOM 1338 C ASP A 81 -2.121 23.524 8.832 1.00 0.00 C ATOM 1339 O ASP A 81 -3.097 23.165 8.197 1.00 0.00 O ATOM 1340 CB ASP A 81 -0.321 25.233 9.117 1.00 0.00 C ATOM 1341 CG ASP A 81 0.464 24.746 7.904 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -0.136 24.120 7.046 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 1.653 25.011 7.850 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.370 22.761 9.418 1.00 0.00 O ATOM 0 H ASP A 81 -2.094 26.440 10.412 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.121 25.475 7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.119 26.290 9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.004 24.697 10.009 1.00 0.00 H new