USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 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 18 LYS NZ :NH3+ -122:sc= 0.0817 (180deg=0) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -11.4! C(o=-11!,f=-14!) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.43) USER MOD Set 2.2: A 79 ASN : amide:sc= 0 K(o=-0.24,f=-1.9!) USER MOD Set 3.1: A 28 ASN : amide:sc= -0.321 K(o=-1.9,f=-6.9!) USER MOD Set 3.2: A 75 ASN : amide:sc= -1.53 K(o=-1.9,f=-2.7) USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.256 (180deg=-1.33!) USER MOD Single : A 10 THR OG1 : rot 130:sc= -1.89! USER MOD Single : A 15 ASN :FLIP amide:sc= -1.07 F(o=-2.8!,f=-1.1) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.144 F(o=-1.2,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.9!) USER MOD Single : A 23 SER OG : rot 180:sc= -3.04! USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.327 (180deg=-1.25) USER MOD Single : A 45 ASN : amide:sc= -4.52! C(o=-4.5!,f=-9.7!) USER MOD Single : A 46 GLN : amide:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= -3.66! (180deg=-6.24!) USER MOD Single : A 57 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-4.7!) USER MOD Single : A 60 MET CE :methyl -117:sc= -1.63 (180deg=-7.59!) USER MOD Single : A 61 CYS SG : rot -72:sc= -0.393 USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= -3.16! (180deg=-4.55!) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0071 (180deg=-0.456) USER MOD Single : A 66 SER OG : rot -148:sc= -4.3! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.214 F(o=-3!,f=-0.21) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.081) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.046 51.012 1.110 1.00 0.00 N ATOM 93 CA LYS A 8 4.048 49.707 1.759 1.00 0.00 C ATOM 94 C LYS A 8 5.463 49.340 2.187 1.00 0.00 C ATOM 95 O LYS A 8 6.386 50.146 2.065 1.00 0.00 O ATOM 96 CB LYS A 8 3.498 48.630 0.817 1.00 0.00 C ATOM 97 CG LYS A 8 4.465 48.406 -0.351 1.00 0.00 C ATOM 98 CD LYS A 8 3.870 47.369 -1.309 1.00 0.00 C ATOM 99 CE LYS A 8 4.918 46.940 -2.341 1.00 0.00 C ATOM 100 NZ LYS A 8 6.176 46.538 -1.649 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.406 49.761 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.354 47.698 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.522 48.932 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.642 49.344 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.430 48.062 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.525 46.501 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.000 47.788 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.538 46.109 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.118 47.759 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.622 45.754 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.829 47.347 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.956 46.232 -0.680 1.00 0.00 H new ATOM 114 N PHE A 9 5.631 48.120 2.682 1.00 0.00 N ATOM 115 CA PHE A 9 6.943 47.662 3.118 1.00 0.00 C ATOM 116 C PHE A 9 7.813 47.342 1.908 1.00 0.00 C ATOM 117 O PHE A 9 7.329 46.808 0.911 1.00 0.00 O ATOM 118 CB PHE A 9 6.795 46.417 3.998 1.00 0.00 C ATOM 119 CG PHE A 9 6.247 46.817 5.348 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.122 47.185 6.378 1.00 0.00 C ATOM 121 CD2 PHE A 9 4.864 46.820 5.571 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.614 47.557 7.629 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.358 47.194 6.822 1.00 0.00 C ATOM 124 CZ PHE A 9 5.233 47.561 7.851 1.00 0.00 C ATOM 0 H PHE A 9 4.882 47.436 2.791 1.00 0.00 H new ATOM 0 HA PHE A 9 7.419 48.453 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.128 45.699 3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.761 45.925 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.188 47.182 6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.188 46.534 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.289 47.841 8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.292 47.199 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.842 47.847 8.816 1.00 0.00 H new ATOM 134 N THR A 10 9.097 47.676 1.996 1.00 0.00 N ATOM 135 CA THR A 10 10.016 47.419 0.893 1.00 0.00 C ATOM 136 C THR A 10 10.546 45.995 0.962 1.00 0.00 C ATOM 137 O THR A 10 10.457 45.343 2.002 1.00 0.00 O ATOM 138 CB THR A 10 11.187 48.402 0.939 1.00 0.00 C ATOM 139 OG1 THR A 10 11.841 48.297 2.193 1.00 0.00 O ATOM 140 CG2 THR A 10 10.673 49.829 0.743 1.00 0.00 C ATOM 0 H THR A 10 9.521 48.120 2.810 1.00 0.00 H new ATOM 0 HA THR A 10 9.472 47.551 -0.042 1.00 0.00 H new ATOM 0 HB THR A 10 11.891 48.164 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.805 48.194 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.511 50.525 0.777 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.175 49.907 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.966 50.073 1.536 1.00 0.00 H new ATOM 148 N ASP A 11 11.090 45.512 -0.150 1.00 0.00 N ATOM 149 CA ASP A 11 11.619 44.158 -0.194 1.00 0.00 C ATOM 150 C ASP A 11 12.633 43.938 0.924 1.00 0.00 C ATOM 151 O ASP A 11 12.632 42.896 1.577 1.00 0.00 O ATOM 152 CB ASP A 11 12.296 43.905 -1.542 1.00 0.00 C ATOM 153 CG ASP A 11 11.253 43.865 -2.655 1.00 0.00 C ATOM 154 OD1 ASP A 11 10.075 43.924 -2.340 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.647 43.775 -3.807 1.00 0.00 O ATOM 0 H ASP A 11 11.175 46.033 -1.023 1.00 0.00 H new ATOM 0 HA ASP A 11 10.789 43.464 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.025 44.690 -1.744 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.843 42.963 -1.512 1.00 0.00 H new ATOM 160 N ASP A 12 13.496 44.924 1.144 1.00 0.00 N ATOM 161 CA ASP A 12 14.502 44.810 2.189 1.00 0.00 C ATOM 162 C ASP A 12 13.844 44.772 3.560 1.00 0.00 C ATOM 163 O ASP A 12 14.181 43.937 4.398 1.00 0.00 O ATOM 164 CB ASP A 12 15.468 45.990 2.116 1.00 0.00 C ATOM 165 CG ASP A 12 16.267 45.928 0.819 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.229 44.895 0.171 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.905 46.915 0.492 1.00 0.00 O ATOM 0 H ASP A 12 13.519 45.799 0.620 1.00 0.00 H new ATOM 0 HA ASP A 12 15.054 43.882 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.915 46.928 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.144 45.971 2.971 1.00 0.00 H new ATOM 172 N GLU A 13 12.892 45.671 3.777 1.00 0.00 N ATOM 173 CA GLU A 13 12.187 45.718 5.047 1.00 0.00 C ATOM 174 C GLU A 13 11.412 44.427 5.247 1.00 0.00 C ATOM 175 O GLU A 13 11.376 43.862 6.340 1.00 0.00 O ATOM 176 CB GLU A 13 11.220 46.900 5.045 1.00 0.00 C ATOM 177 CG GLU A 13 12.010 48.211 4.993 1.00 0.00 C ATOM 178 CD GLU A 13 12.772 48.420 6.298 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.468 47.730 7.257 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 13.649 49.268 6.318 1.00 0.00 O ATOM 0 H GLU A 13 12.594 46.370 3.096 1.00 0.00 H new ATOM 0 HA GLU A 13 12.905 45.836 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.550 46.833 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.597 46.874 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.707 48.191 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.331 49.046 4.822 1.00 0.00 H new ATOM 187 N TRP A 14 10.796 43.967 4.169 1.00 0.00 N ATOM 188 CA TRP A 14 10.022 42.747 4.202 1.00 0.00 C ATOM 189 C TRP A 14 10.928 41.565 4.520 1.00 0.00 C ATOM 190 O TRP A 14 10.612 40.756 5.389 1.00 0.00 O ATOM 191 CB TRP A 14 9.345 42.564 2.849 1.00 0.00 C ATOM 192 CG TRP A 14 8.092 41.760 2.988 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.802 40.673 2.246 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.958 41.957 3.891 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.561 40.187 2.624 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.004 40.944 3.634 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.658 42.907 4.892 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.805 40.868 4.345 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.451 42.831 5.606 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.527 41.814 5.333 1.00 0.00 C ATOM 0 H TRP A 14 10.821 44.427 3.259 1.00 0.00 H new ATOM 0 HA TRP A 14 9.261 42.805 4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.112 43.538 2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.027 42.066 2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.435 40.249 1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.114 39.370 2.207 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.361 43.697 5.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.096 40.081 4.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.234 43.562 6.371 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.601 41.762 5.886 1.00 0.00 H new ATOM 211 N ASN A 15 12.059 41.473 3.824 1.00 0.00 N ATOM 212 CA ASN A 15 12.995 40.379 4.060 1.00 0.00 C ATOM 213 C ASN A 15 13.366 40.314 5.536 1.00 0.00 C ATOM 214 O ASN A 15 13.473 39.233 6.115 1.00 0.00 O ATOM 215 CB ASN A 15 14.265 40.598 3.238 1.00 0.00 C ATOM 216 CG ASN A 15 13.970 40.456 1.749 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.802 40.025 1.362 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.830 40.743 0.917 1.00 0.00 N flip ATOM 0 H ASN A 15 12.346 42.134 3.102 1.00 0.00 H new ATOM 0 HA ASN A 15 12.519 39.444 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.670 41.589 3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.026 39.876 3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.743 41.080 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.630 40.644 -0.078 1.00 0.00 H new ATOM 225 N GLN A 16 13.538 41.483 6.139 1.00 0.00 N ATOM 226 CA GLN A 16 13.871 41.555 7.554 1.00 0.00 C ATOM 227 C GLN A 16 12.723 40.966 8.359 1.00 0.00 C ATOM 228 O GLN A 16 12.927 40.202 9.303 1.00 0.00 O ATOM 229 CB GLN A 16 14.095 43.016 7.952 1.00 0.00 C ATOM 230 CG GLN A 16 15.331 43.550 7.228 1.00 0.00 C ATOM 231 CD GLN A 16 15.385 45.071 7.327 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.319 45.785 6.235 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 15.486 45.621 8.423 1.00 0.00 N flip ATOM 0 H GLN A 16 13.453 42.387 5.674 1.00 0.00 H new ATOM 0 HA GLN A 16 14.783 40.991 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.221 43.614 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.228 43.095 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.232 43.118 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.307 43.247 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.537 45.059 9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.519 46.639 8.482 1.00 0.00 H new ATOM 242 N LEU A 17 11.512 41.329 7.959 1.00 0.00 N ATOM 243 CA LEU A 17 10.312 40.841 8.619 1.00 0.00 C ATOM 244 C LEU A 17 10.228 39.319 8.529 1.00 0.00 C ATOM 245 O LEU A 17 9.805 38.655 9.476 1.00 0.00 O ATOM 246 CB LEU A 17 9.085 41.470 7.957 1.00 0.00 C ATOM 247 CG LEU A 17 7.809 40.919 8.593 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.750 41.321 10.066 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.596 41.497 7.861 1.00 0.00 C ATOM 0 H LEU A 17 11.336 41.962 7.178 1.00 0.00 H new ATOM 0 HA LEU A 17 10.347 41.119 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.117 42.554 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.089 41.258 6.888 1.00 0.00 H new ATOM 0 HG LEU A 17 7.805 39.832 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.839 40.926 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.617 40.916 10.589 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.752 42.408 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.681 41.108 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.606 42.584 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.635 41.211 6.810 1.00 0.00 H new ATOM 261 N LYS A 18 10.631 38.767 7.385 1.00 0.00 N ATOM 262 CA LYS A 18 10.588 37.320 7.194 1.00 0.00 C ATOM 263 C LYS A 18 11.470 36.616 8.218 1.00 0.00 C ATOM 264 O LYS A 18 11.061 35.621 8.816 1.00 0.00 O ATOM 265 CB LYS A 18 11.060 36.957 5.785 1.00 0.00 C ATOM 266 CG LYS A 18 10.168 37.651 4.755 1.00 0.00 C ATOM 267 CD LYS A 18 10.497 37.136 3.355 1.00 0.00 C ATOM 268 CE LYS A 18 9.728 37.954 2.315 1.00 0.00 C ATOM 269 NZ LYS A 18 9.170 37.040 1.278 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.986 39.293 6.587 1.00 0.00 H new ATOM 0 HA LYS A 18 9.557 36.992 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.098 37.262 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.024 35.877 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.119 37.464 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.317 38.730 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.569 37.210 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.232 36.082 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.923 38.510 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.389 38.687 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.527 37.318 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.461 36.063 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.132 37.100 1.284 1.00 0.00 H new ATOM 283 N GLN A 19 12.681 37.132 8.416 1.00 0.00 N ATOM 284 CA GLN A 19 13.601 36.530 9.371 1.00 0.00 C ATOM 285 C GLN A 19 12.994 36.552 10.766 1.00 0.00 C ATOM 286 O GLN A 19 13.058 35.567 11.498 1.00 0.00 O ATOM 287 CB GLN A 19 14.921 37.303 9.381 1.00 0.00 C ATOM 288 CG GLN A 19 15.946 36.590 8.499 1.00 0.00 C ATOM 289 CD GLN A 19 15.436 36.492 7.067 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.733 37.387 6.594 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.750 35.454 6.342 1.00 0.00 N ATOM 0 H GLN A 19 13.042 37.955 7.934 1.00 0.00 H new ATOM 0 HA GLN A 19 13.787 35.498 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.761 38.319 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.298 37.383 10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.892 37.131 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.142 35.592 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.332 34.714 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.414 35.382 5.382 1.00 0.00 H new ATOM 300 N ASP A 20 12.402 37.685 11.128 1.00 0.00 N ATOM 301 CA ASP A 20 11.789 37.824 12.438 1.00 0.00 C ATOM 302 C ASP A 20 10.692 36.783 12.628 1.00 0.00 C ATOM 303 O ASP A 20 10.585 36.173 13.691 1.00 0.00 O ATOM 304 CB ASP A 20 11.203 39.229 12.576 1.00 0.00 C ATOM 305 CG ASP A 20 12.329 40.259 12.600 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.475 39.850 12.688 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.028 41.438 12.525 1.00 0.00 O ATOM 0 H ASP A 20 12.335 38.513 10.536 1.00 0.00 H new ATOM 0 HA ASP A 20 12.549 37.667 13.204 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.528 39.434 11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.614 39.299 13.491 1.00 0.00 H new ATOM 312 N PHE A 21 9.886 36.572 11.592 1.00 0.00 N ATOM 313 CA PHE A 21 8.814 35.588 11.671 1.00 0.00 C ATOM 314 C PHE A 21 9.407 34.190 11.769 1.00 0.00 C ATOM 315 O PHE A 21 9.028 33.401 12.631 1.00 0.00 O ATOM 316 CB PHE A 21 7.910 35.685 10.442 1.00 0.00 C ATOM 317 CG PHE A 21 6.995 36.887 10.559 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.318 37.953 11.416 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.817 36.936 9.802 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.465 39.059 11.508 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.966 38.044 9.899 1.00 0.00 C ATOM 322 CZ PHE A 21 5.292 39.105 10.750 1.00 0.00 C ATOM 0 H PHE A 21 9.953 37.062 10.700 1.00 0.00 H new ATOM 0 HA PHE A 21 8.216 35.790 12.560 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.517 35.767 9.541 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.317 34.776 10.345 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.224 37.919 12.003 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.565 36.118 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.714 39.878 12.166 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.057 38.079 9.316 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.637 39.960 10.821 1.00 0.00 H new ATOM 332 N ILE A 22 10.364 33.901 10.894 1.00 0.00 N ATOM 333 CA ILE A 22 11.027 32.604 10.912 1.00 0.00 C ATOM 334 C ILE A 22 11.662 32.392 12.278 1.00 0.00 C ATOM 335 O ILE A 22 11.536 31.326 12.879 1.00 0.00 O ATOM 336 CB ILE A 22 12.087 32.533 9.807 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.387 32.604 8.451 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.865 31.218 9.898 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.424 32.692 7.330 1.00 0.00 C ATOM 0 H ILE A 22 10.695 34.540 10.171 1.00 0.00 H new ATOM 0 HA ILE A 22 10.296 31.816 10.728 1.00 0.00 H new ATOM 0 HB ILE A 22 12.783 33.364 9.923 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.761 31.723 8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.729 33.472 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.614 31.183 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.359 31.154 10.868 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.177 30.380 9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.916 32.742 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.032 33.586 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.064 31.810 7.357 1.00 0.00 H new ATOM 351 N SER A 23 12.334 33.425 12.765 1.00 0.00 N ATOM 352 CA SER A 23 12.968 33.351 14.068 1.00 0.00 C ATOM 353 C SER A 23 11.924 32.961 15.104 1.00 0.00 C ATOM 354 O SER A 23 12.172 32.121 15.966 1.00 0.00 O ATOM 355 CB SER A 23 13.578 34.704 14.433 1.00 0.00 C ATOM 356 OG SER A 23 14.301 34.578 15.651 1.00 0.00 O ATOM 0 H SER A 23 12.452 34.315 12.281 1.00 0.00 H new ATOM 0 HA SER A 23 13.762 32.605 14.044 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.240 35.044 13.637 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.794 35.454 14.538 1.00 0.00 H new ATOM 0 HG SER A 23 14.695 35.443 15.889 1.00 0.00 H new ATOM 362 N GLY A 24 10.751 33.572 14.997 1.00 0.00 N ATOM 363 CA GLY A 24 9.662 33.277 15.914 1.00 0.00 C ATOM 364 C GLY A 24 9.285 31.803 15.842 1.00 0.00 C ATOM 365 O GLY A 24 8.881 31.208 16.836 1.00 0.00 O ATOM 0 H GLY A 24 10.532 34.271 14.288 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.957 33.533 16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.796 33.892 15.669 1.00 0.00 H new ATOM 369 N ILE A 25 9.426 31.219 14.657 1.00 0.00 N ATOM 370 CA ILE A 25 9.096 29.810 14.468 1.00 0.00 C ATOM 371 C ILE A 25 10.149 28.912 15.110 1.00 0.00 C ATOM 372 O ILE A 25 9.813 27.931 15.771 1.00 0.00 O ATOM 373 CB ILE A 25 9.004 29.491 12.973 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.973 30.404 12.300 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.595 28.032 12.778 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.735 30.548 13.188 1.00 0.00 C ATOM 0 H ILE A 25 9.763 31.694 13.820 1.00 0.00 H new ATOM 0 HA ILE A 25 8.135 29.621 14.946 1.00 0.00 H new ATOM 0 HB ILE A 25 9.981 29.659 12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.412 31.384 12.113 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.689 29.992 11.332 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.531 27.811 11.712 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.338 27.381 13.240 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.624 27.861 13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.010 31.199 12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.289 29.567 13.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.023 30.981 14.146 1.00 0.00 H new ATOM 388 N LEU A 26 11.421 29.246 14.912 1.00 0.00 N ATOM 389 CA LEU A 26 12.501 28.446 15.483 1.00 0.00 C ATOM 390 C LEU A 26 12.734 28.811 16.952 1.00 0.00 C ATOM 391 O LEU A 26 13.070 27.952 17.767 1.00 0.00 O ATOM 392 CB LEU A 26 13.786 28.633 14.661 1.00 0.00 C ATOM 393 CG LEU A 26 14.734 29.606 15.366 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.423 28.913 16.547 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.794 30.092 14.374 1.00 0.00 C ATOM 0 H LEU A 26 11.727 30.053 14.369 1.00 0.00 H new ATOM 0 HA LEU A 26 12.213 27.395 15.444 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.279 27.671 14.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.539 29.011 13.669 1.00 0.00 H new ATOM 0 HG LEU A 26 14.159 30.454 15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.095 29.616 17.040 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.671 28.571 17.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.995 28.059 16.184 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.470 30.785 14.875 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.360 29.239 14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.307 30.598 13.540 1.00 0.00 H new ATOM 407 N GLU A 27 12.545 30.088 17.284 1.00 0.00 N ATOM 408 CA GLU A 27 12.729 30.546 18.663 1.00 0.00 C ATOM 409 C GLU A 27 11.547 30.136 19.540 1.00 0.00 C ATOM 410 O GLU A 27 11.732 29.668 20.663 1.00 0.00 O ATOM 411 CB GLU A 27 12.889 32.069 18.704 1.00 0.00 C ATOM 412 CG GLU A 27 14.201 32.463 18.026 1.00 0.00 C ATOM 413 CD GLU A 27 14.431 33.963 18.160 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.494 34.656 18.520 1.00 0.00 O ATOM 415 OE2 GLU A 27 15.541 34.397 17.904 1.00 0.00 O1- ATOM 0 H GLU A 27 12.268 30.817 16.627 1.00 0.00 H new ATOM 0 HA GLU A 27 13.633 30.076 19.051 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.049 32.547 18.200 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.882 32.418 19.736 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.030 31.919 18.478 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.173 32.184 16.973 1.00 0.00 H new ATOM 422 N ASN A 28 10.335 30.318 19.022 1.00 0.00 N ATOM 423 CA ASN A 28 9.130 29.971 19.769 1.00 0.00 C ATOM 424 C ASN A 28 8.861 28.469 19.709 1.00 0.00 C ATOM 425 O ASN A 28 9.459 27.747 18.911 1.00 0.00 O ATOM 426 CB ASN A 28 7.925 30.723 19.199 1.00 0.00 C ATOM 427 CG ASN A 28 6.789 30.738 20.215 1.00 0.00 C ATOM 428 OD1 ASN A 28 6.997 30.422 21.386 1.00 0.00 O ATOM 429 ND2 ASN A 28 5.590 31.086 19.833 1.00 0.00 N ATOM 0 H ASN A 28 10.162 30.702 18.093 1.00 0.00 H new ATOM 0 HA ASN A 28 9.285 30.258 20.809 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.210 31.744 18.946 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.592 30.247 18.277 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.823 31.096 20.506 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.420 31.348 18.862 1.00 0.00 H new ATOM 436 N GLU A 29 7.946 28.012 20.554 1.00 0.00 N ATOM 437 CA GLU A 29 7.584 26.601 20.593 1.00 0.00 C ATOM 438 C GLU A 29 7.097 26.142 19.219 1.00 0.00 C ATOM 439 O GLU A 29 7.149 24.956 18.891 1.00 0.00 O ATOM 440 CB GLU A 29 6.476 26.388 21.626 1.00 0.00 C ATOM 441 CG GLU A 29 6.147 24.898 21.726 1.00 0.00 C ATOM 442 CD GLU A 29 7.304 24.153 22.383 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.034 24.778 23.134 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.443 22.968 22.126 1.00 0.00 O1- ATOM 0 H GLU A 29 7.442 28.597 21.221 1.00 0.00 H new ATOM 0 HA GLU A 29 8.462 26.017 20.870 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.793 26.767 22.598 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.586 26.949 21.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.236 24.756 22.307 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.959 24.491 20.733 1.00 0.00 H new ATOM 451 N GLN A 30 6.611 27.098 18.435 1.00 0.00 N ATOM 452 CA GLN A 30 6.091 26.815 17.098 1.00 0.00 C ATOM 453 C GLN A 30 7.106 26.077 16.222 1.00 0.00 C ATOM 454 O GLN A 30 6.749 25.550 15.169 1.00 0.00 O ATOM 455 CB GLN A 30 5.691 28.123 16.415 1.00 0.00 C ATOM 456 CG GLN A 30 4.517 28.751 17.165 1.00 0.00 C ATOM 457 CD GLN A 30 3.305 27.832 17.093 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.937 27.369 16.013 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.658 27.536 18.187 1.00 0.00 N ATOM 0 H GLN A 30 6.565 28.081 18.702 1.00 0.00 H new ATOM 0 HA GLN A 30 5.224 26.166 17.218 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.536 28.811 16.400 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.415 27.934 15.378 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.791 28.926 18.206 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.275 29.721 16.732 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.964 27.921 19.081 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.846 26.920 18.148 1.00 0.00 H new ATOM 468 N LYS A 31 8.368 26.048 16.638 1.00 0.00 N ATOM 469 CA LYS A 31 9.392 25.372 15.843 1.00 0.00 C ATOM 470 C LYS A 31 8.977 23.932 15.549 1.00 0.00 C ATOM 471 O LYS A 31 9.137 23.437 14.427 1.00 0.00 O ATOM 472 CB LYS A 31 10.734 25.395 16.583 1.00 0.00 C ATOM 473 CG LYS A 31 10.664 24.524 17.838 1.00 0.00 C ATOM 474 CD LYS A 31 11.953 24.710 18.644 1.00 0.00 C ATOM 475 CE LYS A 31 11.960 23.762 19.844 1.00 0.00 C ATOM 476 NZ LYS A 31 11.463 22.422 19.426 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.704 26.474 17.502 1.00 0.00 H new ATOM 0 HA LYS A 31 9.502 25.901 14.896 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.525 25.035 15.926 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.988 26.419 16.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.799 24.801 18.441 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.539 23.477 17.563 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.819 24.515 18.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.033 25.742 18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.969 23.677 20.247 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.332 24.162 20.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.760 21.709 20.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.425 22.439 19.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.856 22.181 18.494 1.00 0.00 H new ATOM 490 N ASP A 32 8.421 23.270 16.553 1.00 0.00 N ATOM 491 CA ASP A 32 7.968 21.897 16.381 1.00 0.00 C ATOM 492 C ASP A 32 6.811 21.837 15.388 1.00 0.00 C ATOM 493 O ASP A 32 6.682 20.881 14.624 1.00 0.00 O ATOM 494 CB ASP A 32 7.536 21.314 17.730 1.00 0.00 C ATOM 495 CG ASP A 32 6.408 22.144 18.335 1.00 0.00 C ATOM 496 OD1 ASP A 32 5.886 23.000 17.642 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.088 21.915 19.490 1.00 0.00 O ATOM 0 H ASP A 32 8.274 23.656 17.486 1.00 0.00 H new ATOM 0 HA ASP A 32 8.794 21.305 15.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.207 20.283 17.599 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.386 21.293 18.412 1.00 0.00 H new ATOM 502 N LEU A 33 5.970 22.866 15.404 1.00 0.00 N ATOM 503 CA LEU A 33 4.823 22.922 14.502 1.00 0.00 C ATOM 504 C LEU A 33 5.288 23.039 13.055 1.00 0.00 C ATOM 505 O LEU A 33 4.712 22.427 12.155 1.00 0.00 O ATOM 506 CB LEU A 33 3.945 24.127 14.856 1.00 0.00 C ATOM 507 CG LEU A 33 2.466 23.812 14.599 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.294 23.159 13.225 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.943 22.869 15.688 1.00 0.00 C ATOM 0 H LEU A 33 6.059 23.668 16.027 1.00 0.00 H new ATOM 0 HA LEU A 33 4.247 22.004 14.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.089 24.393 15.903 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.247 24.990 14.263 1.00 0.00 H new ATOM 0 HG LEU A 33 1.898 24.742 14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.240 22.941 13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.653 23.838 12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.867 22.232 13.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.892 22.647 15.503 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.518 21.943 15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.047 23.346 16.663 1.00 0.00 H new ATOM 521 N VAL A 34 6.336 23.826 12.837 1.00 0.00 N ATOM 522 CA VAL A 34 6.864 24.006 11.490 1.00 0.00 C ATOM 523 C VAL A 34 7.318 22.662 10.936 1.00 0.00 C ATOM 524 O VAL A 34 7.082 22.345 9.770 1.00 0.00 O ATOM 525 CB VAL A 34 8.027 25.009 11.497 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.369 24.270 11.435 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.896 25.933 10.282 1.00 0.00 C ATOM 0 H VAL A 34 6.831 24.343 13.564 1.00 0.00 H new ATOM 0 HA VAL A 34 6.078 24.406 10.850 1.00 0.00 H new ATOM 0 HB VAL A 34 7.991 25.593 12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.184 24.994 11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.462 23.612 12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.416 23.678 10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.718 26.649 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.928 25.339 9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.948 26.469 10.333 1.00 0.00 H new ATOM 537 N ALA A 35 7.959 21.867 11.788 1.00 0.00 N ATOM 538 CA ALA A 35 8.430 20.548 11.376 1.00 0.00 C ATOM 539 C ALA A 35 7.251 19.672 10.960 1.00 0.00 C ATOM 540 O ALA A 35 7.337 18.912 9.996 1.00 0.00 O ATOM 541 CB ALA A 35 9.183 19.874 12.523 1.00 0.00 C ATOM 0 H ALA A 35 8.163 22.109 12.758 1.00 0.00 H new ATOM 0 HA ALA A 35 9.103 20.672 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.529 18.891 12.203 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.040 20.486 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.518 19.763 13.380 1.00 0.00 H new ATOM 689 N ASN A 45 11.918 26.092 7.866 1.00 0.00 N ATOM 690 CA ASN A 45 10.681 26.683 8.359 1.00 0.00 C ATOM 691 C ASN A 45 9.701 26.959 7.225 1.00 0.00 C ATOM 692 O ASN A 45 8.884 27.874 7.317 1.00 0.00 O ATOM 693 CB ASN A 45 10.986 27.984 9.100 1.00 0.00 C ATOM 694 CG ASN A 45 11.879 27.697 10.301 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.462 28.614 10.874 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.022 26.470 10.718 1.00 0.00 N ATOM 0 HA ASN A 45 10.219 25.968 9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.478 28.688 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.058 28.452 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.619 26.271 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.537 25.710 10.241 1.00 0.00 H new ATOM 703 N GLN A 46 9.779 26.166 6.164 1.00 0.00 N ATOM 704 CA GLN A 46 8.878 26.339 5.028 1.00 0.00 C ATOM 705 C GLN A 46 9.129 27.676 4.336 1.00 0.00 C ATOM 706 O GLN A 46 8.185 28.374 3.984 1.00 0.00 O ATOM 707 CB GLN A 46 7.427 26.318 5.518 1.00 0.00 C ATOM 708 CG GLN A 46 7.202 25.119 6.435 1.00 0.00 C ATOM 709 CD GLN A 46 6.013 25.392 7.352 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.959 24.878 8.468 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.055 26.183 6.947 1.00 0.00 N ATOM 0 H GLN A 46 10.449 25.404 6.065 1.00 0.00 H new ATOM 0 HA GLN A 46 9.059 25.527 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.201 27.241 6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.748 26.268 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.018 24.224 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.096 24.930 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.102 26.608 6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.260 26.375 7.557 1.00 0.00 H new ATOM 720 N LEU A 47 10.391 28.045 4.163 1.00 0.00 N ATOM 721 CA LEU A 47 10.713 29.325 3.534 1.00 0.00 C ATOM 722 C LEU A 47 9.849 29.594 2.300 1.00 0.00 C ATOM 723 O LEU A 47 9.207 30.639 2.213 1.00 0.00 O ATOM 724 CB LEU A 47 12.191 29.363 3.128 1.00 0.00 C ATOM 725 CG LEU A 47 13.047 29.860 4.297 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.473 29.329 4.139 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.078 31.391 4.293 1.00 0.00 C ATOM 0 H LEU A 47 11.199 27.489 4.443 1.00 0.00 H new ATOM 0 HA LEU A 47 10.507 30.101 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.518 28.368 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.323 30.018 2.267 1.00 0.00 H new ATOM 0 HG LEU A 47 12.622 29.505 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.086 29.680 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.457 28.239 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.893 29.689 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.687 31.745 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.505 31.744 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.063 31.776 4.397 1.00 0.00 H new ATOM 739 N ASP A 48 9.864 28.676 1.339 1.00 0.00 N ATOM 740 CA ASP A 48 9.106 28.868 0.100 1.00 0.00 C ATOM 741 C ASP A 48 7.610 29.038 0.361 1.00 0.00 C ATOM 742 O ASP A 48 7.013 30.022 -0.077 1.00 0.00 O ATOM 743 CB ASP A 48 9.327 27.677 -0.830 1.00 0.00 C ATOM 744 CG ASP A 48 8.922 28.046 -2.254 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.619 29.207 -2.480 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.924 27.165 -3.097 1.00 0.00 O1- ATOM 0 H ASP A 48 10.385 27.800 1.389 1.00 0.00 H new ATOM 0 HA ASP A 48 9.469 29.784 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.375 27.376 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.743 26.823 -0.486 1.00 0.00 H new ATOM 751 N LEU A 49 7.007 28.093 1.076 1.00 0.00 N ATOM 752 CA LEU A 49 5.582 28.188 1.376 1.00 0.00 C ATOM 753 C LEU A 49 5.330 29.355 2.320 1.00 0.00 C ATOM 754 O LEU A 49 4.342 30.077 2.188 1.00 0.00 O ATOM 755 CB LEU A 49 5.081 26.886 2.006 1.00 0.00 C ATOM 756 CG LEU A 49 4.886 25.834 0.915 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.239 25.477 0.300 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.256 24.577 1.522 1.00 0.00 C ATOM 0 H LEU A 49 7.472 27.267 1.453 1.00 0.00 H new ATOM 0 HA LEU A 49 5.038 28.356 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.797 26.529 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.141 27.061 2.530 1.00 0.00 H new ATOM 0 HG LEU A 49 4.229 26.233 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.098 24.727 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.688 26.370 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.897 25.079 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.117 23.827 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.912 24.179 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.290 24.829 1.959 1.00 0.00 H new ATOM 770 N LEU A 50 6.233 29.525 3.277 1.00 0.00 N ATOM 771 CA LEU A 50 6.108 30.602 4.248 1.00 0.00 C ATOM 772 C LEU A 50 6.105 31.946 3.532 1.00 0.00 C ATOM 773 O LEU A 50 5.284 32.810 3.832 1.00 0.00 O ATOM 774 CB LEU A 50 7.282 30.551 5.234 1.00 0.00 C ATOM 775 CG LEU A 50 7.050 31.518 6.403 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.133 31.296 7.454 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.132 32.966 5.920 1.00 0.00 C ATOM 0 H LEU A 50 7.055 28.934 3.401 1.00 0.00 H new ATOM 0 HA LEU A 50 5.172 30.481 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.401 29.536 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.207 30.810 4.719 1.00 0.00 H new ATOM 0 HG LEU A 50 6.061 31.333 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.976 31.979 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.086 30.268 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.112 31.482 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.965 33.640 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.118 33.153 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.371 33.139 5.159 1.00 0.00 H new ATOM 789 N HIS A 51 7.031 32.127 2.587 1.00 0.00 N ATOM 790 CA HIS A 51 7.115 33.382 1.857 1.00 0.00 C ATOM 791 C HIS A 51 5.792 33.694 1.177 1.00 0.00 C ATOM 792 O HIS A 51 5.278 34.809 1.280 1.00 0.00 O ATOM 793 CB HIS A 51 8.223 33.286 0.803 1.00 0.00 C ATOM 794 CG HIS A 51 9.562 33.194 1.481 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.919 34.039 2.514 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.650 32.378 1.271 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.174 33.722 2.885 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.664 32.716 2.160 1.00 0.00 N ATOM 0 H HIS A 51 7.722 31.427 2.316 1.00 0.00 H new ATOM 0 HA HIS A 51 7.343 34.183 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.063 32.411 0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.194 34.159 0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.337 34.771 2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.707 31.595 0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.717 34.222 3.673 1.00 0.00 H new ATOM 807 N LYS A 52 5.247 32.708 0.476 1.00 0.00 N ATOM 808 CA LYS A 52 3.983 32.900 -0.221 1.00 0.00 C ATOM 809 C LYS A 52 2.877 33.245 0.774 1.00 0.00 C ATOM 810 O LYS A 52 2.110 34.183 0.557 1.00 0.00 O ATOM 811 CB LYS A 52 3.625 31.636 -1.002 1.00 0.00 C ATOM 812 CG LYS A 52 4.697 31.391 -2.067 1.00 0.00 C ATOM 813 CD LYS A 52 4.225 30.321 -3.053 1.00 0.00 C ATOM 814 CE LYS A 52 4.223 28.954 -2.368 1.00 0.00 C ATOM 815 NZ LYS A 52 3.102 28.878 -1.393 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.655 31.778 0.376 1.00 0.00 H new ATOM 0 HA LYS A 52 4.085 33.729 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.561 30.782 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.647 31.746 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.910 32.318 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.626 31.075 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.224 30.560 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.880 30.301 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.123 28.164 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.172 28.792 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.733 27.906 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.445 29.147 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.344 29.528 -1.684 1.00 0.00 H new ATOM 829 N TRP A 53 2.813 32.496 1.871 1.00 0.00 N ATOM 830 CA TRP A 53 1.810 32.743 2.902 1.00 0.00 C ATOM 831 C TRP A 53 1.914 34.191 3.375 1.00 0.00 C ATOM 832 O TRP A 53 0.925 34.922 3.432 1.00 0.00 O ATOM 833 CB TRP A 53 2.083 31.799 4.080 1.00 0.00 C ATOM 834 CG TRP A 53 0.922 31.755 5.024 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.115 30.890 4.935 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.674 32.567 6.211 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.985 31.121 5.985 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.543 32.144 6.800 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.375 33.619 6.827 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.042 32.740 7.958 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.873 34.222 7.993 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.334 33.782 8.557 1.00 0.00 C ATOM 0 H TRP A 53 3.441 31.717 2.069 1.00 0.00 H new ATOM 0 HA TRP A 53 0.810 32.568 2.504 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.287 30.796 3.705 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.975 32.128 4.613 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.243 30.140 4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.848 30.599 6.139 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.305 33.966 6.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.971 32.397 8.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.420 35.029 8.458 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.714 34.249 9.453 1.00 0.00 H new ATOM 853 N LEU A 54 3.132 34.576 3.726 1.00 0.00 N ATOM 854 CA LEU A 54 3.394 35.922 4.219 1.00 0.00 C ATOM 855 C LEU A 54 2.951 36.970 3.200 1.00 0.00 C ATOM 856 O LEU A 54 2.197 37.888 3.526 1.00 0.00 O ATOM 857 CB LEU A 54 4.894 36.085 4.493 1.00 0.00 C ATOM 858 CG LEU A 54 5.135 37.320 5.361 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.657 37.038 6.786 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.632 37.640 5.385 1.00 0.00 C ATOM 0 H LEU A 54 3.955 33.976 3.679 1.00 0.00 H new ATOM 0 HA LEU A 54 2.828 36.068 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.279 35.197 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.436 36.180 3.552 1.00 0.00 H new ATOM 0 HG LEU A 54 4.586 38.167 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.828 37.917 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.593 36.804 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.210 36.192 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.806 38.520 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.179 36.792 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.979 37.835 4.370 1.00 0.00 H new ATOM 872 N ASP A 55 3.431 36.828 1.967 1.00 0.00 N ATOM 873 CA ASP A 55 3.100 37.776 0.905 1.00 0.00 C ATOM 874 C ASP A 55 1.593 37.944 0.734 1.00 0.00 C ATOM 875 O ASP A 55 1.101 39.063 0.590 1.00 0.00 O ATOM 876 CB ASP A 55 3.701 37.297 -0.418 1.00 0.00 C ATOM 877 CG ASP A 55 5.224 37.347 -0.350 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.736 37.968 0.568 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.857 36.763 -1.213 1.00 0.00 O1- ATOM 0 H ASP A 55 4.048 36.069 1.679 1.00 0.00 H new ATOM 0 HA ASP A 55 3.518 38.742 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.372 36.280 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.345 37.923 -1.236 1.00 0.00 H new ATOM 884 N ARG A 56 0.864 36.835 0.734 1.00 0.00 N ATOM 885 CA ARG A 56 -0.582 36.892 0.558 1.00 0.00 C ATOM 886 C ARG A 56 -1.271 37.596 1.725 1.00 0.00 C ATOM 887 O ARG A 56 -2.305 38.238 1.543 1.00 0.00 O ATOM 888 CB ARG A 56 -1.149 35.484 0.397 1.00 0.00 C ATOM 889 CG ARG A 56 -2.646 35.577 0.101 1.00 0.00 C ATOM 890 CD ARG A 56 -3.167 34.201 -0.313 1.00 0.00 C ATOM 891 NE ARG A 56 -2.948 33.236 0.758 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.610 31.977 0.492 1.00 0.00 C ATOM 893 NH1 ARG A 56 -2.492 31.579 -0.746 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.396 31.138 1.469 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.244 35.896 0.852 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.778 37.471 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.638 34.963 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.981 34.905 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.181 35.931 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.827 36.301 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.230 34.262 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.660 33.870 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.056 33.531 1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.659 32.234 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.233 30.614 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.488 31.448 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.137 30.173 1.265 1.00 0.00 H new ATOM 908 N HIS A 57 -0.704 37.474 2.923 1.00 0.00 N ATOM 909 CA HIS A 57 -1.295 38.108 4.098 1.00 0.00 C ATOM 910 C HIS A 57 -0.421 39.263 4.575 1.00 0.00 C ATOM 911 O HIS A 57 -0.562 39.730 5.702 1.00 0.00 O ATOM 912 CB HIS A 57 -1.458 37.096 5.235 1.00 0.00 C ATOM 913 CG HIS A 57 -2.441 36.020 4.847 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.010 35.948 3.584 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.967 34.967 5.555 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.835 34.883 3.571 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.846 34.250 4.747 1.00 0.00 N ATOM 0 H HIS A 57 0.152 36.950 3.105 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.277 38.489 3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.493 36.647 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.803 37.604 6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.734 34.731 6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.417 34.578 2.714 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.383 33.420 4.999 1.00 0.00 H new ATOM 926 N ARG A 58 0.477 39.720 3.709 1.00 0.00 N ATOM 927 CA ARG A 58 1.362 40.824 4.053 1.00 0.00 C ATOM 928 C ARG A 58 0.565 42.023 4.556 1.00 0.00 C ATOM 929 O ARG A 58 1.008 42.752 5.442 1.00 0.00 O ATOM 930 CB ARG A 58 2.173 41.222 2.826 1.00 0.00 C ATOM 931 CG ARG A 58 1.229 41.708 1.730 1.00 0.00 C ATOM 932 CD ARG A 58 2.021 41.872 0.436 1.00 0.00 C ATOM 933 NE ARG A 58 3.170 42.742 0.667 1.00 0.00 N ATOM 934 CZ ARG A 58 3.065 44.059 0.551 1.00 0.00 C ATOM 935 NH1 ARG A 58 1.935 44.595 0.174 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.095 44.816 0.807 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.610 39.345 2.770 1.00 0.00 H new ATOM 0 HA ARG A 58 2.032 40.500 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.883 42.008 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.755 40.372 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.417 40.995 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.774 42.656 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.356 40.899 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.383 42.295 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 58 4.068 42.331 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.132 44.001 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.856 45.608 0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.978 44.395 1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.018 45.829 0.719 1.00 0.00 H new ATOM 950 N ASP A 59 -0.618 42.214 3.985 1.00 0.00 N ATOM 951 CA ASP A 59 -1.480 43.321 4.382 1.00 0.00 C ATOM 952 C ASP A 59 -1.799 43.229 5.871 1.00 0.00 C ATOM 953 O ASP A 59 -2.084 44.233 6.523 1.00 0.00 O ATOM 954 CB ASP A 59 -2.778 43.300 3.570 1.00 0.00 C ATOM 955 CG ASP A 59 -2.494 43.690 2.124 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.382 44.109 1.851 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.394 43.563 1.310 1.00 0.00 O ATOM 0 H ASP A 59 -1.001 41.620 3.249 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.957 44.257 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.224 42.306 3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.501 43.989 4.006 1.00 0.00 H new ATOM 962 N MET A 60 -1.756 42.008 6.393 1.00 0.00 N ATOM 963 CA MET A 60 -2.047 41.755 7.800 1.00 0.00 C ATOM 964 C MET A 60 -1.153 42.578 8.725 1.00 0.00 C ATOM 965 O MET A 60 -1.557 42.931 9.829 1.00 0.00 O ATOM 966 CB MET A 60 -1.843 40.268 8.095 1.00 0.00 C ATOM 967 CG MET A 60 -0.344 39.969 8.207 1.00 0.00 C ATOM 968 SD MET A 60 0.202 40.236 9.911 1.00 0.00 S ATOM 969 CE MET A 60 1.979 40.254 9.569 1.00 0.00 C ATOM 0 H MET A 60 -1.521 41.172 5.858 1.00 0.00 H new ATOM 0 HA MET A 60 -3.080 42.047 7.987 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.349 39.998 9.022 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.287 39.665 7.303 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.145 38.940 7.908 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.217 40.613 7.529 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.457 39.421 10.084 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.144 40.160 8.496 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.408 41.192 9.921 1.00 0.00 H new ATOM 979 N CYS A 61 0.061 42.872 8.276 1.00 0.00 N ATOM 980 CA CYS A 61 1.004 43.637 9.088 1.00 0.00 C ATOM 981 C CYS A 61 0.483 45.043 9.372 1.00 0.00 C ATOM 982 O CYS A 61 0.837 45.651 10.382 1.00 0.00 O ATOM 983 CB CYS A 61 2.354 43.736 8.373 1.00 0.00 C ATOM 984 SG CYS A 61 2.151 44.652 6.826 1.00 0.00 S ATOM 0 H CYS A 61 0.416 42.595 7.361 1.00 0.00 H new ATOM 0 HA CYS A 61 1.123 43.113 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.080 44.238 9.012 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.744 42.739 8.169 1.00 0.00 H new ATOM 0 HG CYS A 61 1.505 43.918 5.969 1.00 0.00 H new ATOM 990 N GLU A 62 -0.337 45.562 8.470 1.00 0.00 N ATOM 991 CA GLU A 62 -0.875 46.908 8.629 1.00 0.00 C ATOM 992 C GLU A 62 -1.933 46.966 9.730 1.00 0.00 C ATOM 993 O GLU A 62 -2.327 48.052 10.158 1.00 0.00 O ATOM 994 CB GLU A 62 -1.489 47.379 7.308 1.00 0.00 C ATOM 995 CG GLU A 62 -0.399 47.443 6.234 1.00 0.00 C ATOM 996 CD GLU A 62 -0.978 47.995 4.936 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.159 48.301 4.921 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.231 48.104 3.979 1.00 0.00 O ATOM 0 H GLU A 62 -0.643 45.077 7.626 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.052 47.564 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.280 46.696 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.946 48.360 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.421 48.075 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.014 46.449 6.064 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.404 45.806 10.182 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.427 45.759 11.223 1.00 0.00 C ATOM 1007 C LYS A 63 -2.810 45.805 12.621 1.00 0.00 C ATOM 1008 O LYS A 63 -3.466 45.459 13.604 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.253 44.480 11.075 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.970 44.495 9.724 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.868 43.264 9.601 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.326 43.119 8.148 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.135 43.138 7.252 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.096 44.893 9.847 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.065 46.635 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.606 43.605 11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.979 44.407 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.566 45.402 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.240 44.506 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.327 42.371 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.731 43.362 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.877 42.187 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.005 43.930 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.212 43.935 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.273 43.245 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.088 42.247 6.718 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.563 46.260 12.717 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.913 46.365 14.023 1.00 0.00 C ATOM 1029 C TRP A 64 0.442 47.064 13.933 1.00 0.00 C ATOM 1030 O TRP A 64 0.852 47.755 14.866 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.735 44.982 14.653 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.907 43.921 13.618 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.116 43.770 12.534 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.904 42.859 13.550 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.558 42.682 11.806 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.662 42.090 12.387 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.986 42.493 14.372 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.463 40.997 12.053 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.795 41.393 14.039 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.533 40.648 12.880 1.00 0.00 C ATOM 0 H TRP A 64 -0.992 46.556 11.926 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.565 46.969 14.653 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.254 44.904 15.104 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.462 44.842 15.453 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.725 44.397 12.278 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.122 42.356 10.944 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.196 43.062 15.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.257 40.425 11.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.622 41.120 14.678 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.158 39.805 12.627 1.00 0.00 H new ATOM 1051 N LYS A 65 1.149 46.866 12.825 1.00 0.00 N ATOM 1052 CA LYS A 65 2.467 47.471 12.660 1.00 0.00 C ATOM 1053 C LYS A 65 3.370 47.056 13.823 1.00 0.00 C ATOM 1054 O LYS A 65 4.515 47.494 13.928 1.00 0.00 O ATOM 1055 CB LYS A 65 2.346 48.997 12.614 1.00 0.00 C ATOM 1056 CG LYS A 65 3.645 49.609 12.077 1.00 0.00 C ATOM 1057 CD LYS A 65 3.541 51.137 12.114 1.00 0.00 C ATOM 1058 CE LYS A 65 4.592 51.751 11.185 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.906 51.085 11.403 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.837 46.299 12.037 1.00 0.00 H new ATOM 0 HA LYS A 65 2.903 47.126 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.509 49.285 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.137 49.384 13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.492 49.277 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.825 49.270 11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.543 51.450 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.688 51.496 13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.284 51.637 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.680 52.821 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.667 51.689 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.052 50.930 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.918 50.170 10.909 1.00 0.00 H new ATOM 1073 N SER A 66 2.839 46.200 14.692 1.00 0.00 N ATOM 1074 CA SER A 66 3.590 45.715 15.849 1.00 0.00 C ATOM 1075 C SER A 66 4.487 44.546 15.456 1.00 0.00 C ATOM 1076 O SER A 66 4.482 44.112 14.309 1.00 0.00 O ATOM 1077 CB SER A 66 2.623 45.263 16.937 1.00 0.00 C ATOM 1078 OG SER A 66 1.834 44.195 16.435 1.00 0.00 O ATOM 0 H SER A 66 1.892 45.827 14.618 1.00 0.00 H new ATOM 0 HA SER A 66 4.213 46.528 16.222 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.174 44.942 17.821 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.985 46.092 17.243 1.00 0.00 H new ATOM 0 HG SER A 66 0.944 44.225 16.845 1.00 0.00 H new ATOM 1084 N LYS A 67 5.261 44.044 16.412 1.00 0.00 N ATOM 1085 CA LYS A 67 6.153 42.926 16.134 1.00 0.00 C ATOM 1086 C LYS A 67 5.767 41.678 16.926 1.00 0.00 C ATOM 1087 O LYS A 67 5.328 40.682 16.354 1.00 0.00 O ATOM 1088 CB LYS A 67 7.596 43.301 16.461 1.00 0.00 C ATOM 1089 CG LYS A 67 8.487 42.093 16.181 1.00 0.00 C ATOM 1090 CD LYS A 67 9.947 42.438 16.478 1.00 0.00 C ATOM 1091 CE LYS A 67 10.814 41.197 16.243 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.227 41.501 16.603 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.289 44.387 17.372 1.00 0.00 H new ATOM 0 HA LYS A 67 6.060 42.700 15.072 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.912 44.152 15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.682 43.601 17.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.172 41.249 16.795 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.382 41.787 15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.278 43.255 15.837 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.051 42.779 17.508 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.446 40.365 16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.752 40.890 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.815 40.658 16.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.575 42.283 16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.279 41.774 17.605 1.00 0.00 H new ATOM 1106 N GLU A 68 5.951 41.734 18.242 1.00 0.00 N ATOM 1107 CA GLU A 68 5.641 40.591 19.098 1.00 0.00 C ATOM 1108 C GLU A 68 4.166 40.222 19.010 1.00 0.00 C ATOM 1109 O GLU A 68 3.811 39.042 18.984 1.00 0.00 O ATOM 1110 CB GLU A 68 5.991 40.919 20.552 1.00 0.00 C ATOM 1111 CG GLU A 68 7.509 40.996 20.717 1.00 0.00 C ATOM 1112 CD GLU A 68 8.130 39.630 20.444 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.385 38.666 20.374 1.00 0.00 O ATOM 1114 OE2 GLU A 68 9.340 39.566 20.318 1.00 0.00 O1- ATOM 0 H GLU A 68 6.310 42.551 18.736 1.00 0.00 H new ATOM 0 HA GLU A 68 6.234 39.744 18.754 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.537 41.867 20.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.583 40.156 21.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.921 41.736 20.031 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.758 41.323 21.726 1.00 0.00 H new ATOM 1121 N ASP A 69 3.306 41.228 18.960 1.00 0.00 N ATOM 1122 CA ASP A 69 1.875 40.971 18.876 1.00 0.00 C ATOM 1123 C ASP A 69 1.547 40.217 17.588 1.00 0.00 C ATOM 1124 O ASP A 69 0.769 39.258 17.591 1.00 0.00 O ATOM 1125 CB ASP A 69 1.098 42.289 18.922 1.00 0.00 C ATOM 1126 CG ASP A 69 1.296 42.970 20.273 1.00 0.00 C ATOM 1127 OD1 ASP A 69 2.031 42.432 21.084 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.704 44.018 20.478 1.00 0.00 O1- ATOM 0 H ASP A 69 3.567 42.214 18.976 1.00 0.00 H new ATOM 0 HA ASP A 69 1.581 40.357 19.728 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.436 42.947 18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.038 42.101 18.753 1.00 0.00 H new ATOM 1133 N ILE A 70 2.147 40.653 16.485 1.00 0.00 N ATOM 1134 CA ILE A 70 1.906 40.007 15.198 1.00 0.00 C ATOM 1135 C ILE A 70 2.359 38.546 15.230 1.00 0.00 C ATOM 1136 O ILE A 70 1.677 37.667 14.703 1.00 0.00 O ATOM 1137 CB ILE A 70 2.648 40.741 14.078 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.218 42.213 14.053 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.309 40.077 12.737 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.857 42.922 12.853 1.00 0.00 C ATOM 0 H ILE A 70 2.795 41.440 16.454 1.00 0.00 H new ATOM 0 HA ILE A 70 0.834 40.044 15.004 1.00 0.00 H new ATOM 0 HB ILE A 70 3.723 40.689 14.251 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.132 42.283 13.992 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.517 42.704 14.979 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.833 40.593 11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.618 39.032 12.760 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.234 40.133 12.564 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.548 43.967 12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.943 42.866 12.933 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.536 42.438 11.931 1.00 0.00 H new ATOM 1152 N LEU A 71 3.514 38.292 15.848 1.00 0.00 N ATOM 1153 CA LEU A 71 4.033 36.931 15.936 1.00 0.00 C ATOM 1154 C LEU A 71 3.012 36.017 16.595 1.00 0.00 C ATOM 1155 O LEU A 71 2.823 34.873 16.183 1.00 0.00 O ATOM 1156 CB LEU A 71 5.319 36.903 16.763 1.00 0.00 C ATOM 1157 CG LEU A 71 6.435 37.661 16.044 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.745 37.468 16.811 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.597 37.118 14.620 1.00 0.00 C ATOM 0 H LEU A 71 4.099 39.002 16.289 1.00 0.00 H new ATOM 0 HA LEU A 71 4.239 36.584 14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.139 37.350 17.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.625 35.871 16.936 1.00 0.00 H new ATOM 0 HG LEU A 71 6.183 38.721 15.998 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.546 38.006 16.304 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.634 37.854 17.824 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.990 36.407 16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.394 37.661 14.112 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.850 36.058 14.661 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.663 37.247 14.073 1.00 0.00 H new ATOM 1171 N HIS A 72 2.357 36.538 17.620 1.00 0.00 N ATOM 1172 CA HIS A 72 1.347 35.775 18.340 1.00 0.00 C ATOM 1173 C HIS A 72 0.209 35.392 17.401 1.00 0.00 C ATOM 1174 O HIS A 72 -0.270 34.254 17.406 1.00 0.00 O ATOM 1175 CB HIS A 72 0.810 36.625 19.499 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.211 35.848 20.284 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.486 36.338 20.521 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.157 34.625 20.904 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.141 35.422 21.255 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.379 34.359 21.518 1.00 0.00 N ATOM 0 H HIS A 72 2.505 37.484 17.972 1.00 0.00 H new ATOM 0 HA HIS A 72 1.793 34.861 18.733 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.631 36.923 20.151 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.362 37.540 19.111 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.701 33.969 20.914 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.161 35.533 21.591 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.636 33.530 22.054 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.219 36.354 16.594 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.308 36.114 15.652 1.00 0.00 C ATOM 1191 C LYS A 73 -0.948 35.014 14.654 1.00 0.00 C ATOM 1192 O LYS A 73 -1.708 34.063 14.469 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.640 37.406 14.907 1.00 0.00 C ATOM 1194 CG LYS A 73 -1.952 38.510 15.922 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.111 38.069 16.820 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.708 39.289 17.524 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.532 38.839 18.682 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.165 37.299 16.571 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.180 35.783 16.217 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.801 37.702 14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.494 37.250 14.248 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.070 38.722 16.527 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.212 39.433 15.403 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.876 37.570 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.759 37.347 17.557 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.912 39.951 17.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.321 39.861 16.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.939 39.667 19.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.299 38.224 18.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.934 38.312 19.350 1.00 0.00 H new ATOM 1211 N LEU A 74 0.199 35.147 14.000 1.00 0.00 N ATOM 1212 CA LEU A 74 0.608 34.147 13.018 1.00 0.00 C ATOM 1213 C LEU A 74 0.704 32.762 13.648 1.00 0.00 C ATOM 1214 O LEU A 74 0.336 31.768 13.023 1.00 0.00 O ATOM 1215 CB LEU A 74 1.946 34.525 12.379 1.00 0.00 C ATOM 1216 CG LEU A 74 1.716 35.543 11.259 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.482 36.936 11.847 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.945 35.574 10.349 1.00 0.00 C ATOM 0 H LEU A 74 0.852 35.920 14.126 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.156 34.120 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.614 34.944 13.132 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.433 33.635 11.980 1.00 0.00 H new ATOM 0 HG LEU A 74 0.836 35.251 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.320 37.649 11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.605 36.915 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.354 37.237 12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.787 36.297 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.821 35.861 10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.104 34.585 9.918 1.00 0.00 H new ATOM 1230 N ASN A 75 1.179 32.688 14.886 1.00 0.00 N ATOM 1231 CA ASN A 75 1.282 31.396 15.554 1.00 0.00 C ATOM 1232 C ASN A 75 -0.092 30.729 15.583 1.00 0.00 C ATOM 1233 O ASN A 75 -0.224 29.534 15.320 1.00 0.00 O ATOM 1234 CB ASN A 75 1.798 31.578 16.984 1.00 0.00 C ATOM 1235 CG ASN A 75 3.222 32.126 16.967 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.912 32.038 15.952 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.706 32.689 18.042 1.00 0.00 N ATOM 0 H ASN A 75 1.492 33.487 15.437 1.00 0.00 H new ATOM 0 HA ASN A 75 1.983 30.767 15.006 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.145 32.259 17.530 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.774 30.624 17.511 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.657 33.057 18.041 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.132 32.761 18.882 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.111 31.524 15.899 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.488 31.027 15.955 1.00 0.00 C ATOM 1246 C GLU A 76 -2.963 30.558 14.577 1.00 0.00 C ATOM 1247 O GLU A 76 -3.627 29.525 14.447 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.398 32.151 16.459 1.00 0.00 C ATOM 1249 CG GLU A 76 -4.870 31.725 16.411 1.00 0.00 C ATOM 1250 CD GLU A 76 -5.158 30.686 17.488 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.285 30.451 18.306 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -6.254 30.152 17.486 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.012 32.515 16.120 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.527 30.174 16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.125 32.415 17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.253 33.043 15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.512 32.594 16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.105 31.315 15.429 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.612 31.317 13.547 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.006 30.961 12.192 1.00 0.00 C ATOM 1261 C GLN A 77 -2.250 29.719 11.751 1.00 0.00 C ATOM 1262 O GLN A 77 -2.795 28.844 11.077 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.695 32.114 11.242 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.336 33.398 11.768 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.805 33.466 11.359 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.430 32.379 10.995 1.00 0.00 O flip ATOM 1267 NE2 GLN A 77 -5.402 34.544 11.374 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.062 32.173 13.622 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.077 30.760 12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.616 32.244 11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.073 31.889 10.245 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.252 33.435 12.854 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.803 34.265 11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.914 35.393 11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.384 34.587 11.102 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.987 29.644 12.149 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.162 28.499 11.806 1.00 0.00 C ATOM 1278 C TRP A 78 -0.858 27.220 12.258 1.00 0.00 C ATOM 1279 O TRP A 78 -0.880 26.223 11.537 1.00 0.00 O ATOM 1280 CB TRP A 78 1.199 28.619 12.491 1.00 0.00 C ATOM 1281 CG TRP A 78 2.263 28.084 11.591 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.412 26.785 11.257 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.326 28.808 10.909 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.500 26.661 10.415 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.099 27.882 10.170 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.692 30.166 10.863 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.195 28.289 9.410 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.797 30.578 10.101 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.546 29.641 9.377 1.00 0.00 C ATOM 0 H TRP A 78 -0.516 30.358 12.705 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.014 28.468 10.726 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.404 29.662 12.733 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.194 28.068 13.432 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.783 25.974 11.593 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.822 25.776 10.022 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.120 30.895 11.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.768 27.564 8.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.071 31.622 10.073 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.395 29.964 8.793 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.438 27.267 13.458 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.149 26.112 13.996 1.00 0.00 C ATOM 1302 C ASN A 79 -3.357 25.782 13.125 1.00 0.00 C ATOM 1303 O ASN A 79 -3.640 24.615 12.852 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.624 26.398 15.423 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.432 26.557 16.358 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.290 26.343 15.954 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.635 26.915 17.596 1.00 0.00 N ATOM 0 H ASN A 79 -1.429 28.084 14.068 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.465 25.264 14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.229 27.305 15.437 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.261 25.585 15.771 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.845 27.018 18.233 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.584 27.091 17.927 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.066 26.823 12.696 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.252 26.638 11.857 1.00 0.00 C ATOM 1316 C LYS A 80 -4.879 26.445 10.388 1.00 0.00 C ATOM 1317 O LYS A 80 -5.753 26.255 9.543 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.191 27.841 11.995 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.060 27.669 13.245 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.206 26.696 12.941 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.339 26.899 13.949 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.127 28.109 13.574 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.845 27.795 12.911 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.759 25.736 12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.612 28.762 12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.821 27.928 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.457 27.291 14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.461 28.633 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.574 26.859 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.845 25.669 12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.986 26.022 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.931 27.015 14.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.023 28.117 14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.581 28.964 13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.327 28.090 12.554 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.587 26.490 10.084 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.138 26.310 8.705 1.00 0.00 C ATOM 1338 C ASP A 81 -2.368 25.003 8.555 1.00 0.00 C ATOM 1339 O ASP A 81 -2.980 24.016 8.184 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.252 27.479 8.282 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.748 27.262 6.859 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.166 26.294 6.243 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -0.950 28.066 6.404 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -1.174 25.011 8.810 1.00 0.00 O ATOM 0 H ASP A 81 -2.840 26.647 10.761 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.018 26.274 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.814 28.411 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.408 27.573 8.965 1.00 0.00 H new