USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00105) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0213 USER MOD Set 2.2: A 24 THR OG1 : rot -109:sc= 0.0258 USER MOD Set 3.1: A 11 MET CE :methyl 165:sc= -0.0653 (180deg=-0.472) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.345 X(o=-0.41,f=-0.072) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 101:sc= 0.845 USER MOD Single : A 8 LYS NZ :NH3+ 141:sc= 0.236 (180deg=-0.257) USER MOD Single : A 9 THR OG1 : rot 42:sc= 0.36 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0525) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -96:sc= 0.525 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -172:sc= -0.539 (180deg=-0.813) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00657 (180deg=-0.133) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 0:sc= -0.015 USER MOD Single : A 63 ASN : amide:sc= -0.812 K(o=-0.81,f=-1.4) USER MOD Single : A 64 GLN : amide:sc= -3.05 K(o=-3,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.111 (180deg=-0.111) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.41! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.572 15.438 10.032 1.00 0.00 N ATOM 2 CA SER A 1 -0.101 14.598 9.005 1.00 0.00 C ATOM 3 C SER A 1 0.877 14.195 7.905 1.00 0.00 C ATOM 4 O SER A 1 1.320 15.034 7.118 1.00 0.00 O ATOM 5 CB SER A 1 -1.289 15.350 8.396 1.00 0.00 C ATOM 6 OG SER A 1 -2.271 15.637 9.377 1.00 0.00 O ATOM 0 H1 SER A 1 -0.113 15.700 10.770 1.00 0.00 H new ATOM 0 H2 SER A 1 1.354 14.903 10.460 1.00 0.00 H new ATOM 0 H3 SER A 1 0.946 16.300 9.585 1.00 0.00 H new ATOM 0 HA SER A 1 -0.464 13.694 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.941 16.278 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.731 14.752 7.599 1.00 0.00 H new ATOM 0 HG SER A 1 -3.017 16.119 8.962 1.00 0.00 H new ATOM 14 N ASP A 2 1.203 12.903 7.857 1.00 0.00 N ATOM 15 CA ASP A 2 2.132 12.370 6.861 1.00 0.00 C ATOM 16 C ASP A 2 1.877 10.881 6.627 1.00 0.00 C ATOM 17 O ASP A 2 1.135 10.245 7.377 1.00 0.00 O ATOM 18 CB ASP A 2 3.582 12.582 7.311 1.00 0.00 C ATOM 19 CG ASP A 2 4.035 14.023 7.164 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.326 14.441 6.023 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.095 14.734 8.190 1.00 0.00 O ATOM 0 H ASP A 2 0.835 12.203 8.501 1.00 0.00 H new ATOM 0 HA ASP A 2 1.968 12.906 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.683 12.278 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.238 11.938 6.726 1.00 0.00 H new ATOM 26 N VAL A 3 2.492 10.331 5.580 1.00 0.00 N ATOM 27 CA VAL A 3 2.335 8.916 5.255 1.00 0.00 C ATOM 28 C VAL A 3 2.934 8.026 6.345 1.00 0.00 C ATOM 29 O VAL A 3 2.393 6.962 6.647 1.00 0.00 O ATOM 30 CB VAL A 3 2.981 8.565 3.893 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.499 8.680 3.955 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.565 7.172 3.444 1.00 0.00 C ATOM 0 H VAL A 3 3.102 10.844 4.944 1.00 0.00 H new ATOM 0 HA VAL A 3 1.263 8.729 5.190 1.00 0.00 H new ATOM 0 HB VAL A 3 2.622 9.285 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.923 8.427 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.776 9.701 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.885 7.994 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.030 6.945 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.886 6.440 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.481 7.132 3.340 1.00 0.00 H new ATOM 42 N TRP A 4 4.048 8.467 6.936 1.00 0.00 N ATOM 43 CA TRP A 4 4.707 7.701 7.990 1.00 0.00 C ATOM 44 C TRP A 4 4.045 7.966 9.342 1.00 0.00 C ATOM 45 O TRP A 4 3.818 7.034 10.117 1.00 0.00 O ATOM 46 CB TRP A 4 6.198 8.045 8.055 1.00 0.00 C ATOM 47 CG TRP A 4 7.078 6.858 8.295 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.986 5.958 9.318 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.193 6.445 7.497 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.971 5.008 9.200 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.726 5.286 8.091 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.789 6.943 6.335 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.827 4.618 7.563 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.882 6.280 5.812 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.391 5.128 6.425 1.00 0.00 C ATOM 0 H TRP A 4 4.508 9.347 6.702 1.00 0.00 H new ATOM 0 HA TRP A 4 4.605 6.642 7.755 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.493 8.522 7.121 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.360 8.773 8.850 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.247 5.989 10.105 1.00 0.00 H new ATOM 0 HE1 TRP A 4 8.117 4.223 9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.402 7.830 5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.222 3.730 8.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.352 6.656 4.915 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.246 4.632 5.991 1.00 0.00 H new ATOM 66 N SER A 5 3.738 9.236 9.622 1.00 0.00 N ATOM 67 CA SER A 5 3.075 9.608 10.873 1.00 0.00 C ATOM 68 C SER A 5 1.719 8.912 10.967 1.00 0.00 C ATOM 69 O SER A 5 1.436 8.215 11.942 1.00 0.00 O ATOM 70 CB SER A 5 2.895 11.128 10.953 1.00 0.00 C ATOM 71 OG SER A 5 2.283 11.508 12.173 1.00 0.00 O ATOM 0 H SER A 5 3.937 10.020 9.001 1.00 0.00 H new ATOM 0 HA SER A 5 3.698 9.290 11.709 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.865 11.617 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.286 11.469 10.116 1.00 0.00 H new ATOM 0 HG SER A 5 2.182 12.482 12.199 1.00 0.00 H new ATOM 77 N LEU A 6 0.888 9.107 9.942 1.00 0.00 N ATOM 78 CA LEU A 6 -0.436 8.499 9.896 1.00 0.00 C ATOM 79 C LEU A 6 -0.387 7.194 9.108 1.00 0.00 C ATOM 80 O LEU A 6 -0.661 7.168 7.906 1.00 0.00 O ATOM 81 CB LEU A 6 -1.449 9.466 9.271 1.00 0.00 C ATOM 82 CG LEU A 6 -1.586 10.816 9.983 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.604 11.697 9.274 1.00 0.00 C ATOM 84 CD2 LEU A 6 -1.978 10.614 11.440 1.00 0.00 C ATOM 0 H LEU A 6 1.113 9.684 9.131 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.755 8.280 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.163 9.647 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.426 8.982 9.252 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.619 11.318 9.952 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.686 12.651 9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.282 11.872 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.575 11.201 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.071 11.583 11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.932 10.089 11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.212 10.024 11.944 1.00 0.00 H new ATOM 96 N SER A 7 -0.018 6.117 9.797 1.00 0.00 N ATOM 97 CA SER A 7 0.087 4.798 9.177 1.00 0.00 C ATOM 98 C SER A 7 -0.923 3.801 9.753 1.00 0.00 C ATOM 99 O SER A 7 -0.847 2.608 9.469 1.00 0.00 O ATOM 100 CB SER A 7 1.511 4.254 9.335 1.00 0.00 C ATOM 101 OG SER A 7 2.443 5.036 8.609 1.00 0.00 O ATOM 0 H SER A 7 0.214 6.132 10.790 1.00 0.00 H new ATOM 0 HA SER A 7 -0.145 4.919 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.784 4.245 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.549 3.222 8.987 1.00 0.00 H new ATOM 0 HG SER A 7 2.905 5.646 9.221 1.00 0.00 H new ATOM 107 N LYS A 8 -1.877 4.288 10.552 1.00 0.00 N ATOM 108 CA LYS A 8 -2.891 3.423 11.147 1.00 0.00 C ATOM 109 C LYS A 8 -4.237 3.560 10.424 1.00 0.00 C ATOM 110 O LYS A 8 -5.296 3.355 11.022 1.00 0.00 O ATOM 111 CB LYS A 8 -3.044 3.747 12.636 1.00 0.00 C ATOM 112 CG LYS A 8 -2.014 3.058 13.524 1.00 0.00 C ATOM 113 CD LYS A 8 -0.588 3.445 13.160 1.00 0.00 C ATOM 114 CE LYS A 8 -0.326 4.925 13.405 1.00 0.00 C ATOM 115 NZ LYS A 8 1.085 5.299 13.107 1.00 0.00 N ATOM 0 H LYS A 8 -1.965 5.274 10.799 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.564 2.389 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.965 4.825 12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.043 3.456 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.204 3.317 14.566 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.128 1.977 13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.112 2.850 13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.404 3.212 12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.997 5.519 12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.553 5.166 14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.107 6.232 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.629 5.336 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.505 4.590 12.472 1.00 0.00 H new ATOM 129 N THR A 9 -4.186 3.892 9.130 1.00 0.00 N ATOM 130 CA THR A 9 -5.392 4.047 8.321 1.00 0.00 C ATOM 131 C THR A 9 -5.402 3.045 7.167 1.00 0.00 C ATOM 132 O THR A 9 -4.575 3.126 6.255 1.00 0.00 O ATOM 133 CB THR A 9 -5.517 5.477 7.756 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.310 5.848 7.075 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.803 6.477 8.867 1.00 0.00 C ATOM 0 H THR A 9 -3.317 4.058 8.622 1.00 0.00 H new ATOM 0 HA THR A 9 -6.243 3.857 8.975 1.00 0.00 H new ATOM 0 HB THR A 9 -6.349 5.490 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.989 5.091 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.887 7.478 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.738 6.213 9.362 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.990 6.457 9.593 1.00 0.00 H new ATOM 143 N SER A 10 -6.340 2.100 7.216 1.00 0.00 N ATOM 144 CA SER A 10 -6.455 1.071 6.182 1.00 0.00 C ATOM 145 C SER A 10 -7.540 1.416 5.163 1.00 0.00 C ATOM 146 O SER A 10 -8.299 2.372 5.341 1.00 0.00 O ATOM 147 CB SER A 10 -6.757 -0.290 6.817 1.00 0.00 C ATOM 148 OG SER A 10 -7.950 -0.246 7.583 1.00 0.00 O ATOM 0 H SER A 10 -7.032 2.025 7.961 1.00 0.00 H new ATOM 0 HA SER A 10 -5.500 1.024 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.851 -1.045 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.924 -0.590 7.453 1.00 0.00 H new ATOM 0 HG SER A 10 -8.120 -1.128 7.975 1.00 0.00 H new ATOM 154 N MET A 11 -7.602 0.624 4.093 1.00 0.00 N ATOM 155 CA MET A 11 -8.590 0.819 3.036 1.00 0.00 C ATOM 156 C MET A 11 -9.152 -0.525 2.583 1.00 0.00 C ATOM 157 O MET A 11 -8.406 -1.492 2.412 1.00 0.00 O ATOM 158 CB MET A 11 -7.968 1.555 1.848 1.00 0.00 C ATOM 159 CG MET A 11 -8.952 1.868 0.730 1.00 0.00 C ATOM 160 SD MET A 11 -10.355 2.857 1.285 1.00 0.00 S ATOM 161 CE MET A 11 -9.525 4.332 1.875 1.00 0.00 C ATOM 0 H MET A 11 -6.974 -0.164 3.936 1.00 0.00 H new ATOM 0 HA MET A 11 -9.403 1.426 3.434 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.527 2.487 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.155 0.951 1.444 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.432 2.400 -0.067 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.318 0.934 0.303 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.253 5.134 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.048 4.123 2.833 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.769 4.638 1.152 1.00 0.00 H new ATOM 171 N THR A 12 -10.465 -0.577 2.384 1.00 0.00 N ATOM 172 CA THR A 12 -11.126 -1.806 1.961 1.00 0.00 C ATOM 173 C THR A 12 -11.144 -1.935 0.438 1.00 0.00 C ATOM 174 O THR A 12 -11.743 -1.116 -0.260 1.00 0.00 O ATOM 175 CB THR A 12 -12.571 -1.885 2.496 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.567 -1.815 3.928 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.248 -3.176 2.056 1.00 0.00 C ATOM 0 H THR A 12 -11.092 0.218 2.509 1.00 0.00 H new ATOM 0 HA THR A 12 -10.549 -2.630 2.380 1.00 0.00 H new ATOM 0 HB THR A 12 -13.128 -1.042 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.488 -1.864 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.265 -3.205 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.277 -3.219 0.967 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.688 -4.029 2.438 1.00 0.00 H new ATOM 185 N PHE A 13 -10.477 -2.974 -0.063 1.00 0.00 N ATOM 186 CA PHE A 13 -10.428 -3.249 -1.496 1.00 0.00 C ATOM 187 C PHE A 13 -11.460 -4.314 -1.842 1.00 0.00 C ATOM 188 O PHE A 13 -11.729 -5.210 -1.041 1.00 0.00 O ATOM 189 CB PHE A 13 -9.026 -3.712 -1.911 1.00 0.00 C ATOM 190 CG PHE A 13 -8.000 -2.612 -1.920 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.323 -1.343 -2.380 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.711 -2.848 -1.473 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.379 -0.334 -2.389 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.765 -1.844 -1.481 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.098 -0.584 -1.940 1.00 0.00 C ATOM 0 H PHE A 13 -9.960 -3.643 0.508 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.657 -2.333 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.697 -4.497 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.079 -4.154 -2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.323 -1.142 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.443 -3.830 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.643 0.650 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.764 -2.043 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.358 0.203 -1.947 1.00 0.00 H new ATOM 205 N GLN A 14 -12.036 -4.214 -3.038 1.00 0.00 N ATOM 206 CA GLN A 14 -13.041 -5.171 -3.483 1.00 0.00 C ATOM 207 C GLN A 14 -12.633 -5.812 -4.807 1.00 0.00 C ATOM 208 O GLN A 14 -12.509 -5.126 -5.824 1.00 0.00 O ATOM 209 CB GLN A 14 -14.402 -4.483 -3.625 1.00 0.00 C ATOM 210 CG GLN A 14 -15.523 -5.426 -4.037 1.00 0.00 C ATOM 211 CD GLN A 14 -16.875 -4.740 -4.078 1.00 0.00 C ATOM 212 OE1 GLN A 14 -17.278 -4.203 -5.110 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.585 -4.756 -2.955 1.00 0.00 N ATOM 0 H GLN A 14 -11.823 -3.480 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.119 -5.957 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.663 -4.015 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.321 -3.685 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -15.301 -5.842 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.565 -6.262 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.212 -5.213 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.503 -4.312 -2.925 1.00 0.00 H new ATOM 222 N PRO A 15 -12.415 -7.141 -4.807 1.00 0.00 N ATOM 223 CA PRO A 15 -12.023 -7.883 -6.011 1.00 0.00 C ATOM 224 C PRO A 15 -13.050 -7.758 -7.130 1.00 0.00 C ATOM 225 O PRO A 15 -14.247 -7.609 -6.878 1.00 0.00 O ATOM 226 CB PRO A 15 -11.933 -9.334 -5.532 1.00 0.00 C ATOM 227 CG PRO A 15 -11.780 -9.248 -4.054 1.00 0.00 C ATOM 228 CD PRO A 15 -12.538 -8.025 -3.634 1.00 0.00 C ATOM 0 HA PRO A 15 -11.092 -7.503 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.828 -9.894 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.085 -9.847 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.176 -10.139 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.729 -9.172 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.580 -8.253 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.110 -7.572 -2.740 1.00 0.00 H new ATOM 236 N LYS A 16 -12.569 -7.823 -8.370 1.00 0.00 N ATOM 237 CA LYS A 16 -13.439 -7.733 -9.539 1.00 0.00 C ATOM 238 C LYS A 16 -14.337 -8.967 -9.646 1.00 0.00 C ATOM 239 O LYS A 16 -15.482 -8.873 -10.094 1.00 0.00 O ATOM 240 CB LYS A 16 -12.606 -7.579 -10.816 1.00 0.00 C ATOM 241 CG LYS A 16 -11.681 -6.369 -10.805 1.00 0.00 C ATOM 242 CD LYS A 16 -12.456 -5.067 -10.691 1.00 0.00 C ATOM 243 CE LYS A 16 -11.523 -3.876 -10.538 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.270 -2.598 -10.381 1.00 0.00 N ATOM 0 H LYS A 16 -11.580 -7.938 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.072 -6.853 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.009 -8.480 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.279 -7.503 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.984 -6.452 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.085 -6.359 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.077 -4.933 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.129 -5.116 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.880 -4.029 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.873 -3.811 -11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.596 -1.814 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.852 -2.430 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.884 -2.656 -9.544 1.00 0.00 H new ATOM 258 N LYS A 17 -13.809 -10.124 -9.230 1.00 0.00 N ATOM 259 CA LYS A 17 -14.556 -11.379 -9.278 1.00 0.00 C ATOM 260 C LYS A 17 -14.945 -11.844 -7.873 1.00 0.00 C ATOM 261 O LYS A 17 -14.574 -11.221 -6.875 1.00 0.00 O ATOM 262 CB LYS A 17 -13.731 -12.470 -9.971 1.00 0.00 C ATOM 263 CG LYS A 17 -13.244 -12.090 -11.363 1.00 0.00 C ATOM 264 CD LYS A 17 -11.944 -11.301 -11.308 1.00 0.00 C ATOM 265 CE LYS A 17 -11.517 -10.829 -12.689 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.249 -10.049 -12.642 1.00 0.00 N ATOM 0 H LYS A 17 -12.864 -10.214 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.467 -11.200 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.869 -12.709 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.333 -13.376 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.097 -12.993 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.008 -11.498 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.068 -10.440 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.159 -11.922 -10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.389 -11.691 -13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.306 -10.214 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.157 -9.483 -13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.261 -9.417 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.443 -10.701 -12.567 1.00 0.00 H new ATOM 280 N ALA A 18 -15.693 -12.946 -7.806 1.00 0.00 N ATOM 281 CA ALA A 18 -16.137 -13.504 -6.529 1.00 0.00 C ATOM 282 C ALA A 18 -15.079 -14.425 -5.916 1.00 0.00 C ATOM 283 O ALA A 18 -14.957 -14.507 -4.693 1.00 0.00 O ATOM 284 CB ALA A 18 -17.449 -14.255 -6.713 1.00 0.00 C ATOM 0 H ALA A 18 -16.004 -13.471 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.292 -12.675 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.770 -14.666 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.210 -13.571 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.307 -15.066 -7.427 1.00 0.00 H new ATOM 290 N SER A 19 -14.321 -15.119 -6.772 1.00 0.00 N ATOM 291 CA SER A 19 -13.272 -16.034 -6.315 1.00 0.00 C ATOM 292 C SER A 19 -12.255 -15.318 -5.424 1.00 0.00 C ATOM 293 O SER A 19 -11.842 -15.848 -4.393 1.00 0.00 O ATOM 294 CB SER A 19 -12.561 -16.669 -7.515 1.00 0.00 C ATOM 295 OG SER A 19 -11.979 -15.681 -8.352 1.00 0.00 O ATOM 0 H SER A 19 -14.415 -15.064 -7.786 1.00 0.00 H new ATOM 0 HA SER A 19 -13.748 -16.816 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.788 -17.352 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.272 -17.262 -8.090 1.00 0.00 H new ATOM 0 HG SER A 19 -11.531 -16.115 -9.108 1.00 0.00 H new ATOM 301 N LEU A 20 -11.859 -14.110 -5.831 1.00 0.00 N ATOM 302 CA LEU A 20 -10.894 -13.314 -5.075 1.00 0.00 C ATOM 303 C LEU A 20 -11.504 -12.813 -3.762 1.00 0.00 C ATOM 304 O LEU A 20 -12.726 -12.822 -3.593 1.00 0.00 O ATOM 305 CB LEU A 20 -10.422 -12.131 -5.923 1.00 0.00 C ATOM 306 CG LEU A 20 -9.804 -12.499 -7.274 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.669 -11.263 -8.151 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.450 -13.166 -7.080 1.00 0.00 C ATOM 0 H LEU A 20 -12.194 -13.662 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.040 -13.946 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.271 -11.470 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.689 -11.564 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.466 -13.207 -7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.228 -11.542 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.654 -10.827 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.029 -10.533 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.027 -13.420 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.779 -12.483 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.573 -14.074 -6.489 1.00 0.00 H new ATOM 320 N GLN A 21 -10.648 -12.372 -2.836 1.00 0.00 N ATOM 321 CA GLN A 21 -11.102 -11.883 -1.534 1.00 0.00 C ATOM 322 C GLN A 21 -10.686 -10.428 -1.307 1.00 0.00 C ATOM 323 O GLN A 21 -9.585 -10.027 -1.690 1.00 0.00 O ATOM 324 CB GLN A 21 -10.537 -12.763 -0.414 1.00 0.00 C ATOM 325 CG GLN A 21 -11.036 -14.199 -0.452 1.00 0.00 C ATOM 326 CD GLN A 21 -10.280 -15.104 0.504 1.00 0.00 C ATOM 327 OE1 GLN A 21 -9.274 -15.710 0.137 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.760 -15.197 1.740 1.00 0.00 N ATOM 0 H GLN A 21 -9.637 -12.344 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.191 -11.931 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.449 -12.764 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.798 -12.323 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.097 -14.218 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.940 -14.587 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.597 -14.677 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.291 -15.788 2.426 1.00 0.00 H new ATOM 337 N PRO A 22 -11.561 -9.620 -0.674 1.00 0.00 N ATOM 338 CA PRO A 22 -11.278 -8.204 -0.389 1.00 0.00 C ATOM 339 C PRO A 22 -10.044 -8.024 0.496 1.00 0.00 C ATOM 340 O PRO A 22 -9.705 -8.903 1.291 1.00 0.00 O ATOM 341 CB PRO A 22 -12.539 -7.711 0.332 1.00 0.00 C ATOM 342 CG PRO A 22 -13.242 -8.942 0.793 1.00 0.00 C ATOM 343 CD PRO A 22 -12.895 -10.019 -0.194 1.00 0.00 C ATOM 0 HA PRO A 22 -11.057 -7.647 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.283 -7.067 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.170 -7.126 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.924 -9.218 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.320 -8.783 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.877 -11.003 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.618 -10.067 -1.008 1.00 0.00 H new ATOM 351 N LEU A 23 -9.381 -6.876 0.350 1.00 0.00 N ATOM 352 CA LEU A 23 -8.173 -6.579 1.119 1.00 0.00 C ATOM 353 C LEU A 23 -8.343 -5.309 1.947 1.00 0.00 C ATOM 354 O LEU A 23 -8.604 -4.236 1.404 1.00 0.00 O ATOM 355 CB LEU A 23 -6.982 -6.428 0.170 1.00 0.00 C ATOM 356 CG LEU A 23 -5.596 -6.594 0.805 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.520 -6.631 -0.270 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.315 -5.469 1.792 1.00 0.00 C ATOM 0 H LEU A 23 -9.661 -6.136 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.992 -7.407 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.084 -7.161 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.033 -5.442 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.582 -7.539 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.542 -6.749 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.705 -7.470 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.541 -5.701 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.327 -5.608 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.351 -4.512 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.067 -5.481 2.581 1.00 0.00 H new ATOM 370 N THR A 24 -8.182 -5.437 3.262 1.00 0.00 N ATOM 371 CA THR A 24 -8.309 -4.293 4.162 1.00 0.00 C ATOM 372 C THR A 24 -7.102 -4.198 5.095 1.00 0.00 C ATOM 373 O THR A 24 -7.139 -4.686 6.227 1.00 0.00 O ATOM 374 CB THR A 24 -9.608 -4.366 4.995 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.736 -4.549 4.130 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.801 -3.097 5.815 1.00 0.00 C ATOM 0 H THR A 24 -7.964 -6.318 3.727 1.00 0.00 H new ATOM 0 HA THR A 24 -8.351 -3.398 3.541 1.00 0.00 H new ATOM 0 HB THR A 24 -9.526 -5.214 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.267 -3.726 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.722 -3.173 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.957 -2.970 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.862 -2.238 5.147 1.00 0.00 H new ATOM 384 N ILE A 25 -6.025 -3.585 4.604 1.00 0.00 N ATOM 385 CA ILE A 25 -4.796 -3.453 5.383 1.00 0.00 C ATOM 386 C ILE A 25 -4.319 -2.000 5.455 1.00 0.00 C ATOM 387 O ILE A 25 -4.642 -1.185 4.588 1.00 0.00 O ATOM 388 CB ILE A 25 -3.676 -4.336 4.784 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.546 -4.542 5.796 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.139 -3.725 3.495 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.934 -5.413 6.969 1.00 0.00 C ATOM 0 H ILE A 25 -5.980 -3.173 3.672 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.021 -3.787 6.396 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.103 -5.311 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.692 -4.991 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.221 -3.570 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.352 -4.362 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.947 -3.640 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.733 -2.735 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.084 -5.514 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.768 -4.956 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.231 -6.398 6.608 1.00 0.00 H new ATOM 403 N SER A 26 -3.548 -1.690 6.499 1.00 0.00 N ATOM 404 CA SER A 26 -3.015 -0.345 6.699 1.00 0.00 C ATOM 405 C SER A 26 -1.488 -0.322 6.565 1.00 0.00 C ATOM 406 O SER A 26 -0.843 -1.369 6.478 1.00 0.00 O ATOM 407 CB SER A 26 -3.427 0.179 8.078 1.00 0.00 C ATOM 408 OG SER A 26 -3.009 1.518 8.264 1.00 0.00 O ATOM 0 H SER A 26 -3.279 -2.358 7.222 1.00 0.00 H new ATOM 0 HA SER A 26 -3.430 0.301 5.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.510 0.115 8.185 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.992 -0.451 8.854 1.00 0.00 H new ATOM 0 HG SER A 26 -2.153 1.530 8.741 1.00 0.00 H new ATOM 414 N LEU A 27 -0.925 0.889 6.550 1.00 0.00 N ATOM 415 CA LEU A 27 0.523 1.090 6.437 1.00 0.00 C ATOM 416 C LEU A 27 1.278 0.402 7.576 1.00 0.00 C ATOM 417 O LEU A 27 2.074 -0.509 7.345 1.00 0.00 O ATOM 418 CB LEU A 27 0.844 2.591 6.450 1.00 0.00 C ATOM 419 CG LEU A 27 0.074 3.437 5.431 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.605 4.862 5.413 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.156 2.818 4.043 1.00 0.00 C ATOM 0 H LEU A 27 -1.458 1.756 6.616 1.00 0.00 H new ATOM 0 HA LEU A 27 0.846 0.646 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.640 2.980 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.911 2.718 6.270 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.974 3.462 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.047 5.449 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.489 5.306 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.660 4.854 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.398 3.436 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.199 2.758 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.275 1.817 4.065 1.00 0.00 H new ATOM 433 N ASP A 28 1.011 0.838 8.807 1.00 0.00 N ATOM 434 CA ASP A 28 1.667 0.289 9.991 1.00 0.00 C ATOM 435 C ASP A 28 1.320 -1.187 10.190 1.00 0.00 C ATOM 436 O ASP A 28 2.120 -1.951 10.732 1.00 0.00 O ATOM 437 CB ASP A 28 1.258 1.089 11.235 1.00 0.00 C ATOM 438 CG ASP A 28 2.070 0.719 12.461 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.215 1.204 12.584 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.560 -0.054 13.301 1.00 0.00 O ATOM 0 H ASP A 28 0.338 1.577 9.010 1.00 0.00 H new ATOM 0 HA ASP A 28 2.744 0.367 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.377 2.153 11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.201 0.920 11.440 1.00 0.00 H new ATOM 445 N GLU A 29 0.125 -1.581 9.746 1.00 0.00 N ATOM 446 CA GLU A 29 -0.336 -2.958 9.885 1.00 0.00 C ATOM 447 C GLU A 29 0.208 -3.871 8.776 1.00 0.00 C ATOM 448 O GLU A 29 -0.078 -5.071 8.774 1.00 0.00 O ATOM 449 CB GLU A 29 -1.868 -2.986 9.889 1.00 0.00 C ATOM 450 CG GLU A 29 -2.464 -4.306 10.347 1.00 0.00 C ATOM 451 CD GLU A 29 -3.968 -4.235 10.536 1.00 0.00 C ATOM 452 OE1 GLU A 29 -4.702 -4.374 9.535 1.00 0.00 O ATOM 453 OE2 GLU A 29 -4.413 -4.036 11.687 1.00 0.00 O ATOM 0 H GLU A 29 -0.541 -0.961 9.286 1.00 0.00 H new ATOM 0 HA GLU A 29 0.047 -3.342 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.233 -2.190 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.227 -2.767 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.230 -5.079 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.998 -4.604 11.286 1.00 0.00 H new ATOM 460 N LEU A 30 0.999 -3.323 7.842 1.00 0.00 N ATOM 461 CA LEU A 30 1.542 -4.138 6.753 1.00 0.00 C ATOM 462 C LEU A 30 3.051 -3.931 6.526 1.00 0.00 C ATOM 463 O LEU A 30 3.610 -4.478 5.573 1.00 0.00 O ATOM 464 CB LEU A 30 0.771 -3.860 5.459 1.00 0.00 C ATOM 465 CG LEU A 30 1.025 -4.847 4.315 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.629 -6.258 4.723 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.269 -4.419 3.068 1.00 0.00 C ATOM 0 H LEU A 30 1.271 -2.340 7.820 1.00 0.00 H new ATOM 0 HA LEU A 30 1.416 -5.179 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.295 -3.859 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.024 -2.858 5.114 1.00 0.00 H new ATOM 0 HG LEU A 30 2.092 -4.845 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.818 -6.942 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.216 -6.565 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.431 -6.279 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.460 -5.130 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.799 -4.391 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.604 -3.428 2.762 1.00 0.00 H new ATOM 479 N PHE A 31 3.716 -3.170 7.407 1.00 0.00 N ATOM 480 CA PHE A 31 5.159 -2.945 7.247 1.00 0.00 C ATOM 481 C PHE A 31 5.900 -3.116 8.571 1.00 0.00 C ATOM 482 O PHE A 31 5.396 -2.731 9.629 1.00 0.00 O ATOM 483 CB PHE A 31 5.455 -1.567 6.639 1.00 0.00 C ATOM 484 CG PHE A 31 4.692 -1.278 5.372 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.715 -2.171 4.312 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.950 -0.115 5.248 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.008 -1.908 3.155 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.242 0.152 4.092 1.00 0.00 C ATOM 489 CZ PHE A 31 3.271 -0.747 3.045 1.00 0.00 C ATOM 0 H PHE A 31 3.293 -2.712 8.215 1.00 0.00 H new ATOM 0 HA PHE A 31 5.523 -3.702 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.220 -0.799 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.523 -1.495 6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.291 -3.081 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.925 0.591 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.032 -2.612 2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.667 1.062 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.717 -0.542 2.141 1.00 0.00 H new ATOM 499 N SER A 32 7.100 -3.695 8.503 1.00 0.00 N ATOM 500 CA SER A 32 7.915 -3.928 9.695 1.00 0.00 C ATOM 501 C SER A 32 9.376 -3.522 9.460 1.00 0.00 C ATOM 502 O SER A 32 10.285 -4.085 10.074 1.00 0.00 O ATOM 503 CB SER A 32 7.859 -5.414 10.059 1.00 0.00 C ATOM 504 OG SER A 32 6.529 -5.825 10.330 1.00 0.00 O ATOM 0 H SER A 32 7.529 -4.011 7.633 1.00 0.00 H new ATOM 0 HA SER A 32 7.517 -3.320 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.266 -6.007 9.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.485 -5.602 10.931 1.00 0.00 H new ATOM 0 HG SER A 32 6.521 -6.778 10.558 1.00 0.00 H new ATOM 510 N SER A 33 9.600 -2.538 8.585 1.00 0.00 N ATOM 511 CA SER A 33 10.957 -2.081 8.280 1.00 0.00 C ATOM 512 C SER A 33 10.956 -0.657 7.721 1.00 0.00 C ATOM 513 O SER A 33 10.094 -0.299 6.916 1.00 0.00 O ATOM 514 CB SER A 33 11.628 -3.042 7.294 1.00 0.00 C ATOM 515 OG SER A 33 12.895 -2.557 6.880 1.00 0.00 O ATOM 0 H SER A 33 8.864 -2.046 8.079 1.00 0.00 H new ATOM 0 HA SER A 33 11.525 -2.071 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.746 -4.020 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.987 -3.179 6.423 1.00 0.00 H new ATOM 0 HG SER A 33 13.299 -3.192 6.253 1.00 0.00 H new ATOM 521 N ARG A 34 11.931 0.149 8.153 1.00 0.00 N ATOM 522 CA ARG A 34 12.052 1.533 7.692 1.00 0.00 C ATOM 523 C ARG A 34 12.358 1.583 6.196 1.00 0.00 C ATOM 524 O ARG A 34 11.631 2.218 5.431 1.00 0.00 O ATOM 525 CB ARG A 34 13.144 2.269 8.475 1.00 0.00 C ATOM 526 CG ARG A 34 12.837 2.419 9.958 1.00 0.00 C ATOM 527 CD ARG A 34 13.985 3.085 10.703 1.00 0.00 C ATOM 528 NE ARG A 34 15.198 2.266 10.690 1.00 0.00 N ATOM 529 CZ ARG A 34 16.432 2.750 10.866 1.00 0.00 C ATOM 530 NH1 ARG A 34 16.626 4.051 11.073 1.00 0.00 N ATOM 531 NH2 ARG A 34 17.474 1.928 10.839 1.00 0.00 N ATOM 0 H ARG A 34 12.647 -0.135 8.821 1.00 0.00 H new ATOM 0 HA ARG A 34 11.098 2.030 7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 34 14.086 1.732 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.286 3.258 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.929 3.009 10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.642 1.438 10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.197 4.054 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.686 3.274 11.734 1.00 0.00 H new ATOM 0 HE ARG A 34 15.096 1.263 10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.830 4.688 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.571 4.411 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.332 0.930 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.416 2.295 10.973 1.00 0.00 H new ATOM 545 N GLY A 35 13.440 0.912 5.786 1.00 0.00 N ATOM 546 CA GLY A 35 13.807 0.879 4.378 1.00 0.00 C ATOM 547 C GLY A 35 12.705 0.285 3.521 1.00 0.00 C ATOM 548 O GLY A 35 12.505 0.705 2.380 1.00 0.00 O ATOM 0 H GLY A 35 14.065 0.394 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.028 1.890 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.719 0.295 4.254 1.00 0.00 H new ATOM 552 N GLU A 36 11.995 -0.702 4.075 1.00 0.00 N ATOM 553 CA GLU A 36 10.884 -1.342 3.378 1.00 0.00 C ATOM 554 C GLU A 36 9.805 -0.309 3.062 1.00 0.00 C ATOM 555 O GLU A 36 9.240 -0.301 1.968 1.00 0.00 O ATOM 556 CB GLU A 36 10.304 -2.466 4.239 1.00 0.00 C ATOM 557 CG GLU A 36 9.127 -3.188 3.609 1.00 0.00 C ATOM 558 CD GLU A 36 8.521 -4.218 4.541 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.021 -5.363 4.566 1.00 0.00 O ATOM 560 OE2 GLU A 36 7.550 -3.879 5.251 1.00 0.00 O ATOM 0 H GLU A 36 12.174 -1.074 5.008 1.00 0.00 H new ATOM 0 HA GLU A 36 11.248 -1.769 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.091 -3.191 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.991 -2.050 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.365 -2.461 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.453 -3.678 2.691 1.00 0.00 H new ATOM 567 N PHE A 37 9.533 0.564 4.039 1.00 0.00 N ATOM 568 CA PHE A 37 8.547 1.628 3.882 1.00 0.00 C ATOM 569 C PHE A 37 8.929 2.529 2.706 1.00 0.00 C ATOM 570 O PHE A 37 8.073 2.951 1.927 1.00 0.00 O ATOM 571 CB PHE A 37 8.456 2.450 5.173 1.00 0.00 C ATOM 572 CG PHE A 37 7.202 3.269 5.295 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.123 4.532 4.730 1.00 0.00 C ATOM 574 CD2 PHE A 37 6.103 2.777 5.983 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.974 5.288 4.849 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.950 3.528 6.103 1.00 0.00 C ATOM 577 CZ PHE A 37 4.886 4.786 5.535 1.00 0.00 C ATOM 0 H PHE A 37 9.988 0.550 4.952 1.00 0.00 H new ATOM 0 HA PHE A 37 7.573 1.183 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.520 1.774 6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.318 3.115 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.970 4.929 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.149 1.795 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.926 6.272 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.100 3.133 6.640 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.986 5.376 5.628 1.00 0.00 H new ATOM 587 N ILE A 38 10.225 2.840 2.601 1.00 0.00 N ATOM 588 CA ILE A 38 10.741 3.666 1.511 1.00 0.00 C ATOM 589 C ILE A 38 10.409 3.068 0.143 1.00 0.00 C ATOM 590 O ILE A 38 9.836 3.751 -0.708 1.00 0.00 O ATOM 591 CB ILE A 38 12.273 3.848 1.623 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.635 4.543 2.940 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.809 4.641 0.436 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.958 5.886 3.129 1.00 0.00 C ATOM 0 H ILE A 38 10.937 2.529 3.262 1.00 0.00 H new ATOM 0 HA ILE A 38 10.254 4.637 1.599 1.00 0.00 H new ATOM 0 HB ILE A 38 12.737 2.862 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.365 3.891 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.715 4.682 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.888 4.758 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.584 4.109 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.338 5.624 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.263 6.316 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.247 6.556 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.876 5.753 3.121 1.00 0.00 H new ATOM 606 N SER A 39 10.770 1.795 -0.067 1.00 0.00 N ATOM 607 CA SER A 39 10.508 1.132 -1.347 1.00 0.00 C ATOM 608 C SER A 39 9.015 1.152 -1.661 1.00 0.00 C ATOM 609 O SER A 39 8.598 1.800 -2.623 1.00 0.00 O ATOM 610 CB SER A 39 11.042 -0.304 -1.338 1.00 0.00 C ATOM 611 OG SER A 39 12.446 -0.326 -1.145 1.00 0.00 O ATOM 0 H SER A 39 11.239 1.211 0.626 1.00 0.00 H new ATOM 0 HA SER A 39 11.032 1.680 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.554 -0.872 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.794 -0.793 -2.280 1.00 0.00 H new ATOM 0 HG SER A 39 12.761 -1.254 -1.142 1.00 0.00 H new ATOM 617 N VAL A 40 8.220 0.424 -0.863 1.00 0.00 N ATOM 618 CA VAL A 40 6.767 0.325 -1.065 1.00 0.00 C ATOM 619 C VAL A 40 6.133 1.592 -1.642 1.00 0.00 C ATOM 620 O VAL A 40 5.250 1.496 -2.498 1.00 0.00 O ATOM 621 CB VAL A 40 6.020 -0.080 0.226 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.391 -1.498 0.636 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.301 0.897 1.355 1.00 0.00 C ATOM 0 H VAL A 40 8.563 -0.110 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 40 6.654 -0.465 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 40 4.950 -0.049 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.855 -1.765 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.119 -2.190 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.464 -1.556 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.761 0.585 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.371 0.914 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.973 1.895 1.063 1.00 0.00 H new ATOM 633 N GLY A 41 6.565 2.775 -1.190 1.00 0.00 N ATOM 634 CA GLY A 41 6.002 4.014 -1.704 1.00 0.00 C ATOM 635 C GLY A 41 5.662 5.002 -0.600 1.00 0.00 C ATOM 636 O GLY A 41 4.637 5.681 -0.670 1.00 0.00 O ATOM 0 H GLY A 41 7.290 2.893 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.711 4.473 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.102 3.790 -2.276 1.00 0.00 H new ATOM 640 N GLY A 42 6.529 5.099 0.413 1.00 0.00 N ATOM 641 CA GLY A 42 6.281 6.002 1.522 1.00 0.00 C ATOM 642 C GLY A 42 7.348 7.067 1.677 1.00 0.00 C ATOM 643 O GLY A 42 8.376 6.837 2.316 1.00 0.00 O ATOM 0 H GLY A 42 7.396 4.567 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.314 6.484 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.217 5.425 2.444 1.00 0.00 H new ATOM 647 N ASP A 43 7.098 8.235 1.090 1.00 0.00 N ATOM 648 CA ASP A 43 8.009 9.370 1.214 1.00 0.00 C ATOM 649 C ASP A 43 7.538 10.240 2.381 1.00 0.00 C ATOM 650 O ASP A 43 8.064 10.124 3.490 1.00 0.00 O ATOM 651 CB ASP A 43 8.057 10.176 -0.091 1.00 0.00 C ATOM 652 CG ASP A 43 8.707 9.404 -1.225 1.00 0.00 C ATOM 653 OD1 ASP A 43 9.948 9.475 -1.357 1.00 0.00 O ATOM 654 OD2 ASP A 43 7.977 8.731 -1.981 1.00 0.00 O ATOM 0 H ASP A 43 6.271 8.420 0.523 1.00 0.00 H new ATOM 0 HA ASP A 43 9.021 9.014 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.044 10.456 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.607 11.102 0.077 1.00 0.00 H new ATOM 659 N GLY A 44 6.549 11.106 2.137 1.00 0.00 N ATOM 660 CA GLY A 44 6.047 11.975 3.190 1.00 0.00 C ATOM 661 C GLY A 44 4.575 12.301 3.037 1.00 0.00 C ATOM 662 O GLY A 44 3.740 11.752 3.750 1.00 0.00 O ATOM 0 H GLY A 44 6.091 11.219 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.209 11.497 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.620 12.902 3.193 1.00 0.00 H new ATOM 666 N ARG A 45 4.257 13.196 2.107 1.00 0.00 N ATOM 667 CA ARG A 45 2.872 13.594 1.875 1.00 0.00 C ATOM 668 C ARG A 45 2.205 12.684 0.847 1.00 0.00 C ATOM 669 O ARG A 45 2.362 12.872 -0.362 1.00 0.00 O ATOM 670 CB ARG A 45 2.802 15.057 1.421 1.00 0.00 C ATOM 671 CG ARG A 45 3.101 16.055 2.533 1.00 0.00 C ATOM 672 CD ARG A 45 4.574 16.058 2.918 1.00 0.00 C ATOM 673 NE ARG A 45 5.437 16.438 1.799 1.00 0.00 N ATOM 674 CZ ARG A 45 6.722 16.089 1.690 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.303 15.340 2.626 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.429 16.491 0.640 1.00 0.00 N ATOM 0 H ARG A 45 4.937 13.658 1.503 1.00 0.00 H new ATOM 0 HA ARG A 45 2.331 13.495 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.510 15.210 0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.808 15.258 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.809 17.054 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.498 15.813 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.730 16.750 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.857 15.067 3.273 1.00 0.00 H new ATOM 0 HE ARG A 45 5.032 17.006 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.766 15.028 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.285 15.079 2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.991 17.065 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.410 16.226 0.554 1.00 0.00 H new ATOM 690 N MET A 46 1.468 11.689 1.341 1.00 0.00 N ATOM 691 CA MET A 46 0.765 10.746 0.476 1.00 0.00 C ATOM 692 C MET A 46 -0.592 11.315 0.058 1.00 0.00 C ATOM 693 O MET A 46 -1.053 12.312 0.618 1.00 0.00 O ATOM 694 CB MET A 46 0.583 9.401 1.184 1.00 0.00 C ATOM 695 CG MET A 46 0.542 8.212 0.238 1.00 0.00 C ATOM 696 SD MET A 46 2.128 7.363 0.113 1.00 0.00 S ATOM 697 CE MET A 46 3.153 8.652 -0.592 1.00 0.00 C ATOM 0 H MET A 46 1.343 11.516 2.339 1.00 0.00 H new ATOM 0 HA MET A 46 1.366 10.587 -0.419 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.398 9.261 1.894 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.341 9.427 1.761 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.216 7.507 0.580 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.238 8.552 -0.752 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.125 8.238 -0.860 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.671 9.053 -1.483 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.288 9.450 0.138 1.00 0.00 H new ATOM 707 N SER A 47 -1.230 10.679 -0.923 1.00 0.00 N ATOM 708 CA SER A 47 -2.523 11.139 -1.416 1.00 0.00 C ATOM 709 C SER A 47 -3.689 10.508 -0.655 1.00 0.00 C ATOM 710 O SER A 47 -4.349 11.166 0.150 1.00 0.00 O ATOM 711 CB SER A 47 -2.654 10.838 -2.914 1.00 0.00 C ATOM 712 OG SER A 47 -3.855 11.375 -3.443 1.00 0.00 O ATOM 0 H SER A 47 -0.872 9.846 -1.390 1.00 0.00 H new ATOM 0 HA SER A 47 -2.568 12.216 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.800 11.256 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.633 9.760 -3.074 1.00 0.00 H new ATOM 0 HG SER A 47 -3.912 11.170 -4.400 1.00 0.00 H new ATOM 718 N HIS A 48 -3.923 9.221 -0.918 1.00 0.00 N ATOM 719 CA HIS A 48 -5.033 8.476 -0.328 1.00 0.00 C ATOM 720 C HIS A 48 -5.039 7.046 -0.866 1.00 0.00 C ATOM 721 O HIS A 48 -5.015 6.089 -0.090 1.00 0.00 O ATOM 722 CB HIS A 48 -6.360 9.167 -0.672 1.00 0.00 C ATOM 723 CG HIS A 48 -7.575 8.346 -0.360 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.209 8.375 0.864 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.273 7.472 -1.123 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.244 7.553 0.840 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.305 6.995 -0.354 1.00 0.00 N ATOM 0 H HIS A 48 -3.345 8.666 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.913 8.449 0.755 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.420 10.108 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.364 9.414 -1.734 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.058 7.201 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.924 7.369 1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.006 6.318 -0.657 1.00 0.00 H new ATOM 736 N LYS A 49 -5.069 6.902 -2.189 1.00 0.00 N ATOM 737 CA LYS A 49 -5.028 5.588 -2.823 1.00 0.00 C ATOM 738 C LYS A 49 -3.593 5.057 -2.859 1.00 0.00 C ATOM 739 O LYS A 49 -3.372 3.845 -2.895 1.00 0.00 O ATOM 740 CB LYS A 49 -5.575 5.681 -4.249 1.00 0.00 C ATOM 741 CG LYS A 49 -7.059 5.369 -4.354 1.00 0.00 C ATOM 742 CD LYS A 49 -7.344 3.901 -4.067 1.00 0.00 C ATOM 743 CE LYS A 49 -8.838 3.612 -4.035 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.510 4.257 -2.871 1.00 0.00 N ATOM 0 H LYS A 49 -5.122 7.682 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.644 4.902 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.395 6.685 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.022 4.992 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.613 5.992 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.415 5.621 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.870 3.283 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.900 3.624 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.295 3.967 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.997 2.535 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.472 3.875 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.968 4.062 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.559 5.284 -3.024 1.00 0.00 H new ATOM 758 N GLU A 50 -2.627 5.977 -2.848 1.00 0.00 N ATOM 759 CA GLU A 50 -1.212 5.629 -2.894 1.00 0.00 C ATOM 760 C GLU A 50 -0.758 4.889 -1.639 1.00 0.00 C ATOM 761 O GLU A 50 -0.214 3.789 -1.733 1.00 0.00 O ATOM 762 CB GLU A 50 -0.375 6.898 -3.076 1.00 0.00 C ATOM 763 CG GLU A 50 -0.648 7.628 -4.382 1.00 0.00 C ATOM 764 CD GLU A 50 -0.350 6.779 -5.603 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.810 6.790 -6.066 1.00 0.00 O ATOM 766 OE2 GLU A 50 -1.278 6.103 -6.098 1.00 0.00 O ATOM 0 H GLU A 50 -2.806 6.980 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.066 4.958 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.571 7.574 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.682 6.635 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.692 7.939 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.044 8.535 -4.419 1.00 0.00 H new ATOM 773 N ALA A 51 -0.991 5.492 -0.466 1.00 0.00 N ATOM 774 CA ALA A 51 -0.580 4.896 0.811 1.00 0.00 C ATOM 775 C ALA A 51 -0.956 3.420 0.890 1.00 0.00 C ATOM 776 O ALA A 51 -0.082 2.583 1.120 1.00 0.00 O ATOM 777 CB ALA A 51 -1.170 5.664 1.987 1.00 0.00 C ATOM 0 H ALA A 51 -1.462 6.392 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 51 0.506 4.965 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.850 5.202 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.825 6.697 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.258 5.643 1.926 1.00 0.00 H new ATOM 783 N ILE A 52 -2.231 3.083 0.708 1.00 0.00 N ATOM 784 CA ILE A 52 -2.635 1.682 0.804 1.00 0.00 C ATOM 785 C ILE A 52 -1.893 0.846 -0.240 1.00 0.00 C ATOM 786 O ILE A 52 -1.390 -0.235 0.073 1.00 0.00 O ATOM 787 CB ILE A 52 -4.159 1.496 0.667 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.899 2.416 1.646 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.544 0.040 0.901 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.668 2.077 3.105 1.00 0.00 C ATOM 0 H ILE A 52 -2.983 3.739 0.499 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.364 1.335 1.801 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.451 1.767 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.586 3.445 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.968 2.367 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.624 -0.072 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.044 -0.591 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.240 -0.260 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.225 2.773 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.008 1.060 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.605 2.154 3.333 1.00 0.00 H new ATOM 802 N LEU A 53 -1.833 1.347 -1.478 1.00 0.00 N ATOM 803 CA LEU A 53 -1.215 0.604 -2.582 1.00 0.00 C ATOM 804 C LEU A 53 0.196 0.099 -2.246 1.00 0.00 C ATOM 805 O LEU A 53 0.629 -0.922 -2.782 1.00 0.00 O ATOM 806 CB LEU A 53 -1.213 1.442 -3.863 1.00 0.00 C ATOM 807 CG LEU A 53 -0.942 0.681 -5.161 1.00 0.00 C ATOM 808 CD1 LEU A 53 -2.055 -0.316 -5.444 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.792 1.658 -6.319 1.00 0.00 C ATOM 0 H LEU A 53 -2.203 2.260 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.826 -0.284 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.180 1.938 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.462 2.225 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.011 0.125 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.841 -0.846 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.120 -1.031 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.003 0.214 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.599 1.105 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.710 2.236 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.040 2.333 -6.120 1.00 0.00 H new ATOM 821 N LEU A 54 0.909 0.823 -1.373 1.00 0.00 N ATOM 822 CA LEU A 54 2.256 0.433 -0.938 1.00 0.00 C ATOM 823 C LEU A 54 2.359 -1.068 -0.637 1.00 0.00 C ATOM 824 O LEU A 54 3.368 -1.705 -0.942 1.00 0.00 O ATOM 825 CB LEU A 54 2.631 1.215 0.326 1.00 0.00 C ATOM 826 CG LEU A 54 3.307 2.571 0.100 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.435 3.479 -0.750 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.621 3.232 1.433 1.00 0.00 C ATOM 0 H LEU A 54 0.572 1.688 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 54 2.940 0.662 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.726 1.376 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.295 0.596 0.929 1.00 0.00 H new ATOM 0 HG LEU A 54 4.241 2.401 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.938 4.435 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.258 3.011 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.482 3.643 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.101 4.195 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.697 3.384 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.291 2.592 2.008 1.00 0.00 H new ATOM 840 N GLY A 55 1.298 -1.614 -0.027 1.00 0.00 N ATOM 841 CA GLY A 55 1.260 -3.024 0.346 1.00 0.00 C ATOM 842 C GLY A 55 1.662 -3.979 -0.765 1.00 0.00 C ATOM 843 O GLY A 55 2.390 -4.939 -0.513 1.00 0.00 O ATOM 0 H GLY A 55 0.455 -1.094 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.921 -3.179 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.251 -3.273 0.675 1.00 0.00 H new ATOM 847 N LEU A 56 1.177 -3.743 -1.987 1.00 0.00 N ATOM 848 CA LEU A 56 1.499 -4.620 -3.119 1.00 0.00 C ATOM 849 C LEU A 56 3.005 -4.872 -3.219 1.00 0.00 C ATOM 850 O LEU A 56 3.427 -6.007 -3.434 1.00 0.00 O ATOM 851 CB LEU A 56 0.977 -4.045 -4.438 1.00 0.00 C ATOM 852 CG LEU A 56 -0.492 -3.607 -4.435 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.933 -3.220 -5.838 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.381 -4.708 -3.874 1.00 0.00 C ATOM 0 H LEU A 56 0.566 -2.960 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 56 1.000 -5.572 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.593 -3.187 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.113 -4.793 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.590 -2.733 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.978 -2.911 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.318 -2.395 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.819 -4.075 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.419 -4.376 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.282 -5.604 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.079 -4.934 -2.851 1.00 0.00 H new ATOM 866 N ARG A 57 3.808 -3.817 -3.066 1.00 0.00 N ATOM 867 CA ARG A 57 5.265 -3.954 -3.129 1.00 0.00 C ATOM 868 C ARG A 57 5.786 -4.827 -1.984 1.00 0.00 C ATOM 869 O ARG A 57 6.752 -5.572 -2.152 1.00 0.00 O ATOM 870 CB ARG A 57 5.945 -2.583 -3.087 1.00 0.00 C ATOM 871 CG ARG A 57 5.893 -1.834 -4.410 1.00 0.00 C ATOM 872 CD ARG A 57 7.068 -0.879 -4.555 1.00 0.00 C ATOM 873 NE ARG A 57 8.352 -1.583 -4.561 1.00 0.00 N ATOM 874 CZ ARG A 57 9.535 -0.983 -4.707 1.00 0.00 C ATOM 875 NH1 ARG A 57 9.611 0.336 -4.861 1.00 0.00 N ATOM 876 NH2 ARG A 57 10.649 -1.708 -4.701 1.00 0.00 N ATOM 0 H ARG A 57 3.478 -2.866 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 57 5.508 -4.438 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.470 -1.975 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.987 -2.713 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.899 -2.548 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.959 -1.276 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.962 -0.312 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.053 -0.160 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 57 8.341 -2.596 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.760 0.898 -4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.520 0.785 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.598 -2.720 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.555 -1.252 -4.812 1.00 0.00 H new ATOM 890 N TYR A 58 5.135 -4.723 -0.823 1.00 0.00 N ATOM 891 CA TYR A 58 5.508 -5.506 0.356 1.00 0.00 C ATOM 892 C TYR A 58 5.308 -7.003 0.113 1.00 0.00 C ATOM 893 O TYR A 58 6.202 -7.812 0.368 1.00 0.00 O ATOM 894 CB TYR A 58 4.677 -5.058 1.565 1.00 0.00 C ATOM 895 CG TYR A 58 4.831 -5.941 2.786 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.041 -6.029 3.459 1.00 0.00 C ATOM 897 CD2 TYR A 58 3.760 -6.685 3.264 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.182 -6.832 4.574 1.00 0.00 C ATOM 899 CE2 TYR A 58 3.892 -7.490 4.380 1.00 0.00 C ATOM 900 CZ TYR A 58 5.104 -7.560 5.030 1.00 0.00 C ATOM 901 OH TYR A 58 5.241 -8.359 6.144 1.00 0.00 O ATOM 0 H TYR A 58 4.342 -4.099 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 58 6.565 -5.333 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.961 -4.039 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.625 -5.032 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.888 -5.460 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.809 -6.634 2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.131 -6.889 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.049 -8.061 4.740 1.00 0.00 H new ATOM 0 HH TYR A 58 4.389 -8.804 6.334 1.00 0.00 H new ATOM 911 N LYS A 59 4.121 -7.352 -0.384 1.00 0.00 N ATOM 912 CA LYS A 59 3.766 -8.740 -0.675 1.00 0.00 C ATOM 913 C LYS A 59 4.343 -9.214 -2.014 1.00 0.00 C ATOM 914 O LYS A 59 4.317 -10.411 -2.312 1.00 0.00 O ATOM 915 CB LYS A 59 2.243 -8.888 -0.692 1.00 0.00 C ATOM 916 CG LYS A 59 1.583 -8.599 0.647 1.00 0.00 C ATOM 917 CD LYS A 59 1.970 -9.633 1.694 1.00 0.00 C ATOM 918 CE LYS A 59 1.302 -9.357 3.033 1.00 0.00 C ATOM 919 NZ LYS A 59 1.743 -10.316 4.083 1.00 0.00 N ATOM 0 H LYS A 59 3.381 -6.682 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 59 4.196 -9.362 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.830 -8.214 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.989 -9.902 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.873 -7.606 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.500 -8.590 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.689 -10.627 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.053 -9.634 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.532 -8.340 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.220 -9.417 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.265 -10.093 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.500 -11.285 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.772 -10.241 4.212 1.00 0.00 H new ATOM 933 N LYS A 60 4.857 -8.276 -2.819 1.00 0.00 N ATOM 934 CA LYS A 60 5.433 -8.594 -4.126 1.00 0.00 C ATOM 935 C LYS A 60 4.360 -9.119 -5.080 1.00 0.00 C ATOM 936 O LYS A 60 4.338 -10.304 -5.425 1.00 0.00 O ATOM 937 CB LYS A 60 6.581 -9.603 -3.987 1.00 0.00 C ATOM 938 CG LYS A 60 7.758 -9.081 -3.178 1.00 0.00 C ATOM 939 CD LYS A 60 8.388 -7.861 -3.832 1.00 0.00 C ATOM 940 CE LYS A 60 9.521 -7.297 -2.989 1.00 0.00 C ATOM 941 NZ LYS A 60 10.162 -6.118 -3.637 1.00 0.00 N ATOM 0 H LYS A 60 4.884 -7.284 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 60 5.840 -7.675 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.201 -10.510 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.930 -9.882 -4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.424 -8.824 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.506 -9.867 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.767 -8.131 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.628 -7.094 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.137 -7.009 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.270 -8.071 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.929 -5.763 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.551 -6.398 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.454 -5.369 -3.773 1.00 0.00 H new ATOM 955 N LEU A 61 3.464 -8.221 -5.492 1.00 0.00 N ATOM 956 CA LEU A 61 2.382 -8.578 -6.415 1.00 0.00 C ATOM 957 C LEU A 61 1.675 -7.341 -6.984 1.00 0.00 C ATOM 958 O LEU A 61 0.492 -7.399 -7.321 1.00 0.00 O ATOM 959 CB LEU A 61 1.370 -9.496 -5.716 1.00 0.00 C ATOM 960 CG LEU A 61 1.055 -9.143 -4.255 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.512 -7.727 -4.139 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.068 -10.140 -3.669 1.00 0.00 C ATOM 0 H LEU A 61 3.465 -7.243 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 61 2.831 -9.109 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.440 -9.481 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.748 -10.518 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 61 1.984 -9.196 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.298 -7.504 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.252 -7.021 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.404 -7.639 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.145 -9.876 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.857 -10.119 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.497 -11.142 -3.707 1.00 0.00 H new ATOM 974 N TYR A 62 2.405 -6.231 -7.113 1.00 0.00 N ATOM 975 CA TYR A 62 1.836 -4.991 -7.647 1.00 0.00 C ATOM 976 C TYR A 62 1.329 -5.166 -9.085 1.00 0.00 C ATOM 977 O TYR A 62 0.377 -4.500 -9.496 1.00 0.00 O ATOM 978 CB TYR A 62 2.886 -3.874 -7.597 1.00 0.00 C ATOM 979 CG TYR A 62 2.387 -2.536 -8.101 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.400 -2.234 -9.459 1.00 0.00 C ATOM 981 CD2 TYR A 62 1.906 -1.577 -7.222 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.947 -1.016 -9.923 1.00 0.00 C ATOM 983 CE2 TYR A 62 1.450 -0.356 -7.678 1.00 0.00 C ATOM 984 CZ TYR A 62 1.473 -0.079 -9.029 1.00 0.00 C ATOM 985 OH TYR A 62 1.020 1.136 -9.489 1.00 0.00 O ATOM 0 H TYR A 62 3.390 -6.165 -6.856 1.00 0.00 H new ATOM 0 HA TYR A 62 0.981 -4.724 -7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.230 -3.758 -6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.750 -4.175 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.771 -2.965 -10.162 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.888 -1.789 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.964 -0.798 -10.981 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.077 0.379 -6.980 1.00 0.00 H new ATOM 0 HH TYR A 62 1.105 1.169 -10.465 1.00 0.00 H new ATOM 995 N ASN A 63 1.963 -6.070 -9.838 1.00 0.00 N ATOM 996 CA ASN A 63 1.597 -6.315 -11.235 1.00 0.00 C ATOM 997 C ASN A 63 0.127 -6.730 -11.409 1.00 0.00 C ATOM 998 O ASN A 63 -0.620 -6.057 -12.119 1.00 0.00 O ATOM 999 CB ASN A 63 2.534 -7.360 -11.865 1.00 0.00 C ATOM 1000 CG ASN A 63 2.630 -8.647 -11.062 1.00 0.00 C ATOM 1001 OD1 ASN A 63 3.374 -8.725 -10.084 1.00 0.00 O ATOM 1002 ND2 ASN A 63 1.891 -9.669 -11.482 1.00 0.00 N ATOM 0 H ASN A 63 2.735 -6.646 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 63 1.715 -5.366 -11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.183 -7.593 -12.870 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.530 -6.929 -11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.927 -10.561 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.288 -9.561 -12.297 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.291 -7.828 -10.766 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.671 -8.308 -10.903 1.00 0.00 C ATOM 1011 C GLN A 64 -2.581 -7.835 -9.766 1.00 0.00 C ATOM 1012 O GLN A 64 -3.785 -8.077 -9.817 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.708 -9.841 -11.023 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.068 -10.595 -9.860 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.915 -10.584 -8.598 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.846 -11.377 -8.457 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -1.580 -9.703 -7.662 1.00 0.00 N ATOM 0 H GLN A 64 0.298 -8.393 -10.154 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.061 -7.871 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.747 -10.158 -11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.204 -10.130 -11.945 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.889 -11.627 -10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.096 -10.153 -9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.801 -9.063 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.102 -9.666 -6.786 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.044 -7.169 -8.749 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.876 -6.723 -7.631 1.00 0.00 C ATOM 1028 C ALA A 65 -3.687 -5.477 -7.980 1.00 0.00 C ATOM 1029 O ALA A 65 -4.869 -5.387 -7.646 1.00 0.00 O ATOM 1030 CB ALA A 65 -2.023 -6.472 -6.401 1.00 0.00 C ATOM 0 H ALA A 65 -1.056 -6.928 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.585 -7.523 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.658 -6.141 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.513 -7.393 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.284 -5.702 -6.622 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.051 -4.523 -8.655 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.715 -3.278 -9.035 1.00 0.00 C ATOM 1038 C ARG A 66 -4.710 -3.479 -10.185 1.00 0.00 C ATOM 1039 O ARG A 66 -5.697 -2.748 -10.285 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.675 -2.227 -9.429 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.212 -0.806 -9.412 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.172 0.190 -9.899 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.972 0.111 -11.347 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.422 1.082 -12.079 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.010 2.211 -11.507 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -1.282 0.922 -13.390 1.00 0.00 N ATOM 0 H ARG A 66 -2.077 -4.588 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.279 -2.934 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.826 -2.294 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.301 -2.454 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.099 -0.744 -10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.521 -0.545 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.483 1.200 -9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.226 0.003 -9.392 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.271 -0.738 -11.826 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.113 2.340 -10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.591 2.947 -12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.594 0.059 -13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.862 1.662 -13.952 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.455 -4.469 -11.046 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.334 -4.735 -12.188 1.00 0.00 C ATOM 1062 C VAL A 67 -6.423 -5.762 -11.858 1.00 0.00 C ATOM 1063 O VAL A 67 -7.580 -5.588 -12.247 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.540 -5.215 -13.427 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.578 -4.134 -13.900 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.790 -6.509 -13.137 1.00 0.00 C ATOM 0 H VAL A 67 -3.653 -5.095 -10.975 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.813 -3.784 -12.419 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.256 -5.415 -14.224 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.030 -4.491 -14.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.139 -3.239 -14.166 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.875 -3.897 -13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.243 -6.820 -14.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.089 -6.348 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.501 -7.287 -12.859 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.055 -6.824 -11.140 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.008 -7.877 -10.777 1.00 0.00 C ATOM 1078 C LYS A 68 -7.990 -7.398 -9.706 1.00 0.00 C ATOM 1079 O LYS A 68 -9.163 -7.773 -9.724 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.266 -9.122 -10.288 1.00 0.00 C ATOM 1081 CG LYS A 68 -7.128 -10.371 -10.240 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.302 -11.603 -9.913 1.00 0.00 C ATOM 1083 CE LYS A 68 -7.065 -12.883 -10.213 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.290 -14.096 -9.831 1.00 0.00 N ATOM 0 H LYS A 68 -5.106 -6.979 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.579 -8.129 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.413 -9.305 -10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.868 -8.928 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.910 -10.246 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.625 -10.509 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.378 -11.586 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.021 -11.584 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.013 -12.874 -9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.301 -12.924 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.846 -14.947 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.396 -14.119 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.086 -14.071 -8.811 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.506 -6.576 -8.774 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.347 -6.045 -7.703 1.00 0.00 C ATOM 1100 C TYR A 69 -8.680 -4.575 -7.952 1.00 0.00 C ATOM 1101 O TYR A 69 -8.040 -3.915 -8.774 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.652 -6.211 -6.349 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.537 -7.652 -5.900 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.557 -8.487 -6.422 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.411 -8.175 -4.956 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.451 -9.803 -6.015 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.311 -9.490 -4.544 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.331 -10.299 -5.075 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.231 -11.609 -4.664 1.00 0.00 O ATOM 0 H TYR A 69 -6.535 -6.264 -8.740 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.280 -6.609 -7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.654 -5.776 -6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.202 -5.647 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.867 -8.101 -7.158 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.181 -7.544 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.684 -10.440 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.998 -9.882 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.925 -11.797 -3.998 1.00 0.00 H new ATOM 1119 N SER A 70 -9.685 -4.066 -7.236 1.00 0.00 N ATOM 1120 CA SER A 70 -10.107 -2.675 -7.387 1.00 0.00 C ATOM 1121 C SER A 70 -9.245 -1.739 -6.539 1.00 0.00 C ATOM 1122 O SER A 70 -9.531 -1.511 -5.361 1.00 0.00 O ATOM 1123 CB SER A 70 -11.584 -2.521 -7.008 1.00 0.00 C ATOM 1124 OG SER A 70 -12.041 -1.202 -7.252 1.00 0.00 O ATOM 0 H SER A 70 -10.220 -4.596 -6.548 1.00 0.00 H new ATOM 0 HA SER A 70 -9.978 -2.398 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.185 -3.228 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.719 -2.767 -5.955 1.00 0.00 H new ATOM 0 HG SER A 70 -12.986 -1.132 -7.003 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.179 -1.214 -7.145 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.274 -0.290 -6.462 1.00 0.00 C ATOM 1132 C LEU A 71 -7.138 1.005 -7.264 1.00 0.00 C ATOM 1133 O LEU A 71 -7.700 2.035 -6.887 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.896 -0.934 -6.248 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.848 -2.060 -5.207 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.501 -3.325 -5.742 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.412 -2.339 -4.793 1.00 0.00 C ATOM 0 H LEU A 71 -7.921 -1.414 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.695 -0.056 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.547 -1.330 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.193 -0.156 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.408 -1.734 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.453 -4.107 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.543 -3.121 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.975 -3.655 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.395 -3.140 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.833 -2.639 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.976 -1.438 -4.361 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.391 0.947 -8.370 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.191 2.112 -9.231 1.00 0.00 C ATOM 1151 C LEU A 72 -6.524 1.764 -10.683 1.00 0.00 C ATOM 1152 O LEU A 72 -7.603 2.096 -11.175 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.748 2.630 -9.127 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.410 3.431 -7.863 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.412 4.555 -7.648 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.349 2.518 -6.645 1.00 0.00 C ATOM 0 H LEU A 72 -5.915 0.103 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.863 2.902 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.072 1.777 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.545 3.257 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.426 3.880 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.151 5.108 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.393 5.229 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.412 4.135 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.108 3.107 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.315 2.032 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.580 1.760 -6.797 1.00 0.00 H new ATOM 1168 N GLU A 73 -5.589 1.093 -11.361 1.00 0.00 N ATOM 1169 CA GLU A 73 -5.782 0.690 -12.752 1.00 0.00 C ATOM 1170 C GLU A 73 -5.624 -0.823 -12.897 1.00 0.00 C ATOM 1171 O GLU A 73 -4.487 -1.319 -12.745 1.00 0.00 O ATOM 1172 CB GLU A 73 -4.789 1.415 -13.671 1.00 0.00 C ATOM 1173 CG GLU A 73 -5.092 2.894 -13.868 1.00 0.00 C ATOM 1174 CD GLU A 73 -4.826 3.726 -12.626 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -3.660 3.772 -12.178 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -5.784 4.333 -12.102 1.00 0.00 O ATOM 0 H GLU A 73 -4.690 0.818 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.794 0.967 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.786 1.312 -13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.785 0.923 -14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.488 3.276 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.136 3.009 -14.159 1.00 0.00 H new TER 1183 GLU A 73