USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 31 THR OG1 : rot 149:sc= 0.854 USER MOD Set 1.2: A 46 THR OG1 : rot 101:sc= 0.995 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 162:sc= 2.49 (180deg=1.03) USER MOD Set 2.2: A 51 SER OG : rot 137:sc= 1.05 USER MOD Set 2.3: A 53 THR OG1 : rot -130:sc= 0.652 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0648 (180deg=-0.45) USER MOD Single : A 5 GLN : amide:sc= 0.36 K(o=0.36,f=-3.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 GLN : amide:sc= 1.18 K(o=1.2,f=-0.46) USER MOD Single : A -9 HIS : no HE2:sc= 0.0451 K(o=0.045,f=-4.8!) USER MOD Single : A 10 CYS SG : rot -7:sc= -1.45! USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 GLN : amide:sc= 0.505 K(o=0.51,f=-0.54) USER MOD Single : A 26 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.078) USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=-0.59) USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= 0.423 (180deg=-0.625) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -107:sc= 1.16 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 32:sc= 0.0593 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl 160:sc= -0.099 (180deg=-0.589) USER MOD Single : A -14 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 51.096 21.383 49.350 1.00 0.00 N ATOM 2 CA MET A -14 50.170 21.427 48.210 1.00 0.00 C ATOM 3 C MET A -14 50.878 21.989 46.992 1.00 0.00 C ATOM 4 O MET A -14 51.096 23.200 46.893 1.00 0.00 O ATOM 5 CB MET A -14 48.945 22.283 48.550 1.00 0.00 C ATOM 6 CG MET A -14 47.895 22.327 47.451 1.00 0.00 C ATOM 7 SD MET A -14 47.160 20.715 47.116 1.00 0.00 S ATOM 8 CE MET A -14 46.361 20.369 48.685 1.00 0.00 C ATOM 0 H1 MET A -14 50.605 20.997 50.181 1.00 0.00 H new ATOM 0 H2 MET A -14 51.908 20.777 49.115 1.00 0.00 H new ATOM 0 H3 MET A -14 51.432 22.344 49.562 1.00 0.00 H new ATOM 0 HA MET A -14 49.834 20.413 47.991 1.00 0.00 H new ATOM 0 HB2 MET A -14 48.487 21.897 49.461 1.00 0.00 H new ATOM 0 HB3 MET A -14 49.274 23.300 48.765 1.00 0.00 H new ATOM 0 HG2 MET A -14 47.109 23.027 47.735 1.00 0.00 H new ATOM 0 HG3 MET A -14 48.349 22.710 46.537 1.00 0.00 H new ATOM 0 HE1 MET A -14 45.589 19.613 48.541 1.00 0.00 H new ATOM 0 HE2 MET A -14 47.100 20.002 49.397 1.00 0.00 H new ATOM 0 HE3 MET A -14 45.907 21.282 49.071 1.00 0.00 H new ATOM 20 N ALA A -13 51.253 21.111 46.077 1.00 0.00 N ATOM 21 CA ALA A -13 51.953 21.515 44.868 1.00 0.00 C ATOM 22 C ALA A -13 51.101 22.463 44.038 1.00 0.00 C ATOM 23 O ALA A -13 49.943 22.163 43.725 1.00 0.00 O ATOM 24 CB ALA A -13 52.343 20.293 44.049 1.00 0.00 C ATOM 0 H ALA A -13 51.083 20.108 46.149 1.00 0.00 H new ATOM 0 HA ALA A -13 52.860 22.044 45.160 1.00 0.00 H new ATOM 0 HB1 ALA A -13 52.866 20.611 43.147 1.00 0.00 H new ATOM 0 HB2 ALA A -13 52.997 19.652 44.641 1.00 0.00 H new ATOM 0 HB3 ALA A -13 51.446 19.739 43.772 1.00 0.00 H new ATOM 30 N SER A -12 51.663 23.607 43.706 1.00 0.00 N ATOM 31 CA SER A -12 50.966 24.585 42.904 1.00 0.00 C ATOM 32 C SER A -12 50.997 24.161 41.439 1.00 0.00 C ATOM 33 O SER A -12 51.827 23.330 41.051 1.00 0.00 O ATOM 34 CB SER A -12 51.595 25.973 43.086 1.00 0.00 C ATOM 35 OG SER A -12 50.762 26.989 42.545 1.00 0.00 O ATOM 0 H SER A -12 52.606 23.881 43.982 1.00 0.00 H new ATOM 0 HA SER A -12 49.927 24.643 43.230 1.00 0.00 H new ATOM 0 HB2 SER A -12 51.763 26.163 44.146 1.00 0.00 H new ATOM 0 HB3 SER A -12 52.570 26.000 42.599 1.00 0.00 H new ATOM 0 HG SER A -12 51.185 27.863 42.676 1.00 0.00 H new ATOM 41 N TRP A -11 50.091 24.730 40.643 1.00 0.00 N ATOM 42 CA TRP A -11 49.946 24.388 39.230 1.00 0.00 C ATOM 43 C TRP A -11 49.357 22.991 39.057 1.00 0.00 C ATOM 44 O TRP A -11 49.941 21.989 39.479 1.00 0.00 O ATOM 45 CB TRP A -11 51.275 24.520 38.450 1.00 0.00 C ATOM 46 CG TRP A -11 51.271 23.752 37.158 1.00 0.00 C ATOM 47 CD1 TRP A -11 51.995 22.629 36.873 1.00 0.00 C ATOM 48 CD2 TRP A -11 50.484 24.028 35.993 1.00 0.00 C ATOM 49 NE1 TRP A -11 51.709 22.193 35.606 1.00 0.00 N ATOM 50 CE2 TRP A -11 50.783 23.032 35.044 1.00 0.00 C ATOM 51 CE3 TRP A -11 49.555 25.017 35.659 1.00 0.00 C ATOM 52 CZ2 TRP A -11 50.190 22.996 33.791 1.00 0.00 C ATOM 53 CZ3 TRP A -11 48.965 24.981 34.410 1.00 0.00 C ATOM 54 CH2 TRP A -11 49.284 23.975 33.491 1.00 0.00 C ATOM 0 H TRP A -11 49.436 25.443 40.962 1.00 0.00 H new ATOM 0 HA TRP A -11 49.251 25.112 38.806 1.00 0.00 H new ATOM 0 HB2 TRP A -11 51.465 25.573 38.241 1.00 0.00 H new ATOM 0 HB3 TRP A -11 52.095 24.166 39.075 1.00 0.00 H new ATOM 0 HD1 TRP A -11 52.691 22.154 37.548 1.00 0.00 H new ATOM 0 HE1 TRP A -11 52.119 21.376 35.154 1.00 0.00 H new ATOM 0 HE3 TRP A -11 49.303 25.795 36.364 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 50.435 22.223 33.078 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 48.247 25.741 34.139 1.00 0.00 H new ATOM 0 HH2 TRP A -11 48.804 23.972 32.524 1.00 0.00 H new ATOM 65 N SER A -10 48.207 22.932 38.443 1.00 0.00 N ATOM 66 CA SER A -10 47.559 21.678 38.187 1.00 0.00 C ATOM 67 C SER A -10 47.473 21.422 36.693 1.00 0.00 C ATOM 68 O SER A -10 47.133 22.323 35.918 1.00 0.00 O ATOM 69 CB SER A -10 46.174 21.667 38.824 1.00 0.00 C ATOM 70 OG SER A -10 46.263 21.913 40.220 1.00 0.00 O ATOM 0 H SER A -10 47.696 23.749 38.108 1.00 0.00 H new ATOM 0 HA SER A -10 48.148 20.876 38.632 1.00 0.00 H new ATOM 0 HB2 SER A -10 45.546 22.425 38.355 1.00 0.00 H new ATOM 0 HB3 SER A -10 45.695 20.704 38.649 1.00 0.00 H new ATOM 0 HG SER A -10 45.365 21.904 40.612 1.00 0.00 H new ATOM 76 N HIS A -9 47.811 20.204 36.293 1.00 0.00 N ATOM 77 CA HIS A -9 47.783 19.807 34.889 1.00 0.00 C ATOM 78 C HIS A -9 46.385 19.994 34.290 1.00 0.00 C ATOM 79 O HIS A -9 45.384 19.795 34.980 1.00 0.00 O ATOM 80 CB HIS A -9 48.258 18.339 34.725 1.00 0.00 C ATOM 81 CG HIS A -9 47.366 17.284 35.356 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.362 15.969 34.950 1.00 0.00 N ATOM 83 CD2 HIS A -9 46.461 17.357 36.370 1.00 0.00 C ATOM 84 CE1 HIS A -9 46.501 15.283 35.674 1.00 0.00 C ATOM 85 NE2 HIS A -9 45.941 16.101 36.544 1.00 0.00 N ATOM 0 H HIS A -9 48.111 19.465 36.928 1.00 0.00 H new ATOM 0 HA HIS A -9 48.471 20.454 34.344 1.00 0.00 H new ATOM 0 HB2 HIS A -9 48.349 18.123 33.661 1.00 0.00 H new ATOM 0 HB3 HIS A -9 49.256 18.249 35.155 1.00 0.00 H new ATOM 0 HD1 HIS A -9 47.938 15.584 34.202 1.00 0.00 H new ATOM 0 HD2 HIS A -9 46.201 18.241 36.933 1.00 0.00 H new ATOM 0 HE1 HIS A -9 46.290 14.229 35.572 1.00 0.00 H new ATOM 93 N PRO A -8 46.303 20.407 33.006 1.00 0.00 N ATOM 94 CA PRO A -8 45.018 20.585 32.310 1.00 0.00 C ATOM 95 C PRO A -8 44.129 19.356 32.470 1.00 0.00 C ATOM 96 O PRO A -8 43.017 19.445 32.985 1.00 0.00 O ATOM 97 CB PRO A -8 45.439 20.761 30.851 1.00 0.00 C ATOM 98 CG PRO A -8 46.800 21.360 30.931 1.00 0.00 C ATOM 99 CD PRO A -8 47.450 20.754 32.143 1.00 0.00 C ATOM 0 HA PRO A -8 44.436 21.421 32.698 1.00 0.00 H new ATOM 0 HB2 PRO A -8 45.454 19.807 30.324 1.00 0.00 H new ATOM 0 HB3 PRO A -8 44.749 21.411 30.313 1.00 0.00 H new ATOM 0 HG2 PRO A -8 47.375 21.143 30.031 1.00 0.00 H new ATOM 0 HG3 PRO A -8 46.744 22.445 31.020 1.00 0.00 H new ATOM 0 HD2 PRO A -8 48.040 19.875 31.886 1.00 0.00 H new ATOM 0 HD3 PRO A -8 48.123 21.458 32.633 1.00 0.00 H new ATOM 107 N GLN A -7 44.647 18.216 32.043 1.00 0.00 N ATOM 108 CA GLN A -7 43.966 16.943 32.184 1.00 0.00 C ATOM 109 C GLN A -7 44.876 15.824 31.711 1.00 0.00 C ATOM 110 O GLN A -7 45.869 15.519 32.368 1.00 0.00 O ATOM 111 CB GLN A -7 42.610 16.927 31.439 1.00 0.00 C ATOM 112 CG GLN A -7 41.778 15.668 31.686 1.00 0.00 C ATOM 113 CD GLN A -7 40.400 15.743 31.064 1.00 0.00 C ATOM 114 OE1 GLN A -7 40.196 16.408 30.049 1.00 0.00 O ATOM 115 NE2 GLN A -7 39.455 15.042 31.649 1.00 0.00 N ATOM 0 H GLN A -7 45.557 18.149 31.587 1.00 0.00 H new ATOM 0 HA GLN A -7 43.738 16.789 33.239 1.00 0.00 H new ATOM 0 HB2 GLN A -7 42.030 17.798 31.743 1.00 0.00 H new ATOM 0 HB3 GLN A -7 42.794 17.024 30.369 1.00 0.00 H new ATOM 0 HG2 GLN A -7 42.307 14.804 31.283 1.00 0.00 H new ATOM 0 HG3 GLN A -7 41.679 15.509 32.760 1.00 0.00 H new ATOM 0 HE21 GLN A -7 39.665 14.504 32.489 1.00 0.00 H new ATOM 0 HE22 GLN A -7 38.511 15.036 31.263 1.00 0.00 H new ATOM 124 N PHE A -6 44.559 15.246 30.553 1.00 0.00 N ATOM 125 CA PHE A -6 45.334 14.148 29.968 1.00 0.00 C ATOM 126 C PHE A -6 45.497 13.000 30.968 1.00 0.00 C ATOM 127 O PHE A -6 46.426 12.213 30.876 1.00 0.00 O ATOM 128 CB PHE A -6 46.712 14.638 29.491 1.00 0.00 C ATOM 129 CG PHE A -6 46.685 16.001 28.853 1.00 0.00 C ATOM 130 CD1 PHE A -6 46.000 16.220 27.669 1.00 0.00 C ATOM 131 CD2 PHE A -6 47.336 17.066 29.455 1.00 0.00 C ATOM 132 CE1 PHE A -6 45.968 17.478 27.096 1.00 0.00 C ATOM 133 CE2 PHE A -6 47.304 18.323 28.889 1.00 0.00 C ATOM 134 CZ PHE A -6 46.621 18.530 27.710 1.00 0.00 C ATOM 0 H PHE A -6 43.755 15.526 29.991 1.00 0.00 H new ATOM 0 HA PHE A -6 44.783 13.778 29.104 1.00 0.00 H new ATOM 0 HB2 PHE A -6 47.394 14.658 30.341 1.00 0.00 H new ATOM 0 HB3 PHE A -6 47.115 13.920 28.776 1.00 0.00 H new ATOM 0 HD1 PHE A -6 45.486 15.400 27.189 1.00 0.00 H new ATOM 0 HD2 PHE A -6 47.875 16.910 30.378 1.00 0.00 H new ATOM 0 HE1 PHE A -6 45.434 17.638 26.171 1.00 0.00 H new ATOM 0 HE2 PHE A -6 47.814 19.145 29.369 1.00 0.00 H new ATOM 0 HZ PHE A -6 46.596 19.514 27.266 1.00 0.00 H new ATOM 144 N GLU A -5 44.568 12.908 31.902 1.00 0.00 N ATOM 145 CA GLU A -5 44.608 11.899 32.945 1.00 0.00 C ATOM 146 C GLU A -5 44.661 10.496 32.350 1.00 0.00 C ATOM 147 O GLU A -5 44.038 10.234 31.307 1.00 0.00 O ATOM 148 CB GLU A -5 43.385 12.046 33.839 1.00 0.00 C ATOM 149 CG GLU A -5 42.074 11.877 33.097 1.00 0.00 C ATOM 150 CD GLU A -5 40.876 12.252 33.936 1.00 0.00 C ATOM 151 OE1 GLU A -5 40.758 11.751 35.073 1.00 0.00 O ATOM 152 OE2 GLU A -5 40.041 13.044 33.463 1.00 0.00 O ATOM 0 H GLU A -5 43.763 13.532 31.959 1.00 0.00 H new ATOM 0 HA GLU A -5 45.512 12.045 33.537 1.00 0.00 H new ATOM 0 HB2 GLU A -5 43.439 11.308 34.640 1.00 0.00 H new ATOM 0 HB3 GLU A -5 43.404 13.029 34.309 1.00 0.00 H new ATOM 0 HG2 GLU A -5 42.089 12.492 32.197 1.00 0.00 H new ATOM 0 HG3 GLU A -5 41.976 10.841 32.773 1.00 0.00 H new ATOM 159 N LYS A -4 45.435 9.614 33.000 1.00 0.00 N ATOM 160 CA LYS A -4 45.589 8.207 32.585 1.00 0.00 C ATOM 161 C LYS A -4 46.489 8.066 31.353 1.00 0.00 C ATOM 162 O LYS A -4 47.319 7.158 31.281 1.00 0.00 O ATOM 163 CB LYS A -4 44.217 7.557 32.324 1.00 0.00 C ATOM 164 CG LYS A -4 43.318 7.502 33.551 1.00 0.00 C ATOM 165 CD LYS A -4 41.848 7.375 33.172 1.00 0.00 C ATOM 166 CE LYS A -4 41.575 6.134 32.335 1.00 0.00 C ATOM 167 NZ LYS A -4 40.129 5.980 32.033 1.00 0.00 N ATOM 0 H LYS A -4 45.975 9.855 33.831 1.00 0.00 H new ATOM 0 HA LYS A -4 46.074 7.683 33.409 1.00 0.00 H new ATOM 0 HB2 LYS A -4 43.707 8.112 31.536 1.00 0.00 H new ATOM 0 HB3 LYS A -4 44.371 6.544 31.952 1.00 0.00 H new ATOM 0 HG2 LYS A -4 43.607 6.656 34.175 1.00 0.00 H new ATOM 0 HG3 LYS A -4 43.463 8.402 34.148 1.00 0.00 H new ATOM 0 HD2 LYS A -4 41.243 7.340 34.078 1.00 0.00 H new ATOM 0 HD3 LYS A -4 41.540 8.261 32.616 1.00 0.00 H new ATOM 0 HE2 LYS A -4 42.137 6.193 31.403 1.00 0.00 H new ATOM 0 HE3 LYS A -4 41.931 5.252 32.866 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 39.983 5.124 31.461 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 39.596 5.898 32.922 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 39.794 6.811 31.504 1.00 0.00 H new ATOM 181 N ILE A -3 46.333 8.970 30.405 1.00 0.00 N ATOM 182 CA ILE A -3 47.085 8.922 29.163 1.00 0.00 C ATOM 183 C ILE A -3 48.437 9.636 29.258 1.00 0.00 C ATOM 184 O ILE A -3 49.287 9.484 28.368 1.00 0.00 O ATOM 185 CB ILE A -3 46.261 9.485 27.986 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.708 10.871 28.308 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.134 8.529 27.633 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.960 11.511 27.160 1.00 0.00 C ATOM 0 H ILE A -3 45.685 9.755 30.472 1.00 0.00 H new ATOM 0 HA ILE A -3 47.291 7.868 28.975 1.00 0.00 H new ATOM 0 HB ILE A -3 46.923 9.585 27.126 1.00 0.00 H new ATOM 0 HG12 ILE A -3 45.041 10.795 29.167 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.532 11.522 28.601 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.559 8.936 26.801 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.552 7.564 27.347 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.482 8.401 28.497 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.597 12.493 27.464 1.00 0.00 H new ATOM 0 HD12 ILE A -3 45.628 11.620 26.306 1.00 0.00 H new ATOM 0 HD13 ILE A -3 44.114 10.882 26.881 1.00 0.00 H new ATOM 200 N GLU A -2 48.639 10.396 30.337 1.00 0.00 N ATOM 201 CA GLU A -2 49.900 11.114 30.563 1.00 0.00 C ATOM 202 C GLU A -2 51.093 10.167 30.539 1.00 0.00 C ATOM 203 O GLU A -2 51.112 9.159 31.251 1.00 0.00 O ATOM 204 CB GLU A -2 49.887 11.854 31.905 1.00 0.00 C ATOM 205 CG GLU A -2 49.000 13.083 31.944 1.00 0.00 C ATOM 206 CD GLU A -2 48.999 13.752 33.299 1.00 0.00 C ATOM 207 OE1 GLU A -2 48.647 13.088 34.295 1.00 0.00 O ATOM 208 OE2 GLU A -2 49.347 14.952 33.381 1.00 0.00 O ATOM 0 H GLU A -2 47.944 10.532 31.071 1.00 0.00 H new ATOM 0 HA GLU A -2 49.997 11.835 29.752 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.561 11.163 32.682 1.00 0.00 H new ATOM 0 HB3 GLU A -2 50.907 12.151 32.150 1.00 0.00 H new ATOM 0 HG2 GLU A -2 49.338 13.795 31.191 1.00 0.00 H new ATOM 0 HG3 GLU A -2 47.981 12.800 31.681 1.00 0.00 H new ATOM 215 N GLY A -1 52.066 10.480 29.707 1.00 0.00 N ATOM 216 CA GLY A -1 53.282 9.693 29.651 1.00 0.00 C ATOM 217 C GLY A -1 53.218 8.573 28.636 1.00 0.00 C ATOM 218 O GLY A -1 54.239 8.186 28.068 1.00 0.00 O ATOM 0 H GLY A -1 52.039 11.270 29.063 1.00 0.00 H new ATOM 0 HA2 GLY A -1 54.120 10.347 29.409 1.00 0.00 H new ATOM 0 HA3 GLY A -1 53.481 9.271 30.636 1.00 0.00 H new ATOM 222 N ARG A 0 52.031 8.053 28.399 1.00 0.00 N ATOM 223 CA ARG A 0 51.859 6.954 27.461 1.00 0.00 C ATOM 224 C ARG A 0 51.688 7.500 26.070 1.00 0.00 C ATOM 225 O ARG A 0 52.438 7.156 25.156 1.00 0.00 O ATOM 226 CB ARG A 0 50.655 6.106 27.854 1.00 0.00 C ATOM 227 CG ARG A 0 50.597 5.822 29.334 1.00 0.00 C ATOM 228 CD ARG A 0 51.859 5.113 29.814 1.00 0.00 C ATOM 229 NE ARG A 0 52.012 5.175 31.266 1.00 0.00 N ATOM 230 CZ ARG A 0 53.190 5.301 31.891 1.00 0.00 C ATOM 231 NH1 ARG A 0 54.319 5.355 31.190 1.00 0.00 N ATOM 232 NH2 ARG A 0 53.237 5.373 33.213 1.00 0.00 N ATOM 0 H ARG A 0 51.169 8.371 28.841 1.00 0.00 H new ATOM 0 HA ARG A 0 52.745 6.320 27.486 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.742 6.618 27.551 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.687 5.163 27.309 1.00 0.00 H new ATOM 0 HG2 ARG A 0 50.473 6.757 29.881 1.00 0.00 H new ATOM 0 HG3 ARG A 0 49.725 5.206 29.554 1.00 0.00 H new ATOM 0 HD2 ARG A 0 51.830 4.070 29.498 1.00 0.00 H new ATOM 0 HD3 ARG A 0 52.730 5.565 29.340 1.00 0.00 H new ATOM 0 HE ARG A 0 51.170 5.119 31.839 1.00 0.00 H new ATOM 0 HH11 ARG A 0 54.290 5.300 30.172 1.00 0.00 H new ATOM 0 HH12 ARG A 0 55.214 5.451 31.671 1.00 0.00 H new ATOM 0 HH21 ARG A 0 52.375 5.332 33.757 1.00 0.00 H new ATOM 0 HH22 ARG A 0 54.135 5.469 33.687 1.00 0.00 H new ATOM 246 N MET A 1 50.714 8.368 25.916 1.00 0.00 N ATOM 247 CA MET A 1 50.480 9.007 24.653 1.00 0.00 C ATOM 248 C MET A 1 50.647 10.510 24.797 1.00 0.00 C ATOM 249 O MET A 1 49.982 11.147 25.614 1.00 0.00 O ATOM 250 CB MET A 1 49.099 8.647 24.082 1.00 0.00 C ATOM 251 CG MET A 1 47.935 8.923 25.017 1.00 0.00 C ATOM 252 SD MET A 1 46.332 8.646 24.235 1.00 0.00 S ATOM 253 CE MET A 1 46.433 6.901 23.838 1.00 0.00 C ATOM 0 H MET A 1 50.071 8.645 26.658 1.00 0.00 H new ATOM 0 HA MET A 1 51.219 8.641 23.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.946 9.205 23.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.094 7.589 23.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.021 8.284 25.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.991 9.954 25.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.441 6.528 23.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.104 6.759 22.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.816 6.353 24.699 1.00 0.00 H new ATOM 263 N ASP A 2 51.564 11.067 24.031 1.00 0.00 N ATOM 264 CA ASP A 2 51.852 12.489 24.096 1.00 0.00 C ATOM 265 C ASP A 2 52.202 13.008 22.710 1.00 0.00 C ATOM 266 O ASP A 2 52.401 12.217 21.783 1.00 0.00 O ATOM 267 CB ASP A 2 53.011 12.739 25.069 1.00 0.00 C ATOM 268 CG ASP A 2 53.121 14.188 25.491 1.00 0.00 C ATOM 269 OD1 ASP A 2 52.269 14.644 26.283 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.056 14.871 25.039 1.00 0.00 O ATOM 0 H ASP A 2 52.126 10.554 23.352 1.00 0.00 H new ATOM 0 HA ASP A 2 50.971 13.020 24.456 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.877 12.117 25.954 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.945 12.430 24.601 1.00 0.00 H new ATOM 275 N VAL A 3 52.280 14.323 22.564 1.00 0.00 N ATOM 276 CA VAL A 3 52.605 14.934 21.283 1.00 0.00 C ATOM 277 C VAL A 3 53.993 14.500 20.804 1.00 0.00 C ATOM 278 O VAL A 3 55.001 14.737 21.471 1.00 0.00 O ATOM 279 CB VAL A 3 52.509 16.485 21.338 1.00 0.00 C ATOM 280 CG1 VAL A 3 51.063 16.916 21.528 1.00 0.00 C ATOM 281 CG2 VAL A 3 53.380 17.056 22.453 1.00 0.00 C ATOM 0 H VAL A 3 52.122 14.989 23.320 1.00 0.00 H new ATOM 0 HA VAL A 3 51.864 14.583 20.565 1.00 0.00 H new ATOM 0 HB VAL A 3 52.877 16.878 20.390 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.010 18.004 21.565 1.00 0.00 H new ATOM 0 HG12 VAL A 3 50.462 16.551 20.695 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.679 16.502 22.461 1.00 0.00 H new ATOM 0 HG21 VAL A 3 53.290 18.142 22.465 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.053 16.655 23.412 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.420 16.780 22.280 1.00 0.00 H new ATOM 291 N GLY A 4 54.033 13.855 19.660 1.00 0.00 N ATOM 292 CA GLY A 4 55.284 13.356 19.137 1.00 0.00 C ATOM 293 C GLY A 4 55.321 11.840 19.111 1.00 0.00 C ATOM 294 O GLY A 4 56.127 11.244 18.395 1.00 0.00 O ATOM 0 H GLY A 4 53.218 13.664 19.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.435 13.740 18.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.107 13.729 19.747 1.00 0.00 H new ATOM 298 N GLN A 5 54.446 11.217 19.887 1.00 0.00 N ATOM 299 CA GLN A 5 54.369 9.763 19.931 1.00 0.00 C ATOM 300 C GLN A 5 53.530 9.235 18.782 1.00 0.00 C ATOM 301 O GLN A 5 52.761 9.980 18.171 1.00 0.00 O ATOM 302 CB GLN A 5 53.797 9.284 21.268 1.00 0.00 C ATOM 303 CG GLN A 5 54.833 8.652 22.183 1.00 0.00 C ATOM 304 CD GLN A 5 55.463 7.408 21.573 1.00 0.00 C ATOM 305 OE1 GLN A 5 54.836 6.694 20.796 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.698 7.143 21.922 1.00 0.00 N ATOM 0 H GLN A 5 53.780 11.694 20.494 1.00 0.00 H new ATOM 0 HA GLN A 5 55.382 9.372 19.831 1.00 0.00 H new ATOM 0 HB2 GLN A 5 53.339 10.130 21.781 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.005 8.560 21.076 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.613 9.381 22.402 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.365 8.391 23.132 1.00 0.00 H new ATOM 0 HE21 GLN A 5 57.188 7.759 22.570 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.169 6.321 21.545 1.00 0.00 H new ATOM 315 N LYS A 6 53.671 7.958 18.494 1.00 0.00 N ATOM 316 CA LYS A 6 52.946 7.340 17.402 1.00 0.00 C ATOM 317 C LYS A 6 51.835 6.458 17.936 1.00 0.00 C ATOM 318 O LYS A 6 52.013 5.742 18.924 1.00 0.00 O ATOM 319 CB LYS A 6 53.887 6.509 16.531 1.00 0.00 C ATOM 320 CG LYS A 6 55.074 7.281 15.981 1.00 0.00 C ATOM 321 CD LYS A 6 56.006 6.376 15.188 1.00 0.00 C ATOM 322 CE LYS A 6 55.353 5.866 13.911 1.00 0.00 C ATOM 323 NZ LYS A 6 56.295 5.056 13.096 1.00 0.00 N ATOM 0 H LYS A 6 54.285 7.324 19.004 1.00 0.00 H new ATOM 0 HA LYS A 6 52.511 8.133 16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.256 5.667 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.320 6.094 15.697 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.719 8.090 15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.623 7.741 16.803 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.915 6.922 14.937 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.303 5.529 15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.481 5.264 14.164 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.997 6.711 13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 55.814 4.726 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.116 5.638 12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.615 4.236 13.649 1.00 0.00 H new ATOM 337 N VAL A 7 50.696 6.510 17.289 1.00 0.00 N ATOM 338 CA VAL A 7 49.559 5.710 17.682 1.00 0.00 C ATOM 339 C VAL A 7 48.926 5.044 16.479 1.00 0.00 C ATOM 340 O VAL A 7 48.926 5.593 15.373 1.00 0.00 O ATOM 341 CB VAL A 7 48.485 6.537 18.435 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.941 6.860 19.848 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.159 7.813 17.676 1.00 0.00 C ATOM 0 H VAL A 7 50.530 7.106 16.478 1.00 0.00 H new ATOM 0 HA VAL A 7 49.939 4.950 18.365 1.00 0.00 H new ATOM 0 HB VAL A 7 47.580 5.934 18.499 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.170 7.441 20.355 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.116 5.933 20.395 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.864 7.438 19.809 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.403 8.378 18.222 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.061 8.417 17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.779 7.561 16.686 1.00 0.00 H new ATOM 353 N ARG A 8 48.404 3.866 16.694 1.00 0.00 N ATOM 354 CA ARG A 8 47.746 3.122 15.649 1.00 0.00 C ATOM 355 C ARG A 8 46.301 2.895 16.023 1.00 0.00 C ATOM 356 O ARG A 8 45.988 2.620 17.185 1.00 0.00 O ATOM 357 CB ARG A 8 48.442 1.781 15.431 1.00 0.00 C ATOM 358 CG ARG A 8 47.828 0.934 14.327 1.00 0.00 C ATOM 359 CD ARG A 8 48.531 -0.401 14.210 1.00 0.00 C ATOM 360 NE ARG A 8 48.044 -1.196 13.086 1.00 0.00 N ATOM 361 CZ ARG A 8 47.983 -2.532 13.081 1.00 0.00 C ATOM 362 NH1 ARG A 8 48.335 -3.224 14.168 1.00 0.00 N ATOM 363 NH2 ARG A 8 47.571 -3.174 11.992 1.00 0.00 N ATOM 0 H ARG A 8 48.422 3.394 17.598 1.00 0.00 H new ATOM 0 HA ARG A 8 47.796 3.694 14.723 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.490 1.962 15.194 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.419 1.216 16.363 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.770 0.774 14.533 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.891 1.466 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.602 -0.234 14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.393 -0.962 15.134 1.00 0.00 H new ATOM 0 HE ARG A 8 47.730 -0.701 12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 8 48.651 -2.734 15.005 1.00 0.00 H new ATOM 0 HH12 ARG A 8 48.287 -4.243 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 8 47.302 -2.648 11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.524 -4.193 11.988 1.00 0.00 H new ATOM 377 N VAL A 9 45.422 3.024 15.054 1.00 0.00 N ATOM 378 CA VAL A 9 44.018 2.797 15.283 1.00 0.00 C ATOM 379 C VAL A 9 43.745 1.302 15.312 1.00 0.00 C ATOM 380 O VAL A 9 43.698 0.652 14.270 1.00 0.00 O ATOM 381 CB VAL A 9 43.160 3.456 14.187 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.689 3.284 14.489 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.515 4.927 14.039 1.00 0.00 C ATOM 0 H VAL A 9 45.659 3.286 14.097 1.00 0.00 H new ATOM 0 HA VAL A 9 43.751 3.244 16.240 1.00 0.00 H new ATOM 0 HB VAL A 9 43.372 2.961 13.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.099 3.756 13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.449 2.222 14.535 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.457 3.750 15.447 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.898 5.374 13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.336 5.441 14.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.566 5.022 13.768 1.00 0.00 H new ATOM 393 N CYS A 10 43.596 0.761 16.504 1.00 0.00 N ATOM 394 CA CYS A 10 43.359 -0.660 16.668 1.00 0.00 C ATOM 395 C CYS A 10 41.897 -0.993 16.438 1.00 0.00 C ATOM 396 O CYS A 10 41.563 -2.029 15.861 1.00 0.00 O ATOM 397 CB CYS A 10 43.790 -1.104 18.066 1.00 0.00 C ATOM 398 SG CYS A 10 43.121 -0.088 19.405 1.00 0.00 S ATOM 0 H CYS A 10 43.635 1.286 17.378 1.00 0.00 H new ATOM 0 HA CYS A 10 43.951 -1.197 15.926 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.479 -2.137 18.219 1.00 0.00 H new ATOM 0 HB3 CYS A 10 44.878 -1.087 18.121 1.00 0.00 H new ATOM 0 HG CYS A 10 42.507 0.942 18.903 1.00 0.00 H new ATOM 404 N ARG A 11 41.034 -0.103 16.870 1.00 0.00 N ATOM 405 CA ARG A 11 39.611 -0.288 16.745 1.00 0.00 C ATOM 406 C ARG A 11 38.932 1.039 16.505 1.00 0.00 C ATOM 407 O ARG A 11 39.548 2.076 16.649 1.00 0.00 O ATOM 408 CB ARG A 11 39.056 -0.960 17.997 1.00 0.00 C ATOM 409 CG ARG A 11 39.549 -0.348 19.297 1.00 0.00 C ATOM 410 CD ARG A 11 39.062 -1.143 20.486 1.00 0.00 C ATOM 411 NE ARG A 11 39.592 -0.639 21.752 1.00 0.00 N ATOM 412 CZ ARG A 11 39.957 -1.420 22.767 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.906 -2.743 22.643 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.377 -0.880 23.899 1.00 0.00 N ATOM 0 H ARG A 11 41.303 0.772 17.319 1.00 0.00 H new ATOM 0 HA ARG A 11 39.412 -0.935 15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.968 -0.908 17.973 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.325 -2.016 17.980 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.639 -0.315 19.298 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.199 0.681 19.375 1.00 0.00 H new ATOM 0 HD2 ARG A 11 37.973 -1.116 20.515 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.352 -2.187 20.364 1.00 0.00 H new ATOM 0 HE ARG A 11 39.688 0.370 21.864 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.587 -3.161 21.769 1.00 0.00 H new ATOM 0 HH12 ARG A 11 40.186 -3.339 23.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.421 0.135 23.994 1.00 0.00 H new ATOM 0 HH22 ARG A 11 40.657 -1.478 24.676 1.00 0.00 H new ATOM 428 N ILE A 12 37.677 0.998 16.114 1.00 0.00 N ATOM 429 CA ILE A 12 36.922 2.209 15.847 1.00 0.00 C ATOM 430 C ILE A 12 35.572 2.170 16.539 1.00 0.00 C ATOM 431 O ILE A 12 34.979 1.099 16.702 1.00 0.00 O ATOM 432 CB ILE A 12 36.742 2.451 14.305 1.00 0.00 C ATOM 433 CG1 ILE A 12 38.039 2.987 13.692 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.582 3.407 14.004 1.00 0.00 C ATOM 435 CD1 ILE A 12 38.431 4.357 14.202 1.00 0.00 C ATOM 0 H ILE A 12 37.153 0.135 15.972 1.00 0.00 H new ATOM 0 HA ILE A 12 37.495 3.044 16.251 1.00 0.00 H new ATOM 0 HB ILE A 12 36.502 1.489 13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 12 38.847 2.286 13.902 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.928 3.030 12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 12 35.495 3.545 12.926 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.654 2.987 14.392 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.771 4.370 14.479 1.00 0.00 H new ATOM 0 HD11 ILE A 12 39.359 4.671 13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.642 5.072 13.968 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.575 4.316 15.282 1.00 0.00 H new ATOM 447 N ARG A 13 35.131 3.332 16.988 1.00 0.00 N ATOM 448 CA ARG A 13 33.814 3.528 17.593 1.00 0.00 C ATOM 449 C ARG A 13 32.711 2.938 16.688 1.00 0.00 C ATOM 450 O ARG A 13 32.953 2.635 15.515 1.00 0.00 O ATOM 451 CB ARG A 13 33.586 5.036 17.756 1.00 0.00 C ATOM 452 CG ARG A 13 33.441 5.767 16.421 1.00 0.00 C ATOM 453 CD ARG A 13 33.816 7.237 16.518 1.00 0.00 C ATOM 454 NE ARG A 13 35.269 7.433 16.623 1.00 0.00 N ATOM 455 CZ ARG A 13 35.911 8.543 16.235 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.232 9.569 15.728 1.00 0.00 N ATOM 457 NH2 ARG A 13 37.226 8.626 16.364 1.00 0.00 N ATOM 0 H ARG A 13 35.686 4.187 16.944 1.00 0.00 H new ATOM 0 HA ARG A 13 33.774 3.023 18.558 1.00 0.00 H new ATOM 0 HB2 ARG A 13 32.689 5.200 18.353 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.420 5.466 18.310 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.072 5.283 15.675 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.412 5.680 16.073 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.442 7.764 15.640 1.00 0.00 H new ATOM 0 HD3 ARG A 13 33.328 7.678 17.387 1.00 0.00 H new ATOM 0 HE ARG A 13 35.825 6.674 17.017 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.218 9.513 15.633 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.726 10.412 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.750 7.845 16.759 1.00 0.00 H new ATOM 0 HH22 ARG A 13 37.715 9.471 16.069 1.00 0.00 H new ATOM 471 N ASP A 14 31.509 2.787 17.216 1.00 0.00 N ATOM 472 CA ASP A 14 30.405 2.260 16.412 1.00 0.00 C ATOM 473 C ASP A 14 29.864 3.324 15.472 1.00 0.00 C ATOM 474 O ASP A 14 28.729 3.790 15.616 1.00 0.00 O ATOM 475 CB ASP A 14 29.288 1.687 17.286 1.00 0.00 C ATOM 476 CG ASP A 14 29.652 0.343 17.867 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.573 -0.669 17.138 1.00 0.00 O ATOM 478 OD2 ASP A 14 30.030 0.287 19.050 1.00 0.00 O ATOM 0 H ASP A 14 31.268 3.015 18.180 1.00 0.00 H new ATOM 0 HA ASP A 14 30.802 1.441 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.069 2.383 18.095 1.00 0.00 H new ATOM 0 HB3 ASP A 14 28.378 1.590 16.693 1.00 0.00 H new ATOM 483 N ARG A 15 30.698 3.710 14.524 1.00 0.00 N ATOM 484 CA ARG A 15 30.385 4.725 13.540 1.00 0.00 C ATOM 485 C ARG A 15 31.554 4.846 12.575 1.00 0.00 C ATOM 486 O ARG A 15 32.533 5.536 12.858 1.00 0.00 O ATOM 487 CB ARG A 15 30.144 6.069 14.227 1.00 0.00 C ATOM 488 CG ARG A 15 29.681 7.174 13.302 1.00 0.00 C ATOM 489 CD ARG A 15 29.582 8.482 14.053 1.00 0.00 C ATOM 490 NE ARG A 15 28.946 9.531 13.261 1.00 0.00 N ATOM 491 CZ ARG A 15 28.346 10.598 13.784 1.00 0.00 C ATOM 492 NH1 ARG A 15 28.290 10.749 15.104 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.799 11.512 12.991 1.00 0.00 N ATOM 0 H ARG A 15 31.633 3.316 14.416 1.00 0.00 H new ATOM 0 HA ARG A 15 29.481 4.443 13.000 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.399 5.933 15.011 1.00 0.00 H new ATOM 0 HB3 ARG A 15 31.067 6.384 14.715 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.378 7.277 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 15 28.711 6.918 12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.015 8.329 14.971 1.00 0.00 H new ATOM 0 HD3 ARG A 15 30.581 8.806 14.346 1.00 0.00 H new ATOM 0 HE ARG A 15 28.962 9.441 12.245 1.00 0.00 H new ATOM 0 HH11 ARG A 15 28.707 10.047 15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.830 11.567 15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.838 11.398 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.340 12.328 13.395 1.00 0.00 H new ATOM 507 N VAL A 16 31.471 4.158 11.459 1.00 0.00 N ATOM 508 CA VAL A 16 32.557 4.170 10.501 1.00 0.00 C ATOM 509 C VAL A 16 32.245 5.041 9.285 1.00 0.00 C ATOM 510 O VAL A 16 31.309 4.774 8.524 1.00 0.00 O ATOM 511 CB VAL A 16 32.939 2.733 10.037 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.604 1.968 11.172 1.00 0.00 C ATOM 513 CG2 VAL A 16 31.713 1.970 9.537 1.00 0.00 C ATOM 0 H VAL A 16 30.670 3.586 11.192 1.00 0.00 H new ATOM 0 HA VAL A 16 33.411 4.604 11.021 1.00 0.00 H new ATOM 0 HB VAL A 16 33.643 2.825 9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.865 0.966 10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 16 34.508 2.492 11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.917 1.897 12.015 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.011 0.971 9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 16 30.980 1.893 10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.272 2.502 8.694 1.00 0.00 H new ATOM 523 N ALA A 17 33.006 6.109 9.133 1.00 0.00 N ATOM 524 CA ALA A 17 32.891 6.952 7.966 1.00 0.00 C ATOM 525 C ALA A 17 33.772 6.411 6.853 1.00 0.00 C ATOM 526 O ALA A 17 34.609 5.532 7.093 1.00 0.00 O ATOM 527 CB ALA A 17 33.240 8.396 8.283 1.00 0.00 C ATOM 0 H ALA A 17 33.710 6.410 9.806 1.00 0.00 H new ATOM 0 HA ALA A 17 31.853 6.939 7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.142 9.000 7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.563 8.774 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.266 8.451 8.647 1.00 0.00 H new ATOM 533 N GLN A 18 33.606 6.947 5.659 1.00 0.00 N ATOM 534 CA GLN A 18 34.376 6.514 4.496 1.00 0.00 C ATOM 535 C GLN A 18 35.887 6.683 4.736 1.00 0.00 C ATOM 536 O GLN A 18 36.700 5.909 4.230 1.00 0.00 O ATOM 537 CB GLN A 18 33.931 7.308 3.270 1.00 0.00 C ATOM 538 CG GLN A 18 34.559 6.862 1.969 1.00 0.00 C ATOM 539 CD GLN A 18 34.066 7.675 0.795 1.00 0.00 C ATOM 540 OE1 GLN A 18 32.933 8.157 0.787 1.00 0.00 O ATOM 541 NE2 GLN A 18 34.907 7.841 -0.196 1.00 0.00 N ATOM 0 H GLN A 18 32.938 7.692 5.462 1.00 0.00 H new ATOM 0 HA GLN A 18 34.189 5.454 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 18 32.847 7.234 3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.166 8.360 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 18 35.643 6.950 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 18 34.335 5.809 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.837 7.425 -0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.631 8.386 -1.013 1.00 0.00 H new ATOM 550 N ASP A 19 36.247 7.697 5.509 1.00 0.00 N ATOM 551 CA ASP A 19 37.648 7.946 5.856 1.00 0.00 C ATOM 552 C ASP A 19 38.065 7.122 7.064 1.00 0.00 C ATOM 553 O ASP A 19 39.129 6.506 7.074 1.00 0.00 O ATOM 554 CB ASP A 19 37.870 9.426 6.161 1.00 0.00 C ATOM 555 CG ASP A 19 39.269 9.712 6.682 1.00 0.00 C ATOM 556 OD1 ASP A 19 40.185 9.918 5.864 1.00 0.00 O ATOM 557 OD2 ASP A 19 39.456 9.742 7.914 1.00 0.00 O ATOM 0 H ASP A 19 35.590 8.365 5.911 1.00 0.00 H new ATOM 0 HA ASP A 19 38.256 7.655 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 19 37.697 10.009 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.137 9.755 6.898 1.00 0.00 H new ATOM 562 N ILE A 20 37.206 7.103 8.071 1.00 0.00 N ATOM 563 CA ILE A 20 37.490 6.417 9.328 1.00 0.00 C ATOM 564 C ILE A 20 37.742 4.931 9.114 1.00 0.00 C ATOM 565 O ILE A 20 38.599 4.340 9.772 1.00 0.00 O ATOM 566 CB ILE A 20 36.338 6.597 10.338 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.000 8.072 10.487 1.00 0.00 C ATOM 568 CG2 ILE A 20 36.718 6.012 11.680 1.00 0.00 C ATOM 569 CD1 ILE A 20 34.863 8.358 11.450 1.00 0.00 C ATOM 0 H ILE A 20 36.295 7.560 8.043 1.00 0.00 H new ATOM 0 HA ILE A 20 38.395 6.871 9.732 1.00 0.00 H new ATOM 0 HB ILE A 20 35.461 6.069 9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.889 8.604 10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.741 8.474 9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 20 35.895 6.147 12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 20 36.928 4.948 11.567 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.605 6.519 12.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.688 9.433 11.497 1.00 0.00 H new ATOM 0 HD12 ILE A 20 33.959 7.857 11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.125 7.990 12.442 1.00 0.00 H new ATOM 581 N ILE A 21 37.018 4.334 8.180 1.00 0.00 N ATOM 582 CA ILE A 21 37.172 2.916 7.909 1.00 0.00 C ATOM 583 C ILE A 21 38.578 2.612 7.346 1.00 0.00 C ATOM 584 O ILE A 21 39.099 1.512 7.506 1.00 0.00 O ATOM 585 CB ILE A 21 36.072 2.383 6.939 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.129 0.852 6.829 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.198 3.019 5.562 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.835 0.132 8.129 1.00 0.00 C ATOM 0 H ILE A 21 36.323 4.806 7.601 1.00 0.00 H new ATOM 0 HA ILE A 21 37.054 2.395 8.859 1.00 0.00 H new ATOM 0 HB ILE A 21 35.104 2.662 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 21 35.414 0.525 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 21 37.119 0.559 6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.418 2.628 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.090 4.100 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.176 2.785 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.894 -0.945 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 21 36.565 0.428 8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 21 34.834 0.393 8.471 1.00 0.00 H new ATOM 600 N GLN A 22 39.188 3.615 6.721 1.00 0.00 N ATOM 601 CA GLN A 22 40.527 3.478 6.148 1.00 0.00 C ATOM 602 C GLN A 22 41.573 3.565 7.240 1.00 0.00 C ATOM 603 O GLN A 22 42.666 3.005 7.128 1.00 0.00 O ATOM 604 CB GLN A 22 40.785 4.601 5.150 1.00 0.00 C ATOM 605 CG GLN A 22 39.770 4.699 4.032 1.00 0.00 C ATOM 606 CD GLN A 22 40.056 5.859 3.102 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.213 6.225 2.882 1.00 0.00 O ATOM 608 NE2 GLN A 22 39.014 6.460 2.575 1.00 0.00 N ATOM 0 H GLN A 22 38.774 4.539 6.597 1.00 0.00 H new ATOM 0 HA GLN A 22 40.587 2.511 5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.806 5.549 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.774 4.461 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.769 3.770 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.773 4.813 4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 22 38.073 6.125 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 22 39.146 7.261 1.958 1.00 0.00 H new ATOM 617 N LYS A 23 41.222 4.269 8.295 1.00 0.00 N ATOM 618 CA LYS A 23 42.124 4.534 9.394 1.00 0.00 C ATOM 619 C LYS A 23 42.285 3.331 10.307 1.00 0.00 C ATOM 620 O LYS A 23 43.229 3.264 11.087 1.00 0.00 O ATOM 621 CB LYS A 23 41.628 5.747 10.169 1.00 0.00 C ATOM 622 CG LYS A 23 41.578 6.991 9.332 1.00 0.00 C ATOM 623 CD LYS A 23 42.955 7.516 9.098 1.00 0.00 C ATOM 624 CE LYS A 23 42.988 8.500 7.970 1.00 0.00 C ATOM 625 NZ LYS A 23 42.084 9.659 8.190 1.00 0.00 N ATOM 0 H LYS A 23 40.295 4.677 8.414 1.00 0.00 H new ATOM 0 HA LYS A 23 43.112 4.743 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 23 40.633 5.539 10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.280 5.917 11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.097 6.776 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.973 7.748 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.322 7.992 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.628 6.687 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.008 8.861 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 23 42.706 7.996 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.359 10.438 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 41.103 9.378 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.156 9.973 9.179 1.00 0.00 H new ATOM 639 N LEU A 24 41.374 2.382 10.200 1.00 0.00 N ATOM 640 CA LEU A 24 41.441 1.172 11.006 1.00 0.00 C ATOM 641 C LEU A 24 42.706 0.390 10.637 1.00 0.00 C ATOM 642 O LEU A 24 42.806 -0.171 9.546 1.00 0.00 O ATOM 643 CB LEU A 24 40.174 0.314 10.779 1.00 0.00 C ATOM 644 CG LEU A 24 39.833 -0.755 11.851 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.890 -1.848 11.929 1.00 0.00 C ATOM 646 CD2 LEU A 24 39.626 -0.107 13.214 1.00 0.00 C ATOM 0 H LEU A 24 40.578 2.423 9.564 1.00 0.00 H new ATOM 0 HA LEU A 24 41.485 1.434 12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.322 0.988 10.693 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.278 -0.193 9.819 1.00 0.00 H new ATOM 0 HG LEU A 24 38.901 -1.230 11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.608 -2.573 12.693 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.967 -2.349 10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.852 -1.406 12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.388 -0.875 13.950 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.537 0.412 13.512 1.00 0.00 H new ATOM 0 HD23 LEU A 24 38.804 0.607 13.156 1.00 0.00 H new ATOM 658 N GLY A 25 43.670 0.383 11.542 1.00 0.00 N ATOM 659 CA GLY A 25 44.915 -0.312 11.301 1.00 0.00 C ATOM 660 C GLY A 25 46.025 0.620 10.854 1.00 0.00 C ATOM 661 O GLY A 25 47.195 0.230 10.826 1.00 0.00 O ATOM 0 H GLY A 25 43.611 0.850 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.222 -0.827 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.759 -1.077 10.540 1.00 0.00 H new ATOM 665 N GLN A 26 45.668 1.853 10.525 1.00 0.00 N ATOM 666 CA GLN A 26 46.634 2.834 10.047 1.00 0.00 C ATOM 667 C GLN A 26 47.381 3.467 11.231 1.00 0.00 C ATOM 668 O GLN A 26 46.799 3.669 12.307 1.00 0.00 O ATOM 669 CB GLN A 26 45.920 3.902 9.190 1.00 0.00 C ATOM 670 CG GLN A 26 46.851 4.789 8.379 1.00 0.00 C ATOM 671 CD GLN A 26 46.094 5.734 7.459 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.754 6.847 7.837 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.821 5.286 6.251 1.00 0.00 N ATOM 0 H GLN A 26 44.711 2.200 10.581 1.00 0.00 H new ATOM 0 HA GLN A 26 47.373 2.336 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.232 3.402 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.319 4.532 9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.477 5.370 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.518 4.164 7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.122 4.352 5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.309 5.873 5.593 1.00 0.00 H new ATOM 682 N VAL A 27 48.667 3.745 11.039 1.00 0.00 N ATOM 683 CA VAL A 27 49.507 4.309 12.095 1.00 0.00 C ATOM 684 C VAL A 27 49.804 5.781 11.818 1.00 0.00 C ATOM 685 O VAL A 27 50.101 6.160 10.683 1.00 0.00 O ATOM 686 CB VAL A 27 50.854 3.547 12.208 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.629 3.988 13.444 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.632 2.042 12.219 1.00 0.00 C ATOM 0 H VAL A 27 49.154 3.588 10.157 1.00 0.00 H new ATOM 0 HA VAL A 27 48.957 4.211 13.031 1.00 0.00 H new ATOM 0 HB VAL A 27 51.450 3.793 11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.569 3.439 13.499 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.836 5.056 13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.037 3.785 14.336 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.593 1.533 12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.007 1.773 13.070 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.137 1.740 11.296 1.00 0.00 H new ATOM 698 N GLY A 28 49.727 6.603 12.851 1.00 0.00 N ATOM 699 CA GLY A 28 50.007 8.013 12.697 1.00 0.00 C ATOM 700 C GLY A 28 50.709 8.579 13.908 1.00 0.00 C ATOM 701 O GLY A 28 50.980 7.856 14.865 1.00 0.00 O ATOM 0 H GLY A 28 49.475 6.317 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.626 8.167 11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.075 8.553 12.531 1.00 0.00 H new ATOM 705 N GLN A 29 50.999 9.865 13.878 1.00 0.00 N ATOM 706 CA GLN A 29 51.687 10.510 14.983 1.00 0.00 C ATOM 707 C GLN A 29 50.764 11.501 15.689 1.00 0.00 C ATOM 708 O GLN A 29 49.920 12.146 15.054 1.00 0.00 O ATOM 709 CB GLN A 29 52.955 11.215 14.484 1.00 0.00 C ATOM 710 CG GLN A 29 53.866 11.720 15.598 1.00 0.00 C ATOM 711 CD GLN A 29 55.117 12.394 15.072 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.111 12.989 13.998 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.199 12.297 15.817 1.00 0.00 N ATOM 0 H GLN A 29 50.770 10.485 13.101 1.00 0.00 H new ATOM 0 HA GLN A 29 51.977 9.744 15.702 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.517 10.526 13.854 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.666 12.057 13.856 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.314 12.424 16.222 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.150 10.883 16.236 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.164 11.794 16.704 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.072 12.725 15.507 1.00 0.00 H new ATOM 722 N ILE A 30 50.919 11.607 16.997 1.00 0.00 N ATOM 723 CA ILE A 30 50.118 12.513 17.802 1.00 0.00 C ATOM 724 C ILE A 30 50.638 13.932 17.673 1.00 0.00 C ATOM 725 O ILE A 30 51.754 14.231 18.098 1.00 0.00 O ATOM 726 CB ILE A 30 50.149 12.119 19.295 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.702 10.668 19.477 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.272 13.061 20.118 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.767 10.189 20.909 1.00 0.00 C ATOM 0 H ILE A 30 51.602 11.069 17.530 1.00 0.00 H new ATOM 0 HA ILE A 30 49.094 12.449 17.435 1.00 0.00 H new ATOM 0 HB ILE A 30 51.175 12.208 19.653 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.680 10.564 19.114 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.327 10.024 18.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.307 12.767 21.167 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.639 14.082 20.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.244 13.007 19.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.435 9.152 20.961 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.793 10.261 21.270 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.120 10.809 21.530 1.00 0.00 H new ATOM 741 N THR A 31 49.839 14.798 17.092 1.00 0.00 N ATOM 742 CA THR A 31 50.220 16.184 16.941 1.00 0.00 C ATOM 743 C THR A 31 49.455 17.073 17.912 1.00 0.00 C ATOM 744 O THR A 31 49.668 18.281 17.966 1.00 0.00 O ATOM 745 CB THR A 31 49.997 16.666 15.507 1.00 0.00 C ATOM 746 OG1 THR A 31 48.685 16.286 15.065 1.00 0.00 O ATOM 747 CG2 THR A 31 51.042 16.078 14.572 1.00 0.00 C ATOM 0 H THR A 31 48.920 14.567 16.716 1.00 0.00 H new ATOM 0 HA THR A 31 51.284 16.254 17.169 1.00 0.00 H new ATOM 0 HB THR A 31 50.088 17.752 15.490 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.349 16.951 14.429 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.864 16.434 13.557 1.00 0.00 H new ATOM 0 HG22 THR A 31 52.036 16.387 14.896 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.976 14.990 14.591 1.00 0.00 H new ATOM 755 N GLY A 32 48.559 16.467 18.679 1.00 0.00 N ATOM 756 CA GLY A 32 47.795 17.216 19.644 1.00 0.00 C ATOM 757 C GLY A 32 46.622 16.432 20.172 1.00 0.00 C ATOM 758 O GLY A 32 46.313 15.348 19.669 1.00 0.00 O ATOM 0 H GLY A 32 48.351 15.469 18.647 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.441 17.503 20.473 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.437 18.138 19.185 1.00 0.00 H new ATOM 762 N PHE A 33 45.976 16.964 21.186 1.00 0.00 N ATOM 763 CA PHE A 33 44.815 16.326 21.773 1.00 0.00 C ATOM 764 C PHE A 33 43.547 17.089 21.419 1.00 0.00 C ATOM 765 O PHE A 33 43.606 18.231 20.951 1.00 0.00 O ATOM 766 CB PHE A 33 44.960 16.211 23.295 1.00 0.00 C ATOM 767 CG PHE A 33 45.921 15.137 23.743 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.531 13.807 23.752 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.204 15.457 24.159 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.398 12.816 24.168 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.078 14.467 24.581 1.00 0.00 C ATOM 772 CZ PHE A 33 47.671 13.143 24.584 1.00 0.00 C ATOM 0 H PHE A 33 46.238 17.846 21.626 1.00 0.00 H new ATOM 0 HA PHE A 33 44.742 15.320 21.361 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.294 17.170 23.691 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.980 16.011 23.728 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.535 13.542 23.429 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.526 16.488 24.154 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.079 11.784 24.167 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.074 14.728 24.907 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.349 12.369 24.911 1.00 0.00 H new ATOM 782 N LYS A 34 42.416 16.457 21.627 1.00 0.00 N ATOM 783 CA LYS A 34 41.129 17.050 21.331 1.00 0.00 C ATOM 784 C LYS A 34 40.101 16.544 22.327 1.00 0.00 C ATOM 785 O LYS A 34 40.258 15.463 22.875 1.00 0.00 O ATOM 786 CB LYS A 34 40.694 16.650 19.922 1.00 0.00 C ATOM 787 CG LYS A 34 39.529 17.447 19.388 1.00 0.00 C ATOM 788 CD LYS A 34 38.917 16.790 18.167 1.00 0.00 C ATOM 789 CE LYS A 34 37.634 17.485 17.743 1.00 0.00 C ATOM 790 NZ LYS A 34 36.645 17.543 18.852 1.00 0.00 N ATOM 0 H LYS A 34 42.360 15.512 22.008 1.00 0.00 H new ATOM 0 HA LYS A 34 41.208 18.135 21.398 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.541 16.766 19.245 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.428 15.593 19.922 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.771 17.550 20.165 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.862 18.453 19.132 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.632 16.811 17.345 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.710 15.742 18.382 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.863 18.496 17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.198 16.958 16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 35.697 17.328 18.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.899 16.846 19.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.646 18.496 19.269 1.00 0.00 H new ATOM 804 N MET A 35 39.067 17.321 22.587 1.00 0.00 N ATOM 805 CA MET A 35 38.011 16.848 23.460 1.00 0.00 C ATOM 806 C MET A 35 37.047 15.974 22.663 1.00 0.00 C ATOM 807 O MET A 35 36.782 16.240 21.480 1.00 0.00 O ATOM 808 CB MET A 35 37.261 18.010 24.142 1.00 0.00 C ATOM 809 CG MET A 35 36.389 18.842 23.212 1.00 0.00 C ATOM 810 SD MET A 35 35.434 20.093 24.102 1.00 0.00 S ATOM 811 CE MET A 35 34.541 20.860 22.749 1.00 0.00 C ATOM 0 H MET A 35 38.936 18.262 22.216 1.00 0.00 H new ATOM 0 HA MET A 35 38.465 16.257 24.255 1.00 0.00 H new ATOM 0 HB2 MET A 35 36.635 17.603 24.936 1.00 0.00 H new ATOM 0 HB3 MET A 35 37.991 18.666 24.616 1.00 0.00 H new ATOM 0 HG2 MET A 35 37.018 19.330 22.468 1.00 0.00 H new ATOM 0 HG3 MET A 35 35.708 18.185 22.672 1.00 0.00 H new ATOM 0 HE1 MET A 35 33.905 21.655 23.137 1.00 0.00 H new ATOM 0 HE2 MET A 35 35.251 21.279 22.036 1.00 0.00 H new ATOM 0 HE3 MET A 35 33.924 20.113 22.251 1.00 0.00 H new ATOM 821 N THR A 36 36.554 14.930 23.288 1.00 0.00 N ATOM 822 CA THR A 36 35.654 14.004 22.634 1.00 0.00 C ATOM 823 C THR A 36 34.210 14.343 22.954 1.00 0.00 C ATOM 824 O THR A 36 33.910 15.420 23.479 1.00 0.00 O ATOM 825 CB THR A 36 35.928 12.555 23.077 1.00 0.00 C ATOM 826 OG1 THR A 36 35.762 12.438 24.496 1.00 0.00 O ATOM 827 CG2 THR A 36 37.330 12.129 22.693 1.00 0.00 C ATOM 0 H THR A 36 36.763 14.698 24.259 1.00 0.00 H new ATOM 0 HA THR A 36 35.825 14.092 21.561 1.00 0.00 H new ATOM 0 HB THR A 36 35.216 11.903 22.571 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.639 12.337 24.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 37.500 11.102 23.017 1.00 0.00 H new ATOM 0 HG22 THR A 36 37.446 12.192 21.611 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.055 12.786 23.175 1.00 0.00 H new ATOM 835 N ASP A 37 33.318 13.419 22.632 1.00 0.00 N ATOM 836 CA ASP A 37 31.907 13.579 22.921 1.00 0.00 C ATOM 837 C ASP A 37 31.619 13.270 24.386 1.00 0.00 C ATOM 838 O ASP A 37 30.487 13.422 24.850 1.00 0.00 O ATOM 839 CB ASP A 37 31.066 12.668 22.023 1.00 0.00 C ATOM 840 CG ASP A 37 31.125 13.069 20.566 1.00 0.00 C ATOM 841 OD1 ASP A 37 32.078 12.663 19.871 1.00 0.00 O ATOM 842 OD2 ASP A 37 30.218 13.793 20.104 1.00 0.00 O ATOM 0 H ASP A 37 33.553 12.543 22.166 1.00 0.00 H new ATOM 0 HA ASP A 37 31.638 14.616 22.721 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.414 11.640 22.127 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.030 12.689 22.360 1.00 0.00 H new ATOM 847 N GLY A 38 32.650 12.835 25.111 1.00 0.00 N ATOM 848 CA GLY A 38 32.482 12.519 26.516 1.00 0.00 C ATOM 849 C GLY A 38 33.281 11.304 26.950 1.00 0.00 C ATOM 850 O GLY A 38 33.511 11.102 28.142 1.00 0.00 O ATOM 0 H GLY A 38 33.594 12.697 24.749 1.00 0.00 H new ATOM 0 HA2 GLY A 38 32.784 13.378 27.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 31.426 12.344 26.720 1.00 0.00 H new ATOM 854 N SER A 39 33.708 10.498 25.997 1.00 0.00 N ATOM 855 CA SER A 39 34.458 9.290 26.306 1.00 0.00 C ATOM 856 C SER A 39 35.967 9.558 26.327 1.00 0.00 C ATOM 857 O SER A 39 36.630 9.508 25.289 1.00 0.00 O ATOM 858 CB SER A 39 34.123 8.197 25.291 1.00 0.00 C ATOM 859 OG SER A 39 32.717 8.074 25.130 1.00 0.00 O ATOM 0 H SER A 39 33.550 10.655 25.002 1.00 0.00 H new ATOM 0 HA SER A 39 34.169 8.955 27.302 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.585 8.431 24.332 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.541 7.246 25.622 1.00 0.00 H new ATOM 0 HG SER A 39 32.523 7.371 24.475 1.00 0.00 H new ATOM 865 N GLY A 40 36.489 9.871 27.511 1.00 0.00 N ATOM 866 CA GLY A 40 37.918 10.117 27.671 1.00 0.00 C ATOM 867 C GLY A 40 38.412 11.293 26.847 1.00 0.00 C ATOM 868 O GLY A 40 37.627 12.166 26.460 1.00 0.00 O ATOM 0 H GLY A 40 35.945 9.960 28.370 1.00 0.00 H new ATOM 0 HA2 GLY A 40 38.134 10.301 28.723 1.00 0.00 H new ATOM 0 HA3 GLY A 40 38.470 9.222 27.384 1.00 0.00 H new ATOM 872 N VAL A 41 39.707 11.324 26.589 1.00 0.00 N ATOM 873 CA VAL A 41 40.302 12.384 25.787 1.00 0.00 C ATOM 874 C VAL A 41 40.496 11.897 24.352 1.00 0.00 C ATOM 875 O VAL A 41 40.646 10.697 24.106 1.00 0.00 O ATOM 876 CB VAL A 41 41.673 12.846 26.365 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.209 14.062 25.620 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.562 13.147 27.850 1.00 0.00 C ATOM 0 H VAL A 41 40.371 10.626 26.923 1.00 0.00 H new ATOM 0 HA VAL A 41 39.622 13.236 25.807 1.00 0.00 H new ATOM 0 HB VAL A 41 42.378 12.026 26.227 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.166 14.358 26.048 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.344 13.813 24.567 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.501 14.886 25.710 1.00 0.00 H new ATOM 0 HG21 VAL A 41 42.532 13.467 28.230 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.831 13.940 28.007 1.00 0.00 H new ATOM 0 HG23 VAL A 41 41.243 12.250 28.380 1.00 0.00 H new ATOM 888 N GLY A 42 40.465 12.820 23.414 1.00 0.00 N ATOM 889 CA GLY A 42 40.652 12.476 22.033 1.00 0.00 C ATOM 890 C GLY A 42 42.034 12.820 21.557 1.00 0.00 C ATOM 891 O GLY A 42 42.635 13.792 22.016 1.00 0.00 O ATOM 0 H GLY A 42 40.312 13.813 23.590 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.475 11.409 21.897 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.916 13.001 21.424 1.00 0.00 H new ATOM 895 N VAL A 43 42.540 12.031 20.653 1.00 0.00 N ATOM 896 CA VAL A 43 43.859 12.235 20.116 1.00 0.00 C ATOM 897 C VAL A 43 43.776 12.625 18.651 1.00 0.00 C ATOM 898 O VAL A 43 43.179 11.908 17.845 1.00 0.00 O ATOM 899 CB VAL A 43 44.709 10.949 20.244 1.00 0.00 C ATOM 900 CG1 VAL A 43 46.130 11.190 19.772 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.701 10.439 21.676 1.00 0.00 C ATOM 0 H VAL A 43 42.050 11.225 20.265 1.00 0.00 H new ATOM 0 HA VAL A 43 44.331 13.036 20.685 1.00 0.00 H new ATOM 0 HB VAL A 43 44.264 10.186 19.605 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.707 10.271 19.872 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.119 11.500 18.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.587 11.973 20.377 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.305 9.534 21.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 45.115 11.201 22.336 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.677 10.215 21.977 1.00 0.00 H new ATOM 911 N ILE A 44 44.351 13.768 18.308 1.00 0.00 N ATOM 912 CA ILE A 44 44.390 14.201 16.927 1.00 0.00 C ATOM 913 C ILE A 44 45.592 13.578 16.255 1.00 0.00 C ATOM 914 O ILE A 44 46.736 14.018 16.439 1.00 0.00 O ATOM 915 CB ILE A 44 44.436 15.743 16.787 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.170 16.360 17.379 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.596 16.148 15.321 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.098 17.866 17.245 1.00 0.00 C ATOM 0 H ILE A 44 44.794 14.408 18.967 1.00 0.00 H new ATOM 0 HA ILE A 44 43.470 13.873 16.444 1.00 0.00 H new ATOM 0 HB ILE A 44 45.299 16.117 17.337 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.301 15.920 16.890 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.109 16.096 18.435 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.626 17.235 15.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.523 15.731 14.927 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.753 15.767 14.744 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.170 18.227 17.689 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.946 18.318 17.759 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.125 18.139 16.190 1.00 0.00 H new ATOM 930 N VAL A 45 45.337 12.536 15.508 1.00 0.00 N ATOM 931 CA VAL A 45 46.385 11.787 14.876 1.00 0.00 C ATOM 932 C VAL A 45 46.630 12.265 13.458 1.00 0.00 C ATOM 933 O VAL A 45 45.698 12.372 12.651 1.00 0.00 O ATOM 934 CB VAL A 45 46.050 10.279 14.853 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.235 9.470 14.359 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.610 9.804 16.230 1.00 0.00 C ATOM 0 H VAL A 45 44.397 12.185 15.322 1.00 0.00 H new ATOM 0 HA VAL A 45 47.290 11.947 15.463 1.00 0.00 H new ATOM 0 HB VAL A 45 45.223 10.126 14.159 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.975 8.411 14.352 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.496 9.787 13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.086 9.630 15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.379 8.739 16.191 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.412 9.975 16.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.723 10.357 16.539 1.00 0.00 H new ATOM 946 N THR A 46 47.873 12.579 13.168 1.00 0.00 N ATOM 947 CA THR A 46 48.272 12.957 11.841 1.00 0.00 C ATOM 948 C THR A 46 49.086 11.823 11.238 1.00 0.00 C ATOM 949 O THR A 46 50.186 11.511 11.704 1.00 0.00 O ATOM 950 CB THR A 46 49.089 14.262 11.850 1.00 0.00 C ATOM 951 OG1 THR A 46 48.345 15.276 12.553 1.00 0.00 O ATOM 952 CG2 THR A 46 49.364 14.735 10.428 1.00 0.00 C ATOM 0 H THR A 46 48.632 12.578 13.849 1.00 0.00 H new ATOM 0 HA THR A 46 47.382 13.139 11.239 1.00 0.00 H new ATOM 0 HB THR A 46 50.042 14.079 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.698 15.370 13.462 1.00 0.00 H new ATOM 0 HG21 THR A 46 49.942 15.658 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.927 13.971 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.419 14.915 9.915 1.00 0.00 H new ATOM 960 N PHE A 47 48.529 11.190 10.236 1.00 0.00 N ATOM 961 CA PHE A 47 49.144 10.034 9.619 1.00 0.00 C ATOM 962 C PHE A 47 50.143 10.450 8.544 1.00 0.00 C ATOM 963 O PHE A 47 50.196 11.620 8.158 1.00 0.00 O ATOM 964 CB PHE A 47 48.059 9.132 9.032 1.00 0.00 C ATOM 965 CG PHE A 47 47.035 8.688 10.044 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.942 9.485 10.345 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.167 7.475 10.690 1.00 0.00 C ATOM 968 CE1 PHE A 47 45.004 9.076 11.271 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.235 7.060 11.617 1.00 0.00 C ATOM 970 CZ PHE A 47 45.153 7.859 11.908 1.00 0.00 C ATOM 0 H PHE A 47 47.636 11.459 9.823 1.00 0.00 H new ATOM 0 HA PHE A 47 49.695 9.481 10.380 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.554 9.662 8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.528 8.252 8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.823 10.437 9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 47 48.013 6.842 10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.156 9.705 11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.354 6.109 12.114 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.421 7.535 12.633 1.00 0.00 H new ATOM 980 N ASP A 48 50.923 9.485 8.054 1.00 0.00 N ATOM 981 CA ASP A 48 51.940 9.757 7.025 1.00 0.00 C ATOM 982 C ASP A 48 51.295 10.175 5.710 1.00 0.00 C ATOM 983 O ASP A 48 51.941 10.760 4.845 1.00 0.00 O ATOM 984 CB ASP A 48 52.858 8.546 6.811 1.00 0.00 C ATOM 985 CG ASP A 48 52.142 7.336 6.240 1.00 0.00 C ATOM 986 OD1 ASP A 48 51.618 6.519 7.035 1.00 0.00 O ATOM 987 OD2 ASP A 48 52.110 7.181 5.001 1.00 0.00 O ATOM 0 H ASP A 48 50.874 8.510 8.349 1.00 0.00 H new ATOM 0 HA ASP A 48 52.551 10.585 7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 48 53.668 8.829 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 53.313 8.273 7.763 1.00 0.00 H new ATOM 992 N ASP A 49 50.010 9.877 5.574 1.00 0.00 N ATOM 993 CA ASP A 49 49.242 10.266 4.393 1.00 0.00 C ATOM 994 C ASP A 49 48.875 11.753 4.469 1.00 0.00 C ATOM 995 O ASP A 49 48.316 12.317 3.529 1.00 0.00 O ATOM 996 CB ASP A 49 47.970 9.412 4.296 1.00 0.00 C ATOM 997 CG ASP A 49 47.127 9.733 3.078 1.00 0.00 C ATOM 998 OD1 ASP A 49 47.516 9.337 1.962 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.070 10.380 3.234 1.00 0.00 O ATOM 0 H ASP A 49 49.472 9.363 6.271 1.00 0.00 H new ATOM 0 HA ASP A 49 49.850 10.101 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 49 48.249 8.359 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 47.371 9.561 5.194 1.00 0.00 H new ATOM 1004 N ARG A 50 49.220 12.373 5.613 1.00 0.00 N ATOM 1005 CA ARG A 50 48.930 13.787 5.904 1.00 0.00 C ATOM 1006 C ARG A 50 47.494 13.971 6.356 1.00 0.00 C ATOM 1007 O ARG A 50 47.050 15.088 6.623 1.00 0.00 O ATOM 1008 CB ARG A 50 49.260 14.711 4.717 1.00 0.00 C ATOM 1009 CG ARG A 50 50.745 14.816 4.414 1.00 0.00 C ATOM 1010 CD ARG A 50 51.497 15.452 5.571 1.00 0.00 C ATOM 1011 NE ARG A 50 51.019 16.805 5.852 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.153 17.429 7.022 1.00 0.00 C ATOM 1013 NH1 ARG A 50 51.739 16.818 8.045 1.00 0.00 N ATOM 1014 NH2 ARG A 50 50.698 18.663 7.169 1.00 0.00 N ATOM 0 H ARG A 50 49.714 11.899 6.369 1.00 0.00 H new ATOM 0 HA ARG A 50 49.585 14.079 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.743 14.345 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.870 15.707 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.150 13.824 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.894 15.408 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.383 14.834 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 50 52.562 15.484 5.339 1.00 0.00 H new ATOM 0 HE ARG A 50 50.549 17.307 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.089 15.866 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.839 17.301 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 50 50.245 19.136 6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.800 19.141 8.064 1.00 0.00 H new ATOM 1028 N SER A 51 46.780 12.869 6.456 1.00 0.00 N ATOM 1029 CA SER A 51 45.413 12.889 6.907 1.00 0.00 C ATOM 1030 C SER A 51 45.380 13.037 8.424 1.00 0.00 C ATOM 1031 O SER A 51 46.179 12.421 9.136 1.00 0.00 O ATOM 1032 CB SER A 51 44.700 11.599 6.483 1.00 0.00 C ATOM 1033 OG SER A 51 43.305 11.664 6.749 1.00 0.00 O ATOM 0 H SER A 51 47.133 11.940 6.227 1.00 0.00 H new ATOM 0 HA SER A 51 44.896 13.735 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.861 11.426 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 51 45.134 10.751 7.013 1.00 0.00 H new ATOM 0 HG SER A 51 42.809 11.300 5.986 1.00 0.00 H new ATOM 1039 N SER A 52 44.480 13.860 8.908 1.00 0.00 N ATOM 1040 CA SER A 52 44.355 14.091 10.325 1.00 0.00 C ATOM 1041 C SER A 52 42.957 13.732 10.802 1.00 0.00 C ATOM 1042 O SER A 52 41.963 14.163 10.213 1.00 0.00 O ATOM 1043 CB SER A 52 44.677 15.549 10.648 1.00 0.00 C ATOM 1044 OG SER A 52 43.897 16.435 9.852 1.00 0.00 O ATOM 0 H SER A 52 43.819 14.384 8.335 1.00 0.00 H new ATOM 0 HA SER A 52 45.067 13.453 10.849 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.487 15.741 11.704 1.00 0.00 H new ATOM 0 HB3 SER A 52 45.737 15.737 10.475 1.00 0.00 H new ATOM 0 HG SER A 52 43.024 16.029 9.670 1.00 0.00 H new ATOM 1050 N THR A 53 42.884 12.936 11.848 1.00 0.00 N ATOM 1051 CA THR A 53 41.613 12.515 12.398 1.00 0.00 C ATOM 1052 C THR A 53 41.732 12.353 13.910 1.00 0.00 C ATOM 1053 O THR A 53 42.795 11.981 14.414 1.00 0.00 O ATOM 1054 CB THR A 53 41.163 11.170 11.775 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.340 11.207 10.349 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.698 10.888 12.091 1.00 0.00 C ATOM 0 H THR A 53 43.698 12.565 12.338 1.00 0.00 H new ATOM 0 HA THR A 53 40.870 13.278 12.165 1.00 0.00 H new ATOM 0 HB THR A 53 41.775 10.376 12.203 1.00 0.00 H new ATOM 0 HG1 THR A 53 40.515 10.914 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.405 9.938 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.562 10.837 13.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.078 11.687 11.685 1.00 0.00 H new ATOM 1064 N TRP A 54 40.664 12.650 14.628 1.00 0.00 N ATOM 1065 CA TRP A 54 40.669 12.501 16.068 1.00 0.00 C ATOM 1066 C TRP A 54 40.078 11.157 16.460 1.00 0.00 C ATOM 1067 O TRP A 54 39.050 10.727 15.915 1.00 0.00 O ATOM 1068 CB TRP A 54 39.913 13.651 16.756 1.00 0.00 C ATOM 1069 CG TRP A 54 38.435 13.676 16.481 1.00 0.00 C ATOM 1070 CD1 TRP A 54 37.810 14.221 15.399 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.397 13.136 17.313 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.452 14.050 15.502 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.174 13.385 16.666 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.387 12.461 18.538 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 34.952 12.987 17.204 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.175 12.067 19.069 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.974 12.330 18.404 1.00 0.00 C ATOM 0 H TRP A 54 39.787 12.994 14.238 1.00 0.00 H new ATOM 0 HA TRP A 54 41.704 12.541 16.407 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.069 13.579 17.832 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.346 14.598 16.434 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.311 14.716 14.580 1.00 0.00 H new ATOM 0 HE1 TRP A 54 35.762 14.367 14.821 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.310 12.252 19.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.022 13.189 16.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 36.155 11.546 20.015 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.043 12.008 18.847 1.00 0.00 H new ATOM 1088 N PHE A 55 40.732 10.489 17.374 1.00 0.00 N ATOM 1089 CA PHE A 55 40.278 9.199 17.847 1.00 0.00 C ATOM 1090 C PHE A 55 40.253 9.186 19.359 1.00 0.00 C ATOM 1091 O PHE A 55 40.870 10.034 19.996 1.00 0.00 O ATOM 1092 CB PHE A 55 41.193 8.088 17.331 1.00 0.00 C ATOM 1093 CG PHE A 55 41.276 8.018 15.836 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.303 7.362 15.103 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.325 8.614 15.161 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.378 7.301 13.726 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.405 8.557 13.789 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.430 7.899 13.071 1.00 0.00 C ATOM 0 H PHE A 55 41.592 10.819 17.813 1.00 0.00 H new ATOM 0 HA PHE A 55 39.271 9.023 17.470 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.194 8.238 17.735 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.836 7.131 17.711 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.475 6.892 15.614 1.00 0.00 H new ATOM 0 HD2 PHE A 55 43.092 9.131 15.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.613 6.785 13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.231 9.027 13.275 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.492 7.853 11.994 1.00 0.00 H new ATOM 1108 N PHE A 56 39.541 8.240 19.930 1.00 0.00 N ATOM 1109 CA PHE A 56 39.467 8.133 21.377 1.00 0.00 C ATOM 1110 C PHE A 56 40.737 7.500 21.928 1.00 0.00 C ATOM 1111 O PHE A 56 41.378 6.692 21.258 1.00 0.00 O ATOM 1112 CB PHE A 56 38.247 7.309 21.815 1.00 0.00 C ATOM 1113 CG PHE A 56 36.919 7.893 21.411 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.361 7.597 20.181 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.231 8.734 22.267 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.141 8.129 19.813 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.010 9.271 21.904 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.465 8.966 20.674 1.00 0.00 C ATOM 0 H PHE A 56 39.006 7.536 19.421 1.00 0.00 H new ATOM 0 HA PHE A 56 39.363 9.141 21.777 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.332 6.307 21.394 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.267 7.202 22.900 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.885 6.942 19.500 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.653 8.974 23.232 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.716 7.889 18.850 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.484 9.927 22.581 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.511 9.382 20.387 1.00 0.00 H new ATOM 1128 N GLU A 57 41.088 7.870 23.148 1.00 0.00 N ATOM 1129 CA GLU A 57 42.264 7.325 23.835 1.00 0.00 C ATOM 1130 C GLU A 57 42.220 5.789 23.908 1.00 0.00 C ATOM 1131 O GLU A 57 43.254 5.123 23.898 1.00 0.00 O ATOM 1132 CB GLU A 57 42.344 7.901 25.247 1.00 0.00 C ATOM 1133 CG GLU A 57 41.018 7.847 25.992 1.00 0.00 C ATOM 1134 CD GLU A 57 41.155 8.154 27.461 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.159 9.343 27.825 1.00 0.00 O ATOM 1136 OE2 GLU A 57 41.241 7.198 28.262 1.00 0.00 O ATOM 0 H GLU A 57 40.570 8.557 23.697 1.00 0.00 H new ATOM 0 HA GLU A 57 43.147 7.609 23.263 1.00 0.00 H new ATOM 0 HB2 GLU A 57 43.095 7.352 25.815 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.681 8.936 25.192 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.325 8.557 25.541 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.581 6.856 25.873 1.00 0.00 H new ATOM 1143 N ASP A 58 41.014 5.246 23.981 1.00 0.00 N ATOM 1144 CA ASP A 58 40.812 3.798 24.079 1.00 0.00 C ATOM 1145 C ASP A 58 40.657 3.175 22.690 1.00 0.00 C ATOM 1146 O ASP A 58 40.757 1.955 22.514 1.00 0.00 O ATOM 1147 CB ASP A 58 39.564 3.520 24.921 1.00 0.00 C ATOM 1148 CG ASP A 58 39.330 2.050 25.164 1.00 0.00 C ATOM 1149 OD1 ASP A 58 39.912 1.508 26.120 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.558 1.431 24.406 1.00 0.00 O ATOM 0 H ASP A 58 40.150 5.788 23.974 1.00 0.00 H new ATOM 0 HA ASP A 58 41.685 3.350 24.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.659 4.030 25.880 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.693 3.942 24.420 1.00 0.00 H new ATOM 1155 N GLU A 59 40.441 4.025 21.713 1.00 0.00 N ATOM 1156 CA GLU A 59 40.207 3.612 20.337 1.00 0.00 C ATOM 1157 C GLU A 59 41.540 3.417 19.593 1.00 0.00 C ATOM 1158 O GLU A 59 41.620 2.684 18.607 1.00 0.00 O ATOM 1159 CB GLU A 59 39.303 4.667 19.673 1.00 0.00 C ATOM 1160 CG GLU A 59 39.079 4.548 18.192 1.00 0.00 C ATOM 1161 CD GLU A 59 38.081 5.582 17.710 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.399 6.779 17.775 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.960 5.209 17.301 1.00 0.00 O ATOM 0 H GLU A 59 40.421 5.036 21.847 1.00 0.00 H new ATOM 0 HA GLU A 59 39.703 2.646 20.302 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.331 4.636 20.165 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.730 5.650 19.872 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.025 4.677 17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.716 3.548 17.954 1.00 0.00 H new ATOM 1170 N VAL A 60 42.587 4.054 20.099 1.00 0.00 N ATOM 1171 CA VAL A 60 43.922 3.911 19.528 1.00 0.00 C ATOM 1172 C VAL A 60 44.883 3.330 20.555 1.00 0.00 C ATOM 1173 O VAL A 60 44.559 3.239 21.743 1.00 0.00 O ATOM 1174 CB VAL A 60 44.488 5.259 19.016 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.675 5.776 17.847 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.536 6.292 20.137 1.00 0.00 C ATOM 0 H VAL A 60 42.539 4.676 20.906 1.00 0.00 H new ATOM 0 HA VAL A 60 43.827 3.234 18.679 1.00 0.00 H new ATOM 0 HB VAL A 60 45.508 5.085 18.672 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.091 6.723 17.505 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.706 5.051 17.034 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.642 5.926 18.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.937 7.229 19.751 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.530 6.459 20.521 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.175 5.927 20.941 1.00 0.00 H new ATOM 1186 N GLU A 61 46.053 2.924 20.097 1.00 0.00 N ATOM 1187 CA GLU A 61 47.082 2.401 20.978 1.00 0.00 C ATOM 1188 C GLU A 61 48.442 2.959 20.590 1.00 0.00 C ATOM 1189 O GLU A 61 48.689 3.242 19.415 1.00 0.00 O ATOM 1190 CB GLU A 61 47.093 0.869 20.967 1.00 0.00 C ATOM 1191 CG GLU A 61 47.271 0.238 19.594 1.00 0.00 C ATOM 1192 CD GLU A 61 47.215 -1.276 19.653 1.00 0.00 C ATOM 1193 OE1 GLU A 61 46.310 -1.818 20.327 1.00 0.00 O ATOM 1194 OE2 GLU A 61 48.077 -1.934 19.027 1.00 0.00 O ATOM 0 H GLU A 61 46.316 2.947 19.112 1.00 0.00 H new ATOM 0 HA GLU A 61 46.856 2.720 21.995 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.896 0.522 21.617 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.158 0.511 21.397 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.493 0.604 18.923 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.227 0.549 19.173 1.00 0.00 H new ATOM 1201 N VAL A 62 49.311 3.122 21.572 1.00 0.00 N ATOM 1202 CA VAL A 62 50.633 3.686 21.339 1.00 0.00 C ATOM 1203 C VAL A 62 51.552 2.650 20.699 1.00 0.00 C ATOM 1204 O VAL A 62 51.721 1.541 21.225 1.00 0.00 O ATOM 1205 CB VAL A 62 51.265 4.200 22.653 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.535 4.983 22.369 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.271 5.054 23.428 1.00 0.00 C ATOM 0 H VAL A 62 49.126 2.871 22.543 1.00 0.00 H new ATOM 0 HA VAL A 62 50.514 4.530 20.660 1.00 0.00 H new ATOM 0 HB VAL A 62 51.527 3.337 23.265 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.963 5.335 23.308 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.254 4.339 21.862 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.301 5.837 21.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.735 5.406 24.349 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.975 5.909 22.821 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.390 4.459 23.669 1.00 0.00 H new ATOM 1217 N VAL A 63 52.148 3.009 19.576 1.00 0.00 N ATOM 1218 CA VAL A 63 53.017 2.105 18.843 1.00 0.00 C ATOM 1219 C VAL A 63 54.298 2.817 18.445 1.00 0.00 C ATOM 1220 O VAL A 63 54.288 3.689 17.585 1.00 0.00 O ATOM 1221 CB VAL A 63 52.333 1.559 17.562 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.227 0.546 16.861 1.00 0.00 C ATOM 1223 CG2 VAL A 63 50.984 0.941 17.886 1.00 0.00 C ATOM 0 H VAL A 63 52.045 3.929 19.148 1.00 0.00 H new ATOM 0 HA VAL A 63 53.239 1.267 19.504 1.00 0.00 H new ATOM 0 HB VAL A 63 52.170 2.399 16.887 1.00 0.00 H new ATOM 0 HG11 VAL A 63 52.726 0.177 15.966 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.167 1.022 16.581 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.429 -0.288 17.533 1.00 0.00 H new ATOM 0 HG21 VAL A 63 50.526 0.566 16.971 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.120 0.118 18.587 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.336 1.695 18.333 1.00 0.00 H new ATOM 1233 N GLY A 64 55.387 2.446 19.074 1.00 0.00 N ATOM 1234 CA GLY A 64 56.654 3.053 18.767 1.00 0.00 C ATOM 1235 C GLY A 64 57.734 2.019 18.614 1.00 0.00 C ATOM 1236 O GLY A 64 57.651 0.964 19.291 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.661 2.237 17.814 1.00 0.00 O ATOM 0 H GLY A 64 55.419 1.729 19.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.569 3.631 17.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.926 3.751 19.558 1.00 0.00 H new TER 1241 GLY A 64