USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 452 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 10 THR OG1 : rot 170:sc= -1.48 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.655 X(o=-2.1,f=-2.1!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.00037) USER MOD Single : A 6 SER OG : rot -58:sc=0.000707 USER MOD Single : A 20 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.9!) USER MOD Single : A 22 ASN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 25 TYR OH : rot 0:sc= -0.432 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= -0.498 (180deg=-0.499) USER MOD Single : A 38 TYR OH : rot -6:sc= 0.376 USER MOD Single : A 39 SER OG : rot -20:sc= 1.25 USER MOD Single : A 46 ASN : amide:sc= -0.865 K(o=-0.86,f=-1.7) USER MOD Single : A 47 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.56) 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 ----------------------------------------------------------------- ATOM 1 N GLU A 1 51.182 22.325 4.787 1.00 0.00 N ATOM 2 CA GLU A 1 50.745 21.934 3.415 1.00 0.00 C ATOM 3 C GLU A 1 49.598 20.922 3.496 1.00 0.00 C ATOM 4 O GLU A 1 49.816 19.728 3.545 1.00 0.00 O ATOM 5 CB GLU A 1 51.976 21.296 2.773 1.00 0.00 C ATOM 6 CG GLU A 1 51.950 21.546 1.264 1.00 0.00 C ATOM 7 CD GLU A 1 52.762 20.463 0.552 1.00 0.00 C ATOM 8 OE1 GLU A 1 52.552 19.299 0.851 1.00 0.00 O ATOM 9 OE2 GLU A 1 53.582 20.817 -0.281 1.00 0.00 O ATOM 0 H1 GLU A 1 51.960 23.012 4.721 1.00 0.00 H new ATOM 0 H2 GLU A 1 50.384 22.755 5.296 1.00 0.00 H new ATOM 0 H3 GLU A 1 51.507 21.482 5.301 1.00 0.00 H new ATOM 0 HA GLU A 1 50.380 22.785 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 1 52.884 21.715 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 1 51.991 20.225 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 1 50.922 21.541 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 1 52.362 22.530 1.041 1.00 0.00 H new ATOM 18 N PHE A 2 48.374 21.396 3.512 1.00 0.00 N ATOM 19 CA PHE A 2 47.193 20.472 3.592 1.00 0.00 C ATOM 20 C PHE A 2 47.338 19.510 4.777 1.00 0.00 C ATOM 21 O PHE A 2 47.917 18.448 4.654 1.00 0.00 O ATOM 22 CB PHE A 2 47.188 19.696 2.271 1.00 0.00 C ATOM 23 CG PHE A 2 45.782 19.247 1.961 1.00 0.00 C ATOM 24 CD1 PHE A 2 44.764 20.195 1.797 1.00 0.00 C ATOM 25 CD2 PHE A 2 45.494 17.882 1.839 1.00 0.00 C ATOM 26 CE1 PHE A 2 43.458 19.778 1.510 1.00 0.00 C ATOM 27 CE2 PHE A 2 44.188 17.465 1.553 1.00 0.00 C ATOM 28 CZ PHE A 2 43.170 18.413 1.388 1.00 0.00 C ATOM 0 H PHE A 2 48.140 22.388 3.473 1.00 0.00 H new ATOM 0 HA PHE A 2 46.264 21.021 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 2 47.567 20.325 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 2 47.850 18.833 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 2 44.986 21.248 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 2 46.279 17.151 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 2 42.673 20.509 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 2 43.966 16.412 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 2 42.163 18.091 1.167 1.00 0.00 H new ATOM 38 N HIS A 3 46.816 19.880 5.918 1.00 0.00 N ATOM 39 CA HIS A 3 46.921 18.991 7.115 1.00 0.00 C ATOM 40 C HIS A 3 45.946 17.820 6.986 1.00 0.00 C ATOM 41 O HIS A 3 44.743 17.994 7.043 1.00 0.00 O ATOM 42 CB HIS A 3 46.545 19.873 8.308 1.00 0.00 C ATOM 43 CG HIS A 3 46.952 19.194 9.590 1.00 0.00 C ATOM 44 ND1 HIS A 3 46.582 19.684 10.834 1.00 0.00 N ATOM 45 CD2 HIS A 3 47.695 18.064 9.840 1.00 0.00 C ATOM 46 CE1 HIS A 3 47.098 18.861 11.764 1.00 0.00 C ATOM 47 NE2 HIS A 3 47.785 17.857 11.213 1.00 0.00 N ATOM 0 H HIS A 3 46.322 20.759 6.073 1.00 0.00 H new ATOM 0 HA HIS A 3 47.919 18.567 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 3 47.038 20.842 8.226 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.471 20.061 8.310 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.141 17.433 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.972 18.996 12.828 1.00 0.00 H new ATOM 0 HE2 HIS A 3 48.271 17.101 11.695 1.00 0.00 H new ATOM 55 N GLY A 4 46.459 16.629 6.815 1.00 0.00 N ATOM 56 CA GLY A 4 45.573 15.436 6.684 1.00 0.00 C ATOM 57 C GLY A 4 46.100 14.305 7.587 1.00 0.00 C ATOM 58 O GLY A 4 47.078 14.498 8.283 1.00 0.00 O ATOM 0 H GLY A 4 47.458 16.432 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.552 15.695 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.543 15.104 5.646 1.00 0.00 H new ATOM 62 N PRO A 5 45.447 13.153 7.565 1.00 0.00 N ATOM 63 CA PRO A 5 45.899 12.024 8.412 1.00 0.00 C ATOM 64 C PRO A 5 47.314 11.591 8.022 1.00 0.00 C ATOM 65 O PRO A 5 48.072 12.358 7.458 1.00 0.00 O ATOM 66 CB PRO A 5 44.876 10.925 8.094 1.00 0.00 C ATOM 67 CG PRO A 5 43.868 11.469 7.064 1.00 0.00 C ATOM 68 CD PRO A 5 44.249 12.913 6.714 1.00 0.00 C ATOM 0 HA PRO A 5 45.947 12.268 9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.380 10.043 7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 5 44.358 10.617 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.873 10.849 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.857 11.433 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.477 13.026 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.444 13.611 6.943 1.00 0.00 H new ATOM 76 N SER A 6 47.672 10.371 8.323 1.00 0.00 N ATOM 77 CA SER A 6 49.038 9.878 7.978 1.00 0.00 C ATOM 78 C SER A 6 49.001 8.384 7.639 1.00 0.00 C ATOM 79 O SER A 6 49.920 7.650 7.951 1.00 0.00 O ATOM 80 CB SER A 6 49.870 10.123 9.235 1.00 0.00 C ATOM 81 OG SER A 6 51.245 10.193 8.880 1.00 0.00 O ATOM 0 H SER A 6 47.075 9.692 8.795 1.00 0.00 H new ATOM 0 HA SER A 6 49.451 10.385 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.559 11.050 9.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.708 9.320 9.955 1.00 0.00 H new ATOM 0 HG SER A 6 51.511 9.361 8.435 1.00 0.00 H new ATOM 87 N TRP A 7 47.950 7.932 6.997 1.00 0.00 N ATOM 88 CA TRP A 7 47.859 6.484 6.633 1.00 0.00 C ATOM 89 C TRP A 7 47.294 6.301 5.214 1.00 0.00 C ATOM 90 O TRP A 7 46.852 5.228 4.854 1.00 0.00 O ATOM 91 CB TRP A 7 46.933 5.846 7.677 1.00 0.00 C ATOM 92 CG TRP A 7 45.596 6.520 7.671 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.284 7.629 8.377 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.390 6.140 6.950 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.965 7.960 8.129 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.371 7.073 7.255 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.086 5.090 6.066 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.094 6.966 6.705 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.801 4.980 5.510 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.808 5.916 5.828 1.00 0.00 C ATOM 0 H TRP A 7 47.154 8.502 6.711 1.00 0.00 H new ATOM 0 HA TRP A 7 48.843 6.015 6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.813 4.784 7.465 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.382 5.924 8.667 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.955 8.169 9.029 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.489 8.762 8.542 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.845 4.364 5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.332 7.689 6.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.577 4.169 4.833 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.822 5.826 5.396 1.00 0.00 H new ATOM 111 N CYS A 8 47.326 7.333 4.401 1.00 0.00 N ATOM 112 CA CYS A 8 46.812 7.206 2.997 1.00 0.00 C ATOM 113 C CYS A 8 47.976 7.363 2.014 1.00 0.00 C ATOM 114 O CYS A 8 48.014 6.728 0.979 1.00 0.00 O ATOM 115 CB CYS A 8 45.795 8.341 2.823 1.00 0.00 C ATOM 116 SG CYS A 8 44.886 8.126 1.259 1.00 0.00 S ATOM 0 H CYS A 8 47.685 8.255 4.648 1.00 0.00 H new ATOM 0 HA CYS A 8 46.352 6.236 2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.098 8.348 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 8 46.307 9.303 2.827 1.00 0.00 H new ATOM 121 N LEU A 9 48.931 8.200 2.343 1.00 0.00 N ATOM 122 CA LEU A 9 50.112 8.401 1.447 1.00 0.00 C ATOM 123 C LEU A 9 51.324 7.603 1.960 1.00 0.00 C ATOM 124 O LEU A 9 52.307 7.443 1.263 1.00 0.00 O ATOM 125 CB LEU A 9 50.402 9.903 1.508 1.00 0.00 C ATOM 126 CG LEU A 9 49.258 10.679 0.855 1.00 0.00 C ATOM 127 CD1 LEU A 9 49.446 12.177 1.109 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.260 10.416 -0.654 1.00 0.00 C ATOM 0 H LEU A 9 48.942 8.755 3.199 1.00 0.00 H new ATOM 0 HA LEU A 9 49.916 8.058 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.522 10.218 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.340 10.122 0.998 1.00 0.00 H new ATOM 0 HG LEU A 9 48.309 10.354 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 48.630 12.730 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 9 49.447 12.367 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 9 50.395 12.502 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.445 10.969 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.209 10.742 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.127 9.350 -0.838 1.00 0.00 H new ATOM 140 N THR A 10 51.260 7.104 3.174 1.00 0.00 N ATOM 141 CA THR A 10 52.409 6.321 3.733 1.00 0.00 C ATOM 142 C THR A 10 52.730 5.111 2.830 1.00 0.00 C ATOM 143 O THR A 10 51.842 4.592 2.182 1.00 0.00 O ATOM 144 CB THR A 10 51.937 5.855 5.119 1.00 0.00 C ATOM 145 OG1 THR A 10 52.958 5.079 5.732 1.00 0.00 O ATOM 146 CG2 THR A 10 50.668 5.006 4.981 1.00 0.00 C ATOM 0 H THR A 10 50.462 7.206 3.801 1.00 0.00 H new ATOM 0 HA THR A 10 53.321 6.916 3.792 1.00 0.00 H new ATOM 0 HB THR A 10 51.720 6.728 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.727 4.918 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.340 4.679 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.882 5.600 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.879 4.134 4.362 1.00 0.00 H new ATOM 154 N PRO A 11 53.987 4.682 2.803 1.00 0.00 N ATOM 155 CA PRO A 11 54.360 3.522 1.956 1.00 0.00 C ATOM 156 C PRO A 11 53.580 2.274 2.380 1.00 0.00 C ATOM 157 O PRO A 11 52.857 2.288 3.357 1.00 0.00 O ATOM 158 CB PRO A 11 55.858 3.357 2.239 1.00 0.00 C ATOM 159 CG PRO A 11 56.296 4.435 3.248 1.00 0.00 C ATOM 160 CD PRO A 11 55.087 5.312 3.591 1.00 0.00 C ATOM 0 HA PRO A 11 54.138 3.666 0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.059 2.363 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.429 3.451 1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.692 3.969 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 57.096 5.044 2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.873 5.306 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.247 6.351 3.303 1.00 0.00 H new ATOM 168 N ALA A 12 53.726 1.198 1.649 1.00 0.00 N ATOM 169 CA ALA A 12 53.001 -0.059 2.001 1.00 0.00 C ATOM 170 C ALA A 12 53.932 -1.005 2.762 1.00 0.00 C ATOM 171 O ALA A 12 55.117 -1.071 2.488 1.00 0.00 O ATOM 172 CB ALA A 12 52.595 -0.673 0.662 1.00 0.00 C ATOM 0 H ALA A 12 54.318 1.137 0.821 1.00 0.00 H new ATOM 0 HA ALA A 12 52.138 0.127 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.055 -1.604 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 12 51.953 0.023 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.487 -0.877 0.070 1.00 0.00 H new ATOM 178 N ASP A 13 53.405 -1.738 3.713 1.00 0.00 N ATOM 179 CA ASP A 13 54.262 -2.684 4.489 1.00 0.00 C ATOM 180 C ASP A 13 54.454 -3.982 3.704 1.00 0.00 C ATOM 181 O ASP A 13 53.501 -4.648 3.344 1.00 0.00 O ATOM 182 CB ASP A 13 53.506 -2.953 5.791 1.00 0.00 C ATOM 183 CG ASP A 13 54.410 -3.751 6.734 1.00 0.00 C ATOM 184 OD1 ASP A 13 55.594 -3.462 6.773 1.00 0.00 O ATOM 185 OD2 ASP A 13 53.904 -4.640 7.399 1.00 0.00 O ATOM 0 H ASP A 13 52.422 -1.721 3.984 1.00 0.00 H new ATOM 0 HA ASP A 13 55.253 -2.272 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.212 -2.013 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.590 -3.508 5.587 1.00 0.00 H new ATOM 190 N ARG A 14 55.682 -4.340 3.438 1.00 0.00 N ATOM 191 CA ARG A 14 55.956 -5.592 2.672 1.00 0.00 C ATOM 192 C ARG A 14 57.141 -6.339 3.294 1.00 0.00 C ATOM 193 O ARG A 14 58.050 -6.754 2.599 1.00 0.00 O ATOM 194 CB ARG A 14 56.305 -5.113 1.260 1.00 0.00 C ATOM 195 CG ARG A 14 56.111 -6.260 0.263 1.00 0.00 C ATOM 196 CD ARG A 14 56.979 -6.015 -0.976 1.00 0.00 C ATOM 197 NE ARG A 14 56.652 -7.133 -1.903 1.00 0.00 N ATOM 198 CZ ARG A 14 57.495 -7.474 -2.839 1.00 0.00 C ATOM 199 NH1 ARG A 14 57.574 -6.768 -3.935 1.00 0.00 N ATOM 200 NH2 ARG A 14 58.259 -8.520 -2.679 1.00 0.00 N ATOM 0 H ARG A 14 56.511 -3.817 3.719 1.00 0.00 H new ATOM 0 HA ARG A 14 55.110 -6.279 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 14 55.673 -4.269 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.336 -4.762 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.381 -7.209 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.062 -6.333 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.756 -5.049 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.039 -6.011 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 14 55.768 -7.633 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 14 56.977 -5.950 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.233 -7.034 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.197 -9.071 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.918 -8.787 -3.410 1.00 0.00 H new ATOM 214 N GLY A 15 57.140 -6.511 4.598 1.00 0.00 N ATOM 215 CA GLY A 15 58.273 -7.227 5.258 1.00 0.00 C ATOM 216 C GLY A 15 57.812 -7.848 6.580 1.00 0.00 C ATOM 217 O GLY A 15 56.711 -8.353 6.695 1.00 0.00 O ATOM 0 H GLY A 15 56.406 -6.187 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.655 -8.005 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.093 -6.533 5.441 1.00 0.00 H new ATOM 221 N LEU A 16 58.662 -7.819 7.581 1.00 0.00 N ATOM 222 CA LEU A 16 58.311 -8.408 8.917 1.00 0.00 C ATOM 223 C LEU A 16 57.894 -9.887 8.765 1.00 0.00 C ATOM 224 O LEU A 16 58.725 -10.773 8.814 1.00 0.00 O ATOM 225 CB LEU A 16 57.159 -7.549 9.459 1.00 0.00 C ATOM 226 CG LEU A 16 57.722 -6.293 10.122 1.00 0.00 C ATOM 227 CD1 LEU A 16 56.703 -5.159 10.012 1.00 0.00 C ATOM 228 CD2 LEU A 16 58.010 -6.576 11.599 1.00 0.00 C ATOM 0 H LEU A 16 59.594 -7.408 7.529 1.00 0.00 H new ATOM 0 HA LEU A 16 59.159 -8.401 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.485 -7.273 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 16 56.574 -8.121 10.179 1.00 0.00 H new ATOM 0 HG LEU A 16 58.646 -6.004 9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.104 -4.262 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.498 -4.954 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.779 -5.450 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.412 -5.679 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.087 -6.867 12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 16 58.737 -7.384 11.680 1.00 0.00 H new ATOM 240 N CYS A 17 56.622 -10.158 8.575 1.00 0.00 N ATOM 241 CA CYS A 17 56.158 -11.569 8.411 1.00 0.00 C ATOM 242 C CYS A 17 56.503 -12.042 6.991 1.00 0.00 C ATOM 243 O CYS A 17 57.192 -11.354 6.259 1.00 0.00 O ATOM 244 CB CYS A 17 54.636 -11.506 8.608 1.00 0.00 C ATOM 245 SG CYS A 17 54.208 -11.632 10.369 1.00 0.00 S ATOM 0 H CYS A 17 55.884 -9.456 8.527 1.00 0.00 H new ATOM 0 HA CYS A 17 56.624 -12.261 9.113 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.251 -10.571 8.201 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.159 -12.315 8.054 1.00 0.00 H new ATOM 250 N ARG A 18 56.028 -13.198 6.593 1.00 0.00 N ATOM 251 CA ARG A 18 56.328 -13.695 5.212 1.00 0.00 C ATOM 252 C ARG A 18 55.058 -14.254 4.560 1.00 0.00 C ATOM 253 O ARG A 18 55.041 -15.364 4.061 1.00 0.00 O ATOM 254 CB ARG A 18 57.369 -14.804 5.390 1.00 0.00 C ATOM 255 CG ARG A 18 58.760 -14.183 5.537 1.00 0.00 C ATOM 256 CD ARG A 18 59.441 -14.102 4.165 1.00 0.00 C ATOM 257 NE ARG A 18 60.206 -12.823 4.195 1.00 0.00 N ATOM 258 CZ ARG A 18 60.164 -12.011 3.172 1.00 0.00 C ATOM 259 NH1 ARG A 18 59.016 -11.563 2.744 1.00 0.00 N ATOM 260 NH2 ARG A 18 61.269 -11.644 2.582 1.00 0.00 N ATOM 0 H ARG A 18 55.449 -13.816 7.161 1.00 0.00 H new ATOM 0 HA ARG A 18 56.696 -12.897 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.132 -15.402 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.349 -15.477 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.679 -13.187 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.365 -14.781 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.101 -14.954 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.708 -14.106 3.358 1.00 0.00 H new ATOM 0 HE ARG A 18 60.763 -12.581 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.153 -11.847 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 58.981 -10.929 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 18 62.167 -11.991 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 61.235 -11.010 1.784 1.00 0.00 H new ATOM 274 N ALA A 19 53.997 -13.486 4.557 1.00 0.00 N ATOM 275 CA ALA A 19 52.723 -13.959 3.938 1.00 0.00 C ATOM 276 C ALA A 19 52.585 -13.398 2.520 1.00 0.00 C ATOM 277 O ALA A 19 52.812 -12.228 2.280 1.00 0.00 O ATOM 278 CB ALA A 19 51.619 -13.414 4.843 1.00 0.00 C ATOM 0 H ALA A 19 53.959 -12.549 4.958 1.00 0.00 H new ATOM 0 HA ALA A 19 52.681 -15.045 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 50.647 -13.719 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.747 -13.808 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.674 -12.326 4.869 1.00 0.00 H new ATOM 284 N ASN A 20 52.220 -14.228 1.579 1.00 0.00 N ATOM 285 CA ASN A 20 52.069 -13.754 0.170 1.00 0.00 C ATOM 286 C ASN A 20 50.634 -13.277 -0.094 1.00 0.00 C ATOM 287 O ASN A 20 49.983 -13.736 -1.016 1.00 0.00 O ATOM 288 CB ASN A 20 52.400 -14.977 -0.685 1.00 0.00 C ATOM 289 CG ASN A 20 52.337 -14.603 -2.167 1.00 0.00 C ATOM 290 OD1 ASN A 20 53.003 -13.685 -2.604 1.00 0.00 O ATOM 291 ND2 ASN A 20 51.557 -15.281 -2.963 1.00 0.00 N ATOM 0 H ASN A 20 52.019 -15.217 1.725 1.00 0.00 H new ATOM 0 HA ASN A 20 52.717 -12.907 -0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.394 -15.349 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 20 51.696 -15.782 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 20 51.506 -15.041 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 20 50.998 -16.051 -2.595 1.00 0.00 H new ATOM 298 N GLU A 21 50.138 -12.355 0.697 1.00 0.00 N ATOM 299 CA GLU A 21 48.749 -11.847 0.476 1.00 0.00 C ATOM 300 C GLU A 21 48.759 -10.740 -0.580 1.00 0.00 C ATOM 301 O GLU A 21 49.712 -9.998 -0.701 1.00 0.00 O ATOM 302 CB GLU A 21 48.298 -11.291 1.828 1.00 0.00 C ATOM 303 CG GLU A 21 47.937 -12.447 2.764 1.00 0.00 C ATOM 304 CD GLU A 21 47.510 -11.893 4.124 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.617 -11.062 4.152 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.082 -12.311 5.118 1.00 0.00 O ATOM 0 H GLU A 21 50.634 -11.934 1.483 1.00 0.00 H new ATOM 0 HA GLU A 21 48.079 -12.629 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.092 -10.688 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.437 -10.636 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.130 -13.039 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 21 48.792 -13.112 2.883 1.00 0.00 H new ATOM 313 N ASN A 22 47.709 -10.629 -1.348 1.00 0.00 N ATOM 314 CA ASN A 22 47.652 -9.574 -2.404 1.00 0.00 C ATOM 315 C ASN A 22 46.756 -8.417 -1.952 1.00 0.00 C ATOM 316 O ASN A 22 45.589 -8.359 -2.290 1.00 0.00 O ATOM 317 CB ASN A 22 47.049 -10.272 -3.621 1.00 0.00 C ATOM 318 CG ASN A 22 47.633 -9.669 -4.898 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.135 -8.681 -5.401 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.678 -10.224 -5.449 1.00 0.00 N ATOM 0 H ASN A 22 46.884 -11.226 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 22 48.633 -9.149 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.260 -11.341 -3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 22 45.965 -10.161 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 22 49.076 -9.828 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 22 49.097 -11.053 -5.028 1.00 0.00 H new ATOM 327 N ARG A 23 47.294 -7.496 -1.190 1.00 0.00 N ATOM 328 CA ARG A 23 46.471 -6.337 -0.715 1.00 0.00 C ATOM 329 C ARG A 23 46.568 -5.171 -1.700 1.00 0.00 C ATOM 330 O ARG A 23 47.536 -5.041 -2.420 1.00 0.00 O ATOM 331 CB ARG A 23 47.075 -5.935 0.629 1.00 0.00 C ATOM 332 CG ARG A 23 46.654 -6.939 1.703 1.00 0.00 C ATOM 333 CD ARG A 23 45.203 -6.669 2.110 1.00 0.00 C ATOM 334 NE ARG A 23 44.755 -7.916 2.788 1.00 0.00 N ATOM 335 CZ ARG A 23 44.092 -7.845 3.910 1.00 0.00 C ATOM 336 NH1 ARG A 23 44.587 -7.182 4.920 1.00 0.00 N ATOM 337 NH2 ARG A 23 42.934 -8.437 4.023 1.00 0.00 N ATOM 0 H ARG A 23 48.265 -7.495 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 23 45.417 -6.601 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.162 -5.901 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.743 -4.934 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.754 -7.956 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.308 -6.856 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.134 -5.810 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.584 -6.448 1.241 1.00 0.00 H new ATOM 0 HE ARG A 23 44.966 -8.825 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 23 45.492 -6.719 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 23 44.069 -7.127 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 23 42.547 -8.955 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.416 -8.381 4.900 1.00 0.00 H new ATOM 351 N PHE A 24 45.574 -4.319 -1.724 1.00 0.00 N ATOM 352 CA PHE A 24 45.606 -3.145 -2.649 1.00 0.00 C ATOM 353 C PHE A 24 46.224 -1.931 -1.943 1.00 0.00 C ATOM 354 O PHE A 24 45.637 -1.361 -1.043 1.00 0.00 O ATOM 355 CB PHE A 24 44.144 -2.886 -3.008 1.00 0.00 C ATOM 356 CG PHE A 24 43.653 -3.983 -3.920 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.809 -3.863 -5.307 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.045 -5.122 -3.380 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.354 -4.882 -6.152 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.591 -6.141 -4.224 1.00 0.00 C ATOM 361 CZ PHE A 24 42.745 -6.021 -5.611 1.00 0.00 C ATOM 0 H PHE A 24 44.740 -4.386 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 24 46.211 -3.330 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.536 -2.850 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 24 44.044 -1.918 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.280 -2.985 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.926 -5.214 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.473 -4.790 -7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.122 -7.020 -3.806 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.394 -6.807 -6.263 1.00 0.00 H new ATOM 371 N TYR A 25 47.406 -1.537 -2.346 1.00 0.00 N ATOM 372 CA TYR A 25 48.077 -0.362 -1.706 1.00 0.00 C ATOM 373 C TYR A 25 47.692 0.930 -2.444 1.00 0.00 C ATOM 374 O TYR A 25 47.569 0.950 -3.653 1.00 0.00 O ATOM 375 CB TYR A 25 49.584 -0.679 -1.829 1.00 0.00 C ATOM 376 CG TYR A 25 50.444 0.552 -1.617 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.163 1.445 -0.576 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.531 0.789 -2.466 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.967 2.574 -0.386 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.336 1.916 -2.276 1.00 0.00 C ATOM 381 CZ TYR A 25 52.055 2.811 -1.236 1.00 0.00 C ATOM 382 OH TYR A 25 52.849 3.924 -1.050 1.00 0.00 O ATOM 0 H TYR A 25 47.938 -1.980 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 25 47.786 -0.205 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.855 -1.440 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.787 -1.097 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.325 1.262 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.748 0.100 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.749 3.263 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.175 2.097 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 25 52.516 4.440 -0.286 1.00 0.00 H new ATOM 392 N TYR A 26 47.506 2.004 -1.717 1.00 0.00 N ATOM 393 CA TYR A 26 47.131 3.300 -2.363 1.00 0.00 C ATOM 394 C TYR A 26 48.362 3.954 -3.000 1.00 0.00 C ATOM 395 O TYR A 26 49.274 4.374 -2.313 1.00 0.00 O ATOM 396 CB TYR A 26 46.597 4.173 -1.227 1.00 0.00 C ATOM 397 CG TYR A 26 45.890 5.372 -1.810 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.540 5.283 -2.166 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.586 6.572 -1.999 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.884 6.394 -2.710 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.931 7.683 -2.544 1.00 0.00 C ATOM 402 CZ TYR A 26 44.580 7.594 -2.900 1.00 0.00 C ATOM 403 OH TYR A 26 43.934 8.688 -3.439 1.00 0.00 O ATOM 0 H TYR A 26 47.598 2.039 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 26 46.395 3.163 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.911 3.599 -0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 26 47.417 4.496 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 26 44.004 4.357 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.628 6.641 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.841 6.325 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.468 8.609 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 26 44.560 9.439 -3.502 1.00 0.00 H new ATOM 413 N ASN A 27 48.390 4.045 -4.306 1.00 0.00 N ATOM 414 CA ASN A 27 49.559 4.678 -4.990 1.00 0.00 C ATOM 415 C ASN A 27 49.477 6.203 -4.867 1.00 0.00 C ATOM 416 O ASN A 27 48.555 6.824 -5.360 1.00 0.00 O ATOM 417 CB ASN A 27 49.451 4.251 -6.454 1.00 0.00 C ATOM 418 CG ASN A 27 50.853 4.029 -7.023 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.614 4.963 -7.177 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.231 2.822 -7.346 1.00 0.00 N ATOM 0 H ASN A 27 47.655 3.709 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 27 50.508 4.371 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 27 48.865 3.336 -6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 27 48.930 5.016 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.164 2.665 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 27 50.593 2.036 -7.217 1.00 0.00 H new ATOM 427 N SER A 28 50.432 6.803 -4.204 1.00 0.00 N ATOM 428 CA SER A 28 50.415 8.290 -4.033 1.00 0.00 C ATOM 429 C SER A 28 50.880 9.007 -5.311 1.00 0.00 C ATOM 430 O SER A 28 50.894 10.222 -5.366 1.00 0.00 O ATOM 431 CB SER A 28 51.387 8.566 -2.885 1.00 0.00 C ATOM 432 OG SER A 28 52.695 8.167 -3.272 1.00 0.00 O ATOM 0 H SER A 28 51.225 6.328 -3.772 1.00 0.00 H new ATOM 0 HA SER A 28 49.410 8.657 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.378 9.626 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.078 8.022 -1.992 1.00 0.00 H new ATOM 0 HG SER A 28 53.321 8.344 -2.539 1.00 0.00 H new ATOM 438 N VAL A 29 51.256 8.277 -6.336 1.00 0.00 N ATOM 439 CA VAL A 29 51.711 8.936 -7.599 1.00 0.00 C ATOM 440 C VAL A 29 50.566 8.942 -8.614 1.00 0.00 C ATOM 441 O VAL A 29 50.139 9.985 -9.074 1.00 0.00 O ATOM 442 CB VAL A 29 52.880 8.083 -8.104 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.437 8.689 -9.395 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.986 8.050 -7.046 1.00 0.00 C ATOM 0 H VAL A 29 51.267 7.257 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 29 52.013 9.972 -7.444 1.00 0.00 H new ATOM 0 HB VAL A 29 52.528 7.070 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.268 8.082 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.654 8.715 -10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.786 9.703 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.816 7.443 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.335 9.064 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.595 7.619 -6.124 1.00 0.00 H new ATOM 454 N ILE A 30 50.069 7.783 -8.958 1.00 0.00 N ATOM 455 CA ILE A 30 48.946 7.713 -9.940 1.00 0.00 C ATOM 456 C ILE A 30 47.605 7.899 -9.217 1.00 0.00 C ATOM 457 O ILE A 30 46.718 8.566 -9.716 1.00 0.00 O ATOM 458 CB ILE A 30 49.052 6.337 -10.614 1.00 0.00 C ATOM 459 CG1 ILE A 30 48.892 5.209 -9.582 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.419 6.217 -11.297 1.00 0.00 C ATOM 461 CD1 ILE A 30 48.931 3.854 -10.294 1.00 0.00 C ATOM 0 H ILE A 30 50.391 6.883 -8.602 1.00 0.00 H new ATOM 0 HA ILE A 30 49.003 8.503 -10.689 1.00 0.00 H new ATOM 0 HB ILE A 30 48.255 6.244 -11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.689 5.265 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.950 5.323 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.501 5.242 -11.778 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.521 7.001 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.208 6.322 -10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.818 3.055 -9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.119 3.800 -11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.885 3.741 -10.809 1.00 0.00 H new ATOM 473 N GLY A 31 47.459 7.341 -8.038 1.00 0.00 N ATOM 474 CA GLY A 31 46.185 7.520 -7.277 1.00 0.00 C ATOM 475 C GLY A 31 45.455 6.186 -7.099 1.00 0.00 C ATOM 476 O GLY A 31 44.985 5.874 -6.022 1.00 0.00 O ATOM 0 H GLY A 31 48.166 6.771 -7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.400 7.953 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.540 8.223 -7.803 1.00 0.00 H new ATOM 480 N LYS A 32 45.338 5.408 -8.145 1.00 0.00 N ATOM 481 CA LYS A 32 44.612 4.103 -8.028 1.00 0.00 C ATOM 482 C LYS A 32 45.310 3.180 -7.019 1.00 0.00 C ATOM 483 O LYS A 32 46.452 3.390 -6.658 1.00 0.00 O ATOM 484 CB LYS A 32 44.619 3.495 -9.439 1.00 0.00 C ATOM 485 CG LYS A 32 46.056 3.176 -9.879 1.00 0.00 C ATOM 486 CD LYS A 32 46.241 1.656 -10.013 1.00 0.00 C ATOM 487 CE LYS A 32 46.322 1.268 -11.494 1.00 0.00 C ATOM 488 NZ LYS A 32 44.917 0.968 -11.890 1.00 0.00 N ATOM 0 H LYS A 32 45.711 5.617 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 32 43.594 4.239 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.018 2.586 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.162 4.190 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.270 3.662 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.764 3.574 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.149 1.345 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.409 1.136 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 32 46.736 2.079 -12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 46.967 0.402 -11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.890 0.694 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 44.551 0.188 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 44.328 1.813 -11.746 1.00 0.00 H new ATOM 502 N CYS A 33 44.620 2.166 -6.562 1.00 0.00 N ATOM 503 CA CYS A 33 45.219 1.223 -5.572 1.00 0.00 C ATOM 504 C CYS A 33 45.915 0.063 -6.296 1.00 0.00 C ATOM 505 O CYS A 33 45.273 -0.767 -6.911 1.00 0.00 O ATOM 506 CB CYS A 33 44.029 0.712 -4.750 1.00 0.00 C ATOM 507 SG CYS A 33 44.471 0.641 -2.994 1.00 0.00 S ATOM 0 H CYS A 33 43.661 1.950 -6.835 1.00 0.00 H new ATOM 0 HA CYS A 33 45.974 1.700 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.171 1.369 -4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.734 -0.277 -5.099 1.00 0.00 H new ATOM 512 N ARG A 34 47.224 0.002 -6.225 1.00 0.00 N ATOM 513 CA ARG A 34 47.967 -1.101 -6.907 1.00 0.00 C ATOM 514 C ARG A 34 48.133 -2.305 -5.950 1.00 0.00 C ATOM 515 O ARG A 34 48.579 -2.121 -4.834 1.00 0.00 O ATOM 516 CB ARG A 34 49.333 -0.503 -7.251 1.00 0.00 C ATOM 517 CG ARG A 34 49.348 -0.061 -8.716 1.00 0.00 C ATOM 518 CD ARG A 34 50.783 -0.095 -9.247 1.00 0.00 C ATOM 519 NE ARG A 34 50.647 0.003 -10.727 1.00 0.00 N ATOM 520 CZ ARG A 34 51.504 -0.605 -11.502 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.335 -1.864 -11.798 1.00 0.00 N ATOM 522 NH2 ARG A 34 52.525 0.048 -11.983 1.00 0.00 N ATOM 0 H ARG A 34 47.809 0.670 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 34 47.444 -1.465 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.542 0.348 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.118 -1.239 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.713 -0.718 -9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 34 48.939 0.945 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.371 0.732 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.290 -1.015 -8.957 1.00 0.00 H new ATOM 0 HE ARG A 34 49.885 0.545 -11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.534 -2.373 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.004 -2.340 -12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 34 52.654 1.034 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 34 53.195 -0.427 -12.588 1.00 0.00 H new ATOM 536 N PRO A 35 47.774 -3.509 -6.389 1.00 0.00 N ATOM 537 CA PRO A 35 47.911 -4.696 -5.507 1.00 0.00 C ATOM 538 C PRO A 35 49.386 -5.015 -5.230 1.00 0.00 C ATOM 539 O PRO A 35 50.205 -5.042 -6.130 1.00 0.00 O ATOM 540 CB PRO A 35 47.259 -5.812 -6.334 1.00 0.00 C ATOM 541 CG PRO A 35 46.779 -5.224 -7.672 1.00 0.00 C ATOM 542 CD PRO A 35 47.219 -3.758 -7.749 1.00 0.00 C ATOM 0 HA PRO A 35 47.454 -4.556 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.973 -6.617 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.420 -6.244 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.198 -5.789 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.694 -5.298 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.967 -3.600 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.383 -3.096 -7.972 1.00 0.00 H new ATOM 550 N PHE A 36 49.719 -5.283 -3.991 1.00 0.00 N ATOM 551 CA PHE A 36 51.130 -5.633 -3.644 1.00 0.00 C ATOM 552 C PHE A 36 51.138 -6.894 -2.768 1.00 0.00 C ATOM 553 O PHE A 36 50.096 -7.369 -2.349 1.00 0.00 O ATOM 554 CB PHE A 36 51.695 -4.404 -2.897 1.00 0.00 C ATOM 555 CG PHE A 36 51.087 -4.280 -1.515 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.769 -3.842 -1.367 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.847 -4.608 -0.384 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.207 -3.729 -0.090 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.286 -4.498 0.893 1.00 0.00 C ATOM 560 CZ PHE A 36 49.965 -4.058 1.041 1.00 0.00 C ATOM 0 H PHE A 36 49.071 -5.274 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 36 51.741 -5.855 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.778 -4.491 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.490 -3.500 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.183 -3.590 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.866 -4.946 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.189 -3.388 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.872 -4.752 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.531 -3.972 2.026 1.00 0.00 H new ATOM 570 N LYS A 37 52.296 -7.434 -2.485 1.00 0.00 N ATOM 571 CA LYS A 37 52.356 -8.661 -1.636 1.00 0.00 C ATOM 572 C LYS A 37 52.397 -8.277 -0.155 1.00 0.00 C ATOM 573 O LYS A 37 53.431 -7.921 0.379 1.00 0.00 O ATOM 574 CB LYS A 37 53.640 -9.387 -2.053 1.00 0.00 C ATOM 575 CG LYS A 37 53.291 -10.797 -2.539 1.00 0.00 C ATOM 576 CD LYS A 37 54.338 -11.264 -3.555 1.00 0.00 C ATOM 577 CE LYS A 37 55.520 -11.908 -2.823 1.00 0.00 C ATOM 578 NZ LYS A 37 56.593 -10.874 -2.838 1.00 0.00 N ATOM 0 H LYS A 37 53.198 -7.080 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 37 51.481 -9.297 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.144 -8.832 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.330 -9.441 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.256 -11.485 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.301 -10.801 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 37 53.893 -11.979 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.684 -10.418 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 55.250 -12.182 -1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 37 55.844 -12.820 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 57.425 -11.229 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 56.857 -10.662 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 56.247 -10.008 -2.379 1.00 0.00 H new ATOM 592 N TYR A 38 51.273 -8.352 0.506 1.00 0.00 N ATOM 593 CA TYR A 38 51.218 -8.000 1.954 1.00 0.00 C ATOM 594 C TYR A 38 51.769 -9.151 2.795 1.00 0.00 C ATOM 595 O TYR A 38 51.185 -10.216 2.868 1.00 0.00 O ATOM 596 CB TYR A 38 49.737 -7.779 2.258 1.00 0.00 C ATOM 597 CG TYR A 38 49.575 -7.313 3.684 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.175 -6.121 4.104 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.823 -8.074 4.589 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.026 -5.689 5.427 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.675 -7.643 5.912 1.00 0.00 C ATOM 602 CZ TYR A 38 49.277 -6.451 6.331 1.00 0.00 C ATOM 603 OH TYR A 38 49.131 -6.025 7.636 1.00 0.00 O ATOM 0 H TYR A 38 50.384 -8.644 0.101 1.00 0.00 H new ATOM 0 HA TYR A 38 51.815 -7.118 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.322 -7.039 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.182 -8.704 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.754 -5.534 3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.358 -8.993 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.489 -4.768 5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.096 -8.230 6.610 1.00 0.00 H new ATOM 0 HH TYR A 38 49.686 -5.231 7.785 1.00 0.00 H new ATOM 613 N SER A 39 52.889 -8.937 3.430 1.00 0.00 N ATOM 614 CA SER A 39 53.490 -10.004 4.277 1.00 0.00 C ATOM 615 C SER A 39 53.351 -9.631 5.748 1.00 0.00 C ATOM 616 O SER A 39 52.934 -10.428 6.561 1.00 0.00 O ATOM 617 CB SER A 39 54.966 -10.043 3.880 1.00 0.00 C ATOM 618 OG SER A 39 55.121 -10.858 2.726 1.00 0.00 O ATOM 0 H SER A 39 53.416 -8.064 3.398 1.00 0.00 H new ATOM 0 HA SER A 39 53.004 -10.970 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 39 55.327 -9.034 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 39 55.565 -10.437 4.701 1.00 0.00 H new ATOM 0 HG SER A 39 54.344 -11.448 2.635 1.00 0.00 H new ATOM 624 N GLY A 40 53.711 -8.417 6.086 1.00 0.00 N ATOM 625 CA GLY A 40 53.637 -7.943 7.502 1.00 0.00 C ATOM 626 C GLY A 40 52.301 -8.297 8.156 1.00 0.00 C ATOM 627 O GLY A 40 51.240 -7.969 7.658 1.00 0.00 O ATOM 0 H GLY A 40 54.060 -7.722 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 40 54.450 -8.387 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 53.780 -6.863 7.531 1.00 0.00 H new ATOM 631 N CYS A 41 52.360 -8.943 9.290 1.00 0.00 N ATOM 632 CA CYS A 41 51.113 -9.308 10.021 1.00 0.00 C ATOM 633 C CYS A 41 50.459 -8.041 10.602 1.00 0.00 C ATOM 634 O CYS A 41 49.289 -8.040 10.940 1.00 0.00 O ATOM 635 CB CYS A 41 51.576 -10.258 11.133 1.00 0.00 C ATOM 636 SG CYS A 41 52.188 -11.800 10.389 1.00 0.00 S ATOM 0 H CYS A 41 53.225 -9.235 9.744 1.00 0.00 H new ATOM 0 HA CYS A 41 50.366 -9.777 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 41 52.362 -9.789 11.724 1.00 0.00 H new ATOM 0 HB3 CYS A 41 50.751 -10.471 11.812 1.00 0.00 H new ATOM 641 N GLY A 42 51.201 -6.960 10.702 1.00 0.00 N ATOM 642 CA GLY A 42 50.629 -5.688 11.239 1.00 0.00 C ATOM 643 C GLY A 42 50.863 -4.572 10.214 1.00 0.00 C ATOM 644 O GLY A 42 49.954 -4.155 9.522 1.00 0.00 O ATOM 0 H GLY A 42 52.183 -6.908 10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.563 -5.805 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 51.100 -5.433 12.189 1.00 0.00 H new ATOM 648 N GLY A 43 52.082 -4.106 10.098 1.00 0.00 N ATOM 649 CA GLY A 43 52.400 -3.037 9.102 1.00 0.00 C ATOM 650 C GLY A 43 51.553 -1.790 9.353 1.00 0.00 C ATOM 651 O GLY A 43 50.880 -1.671 10.359 1.00 0.00 O ATOM 0 H GLY A 43 52.876 -4.423 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.458 -2.781 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.218 -3.408 8.093 1.00 0.00 H new ATOM 655 N ASN A 44 51.589 -0.860 8.429 1.00 0.00 N ATOM 656 CA ASN A 44 50.794 0.398 8.582 1.00 0.00 C ATOM 657 C ASN A 44 49.300 0.079 8.635 1.00 0.00 C ATOM 658 O ASN A 44 48.906 -1.062 8.792 1.00 0.00 O ATOM 659 CB ASN A 44 51.112 1.230 7.332 1.00 0.00 C ATOM 660 CG ASN A 44 52.598 1.604 7.312 1.00 0.00 C ATOM 661 OD1 ASN A 44 53.362 1.179 8.159 1.00 0.00 O ATOM 662 ND2 ASN A 44 53.045 2.387 6.369 1.00 0.00 N ATOM 0 H ASN A 44 52.138 -0.919 7.571 1.00 0.00 H new ATOM 0 HA ASN A 44 51.043 0.927 9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 44 50.859 0.664 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.502 2.133 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 44 54.032 2.642 6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.407 2.745 5.658 1.00 0.00 H new ATOM 669 N GLU A 45 48.470 1.080 8.501 1.00 0.00 N ATOM 670 CA GLU A 45 46.996 0.851 8.539 1.00 0.00 C ATOM 671 C GLU A 45 46.372 1.206 7.187 1.00 0.00 C ATOM 672 O GLU A 45 45.283 1.746 7.122 1.00 0.00 O ATOM 673 CB GLU A 45 46.479 1.790 9.628 1.00 0.00 C ATOM 674 CG GLU A 45 45.324 1.120 10.377 1.00 0.00 C ATOM 675 CD GLU A 45 44.014 1.380 9.634 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.844 2.484 9.141 1.00 0.00 O ATOM 677 OE2 GLU A 45 43.202 0.472 9.568 1.00 0.00 O ATOM 0 H GLU A 45 48.752 2.051 8.366 1.00 0.00 H new ATOM 0 HA GLU A 45 46.744 -0.190 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 45 47.283 2.035 10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 45 46.143 2.728 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 45 45.502 0.048 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 45.261 1.509 11.393 1.00 0.00 H new ATOM 684 N ASN A 46 47.052 0.909 6.108 1.00 0.00 N ATOM 685 CA ASN A 46 46.500 1.230 4.758 1.00 0.00 C ATOM 686 C ASN A 46 46.394 -0.045 3.917 1.00 0.00 C ATOM 687 O ASN A 46 46.484 -0.009 2.704 1.00 0.00 O ATOM 688 CB ASN A 46 47.502 2.203 4.140 1.00 0.00 C ATOM 689 CG ASN A 46 46.943 2.753 2.825 1.00 0.00 C ATOM 690 OD1 ASN A 46 47.336 2.326 1.757 1.00 0.00 O ATOM 691 ND2 ASN A 46 46.035 3.690 2.858 1.00 0.00 N ATOM 0 H ASN A 46 47.967 0.458 6.105 1.00 0.00 H new ATOM 0 HA ASN A 46 45.500 1.660 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.703 3.021 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.451 1.698 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.656 4.063 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.705 4.049 3.754 1.00 0.00 H new ATOM 698 N ASN A 47 46.203 -1.170 4.558 1.00 0.00 N ATOM 699 CA ASN A 47 46.091 -2.456 3.809 1.00 0.00 C ATOM 700 C ASN A 47 44.629 -2.737 3.450 1.00 0.00 C ATOM 701 O ASN A 47 43.865 -3.221 4.263 1.00 0.00 O ATOM 702 CB ASN A 47 46.625 -3.518 4.769 1.00 0.00 C ATOM 703 CG ASN A 47 48.107 -3.260 5.045 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.930 -3.368 4.158 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.486 -2.920 6.247 1.00 0.00 N ATOM 0 H ASN A 47 46.120 -1.252 5.571 1.00 0.00 H new ATOM 0 HA ASN A 47 46.646 -2.438 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 47 46.062 -3.496 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.492 -4.511 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.472 -2.745 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.796 -2.829 6.993 1.00 0.00 H new ATOM 712 N PHE A 48 44.241 -2.438 2.237 1.00 0.00 N ATOM 713 CA PHE A 48 42.832 -2.687 1.811 1.00 0.00 C ATOM 714 C PHE A 48 42.699 -4.093 1.221 1.00 0.00 C ATOM 715 O PHE A 48 43.583 -4.570 0.533 1.00 0.00 O ATOM 716 CB PHE A 48 42.548 -1.631 0.742 1.00 0.00 C ATOM 717 CG PHE A 48 42.466 -0.266 1.381 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.494 -0.005 2.354 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.363 0.740 1.001 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.418 1.263 2.945 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.287 2.007 1.592 1.00 0.00 C ATOM 722 CZ PHE A 48 42.315 2.268 2.564 1.00 0.00 C ATOM 0 H PHE A 48 44.842 -2.031 1.521 1.00 0.00 H new ATOM 0 HA PHE A 48 42.132 -2.623 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.335 -1.643 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.613 -1.860 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.803 -0.781 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.114 0.538 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.667 1.465 3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.978 2.783 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.257 3.245 3.020 1.00 0.00 H new ATOM 732 N THR A 49 41.599 -4.757 1.481 1.00 0.00 N ATOM 733 CA THR A 49 41.404 -6.134 0.930 1.00 0.00 C ATOM 734 C THR A 49 40.843 -6.067 -0.499 1.00 0.00 C ATOM 735 O THR A 49 40.962 -7.008 -1.261 1.00 0.00 O ATOM 736 CB THR A 49 40.411 -6.820 1.879 1.00 0.00 C ATOM 737 OG1 THR A 49 40.159 -8.139 1.416 1.00 0.00 O ATOM 738 CG2 THR A 49 39.093 -6.040 1.930 1.00 0.00 C ATOM 0 H THR A 49 40.829 -4.405 2.050 1.00 0.00 H new ATOM 0 HA THR A 49 42.343 -6.685 0.870 1.00 0.00 H new ATOM 0 HB THR A 49 40.841 -6.850 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.527 -8.582 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.400 -6.540 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.283 -5.028 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.657 -5.997 0.932 1.00 0.00 H new ATOM 746 N SER A 50 40.240 -4.962 -0.867 1.00 0.00 N ATOM 747 CA SER A 50 39.677 -4.828 -2.243 1.00 0.00 C ATOM 748 C SER A 50 40.028 -3.452 -2.818 1.00 0.00 C ATOM 749 O SER A 50 40.595 -2.617 -2.138 1.00 0.00 O ATOM 750 CB SER A 50 38.166 -4.971 -2.069 1.00 0.00 C ATOM 751 OG SER A 50 37.604 -5.504 -3.260 1.00 0.00 O ATOM 0 H SER A 50 40.114 -4.145 -0.269 1.00 0.00 H new ATOM 0 HA SER A 50 40.076 -5.573 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.946 -5.625 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.721 -4.001 -1.845 1.00 0.00 H new ATOM 0 HG SER A 50 36.635 -5.598 -3.151 1.00 0.00 H new ATOM 757 N LYS A 51 39.697 -3.211 -4.062 1.00 0.00 N ATOM 758 CA LYS A 51 40.013 -1.888 -4.682 1.00 0.00 C ATOM 759 C LYS A 51 38.838 -0.923 -4.501 1.00 0.00 C ATOM 760 O LYS A 51 39.027 0.256 -4.266 1.00 0.00 O ATOM 761 CB LYS A 51 40.244 -2.185 -6.164 1.00 0.00 C ATOM 762 CG LYS A 51 40.874 -0.964 -6.838 1.00 0.00 C ATOM 763 CD LYS A 51 40.498 -0.945 -8.321 1.00 0.00 C ATOM 764 CE LYS A 51 40.346 0.504 -8.795 1.00 0.00 C ATOM 765 NZ LYS A 51 41.017 0.546 -10.124 1.00 0.00 N ATOM 0 H LYS A 51 39.222 -3.873 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 51 40.882 -1.416 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.896 -3.051 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 51 39.299 -2.433 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.529 -0.050 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.958 -0.994 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.265 -1.451 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.566 -1.489 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 51 39.296 0.786 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 40.811 1.199 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 40.955 1.508 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 42.017 0.280 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 40.549 -0.121 -10.771 1.00 0.00 H new ATOM 779 N GLN A 52 37.628 -1.413 -4.609 1.00 0.00 N ATOM 780 CA GLN A 52 36.434 -0.522 -4.441 1.00 0.00 C ATOM 781 C GLN A 52 36.453 0.128 -3.054 1.00 0.00 C ATOM 782 O GLN A 52 35.994 1.242 -2.875 1.00 0.00 O ATOM 783 CB GLN A 52 35.217 -1.440 -4.587 1.00 0.00 C ATOM 784 CG GLN A 52 34.780 -1.482 -6.053 1.00 0.00 C ATOM 785 CD GLN A 52 33.299 -1.856 -6.133 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.484 -1.313 -5.413 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.912 -2.767 -6.983 1.00 0.00 N ATOM 0 H GLN A 52 37.413 -2.391 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 52 36.419 0.285 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.462 -2.444 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.399 -1.079 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 52 34.947 -0.512 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 52 35.380 -2.208 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 52 33.595 -3.223 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.926 -3.023 -7.043 1.00 0.00 H new ATOM 796 N GLU A 53 36.990 -0.559 -2.076 1.00 0.00 N ATOM 797 CA GLU A 53 37.050 0.016 -0.699 1.00 0.00 C ATOM 798 C GLU A 53 38.257 0.947 -0.573 1.00 0.00 C ATOM 799 O GLU A 53 38.223 1.923 0.153 1.00 0.00 O ATOM 800 CB GLU A 53 37.199 -1.185 0.236 1.00 0.00 C ATOM 801 CG GLU A 53 36.947 -0.737 1.678 1.00 0.00 C ATOM 802 CD GLU A 53 36.737 -1.962 2.569 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.602 -2.386 2.701 1.00 0.00 O ATOM 804 OE2 GLU A 53 37.717 -2.452 3.107 1.00 0.00 O ATOM 0 H GLU A 53 37.389 -1.493 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 53 36.164 0.604 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.493 -1.967 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.198 -1.610 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.793 -0.152 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.071 -0.090 1.720 1.00 0.00 H new ATOM 811 N CYS A 54 39.324 0.656 -1.282 1.00 0.00 N ATOM 812 CA CYS A 54 40.536 1.532 -1.211 1.00 0.00 C ATOM 813 C CYS A 54 40.179 2.945 -1.676 1.00 0.00 C ATOM 814 O CYS A 54 40.465 3.918 -1.005 1.00 0.00 O ATOM 815 CB CYS A 54 41.561 0.894 -2.155 1.00 0.00 C ATOM 816 SG CYS A 54 43.113 1.831 -2.085 1.00 0.00 S ATOM 0 H CYS A 54 39.407 -0.148 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 54 40.928 1.613 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.737 -0.143 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.175 0.884 -3.174 1.00 0.00 H new ATOM 821 N LEU A 55 39.544 3.059 -2.814 1.00 0.00 N ATOM 822 CA LEU A 55 39.154 4.407 -3.323 1.00 0.00 C ATOM 823 C LEU A 55 38.052 4.991 -2.439 1.00 0.00 C ATOM 824 O LEU A 55 38.155 6.099 -1.955 1.00 0.00 O ATOM 825 CB LEU A 55 38.633 4.171 -4.742 1.00 0.00 C ATOM 826 CG LEU A 55 39.797 3.788 -5.657 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.273 2.963 -6.833 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.467 5.057 -6.186 1.00 0.00 C ATOM 0 H LEU A 55 39.279 2.277 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 55 39.987 5.110 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.884 3.379 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.144 5.071 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 55 40.522 3.199 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.103 2.690 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.794 2.059 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.548 3.551 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.297 4.785 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.741 5.645 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.841 5.647 -5.349 1.00 0.00 H new ATOM 840 N ARG A 56 36.999 4.246 -2.219 1.00 0.00 N ATOM 841 CA ARG A 56 35.877 4.749 -1.361 1.00 0.00 C ATOM 842 C ARG A 56 36.383 5.157 0.033 1.00 0.00 C ATOM 843 O ARG A 56 35.712 5.872 0.751 1.00 0.00 O ATOM 844 CB ARG A 56 34.901 3.574 -1.254 1.00 0.00 C ATOM 845 CG ARG A 56 33.518 4.087 -0.842 1.00 0.00 C ATOM 846 CD ARG A 56 32.603 2.899 -0.528 1.00 0.00 C ATOM 847 NE ARG A 56 31.305 3.510 -0.128 1.00 0.00 N ATOM 848 CZ ARG A 56 30.213 3.198 -0.770 1.00 0.00 C ATOM 849 NH1 ARG A 56 29.997 3.686 -1.962 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.339 2.401 -0.224 1.00 0.00 N ATOM 0 H ARG A 56 36.865 3.308 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 56 35.411 5.636 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.837 3.054 -2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.265 2.852 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.604 4.734 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.088 4.688 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.484 2.252 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.014 2.285 0.273 1.00 0.00 H new ATOM 0 HE ARG A 56 31.270 4.172 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.681 4.310 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.144 3.443 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.508 2.020 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 56 28.486 2.158 -0.727 1.00 0.00 H new ATOM 864 N ALA A 57 37.548 4.697 0.429 1.00 0.00 N ATOM 865 CA ALA A 57 38.076 5.049 1.781 1.00 0.00 C ATOM 866 C ALA A 57 39.024 6.260 1.731 1.00 0.00 C ATOM 867 O ALA A 57 38.858 7.206 2.480 1.00 0.00 O ATOM 868 CB ALA A 57 38.836 3.804 2.239 1.00 0.00 C ATOM 0 H ALA A 57 38.153 4.094 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 57 37.269 5.328 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.258 3.979 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.153 2.955 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.640 3.589 1.535 1.00 0.00 H new ATOM 874 N CYS A 58 40.030 6.231 0.884 1.00 0.00 N ATOM 875 CA CYS A 58 40.997 7.379 0.830 1.00 0.00 C ATOM 876 C CYS A 58 40.489 8.517 -0.071 1.00 0.00 C ATOM 877 O CYS A 58 40.762 9.674 0.192 1.00 0.00 O ATOM 878 CB CYS A 58 42.311 6.794 0.279 1.00 0.00 C ATOM 879 SG CYS A 58 43.542 6.652 1.617 1.00 0.00 S ATOM 0 H CYS A 58 40.222 5.469 0.233 1.00 0.00 H new ATOM 0 HA CYS A 58 41.129 7.819 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.126 5.814 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.698 7.432 -0.515 1.00 0.00 H new ATOM 884 N LYS A 59 39.762 8.220 -1.129 1.00 0.00 N ATOM 885 CA LYS A 59 39.263 9.323 -2.024 1.00 0.00 C ATOM 886 C LYS A 59 38.428 10.326 -1.219 1.00 0.00 C ATOM 887 O LYS A 59 38.760 11.494 -1.128 1.00 0.00 O ATOM 888 CB LYS A 59 38.390 8.650 -3.088 1.00 0.00 C ATOM 889 CG LYS A 59 39.233 7.675 -3.921 1.00 0.00 C ATOM 890 CD LYS A 59 39.556 8.301 -5.282 1.00 0.00 C ATOM 891 CE LYS A 59 38.364 8.114 -6.226 1.00 0.00 C ATOM 892 NZ LYS A 59 38.766 8.786 -7.492 1.00 0.00 N ATOM 0 H LYS A 59 39.495 7.276 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 59 40.091 9.871 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 37.568 8.116 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 59 37.946 9.405 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 59 40.156 7.434 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 59 38.692 6.739 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 39.777 9.362 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 59 40.446 7.836 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 59 38.152 7.057 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 37.459 8.560 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 37.999 8.700 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 38.954 9.792 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.626 8.336 -7.866 1.00 0.00 H new ATOM 906 N LYS A 60 37.349 9.874 -0.635 1.00 0.00 N ATOM 907 CA LYS A 60 36.482 10.787 0.167 1.00 0.00 C ATOM 908 C LYS A 60 35.832 10.015 1.317 1.00 0.00 C ATOM 909 O LYS A 60 34.745 10.337 1.756 1.00 0.00 O ATOM 910 CB LYS A 60 35.420 11.284 -0.815 1.00 0.00 C ATOM 911 CG LYS A 60 34.829 12.602 -0.308 1.00 0.00 C ATOM 912 CD LYS A 60 35.848 13.727 -0.492 1.00 0.00 C ATOM 913 CE LYS A 60 35.119 15.071 -0.553 1.00 0.00 C ATOM 914 NZ LYS A 60 36.144 16.045 -1.018 1.00 0.00 N ATOM 0 H LYS A 60 37.030 8.906 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 60 37.042 11.610 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 60 35.861 11.427 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 60 34.632 10.538 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 60 33.914 12.835 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 60 34.560 12.510 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 36.561 13.725 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 60 36.419 13.569 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 60 34.273 15.030 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 60 34.724 15.350 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 35.718 16.992 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 36.934 16.067 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 36.497 15.758 -1.953 1.00 0.00 H new ATOM 928 N GLY A 61 36.494 8.997 1.804 1.00 0.00 N ATOM 929 CA GLY A 61 35.926 8.191 2.926 1.00 0.00 C ATOM 930 C GLY A 61 36.059 8.971 4.236 1.00 0.00 C ATOM 931 O GLY A 61 36.339 10.156 4.172 1.00 0.00 O ATOM 932 OXT GLY A 61 35.876 8.368 5.282 1.00 0.00 O ATOM 0 H GLY A 61 37.407 8.688 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.878 7.965 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 61 36.449 7.238 3.004 1.00 0.00 H new TER 936 GLY A 61