USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 415 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 38 TYR OH : rot 82:sc= 0.0041 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.0248 X(o=-0.021,f=-0.18) USER MOD Set 2.1: A 10 THR OG1 : rot 150:sc= -0.524 USER MOD Set 2.2: A 44 ASN : amide:sc= -0.203 K(o=-0.73,f=-1.5!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.6!) USER MOD Single : A 22 ASN : amide:sc= -0.0524 K(o=-0.052,f=-0.63) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 28 SER OG : rot 80:sc= -4.56! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 81:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= -2.94 K(o=-2.9,f=-11!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0547 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= -0.118 K(o=-0.12,f=-0.84) USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0106) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 6 47.238 10.761 7.082 1.00 0.00 N ATOM 77 CA SER A 6 48.624 10.333 6.721 1.00 0.00 C ATOM 78 C SER A 6 48.759 8.812 6.820 1.00 0.00 C ATOM 79 O SER A 6 49.831 8.292 7.072 1.00 0.00 O ATOM 80 CB SER A 6 49.530 11.017 7.742 1.00 0.00 C ATOM 81 OG SER A 6 49.750 12.365 7.347 1.00 0.00 O ATOM 0 HA SER A 6 48.882 10.606 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.072 10.986 8.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.480 10.488 7.814 1.00 0.00 H new ATOM 0 HG SER A 6 50.330 12.807 8.002 1.00 0.00 H new ATOM 87 N TRP A 7 47.683 8.097 6.617 1.00 0.00 N ATOM 88 CA TRP A 7 47.743 6.607 6.694 1.00 0.00 C ATOM 89 C TRP A 7 47.540 5.997 5.299 1.00 0.00 C ATOM 90 O TRP A 7 47.990 4.903 5.021 1.00 0.00 O ATOM 91 CB TRP A 7 46.610 6.203 7.647 1.00 0.00 C ATOM 92 CG TRP A 7 45.287 6.656 7.104 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.594 7.734 7.540 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.488 6.061 6.039 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.424 7.838 6.811 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.313 6.831 5.873 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.669 4.939 5.207 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.350 6.500 4.917 1.00 0.00 C ATOM 99 CZ3 TRP A 7 43.702 4.604 4.245 1.00 0.00 C ATOM 100 CH2 TRP A 7 42.545 5.383 4.101 1.00 0.00 C ATOM 0 H TRP A 7 46.763 8.482 6.401 1.00 0.00 H new ATOM 0 HA TRP A 7 48.708 6.249 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.605 5.121 7.779 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.778 6.644 8.630 1.00 0.00 H new ATOM 0 HD1 TRP A 7 44.904 8.403 8.329 1.00 0.00 H new ATOM 0 HE1 TRP A 7 42.727 8.570 6.949 1.00 0.00 H new ATOM 0 HE3 TRP A 7 45.557 4.333 5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.461 7.103 4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.850 3.741 3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 7 41.805 5.120 3.360 1.00 0.00 H new ATOM 111 N CYS A 8 46.869 6.702 4.424 1.00 0.00 N ATOM 112 CA CYS A 8 46.641 6.174 3.045 1.00 0.00 C ATOM 113 C CYS A 8 47.832 6.519 2.139 1.00 0.00 C ATOM 114 O CYS A 8 48.059 5.877 1.131 1.00 0.00 O ATOM 115 CB CYS A 8 45.373 6.875 2.558 1.00 0.00 C ATOM 116 SG CYS A 8 44.540 5.829 1.339 1.00 0.00 S ATOM 0 H CYS A 8 46.468 7.622 4.606 1.00 0.00 H new ATOM 0 HA CYS A 8 46.538 5.089 3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.708 7.073 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.624 7.839 2.116 1.00 0.00 H new ATOM 121 N LEU A 9 48.589 7.529 2.495 1.00 0.00 N ATOM 122 CA LEU A 9 49.768 7.920 1.664 1.00 0.00 C ATOM 123 C LEU A 9 50.992 7.060 2.014 1.00 0.00 C ATOM 124 O LEU A 9 51.938 6.985 1.252 1.00 0.00 O ATOM 125 CB LEU A 9 50.033 9.385 2.019 1.00 0.00 C ATOM 126 CG LEU A 9 49.037 10.289 1.281 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.562 11.406 2.214 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.714 10.907 0.054 1.00 0.00 C ATOM 0 H LEU A 9 48.440 8.100 3.327 1.00 0.00 H new ATOM 0 HA LEU A 9 49.578 7.778 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.941 9.530 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.053 9.655 1.747 1.00 0.00 H new ATOM 0 HG LEU A 9 48.181 9.693 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.855 12.045 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.075 10.969 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.418 12.000 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.004 11.549 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.573 11.499 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 9 50.047 10.114 -0.616 1.00 0.00 H new ATOM 140 N THR A 10 50.990 6.419 3.162 1.00 0.00 N ATOM 141 CA THR A 10 52.164 5.574 3.560 1.00 0.00 C ATOM 142 C THR A 10 52.469 4.517 2.470 1.00 0.00 C ATOM 143 O THR A 10 51.555 4.051 1.821 1.00 0.00 O ATOM 144 CB THR A 10 51.748 4.899 4.874 1.00 0.00 C ATOM 145 OG1 THR A 10 52.830 4.124 5.368 1.00 0.00 O ATOM 146 CG2 THR A 10 50.536 3.991 4.643 1.00 0.00 C ATOM 0 H THR A 10 50.227 6.445 3.839 1.00 0.00 H new ATOM 0 HA THR A 10 53.071 6.166 3.680 1.00 0.00 H new ATOM 0 HB THR A 10 51.482 5.668 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.790 4.093 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.251 3.518 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.702 4.585 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.791 3.223 3.913 1.00 0.00 H new ATOM 154 N PRO A 11 53.734 4.161 2.289 1.00 0.00 N ATOM 155 CA PRO A 11 54.082 3.153 1.257 1.00 0.00 C ATOM 156 C PRO A 11 53.437 1.805 1.585 1.00 0.00 C ATOM 157 O PRO A 11 52.884 1.614 2.654 1.00 0.00 O ATOM 158 CB PRO A 11 55.609 3.070 1.356 1.00 0.00 C ATOM 159 CG PRO A 11 56.090 4.037 2.452 1.00 0.00 C ATOM 160 CD PRO A 11 54.868 4.721 3.078 1.00 0.00 C ATOM 0 HA PRO A 11 53.733 3.415 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.917 2.051 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.063 3.328 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.651 3.495 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.764 4.782 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.775 4.490 4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.924 5.806 2.992 1.00 0.00 H new ATOM 168 N ALA A 12 53.510 0.870 0.675 1.00 0.00 N ATOM 169 CA ALA A 12 52.909 -0.475 0.925 1.00 0.00 C ATOM 170 C ALA A 12 53.752 -1.235 1.955 1.00 0.00 C ATOM 171 O ALA A 12 54.837 -1.700 1.659 1.00 0.00 O ATOM 172 CB ALA A 12 52.930 -1.190 -0.433 1.00 0.00 C ATOM 0 H ALA A 12 53.961 0.979 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 12 51.896 -0.410 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.502 -2.187 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.344 -0.619 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.958 -1.272 -0.785 1.00 0.00 H new ATOM 178 N ASP A 13 53.260 -1.356 3.161 1.00 0.00 N ATOM 179 CA ASP A 13 54.029 -2.079 4.221 1.00 0.00 C ATOM 180 C ASP A 13 53.919 -3.594 4.017 1.00 0.00 C ATOM 181 O ASP A 13 52.849 -4.165 4.114 1.00 0.00 O ATOM 182 CB ASP A 13 53.374 -1.663 5.544 1.00 0.00 C ATOM 183 CG ASP A 13 54.455 -1.308 6.567 1.00 0.00 C ATOM 184 OD1 ASP A 13 55.439 -0.702 6.175 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.280 -1.647 7.726 1.00 0.00 O ATOM 0 H ASP A 13 52.358 -0.985 3.459 1.00 0.00 H new ATOM 0 HA ASP A 13 55.091 -1.834 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.718 -0.808 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.753 -2.474 5.924 1.00 0.00 H new ATOM 190 N ARG A 14 55.020 -4.244 3.738 1.00 0.00 N ATOM 191 CA ARG A 14 54.989 -5.725 3.529 1.00 0.00 C ATOM 192 C ARG A 14 54.538 -6.429 4.811 1.00 0.00 C ATOM 193 O ARG A 14 53.653 -7.264 4.790 1.00 0.00 O ATOM 194 CB ARG A 14 56.427 -6.119 3.182 1.00 0.00 C ATOM 195 CG ARG A 14 56.422 -7.450 2.426 1.00 0.00 C ATOM 196 CD ARG A 14 57.789 -8.122 2.562 1.00 0.00 C ATOM 197 NE ARG A 14 57.526 -9.572 2.343 1.00 0.00 N ATOM 198 CZ ARG A 14 58.195 -10.467 3.018 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.356 -10.877 2.584 1.00 0.00 N ATOM 200 NH2 ARG A 14 57.703 -10.952 4.124 1.00 0.00 N ATOM 0 H ARG A 14 55.940 -3.814 3.646 1.00 0.00 H new ATOM 0 HA ARG A 14 54.291 -6.011 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.891 -5.344 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.021 -6.207 4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.644 -8.102 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.191 -7.282 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 14 58.495 -7.733 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.221 -7.943 3.547 1.00 0.00 H new ATOM 0 HE ARG A 14 56.823 -9.866 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 14 59.740 -10.498 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.879 -11.576 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 14 56.795 -10.632 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.226 -11.651 4.651 1.00 0.00 H new ATOM 214 N GLY A 15 55.140 -6.094 5.924 1.00 0.00 N ATOM 215 CA GLY A 15 54.750 -6.737 7.214 1.00 0.00 C ATOM 216 C GLY A 15 55.961 -7.450 7.820 1.00 0.00 C ATOM 217 O GLY A 15 57.054 -6.917 7.848 1.00 0.00 O ATOM 0 H GLY A 15 55.886 -5.402 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 54.374 -5.985 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 15 53.942 -7.449 7.047 1.00 0.00 H new ATOM 221 N LEU A 16 55.769 -8.650 8.309 1.00 0.00 N ATOM 222 CA LEU A 16 56.902 -9.406 8.921 1.00 0.00 C ATOM 223 C LEU A 16 56.842 -10.882 8.513 1.00 0.00 C ATOM 224 O LEU A 16 57.844 -11.476 8.162 1.00 0.00 O ATOM 225 CB LEU A 16 56.705 -9.257 10.430 1.00 0.00 C ATOM 226 CG LEU A 16 57.140 -7.856 10.866 1.00 0.00 C ATOM 227 CD1 LEU A 16 56.610 -7.571 12.273 1.00 0.00 C ATOM 228 CD2 LEU A 16 58.667 -7.777 10.872 1.00 0.00 C ATOM 0 H LEU A 16 54.874 -9.139 8.310 1.00 0.00 H new ATOM 0 HA LEU A 16 57.872 -9.030 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 16 55.659 -9.422 10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 16 57.287 -10.011 10.960 1.00 0.00 H new ATOM 0 HG LEU A 16 56.739 -7.118 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.920 -6.573 12.583 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.522 -7.628 12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.011 -8.308 12.969 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.979 -6.780 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 16 59.067 -8.515 11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 59.046 -7.980 9.870 1.00 0.00 H new ATOM 240 N CYS A 17 55.676 -11.475 8.559 1.00 0.00 N ATOM 241 CA CYS A 17 55.545 -12.916 8.176 1.00 0.00 C ATOM 242 C CYS A 17 55.962 -13.115 6.717 1.00 0.00 C ATOM 243 O CYS A 17 56.136 -12.165 5.978 1.00 0.00 O ATOM 244 CB CYS A 17 54.062 -13.248 8.354 1.00 0.00 C ATOM 245 SG CYS A 17 53.684 -13.404 10.118 1.00 0.00 S ATOM 0 H CYS A 17 54.807 -11.024 8.845 1.00 0.00 H new ATOM 0 HA CYS A 17 56.182 -13.559 8.783 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.448 -12.466 7.908 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.822 -14.177 7.836 1.00 0.00 H new ATOM 250 N ARG A 18 56.120 -14.347 6.302 1.00 0.00 N ATOM 251 CA ARG A 18 56.522 -14.619 4.890 1.00 0.00 C ATOM 252 C ARG A 18 55.316 -15.122 4.092 1.00 0.00 C ATOM 253 O ARG A 18 54.977 -16.289 4.133 1.00 0.00 O ATOM 254 CB ARG A 18 57.595 -15.704 4.984 1.00 0.00 C ATOM 255 CG ARG A 18 58.974 -15.051 5.097 1.00 0.00 C ATOM 256 CD ARG A 18 59.969 -16.057 5.680 1.00 0.00 C ATOM 257 NE ARG A 18 59.903 -15.855 7.155 1.00 0.00 N ATOM 258 CZ ARG A 18 60.999 -15.677 7.841 1.00 0.00 C ATOM 259 NH1 ARG A 18 62.010 -16.485 7.674 1.00 0.00 N ATOM 260 NH2 ARG A 18 61.088 -14.691 8.691 1.00 0.00 N ATOM 0 H ARG A 18 55.988 -15.176 6.881 1.00 0.00 H new ATOM 0 HA ARG A 18 56.892 -13.727 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.410 -16.339 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.556 -16.346 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.311 -14.717 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.919 -14.168 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.702 -17.078 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 18 60.976 -15.880 5.302 1.00 0.00 H new ATOM 0 HE ARG A 18 59.000 -15.856 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.943 -17.255 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.867 -16.347 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.300 -14.057 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 18 61.946 -14.554 9.226 1.00 0.00 H new ATOM 274 N ALA A 19 54.667 -14.245 3.367 1.00 0.00 N ATOM 275 CA ALA A 19 53.479 -14.661 2.563 1.00 0.00 C ATOM 276 C ALA A 19 53.207 -13.640 1.454 1.00 0.00 C ATOM 277 O ALA A 19 53.092 -12.455 1.707 1.00 0.00 O ATOM 278 CB ALA A 19 52.317 -14.692 3.557 1.00 0.00 C ATOM 0 H ALA A 19 54.910 -13.257 3.298 1.00 0.00 H new ATOM 0 HA ALA A 19 53.627 -15.626 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.404 -14.990 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 19 52.536 -15.407 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.182 -13.701 3.990 1.00 0.00 H new ATOM 284 N ASN A 20 53.103 -14.091 0.229 1.00 0.00 N ATOM 285 CA ASN A 20 52.837 -13.151 -0.902 1.00 0.00 C ATOM 286 C ASN A 20 51.327 -12.986 -1.108 1.00 0.00 C ATOM 287 O ASN A 20 50.741 -13.595 -1.983 1.00 0.00 O ATOM 288 CB ASN A 20 53.477 -13.811 -2.124 1.00 0.00 C ATOM 289 CG ASN A 20 54.983 -13.538 -2.123 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.488 -12.843 -2.983 1.00 0.00 O ATOM 291 ND2 ASN A 20 55.729 -14.059 -1.187 1.00 0.00 N ATOM 0 H ASN A 20 53.191 -15.072 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 20 53.243 -12.156 -0.718 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.292 -14.885 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.027 -13.422 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 20 56.734 -13.883 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.307 -14.642 -0.464 1.00 0.00 H new ATOM 298 N GLU A 21 50.699 -12.165 -0.306 1.00 0.00 N ATOM 299 CA GLU A 21 49.226 -11.950 -0.444 1.00 0.00 C ATOM 300 C GLU A 21 48.942 -10.974 -1.591 1.00 0.00 C ATOM 301 O GLU A 21 49.783 -10.744 -2.440 1.00 0.00 O ATOM 302 CB GLU A 21 48.788 -11.352 0.895 1.00 0.00 C ATOM 303 CG GLU A 21 49.040 -12.365 2.014 1.00 0.00 C ATOM 304 CD GLU A 21 48.390 -11.867 3.306 1.00 0.00 C ATOM 305 OE1 GLU A 21 48.502 -10.685 3.584 1.00 0.00 O ATOM 306 OE2 GLU A 21 47.791 -12.676 3.994 1.00 0.00 O ATOM 0 H GLU A 21 51.144 -11.632 0.441 1.00 0.00 H new ATOM 0 HA GLU A 21 48.690 -12.871 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.339 -10.432 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.731 -11.089 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 21 48.630 -13.337 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.111 -12.501 2.162 1.00 0.00 H new ATOM 313 N ASN A 22 47.764 -10.399 -1.622 1.00 0.00 N ATOM 314 CA ASN A 22 47.423 -9.438 -2.713 1.00 0.00 C ATOM 315 C ASN A 22 46.596 -8.274 -2.155 1.00 0.00 C ATOM 316 O ASN A 22 45.417 -8.150 -2.431 1.00 0.00 O ATOM 317 CB ASN A 22 46.600 -10.254 -3.712 1.00 0.00 C ATOM 318 CG ASN A 22 47.540 -11.052 -4.618 1.00 0.00 C ATOM 319 OD1 ASN A 22 48.523 -10.530 -5.104 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.276 -12.306 -4.865 1.00 0.00 N ATOM 0 H ASN A 22 47.024 -10.555 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 22 48.309 -9.002 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 22 45.930 -10.930 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 22 45.976 -9.592 -4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 22 47.896 -12.849 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 46.450 -12.743 -4.456 1.00 0.00 H new ATOM 327 N ARG A 23 47.207 -7.422 -1.370 1.00 0.00 N ATOM 328 CA ARG A 23 46.463 -6.262 -0.791 1.00 0.00 C ATOM 329 C ARG A 23 46.542 -5.059 -1.737 1.00 0.00 C ATOM 330 O ARG A 23 47.519 -4.875 -2.438 1.00 0.00 O ATOM 331 CB ARG A 23 47.168 -5.957 0.532 1.00 0.00 C ATOM 332 CG ARG A 23 46.625 -6.882 1.623 1.00 0.00 C ATOM 333 CD ARG A 23 45.166 -6.526 1.917 1.00 0.00 C ATOM 334 NE ARG A 23 44.864 -7.183 3.220 1.00 0.00 N ATOM 335 CZ ARG A 23 43.853 -8.002 3.322 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.613 -8.864 2.372 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.082 -7.962 4.373 1.00 0.00 N ATOM 0 H ARG A 23 48.190 -7.480 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 23 45.405 -6.480 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.244 -6.096 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 23 47.008 -4.915 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.699 -7.921 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.224 -6.784 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.028 -5.447 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.505 -6.888 1.130 1.00 0.00 H new ATOM 0 HE ARG A 23 45.449 -6.992 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.216 -8.898 1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.823 -9.504 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.269 -7.290 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.292 -8.603 4.451 1.00 0.00 H new ATOM 351 N PHE A 24 45.517 -4.244 -1.762 1.00 0.00 N ATOM 352 CA PHE A 24 45.522 -3.052 -2.665 1.00 0.00 C ATOM 353 C PHE A 24 46.116 -1.836 -1.947 1.00 0.00 C ATOM 354 O PHE A 24 45.475 -1.222 -1.115 1.00 0.00 O ATOM 355 CB PHE A 24 44.049 -2.804 -3.005 1.00 0.00 C ATOM 356 CG PHE A 24 43.733 -3.384 -4.364 1.00 0.00 C ATOM 357 CD1 PHE A 24 44.185 -2.743 -5.523 1.00 0.00 C ATOM 358 CD2 PHE A 24 42.985 -4.564 -4.463 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.889 -3.281 -6.781 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.690 -5.102 -5.721 1.00 0.00 C ATOM 361 CZ PHE A 24 43.141 -4.461 -6.880 1.00 0.00 C ATOM 0 H PHE A 24 44.676 -4.353 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 24 46.127 -3.218 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.410 -3.259 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.840 -1.734 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.762 -1.833 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.636 -5.059 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 24 44.237 -2.786 -7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.114 -6.012 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.912 -4.876 -7.851 1.00 0.00 H new ATOM 371 N TYR A 25 47.332 -1.480 -2.274 1.00 0.00 N ATOM 372 CA TYR A 25 47.975 -0.297 -1.629 1.00 0.00 C ATOM 373 C TYR A 25 47.667 0.960 -2.459 1.00 0.00 C ATOM 374 O TYR A 25 47.783 0.954 -3.669 1.00 0.00 O ATOM 375 CB TYR A 25 49.485 -0.645 -1.613 1.00 0.00 C ATOM 376 CG TYR A 25 50.359 0.601 -1.603 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.034 1.687 -0.778 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.487 0.666 -2.430 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.835 2.833 -0.783 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.290 1.813 -2.432 1.00 0.00 C ATOM 381 CZ TYR A 25 51.964 2.897 -1.610 1.00 0.00 C ATOM 382 OH TYR A 25 52.752 4.029 -1.616 1.00 0.00 O ATOM 0 H TYR A 25 47.910 -1.961 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 25 47.615 -0.088 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.708 -1.251 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.727 -1.250 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.165 1.638 -0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.738 -0.169 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.583 3.670 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.161 1.861 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 25 53.494 3.908 -2.244 1.00 0.00 H new ATOM 392 N TYR A 26 47.287 2.034 -1.814 1.00 0.00 N ATOM 393 CA TYR A 26 46.985 3.290 -2.563 1.00 0.00 C ATOM 394 C TYR A 26 48.293 3.980 -2.957 1.00 0.00 C ATOM 395 O TYR A 26 48.983 4.541 -2.126 1.00 0.00 O ATOM 396 CB TYR A 26 46.184 4.160 -1.593 1.00 0.00 C ATOM 397 CG TYR A 26 45.764 5.431 -2.293 1.00 0.00 C ATOM 398 CD1 TYR A 26 46.627 6.532 -2.322 1.00 0.00 C ATOM 399 CD2 TYR A 26 44.513 5.506 -2.919 1.00 0.00 C ATOM 400 CE1 TYR A 26 46.242 7.708 -2.976 1.00 0.00 C ATOM 401 CE2 TYR A 26 44.127 6.682 -3.572 1.00 0.00 C ATOM 402 CZ TYR A 26 44.992 7.783 -3.601 1.00 0.00 C ATOM 403 OH TYR A 26 44.613 8.941 -4.247 1.00 0.00 O ATOM 0 H TYR A 26 47.173 2.095 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 26 46.428 3.103 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.306 3.618 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.786 4.396 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 26 47.591 6.474 -1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 26 43.847 4.656 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 26 46.909 8.557 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 26 43.162 6.741 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 26 43.718 8.825 -4.628 1.00 0.00 H new ATOM 413 N ASN A 27 48.638 3.936 -4.217 1.00 0.00 N ATOM 414 CA ASN A 27 49.906 4.580 -4.675 1.00 0.00 C ATOM 415 C ASN A 27 49.713 6.090 -4.829 1.00 0.00 C ATOM 416 O ASN A 27 48.888 6.541 -5.602 1.00 0.00 O ATOM 417 CB ASN A 27 50.207 3.938 -6.030 1.00 0.00 C ATOM 418 CG ASN A 27 51.723 3.862 -6.250 1.00 0.00 C ATOM 419 OD1 ASN A 27 52.494 4.406 -5.481 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.185 3.205 -7.277 1.00 0.00 N ATOM 0 H ASN A 27 48.095 3.481 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 27 50.720 4.438 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.775 2.938 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.744 4.519 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 27 53.191 3.147 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.540 2.749 -7.922 1.00 0.00 H new ATOM 427 N SER A 28 50.471 6.872 -4.102 1.00 0.00 N ATOM 428 CA SER A 28 50.339 8.355 -4.204 1.00 0.00 C ATOM 429 C SER A 28 51.130 8.898 -5.407 1.00 0.00 C ATOM 430 O SER A 28 51.179 10.093 -5.628 1.00 0.00 O ATOM 431 CB SER A 28 50.915 8.894 -2.896 1.00 0.00 C ATOM 432 OG SER A 28 49.906 8.872 -1.896 1.00 0.00 O ATOM 0 H SER A 28 51.176 6.545 -3.442 1.00 0.00 H new ATOM 0 HA SER A 28 49.303 8.659 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.766 8.290 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.281 9.911 -3.038 1.00 0.00 H new ATOM 0 HG SER A 28 49.821 7.964 -1.537 1.00 0.00 H new ATOM 438 N VAL A 29 51.738 8.036 -6.192 1.00 0.00 N ATOM 439 CA VAL A 29 52.506 8.512 -7.379 1.00 0.00 C ATOM 440 C VAL A 29 51.623 8.407 -8.623 1.00 0.00 C ATOM 441 O VAL A 29 51.377 9.385 -9.303 1.00 0.00 O ATOM 442 CB VAL A 29 53.713 7.574 -7.489 1.00 0.00 C ATOM 443 CG1 VAL A 29 54.593 8.006 -8.665 1.00 0.00 C ATOM 444 CG2 VAL A 29 54.535 7.635 -6.197 1.00 0.00 C ATOM 0 H VAL A 29 51.733 7.025 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 29 52.823 9.551 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 29 53.360 6.555 -7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 55.451 7.338 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 29 54.015 7.962 -9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.941 9.026 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 55.392 6.967 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.884 8.655 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.914 7.327 -5.356 1.00 0.00 H new ATOM 454 N ILE A 30 51.132 7.225 -8.910 1.00 0.00 N ATOM 455 CA ILE A 30 50.249 7.055 -10.100 1.00 0.00 C ATOM 456 C ILE A 30 48.809 7.445 -9.738 1.00 0.00 C ATOM 457 O ILE A 30 48.096 8.010 -10.548 1.00 0.00 O ATOM 458 CB ILE A 30 50.358 5.580 -10.511 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.902 4.660 -9.376 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.813 5.260 -10.857 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.777 3.229 -9.904 1.00 0.00 C ATOM 0 H ILE A 30 51.305 6.376 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 30 50.547 7.697 -10.929 1.00 0.00 H new ATOM 0 HB ILE A 30 49.715 5.414 -11.375 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.617 4.695 -8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.945 4.999 -8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.896 4.213 -11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 52.139 5.894 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 30 52.443 5.444 -9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.452 2.571 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 49.046 3.202 -10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.744 2.894 -10.279 1.00 0.00 H new ATOM 473 N GLY A 31 48.388 7.186 -8.521 1.00 0.00 N ATOM 474 CA GLY A 31 47.009 7.587 -8.106 1.00 0.00 C ATOM 475 C GLY A 31 46.117 6.370 -7.822 1.00 0.00 C ATOM 476 O GLY A 31 45.323 6.390 -6.900 1.00 0.00 O ATOM 0 H GLY A 31 48.939 6.716 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 31 47.066 8.211 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 31 46.556 8.193 -8.891 1.00 0.00 H new ATOM 480 N LYS A 32 46.210 5.327 -8.611 1.00 0.00 N ATOM 481 CA LYS A 32 45.328 4.137 -8.382 1.00 0.00 C ATOM 482 C LYS A 32 45.892 3.219 -7.287 1.00 0.00 C ATOM 483 O LYS A 32 47.001 3.397 -6.821 1.00 0.00 O ATOM 484 CB LYS A 32 45.271 3.408 -9.730 1.00 0.00 C ATOM 485 CG LYS A 32 46.671 2.911 -10.127 1.00 0.00 C ATOM 486 CD LYS A 32 46.632 1.399 -10.378 1.00 0.00 C ATOM 487 CE LYS A 32 46.154 1.132 -11.806 1.00 0.00 C ATOM 488 NZ LYS A 32 46.810 -0.146 -12.198 1.00 0.00 N ATOM 0 H LYS A 32 46.853 5.247 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 32 44.338 4.438 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.583 2.565 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.884 4.078 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 32 47.010 3.429 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 32 47.386 3.140 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.622 0.969 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.964 0.918 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.068 1.048 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 46.438 1.944 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.530 -0.396 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 47.843 -0.034 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 46.515 -0.901 -11.547 1.00 0.00 H new ATOM 502 N CYS A 33 45.124 2.236 -6.883 1.00 0.00 N ATOM 503 CA CYS A 33 45.590 1.290 -5.825 1.00 0.00 C ATOM 504 C CYS A 33 46.374 0.136 -6.460 1.00 0.00 C ATOM 505 O CYS A 33 45.807 -0.736 -7.091 1.00 0.00 O ATOM 506 CB CYS A 33 44.308 0.763 -5.168 1.00 0.00 C ATOM 507 SG CYS A 33 43.514 2.088 -4.220 1.00 0.00 S ATOM 0 H CYS A 33 44.189 2.049 -7.244 1.00 0.00 H new ATOM 0 HA CYS A 33 46.251 1.771 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.625 0.389 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.543 -0.075 -4.512 1.00 0.00 H new ATOM 512 N ARG A 34 47.673 0.129 -6.296 1.00 0.00 N ATOM 513 CA ARG A 34 48.504 -0.963 -6.886 1.00 0.00 C ATOM 514 C ARG A 34 48.487 -2.204 -5.962 1.00 0.00 C ATOM 515 O ARG A 34 48.962 -2.120 -4.847 1.00 0.00 O ATOM 516 CB ARG A 34 49.920 -0.380 -6.962 1.00 0.00 C ATOM 517 CG ARG A 34 50.225 0.073 -8.398 1.00 0.00 C ATOM 518 CD ARG A 34 51.307 -0.822 -9.015 1.00 0.00 C ATOM 519 NE ARG A 34 50.589 -1.672 -10.005 1.00 0.00 N ATOM 520 CZ ARG A 34 51.225 -2.147 -11.041 1.00 0.00 C ATOM 521 NH1 ARG A 34 52.211 -2.985 -10.875 1.00 0.00 N ATOM 522 NH2 ARG A 34 50.873 -1.782 -12.244 1.00 0.00 N ATOM 0 H ARG A 34 48.195 0.835 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 34 48.136 -1.283 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 34 50.012 0.464 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.647 -1.127 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 34 49.318 0.029 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.558 1.111 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 34 52.084 -0.227 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.796 -1.430 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 34 49.600 -1.883 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.486 -3.270 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.707 -3.356 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 34 50.102 -1.127 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 34 51.369 -2.152 -13.055 1.00 0.00 H new ATOM 536 N PRO A 35 47.948 -3.328 -6.429 1.00 0.00 N ATOM 537 CA PRO A 35 47.913 -4.543 -5.576 1.00 0.00 C ATOM 538 C PRO A 35 49.333 -4.996 -5.220 1.00 0.00 C ATOM 539 O PRO A 35 50.125 -5.319 -6.086 1.00 0.00 O ATOM 540 CB PRO A 35 47.220 -5.575 -6.475 1.00 0.00 C ATOM 541 CG PRO A 35 46.878 -4.912 -7.821 1.00 0.00 C ATOM 542 CD PRO A 35 47.356 -3.456 -7.791 1.00 0.00 C ATOM 0 HA PRO A 35 47.402 -4.389 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.871 -6.435 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.314 -5.945 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.357 -5.450 -8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.803 -4.953 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.090 -3.256 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.533 -2.757 -7.941 1.00 0.00 H new ATOM 550 N PHE A 36 49.653 -5.033 -3.950 1.00 0.00 N ATOM 551 CA PHE A 36 51.017 -5.478 -3.532 1.00 0.00 C ATOM 552 C PHE A 36 50.921 -6.804 -2.764 1.00 0.00 C ATOM 553 O PHE A 36 49.866 -7.405 -2.686 1.00 0.00 O ATOM 554 CB PHE A 36 51.576 -4.334 -2.659 1.00 0.00 C ATOM 555 CG PHE A 36 50.902 -4.295 -1.299 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.654 -3.680 -1.148 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.537 -4.873 -0.193 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.040 -3.643 0.111 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.923 -4.837 1.065 1.00 0.00 C ATOM 560 CZ PHE A 36 49.675 -4.222 1.217 1.00 0.00 C ATOM 0 H PHE A 36 49.029 -4.774 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 36 51.677 -5.667 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.651 -4.464 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.429 -3.381 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.164 -3.234 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.500 -5.347 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.077 -3.168 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.412 -5.284 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.202 -4.194 2.187 1.00 0.00 H new ATOM 570 N LYS A 37 52.011 -7.261 -2.202 1.00 0.00 N ATOM 571 CA LYS A 37 51.979 -8.547 -1.444 1.00 0.00 C ATOM 572 C LYS A 37 52.083 -8.287 0.060 1.00 0.00 C ATOM 573 O LYS A 37 53.137 -7.958 0.570 1.00 0.00 O ATOM 574 CB LYS A 37 53.193 -9.334 -1.942 1.00 0.00 C ATOM 575 CG LYS A 37 52.844 -10.049 -3.255 1.00 0.00 C ATOM 576 CD LYS A 37 53.487 -9.312 -4.441 1.00 0.00 C ATOM 577 CE LYS A 37 54.640 -10.147 -5.007 1.00 0.00 C ATOM 578 NZ LYS A 37 54.030 -10.950 -6.105 1.00 0.00 N ATOM 0 H LYS A 37 52.920 -6.800 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 37 51.048 -9.092 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.036 -8.661 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.500 -10.062 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.197 -11.080 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 37 51.762 -10.086 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 37 52.742 -9.131 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 37 53.855 -8.338 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 55.442 -9.511 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 37 55.075 -10.790 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 54.759 -11.549 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 53.275 -11.551 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 53.631 -10.311 -6.822 1.00 0.00 H new ATOM 592 N TYR A 38 50.995 -8.442 0.770 1.00 0.00 N ATOM 593 CA TYR A 38 51.016 -8.215 2.245 1.00 0.00 C ATOM 594 C TYR A 38 51.403 -9.511 2.963 1.00 0.00 C ATOM 595 O TYR A 38 51.306 -10.589 2.406 1.00 0.00 O ATOM 596 CB TYR A 38 49.588 -7.799 2.604 1.00 0.00 C ATOM 597 CG TYR A 38 49.526 -7.370 4.053 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.406 -6.391 4.536 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.585 -7.949 4.913 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.344 -5.995 5.878 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.524 -7.552 6.254 1.00 0.00 C ATOM 602 CZ TYR A 38 49.403 -6.576 6.737 1.00 0.00 C ATOM 603 OH TYR A 38 49.342 -6.184 8.058 1.00 0.00 O ATOM 0 H TYR A 38 50.090 -8.717 0.389 1.00 0.00 H new ATOM 0 HA TYR A 38 51.741 -7.457 2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.265 -6.981 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 38 48.904 -8.630 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.131 -5.942 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 38 47.906 -8.702 4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.022 -5.241 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.798 -7.999 6.917 1.00 0.00 H new ATOM 0 HH TYR A 38 48.816 -5.360 8.131 1.00 0.00 H new ATOM 613 N SER A 39 51.847 -9.413 4.192 1.00 0.00 N ATOM 614 CA SER A 39 52.249 -10.639 4.947 1.00 0.00 C ATOM 615 C SER A 39 51.115 -11.102 5.865 1.00 0.00 C ATOM 616 O SER A 39 50.857 -12.285 5.996 1.00 0.00 O ATOM 617 CB SER A 39 53.462 -10.212 5.771 1.00 0.00 C ATOM 618 OG SER A 39 54.514 -9.823 4.896 1.00 0.00 O ATOM 0 H SER A 39 51.948 -8.537 4.704 1.00 0.00 H new ATOM 0 HA SER A 39 52.475 -11.474 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.196 -9.384 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.789 -11.033 6.409 1.00 0.00 H new ATOM 0 HG SER A 39 54.366 -8.902 4.596 1.00 0.00 H new ATOM 624 N GLY A 40 50.439 -10.181 6.502 1.00 0.00 N ATOM 625 CA GLY A 40 49.321 -10.558 7.417 1.00 0.00 C ATOM 626 C GLY A 40 49.817 -10.562 8.865 1.00 0.00 C ATOM 627 O GLY A 40 49.314 -11.288 9.700 1.00 0.00 O ATOM 0 H GLY A 40 50.615 -9.179 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 40 48.496 -9.854 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 40 48.937 -11.543 7.151 1.00 0.00 H new ATOM 631 N CYS A 41 50.801 -9.751 9.166 1.00 0.00 N ATOM 632 CA CYS A 41 51.337 -9.694 10.559 1.00 0.00 C ATOM 633 C CYS A 41 51.778 -8.265 10.887 1.00 0.00 C ATOM 634 O CYS A 41 52.817 -7.814 10.443 1.00 0.00 O ATOM 635 CB CYS A 41 52.541 -10.638 10.564 1.00 0.00 C ATOM 636 SG CYS A 41 51.979 -12.347 10.357 1.00 0.00 S ATOM 0 H CYS A 41 51.257 -9.124 8.503 1.00 0.00 H new ATOM 0 HA CYS A 41 50.593 -9.983 11.302 1.00 0.00 H new ATOM 0 HB2 CYS A 41 53.228 -10.371 9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 41 53.091 -10.537 11.500 1.00 0.00 H new ATOM 641 N GLY A 42 50.993 -7.551 11.653 1.00 0.00 N ATOM 642 CA GLY A 42 51.360 -6.148 12.005 1.00 0.00 C ATOM 643 C GLY A 42 51.099 -5.243 10.801 1.00 0.00 C ATOM 644 O GLY A 42 49.967 -4.953 10.466 1.00 0.00 O ATOM 0 H GLY A 42 50.113 -7.880 12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.777 -5.811 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 52.410 -6.096 12.294 1.00 0.00 H new ATOM 648 N GLY A 43 52.142 -4.797 10.143 1.00 0.00 N ATOM 649 CA GLY A 43 51.963 -3.912 8.953 1.00 0.00 C ATOM 650 C GLY A 43 51.235 -2.631 9.367 1.00 0.00 C ATOM 651 O GLY A 43 50.966 -2.408 10.532 1.00 0.00 O ATOM 0 H GLY A 43 53.111 -5.009 10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.933 -3.667 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.394 -4.433 8.183 1.00 0.00 H new ATOM 655 N ASN A 44 50.914 -1.789 8.417 1.00 0.00 N ATOM 656 CA ASN A 44 50.201 -0.519 8.742 1.00 0.00 C ATOM 657 C ASN A 44 48.692 -0.767 8.835 1.00 0.00 C ATOM 658 O ASN A 44 48.234 -1.890 8.739 1.00 0.00 O ATOM 659 CB ASN A 44 50.518 0.421 7.579 1.00 0.00 C ATOM 660 CG ASN A 44 51.777 1.226 7.902 1.00 0.00 C ATOM 661 OD1 ASN A 44 52.029 1.548 9.047 1.00 0.00 O ATOM 662 ND2 ASN A 44 52.586 1.565 6.935 1.00 0.00 N ATOM 0 H ASN A 44 51.116 -1.928 7.427 1.00 0.00 H new ATOM 0 HA ASN A 44 50.514 -0.104 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 44 50.665 -0.152 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.679 1.094 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 44 53.430 2.100 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.374 1.295 5.975 1.00 0.00 H new ATOM 669 N GLU A 45 47.921 0.274 9.020 1.00 0.00 N ATOM 670 CA GLU A 45 46.441 0.111 9.119 1.00 0.00 C ATOM 671 C GLU A 45 45.772 0.531 7.807 1.00 0.00 C ATOM 672 O GLU A 45 44.654 1.013 7.796 1.00 0.00 O ATOM 673 CB GLU A 45 46.016 1.041 10.256 1.00 0.00 C ATOM 674 CG GLU A 45 44.742 0.504 10.914 1.00 0.00 C ATOM 675 CD GLU A 45 45.105 -0.271 12.184 1.00 0.00 C ATOM 676 OE1 GLU A 45 46.053 -1.037 12.135 1.00 0.00 O ATOM 677 OE2 GLU A 45 44.429 -0.084 13.182 1.00 0.00 O ATOM 0 H GLU A 45 48.255 1.234 9.107 1.00 0.00 H new ATOM 0 HA GLU A 45 46.152 -0.923 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.814 1.116 10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.842 2.046 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.072 1.328 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.208 -0.145 10.220 1.00 0.00 H new ATOM 684 N ASN A 46 46.451 0.352 6.701 1.00 0.00 N ATOM 685 CA ASN A 46 45.864 0.740 5.382 1.00 0.00 C ATOM 686 C ASN A 46 45.838 -0.466 4.434 1.00 0.00 C ATOM 687 O ASN A 46 46.003 -0.327 3.237 1.00 0.00 O ATOM 688 CB ASN A 46 46.785 1.843 4.841 1.00 0.00 C ATOM 689 CG ASN A 46 48.208 1.304 4.652 1.00 0.00 C ATOM 690 OD1 ASN A 46 48.642 0.423 5.367 1.00 0.00 O ATOM 691 ND2 ASN A 46 48.958 1.803 3.708 1.00 0.00 N ATOM 0 H ASN A 46 47.389 -0.047 6.655 1.00 0.00 H new ATOM 0 HA ASN A 46 44.834 1.085 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.400 2.214 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 46 46.797 2.687 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 46 49.906 1.453 3.572 1.00 0.00 H new ATOM 0 HD22 ASN A 46 48.596 2.543 3.106 1.00 0.00 H new ATOM 698 N ASN A 47 45.636 -1.643 4.965 1.00 0.00 N ATOM 699 CA ASN A 47 45.602 -2.865 4.105 1.00 0.00 C ATOM 700 C ASN A 47 44.190 -3.080 3.554 1.00 0.00 C ATOM 701 O ASN A 47 43.318 -3.586 4.236 1.00 0.00 O ATOM 702 CB ASN A 47 45.995 -4.019 5.033 1.00 0.00 C ATOM 703 CG ASN A 47 47.383 -3.761 5.625 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.575 -3.858 6.821 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.367 -3.431 4.833 1.00 0.00 N ATOM 0 H ASN A 47 45.492 -1.812 5.961 1.00 0.00 H new ATOM 0 HA ASN A 47 46.272 -2.786 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.262 -4.120 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.995 -4.958 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.295 -3.255 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.208 -3.349 3.829 1.00 0.00 H new ATOM 712 N PHE A 48 43.959 -2.696 2.323 1.00 0.00 N ATOM 713 CA PHE A 48 42.604 -2.871 1.719 1.00 0.00 C ATOM 714 C PHE A 48 42.449 -4.288 1.161 1.00 0.00 C ATOM 715 O PHE A 48 43.380 -4.855 0.619 1.00 0.00 O ATOM 716 CB PHE A 48 42.538 -1.839 0.594 1.00 0.00 C ATOM 717 CG PHE A 48 42.318 -0.466 1.183 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.101 -0.156 1.803 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.332 0.497 1.113 1.00 0.00 C ATOM 720 CE1 PHE A 48 40.898 1.116 2.351 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.129 1.770 1.661 1.00 0.00 C ATOM 722 CZ PHE A 48 41.912 2.079 2.280 1.00 0.00 C ATOM 0 H PHE A 48 44.653 -2.268 1.710 1.00 0.00 H new ATOM 0 HA PHE A 48 41.806 -2.732 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.462 -1.855 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.729 -2.086 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.319 -0.899 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.271 0.258 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 48 39.959 1.355 2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.911 2.513 1.606 1.00 0.00 H new ATOM 0 HZ PHE A 48 41.755 3.060 2.703 1.00 0.00 H new ATOM 732 N THR A 49 41.280 -4.860 1.293 1.00 0.00 N ATOM 733 CA THR A 49 41.052 -6.243 0.774 1.00 0.00 C ATOM 734 C THR A 49 40.727 -6.198 -0.721 1.00 0.00 C ATOM 735 O THR A 49 41.013 -7.126 -1.454 1.00 0.00 O ATOM 736 CB THR A 49 39.855 -6.771 1.567 1.00 0.00 C ATOM 737 OG1 THR A 49 38.817 -5.800 1.559 1.00 0.00 O ATOM 738 CG2 THR A 49 40.281 -7.054 3.009 1.00 0.00 C ATOM 0 H THR A 49 40.471 -4.428 1.739 1.00 0.00 H new ATOM 0 HA THR A 49 41.930 -6.878 0.890 1.00 0.00 H new ATOM 0 HB THR A 49 39.494 -7.692 1.110 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.049 -6.138 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 49 39.428 -7.430 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 49 41.076 -7.799 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 49 40.643 -6.134 3.469 1.00 0.00 H new ATOM 746 N SER A 50 40.132 -5.125 -1.175 1.00 0.00 N ATOM 747 CA SER A 50 39.784 -5.008 -2.623 1.00 0.00 C ATOM 748 C SER A 50 40.003 -3.567 -3.099 1.00 0.00 C ATOM 749 O SER A 50 40.656 -2.781 -2.439 1.00 0.00 O ATOM 750 CB SER A 50 38.304 -5.394 -2.711 1.00 0.00 C ATOM 751 OG SER A 50 38.157 -6.474 -3.625 1.00 0.00 O ATOM 0 H SER A 50 39.871 -4.322 -0.603 1.00 0.00 H new ATOM 0 HA SER A 50 40.403 -5.647 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.931 -5.681 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.712 -4.540 -3.040 1.00 0.00 H new ATOM 0 HG SER A 50 37.212 -6.726 -3.684 1.00 0.00 H new ATOM 757 N LYS A 51 39.460 -3.219 -4.238 1.00 0.00 N ATOM 758 CA LYS A 51 39.634 -1.829 -4.759 1.00 0.00 C ATOM 759 C LYS A 51 38.409 -0.978 -4.422 1.00 0.00 C ATOM 760 O LYS A 51 38.501 0.228 -4.291 1.00 0.00 O ATOM 761 CB LYS A 51 39.774 -1.981 -6.273 1.00 0.00 C ATOM 762 CG LYS A 51 40.192 -0.641 -6.881 1.00 0.00 C ATOM 763 CD LYS A 51 39.663 -0.539 -8.313 1.00 0.00 C ATOM 764 CE LYS A 51 40.738 -1.023 -9.289 1.00 0.00 C ATOM 765 NZ LYS A 51 40.101 -0.944 -10.633 1.00 0.00 N ATOM 0 H LYS A 51 38.904 -3.837 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 51 40.499 -1.334 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.515 -2.746 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.829 -2.310 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.802 0.180 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.278 -0.551 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 51 38.760 -1.140 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.389 0.492 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.629 -0.397 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.050 -2.042 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 40.777 -1.260 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 39.260 -1.555 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 39.821 0.039 -10.827 1.00 0.00 H new ATOM 779 N GLN A 52 37.263 -1.596 -4.280 1.00 0.00 N ATOM 780 CA GLN A 52 36.026 -0.823 -3.949 1.00 0.00 C ATOM 781 C GLN A 52 36.217 -0.073 -2.627 1.00 0.00 C ATOM 782 O GLN A 52 35.752 1.040 -2.464 1.00 0.00 O ATOM 783 CB GLN A 52 34.916 -1.870 -3.822 1.00 0.00 C ATOM 784 CG GLN A 52 33.554 -1.207 -4.040 1.00 0.00 C ATOM 785 CD GLN A 52 33.269 -1.107 -5.539 1.00 0.00 C ATOM 786 OE1 GLN A 52 33.514 -2.038 -6.281 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.755 -0.008 -6.021 1.00 0.00 N ATOM 0 H GLN A 52 37.130 -2.602 -4.379 1.00 0.00 H new ATOM 0 HA GLN A 52 35.788 -0.078 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.066 -2.664 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.952 -2.334 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 52 32.773 -1.787 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.545 -0.214 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.549 0.774 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 52 32.559 0.069 -7.019 1.00 0.00 H new ATOM 796 N GLU A 53 36.907 -0.674 -1.691 1.00 0.00 N ATOM 797 CA GLU A 53 37.142 0.000 -0.381 1.00 0.00 C ATOM 798 C GLU A 53 38.385 0.893 -0.465 1.00 0.00 C ATOM 799 O GLU A 53 38.492 1.882 0.234 1.00 0.00 O ATOM 800 CB GLU A 53 37.352 -1.141 0.621 1.00 0.00 C ATOM 801 CG GLU A 53 36.087 -1.326 1.465 1.00 0.00 C ATOM 802 CD GLU A 53 34.942 -1.822 0.579 1.00 0.00 C ATOM 803 OE1 GLU A 53 34.678 -1.184 -0.428 1.00 0.00 O ATOM 804 OE2 GLU A 53 34.347 -2.830 0.922 1.00 0.00 O ATOM 0 H GLU A 53 37.318 -1.604 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 53 36.313 0.644 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.586 -2.065 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.202 -0.920 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.275 -2.040 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.812 -0.383 1.937 1.00 0.00 H new ATOM 811 N CYS A 54 39.318 0.558 -1.323 1.00 0.00 N ATOM 812 CA CYS A 54 40.551 1.398 -1.463 1.00 0.00 C ATOM 813 C CYS A 54 40.162 2.809 -1.918 1.00 0.00 C ATOM 814 O CYS A 54 40.762 3.789 -1.515 1.00 0.00 O ATOM 815 CB CYS A 54 41.397 0.704 -2.538 1.00 0.00 C ATOM 816 SG CYS A 54 43.118 1.257 -2.417 1.00 0.00 S ATOM 0 H CYS A 54 39.280 -0.259 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 54 41.096 1.494 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.343 -0.378 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.001 0.931 -3.528 1.00 0.00 H new ATOM 821 N LEU A 55 39.158 2.912 -2.754 1.00 0.00 N ATOM 822 CA LEU A 55 38.718 4.252 -3.246 1.00 0.00 C ATOM 823 C LEU A 55 37.659 4.842 -2.307 1.00 0.00 C ATOM 824 O LEU A 55 37.639 6.031 -2.059 1.00 0.00 O ATOM 825 CB LEU A 55 38.128 3.994 -4.635 1.00 0.00 C ATOM 826 CG LEU A 55 39.200 3.383 -5.544 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.553 2.891 -6.840 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.256 4.441 -5.873 1.00 0.00 C ATOM 0 H LEU A 55 38.624 2.123 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 55 39.539 4.968 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.274 3.321 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.761 4.926 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 55 39.672 2.544 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.316 2.457 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 55 37.802 2.136 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.079 3.729 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.018 4.006 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.783 5.280 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.720 4.791 -4.951 1.00 0.00 H new ATOM 840 N ARG A 56 36.783 4.020 -1.780 1.00 0.00 N ATOM 841 CA ARG A 56 35.727 4.540 -0.849 1.00 0.00 C ATOM 842 C ARG A 56 36.370 5.112 0.423 1.00 0.00 C ATOM 843 O ARG A 56 35.777 5.920 1.112 1.00 0.00 O ATOM 844 CB ARG A 56 34.858 3.326 -0.500 1.00 0.00 C ATOM 845 CG ARG A 56 33.535 3.397 -1.266 1.00 0.00 C ATOM 846 CD ARG A 56 32.422 2.754 -0.429 1.00 0.00 C ATOM 847 NE ARG A 56 31.309 3.743 -0.438 1.00 0.00 N ATOM 848 CZ ARG A 56 30.242 3.518 -1.153 1.00 0.00 C ATOM 849 NH1 ARG A 56 29.486 2.487 -0.891 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.930 4.323 -2.131 1.00 0.00 N ATOM 0 H ARG A 56 36.752 3.015 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 56 35.146 5.341 -1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.385 2.406 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.667 3.301 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.285 4.435 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.629 2.882 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.107 1.802 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.760 2.551 0.587 1.00 0.00 H new ATOM 0 HE ARG A 56 31.381 4.597 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 56 29.730 1.857 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 56 28.651 2.311 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.521 5.129 -2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 56 29.095 4.147 -2.690 1.00 0.00 H new ATOM 864 N ALA A 57 37.569 4.691 0.742 1.00 0.00 N ATOM 865 CA ALA A 57 38.244 5.200 1.973 1.00 0.00 C ATOM 866 C ALA A 57 39.234 6.318 1.629 1.00 0.00 C ATOM 867 O ALA A 57 39.246 7.357 2.263 1.00 0.00 O ATOM 868 CB ALA A 57 38.977 3.989 2.551 1.00 0.00 C ATOM 0 H ALA A 57 38.109 4.016 0.201 1.00 0.00 H new ATOM 0 HA ALA A 57 37.533 5.626 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.500 4.281 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.257 3.204 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.697 3.617 1.822 1.00 0.00 H new ATOM 874 N CYS A 58 40.068 6.114 0.638 1.00 0.00 N ATOM 875 CA CYS A 58 41.060 7.169 0.265 1.00 0.00 C ATOM 876 C CYS A 58 40.420 8.209 -0.661 1.00 0.00 C ATOM 877 O CYS A 58 40.512 9.399 -0.425 1.00 0.00 O ATOM 878 CB CYS A 58 42.185 6.424 -0.460 1.00 0.00 C ATOM 879 SG CYS A 58 43.785 7.138 -0.001 1.00 0.00 S ATOM 0 H CYS A 58 40.104 5.265 0.073 1.00 0.00 H new ATOM 0 HA CYS A 58 41.425 7.710 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.160 5.366 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.042 6.491 -1.539 1.00 0.00 H new ATOM 884 N LYS A 59 39.778 7.767 -1.713 1.00 0.00 N ATOM 885 CA LYS A 59 39.136 8.726 -2.666 1.00 0.00 C ATOM 886 C LYS A 59 37.803 9.238 -2.101 1.00 0.00 C ATOM 887 O LYS A 59 37.382 10.341 -2.394 1.00 0.00 O ATOM 888 CB LYS A 59 38.905 7.917 -3.944 1.00 0.00 C ATOM 889 CG LYS A 59 39.123 8.813 -5.165 1.00 0.00 C ATOM 890 CD LYS A 59 38.484 8.161 -6.395 1.00 0.00 C ATOM 891 CE LYS A 59 38.977 8.866 -7.661 1.00 0.00 C ATOM 892 NZ LYS A 59 40.256 8.186 -8.007 1.00 0.00 N ATOM 0 H LYS A 59 39.670 6.782 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 59 39.756 9.605 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.587 7.068 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 59 37.893 7.513 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.685 9.796 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 59 40.189 8.965 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 59 38.740 7.102 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 59 37.398 8.224 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 38.252 8.778 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.131 9.931 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 40.861 8.838 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 40.745 7.901 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 40.056 7.343 -8.583 1.00 0.00 H new ATOM 906 N LYS A 60 37.137 8.446 -1.294 1.00 0.00 N ATOM 907 CA LYS A 60 35.824 8.874 -0.701 1.00 0.00 C ATOM 908 C LYS A 60 34.860 9.357 -1.792 1.00 0.00 C ATOM 909 O LYS A 60 34.166 10.342 -1.622 1.00 0.00 O ATOM 910 CB LYS A 60 36.163 10.021 0.256 1.00 0.00 C ATOM 911 CG LYS A 60 36.283 9.481 1.685 1.00 0.00 C ATOM 912 CD LYS A 60 35.755 10.524 2.674 1.00 0.00 C ATOM 913 CE LYS A 60 36.554 10.443 3.977 1.00 0.00 C ATOM 914 NZ LYS A 60 35.596 10.850 5.042 1.00 0.00 N ATOM 0 H LYS A 60 37.447 7.514 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 60 35.329 8.048 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.098 10.494 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 60 35.389 10.787 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 60 35.718 8.554 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 60 37.323 9.246 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 60 35.839 11.523 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 60 34.697 10.350 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 60 36.929 9.434 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 60 37.420 11.105 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 36.071 10.819 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 35.261 11.817 4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 34.786 10.198 5.048 1.00 0.00 H new