USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 2:sc= -25.7! USER MOD Set 1.2: A 40 CYS SG : rot 120:sc= -26.2! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 90:sc= 1.32 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 5 THR OG1 : rot -43:sc= 0.963 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.87) USER MOD Single : A 23 HIS : no HD1:sc= -2.35 X(o=-2.4,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0487) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.522 USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= 0.183 (180deg=0) USER MOD Single : A 33 SER OG : rot 30:sc= 1.21 USER MOD Single : A 37 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.72) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0964 K(o=-0.096,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.025 -0.201 -0.171 1.00 74.01 N ATOM 2 CA LEU A 1 1.935 -0.153 -1.310 1.00 22.32 C ATOM 3 C LEU A 1 2.628 -1.497 -1.510 1.00 20.44 C ATOM 4 O LEU A 1 2.947 -2.191 -0.544 1.00 71.04 O ATOM 5 CB LEU A 1 2.979 0.946 -1.107 1.00 41.34 C ATOM 6 CG LEU A 1 3.168 1.915 -2.275 1.00 43.30 C ATOM 7 CD1 LEU A 1 3.770 1.197 -3.473 1.00 31.22 C ATOM 8 CD2 LEU A 1 1.844 2.564 -2.650 1.00 33.12 C ATOM 0 H1 LEU A 1 0.565 0.725 -0.055 1.00 74.01 H new ATOM 0 H2 LEU A 1 0.301 -0.929 -0.336 1.00 74.01 H new ATOM 0 H3 LEU A 1 1.559 -0.433 0.691 1.00 74.01 H new ATOM 0 HA LEU A 1 1.350 0.070 -2.202 1.00 22.32 H new ATOM 0 HB2 LEU A 1 2.704 1.522 -0.224 1.00 41.34 H new ATOM 0 HB3 LEU A 1 3.938 0.474 -0.894 1.00 41.34 H new ATOM 0 HG LEU A 1 3.858 2.699 -1.963 1.00 43.30 H new ATOM 0 HD11 LEU A 1 3.897 1.903 -4.294 1.00 31.22 H new ATOM 0 HD12 LEU A 1 4.740 0.781 -3.199 1.00 31.22 H new ATOM 0 HD13 LEU A 1 3.105 0.392 -3.786 1.00 31.22 H new ATOM 0 HD21 LEU A 1 1.998 3.250 -3.483 1.00 33.12 H new ATOM 0 HD22 LEU A 1 1.131 1.793 -2.942 1.00 33.12 H new ATOM 0 HD23 LEU A 1 1.453 3.114 -1.794 1.00 33.12 H new ATOM 20 N GLN A 2 2.859 -1.857 -2.768 1.00 42.22 N ATOM 21 CA GLN A 2 3.516 -3.117 -3.094 1.00 30.32 C ATOM 22 C GLN A 2 4.657 -2.897 -4.081 1.00 62.33 C ATOM 23 O GLN A 2 4.610 -1.986 -4.908 1.00 51.10 O ATOM 24 CB GLN A 2 2.506 -4.108 -3.676 1.00 12.52 C ATOM 25 CG GLN A 2 1.745 -4.893 -2.619 1.00 42.53 C ATOM 26 CD GLN A 2 0.857 -5.966 -3.217 1.00 23.34 C ATOM 27 OE1 GLN A 2 -0.341 -6.022 -2.940 1.00 53.31 O ATOM 28 NE2 GLN A 2 1.442 -6.827 -4.041 1.00 61.24 N ATOM 0 H GLN A 2 2.601 -1.294 -3.578 1.00 42.22 H new ATOM 0 HA GLN A 2 3.930 -3.530 -2.174 1.00 30.32 H new ATOM 0 HB2 GLN A 2 1.793 -3.565 -4.297 1.00 12.52 H new ATOM 0 HB3 GLN A 2 3.030 -4.807 -4.329 1.00 12.52 H new ATOM 0 HG2 GLN A 2 2.455 -5.355 -1.933 1.00 42.53 H new ATOM 0 HG3 GLN A 2 1.135 -4.207 -2.032 1.00 42.53 H new ATOM 0 HE21 GLN A 2 2.438 -6.743 -4.243 1.00 61.24 H new ATOM 0 HE22 GLN A 2 0.895 -7.572 -4.472 1.00 61.24 H new ATOM 37 N CYS A 3 5.682 -3.738 -3.990 1.00 5.43 N ATOM 38 CA CYS A 3 6.837 -3.635 -4.874 1.00 20.30 C ATOM 39 C CYS A 3 7.206 -5.001 -5.447 1.00 1.32 C ATOM 40 O CYS A 3 7.052 -6.025 -4.784 1.00 33.50 O ATOM 41 CB CYS A 3 8.032 -3.046 -4.121 1.00 74.04 C ATOM 42 SG CYS A 3 7.603 -1.670 -3.007 1.00 41.35 S ATOM 0 H CYS A 3 5.736 -4.499 -3.313 1.00 5.43 H new ATOM 0 HA CYS A 3 6.574 -2.973 -5.699 1.00 20.30 H new ATOM 0 HB2 CYS A 3 8.507 -3.836 -3.539 1.00 74.04 H new ATOM 0 HB3 CYS A 3 8.768 -2.697 -4.845 1.00 74.04 H new ATOM 47 N ASN A 4 7.695 -5.005 -6.683 1.00 34.21 N ATOM 48 CA ASN A 4 8.086 -6.244 -7.346 1.00 34.13 C ATOM 49 C ASN A 4 9.407 -6.765 -6.789 1.00 30.32 C ATOM 50 O ASN A 4 10.149 -6.034 -6.131 1.00 74.33 O ATOM 51 CB ASN A 4 8.207 -6.023 -8.855 1.00 30.22 C ATOM 52 CG ASN A 4 6.860 -5.805 -9.517 1.00 44.23 C ATOM 53 OD1 ASN A 4 6.353 -6.679 -10.220 1.00 50.12 O ATOM 54 ND2 ASN A 4 6.275 -4.634 -9.295 1.00 41.35 N ATOM 0 H ASN A 4 7.830 -4.165 -7.245 1.00 34.21 H new ATOM 0 HA ASN A 4 7.313 -6.989 -7.156 1.00 34.13 H new ATOM 0 HB2 ASN A 4 8.845 -5.160 -9.043 1.00 30.22 H new ATOM 0 HB3 ASN A 4 8.696 -6.886 -9.308 1.00 30.22 H new ATOM 0 HD21 ASN A 4 5.368 -4.429 -9.714 1.00 41.35 H new ATOM 0 HD22 ASN A 4 6.733 -3.939 -8.705 1.00 41.35 H new ATOM 61 N THR A 5 9.696 -8.035 -7.057 1.00 44.11 N ATOM 62 CA THR A 5 10.927 -8.655 -6.583 1.00 42.21 C ATOM 63 C THR A 5 11.713 -9.268 -7.736 1.00 45.13 C ATOM 64 O THR A 5 11.145 -9.619 -8.771 1.00 44.55 O ATOM 65 CB THR A 5 10.639 -9.747 -5.535 1.00 41.45 C ATOM 66 OG1 THR A 5 10.081 -10.901 -6.172 1.00 73.31 O ATOM 67 CG2 THR A 5 9.681 -9.235 -4.470 1.00 73.25 C ATOM 0 H THR A 5 9.094 -8.654 -7.600 1.00 44.11 H new ATOM 0 HA THR A 5 11.521 -7.866 -6.121 1.00 42.21 H new ATOM 0 HB THR A 5 11.580 -10.017 -5.055 1.00 41.45 H new ATOM 0 HG1 THR A 5 9.408 -10.620 -6.826 1.00 73.31 H new ATOM 0 HG21 THR A 5 9.492 -10.023 -3.741 1.00 73.25 H new ATOM 0 HG22 THR A 5 10.122 -8.374 -3.968 1.00 73.25 H new ATOM 0 HG23 THR A 5 8.741 -8.940 -4.937 1.00 73.25 H new ATOM 75 N LEU A 6 13.023 -9.395 -7.552 1.00 32.55 N ATOM 76 CA LEU A 6 13.888 -9.968 -8.577 1.00 50.22 C ATOM 77 C LEU A 6 13.573 -11.445 -8.793 1.00 43.41 C ATOM 78 O LEU A 6 13.879 -12.008 -9.844 1.00 42.54 O ATOM 79 CB LEU A 6 15.357 -9.800 -8.185 1.00 50.30 C ATOM 80 CG LEU A 6 15.914 -10.837 -7.209 1.00 42.14 C ATOM 81 CD1 LEU A 6 16.523 -12.008 -7.965 1.00 51.22 C ATOM 82 CD2 LEU A 6 16.944 -10.202 -6.287 1.00 3.23 C ATOM 0 H LEU A 6 13.509 -9.109 -6.702 1.00 32.55 H new ATOM 0 HA LEU A 6 13.704 -9.436 -9.511 1.00 50.22 H new ATOM 0 HB2 LEU A 6 15.960 -9.824 -9.093 1.00 50.30 H new ATOM 0 HB3 LEU A 6 15.484 -8.811 -7.745 1.00 50.30 H new ATOM 0 HG LEU A 6 15.092 -11.212 -6.599 1.00 42.14 H new ATOM 0 HD11 LEU A 6 16.914 -12.736 -7.254 1.00 51.22 H new ATOM 0 HD12 LEU A 6 15.759 -12.479 -8.583 1.00 51.22 H new ATOM 0 HD13 LEU A 6 17.333 -11.649 -8.600 1.00 51.22 H new ATOM 0 HD21 LEU A 6 17.330 -10.955 -5.599 1.00 3.23 H new ATOM 0 HD22 LEU A 6 17.764 -9.799 -6.881 1.00 3.23 H new ATOM 0 HD23 LEU A 6 16.477 -9.397 -5.719 1.00 3.23 H new ATOM 94 N ASP A 7 12.959 -12.066 -7.792 1.00 51.43 N ATOM 95 CA ASP A 7 12.599 -13.476 -7.874 1.00 22.54 C ATOM 96 C ASP A 7 11.363 -13.673 -8.745 1.00 52.33 C ATOM 97 O ASP A 7 10.953 -14.801 -9.014 1.00 60.12 O ATOM 98 CB ASP A 7 12.347 -14.042 -6.475 1.00 64.00 C ATOM 99 CG ASP A 7 12.921 -15.435 -6.302 1.00 13.21 C ATOM 100 OD1 ASP A 7 12.282 -16.401 -6.768 1.00 72.00 O ATOM 101 OD2 ASP A 7 14.008 -15.559 -5.699 1.00 52.35 O ATOM 0 H ASP A 7 12.700 -11.615 -6.914 1.00 51.43 H new ATOM 0 HA ASP A 7 13.432 -14.011 -8.331 1.00 22.54 H new ATOM 0 HB2 ASP A 7 12.787 -13.376 -5.732 1.00 64.00 H new ATOM 0 HB3 ASP A 7 11.274 -14.068 -6.285 1.00 64.00 H new ATOM 106 N GLY A 8 10.772 -12.565 -9.183 1.00 74.13 N ATOM 107 CA GLY A 8 9.587 -12.637 -10.019 1.00 22.12 C ATOM 108 C GLY A 8 8.305 -12.518 -9.219 1.00 2.52 C ATOM 109 O GLY A 8 7.219 -12.409 -9.786 1.00 60.41 O ATOM 0 H GLY A 8 11.092 -11.619 -8.974 1.00 74.13 H new ATOM 0 HA2 GLY A 8 9.622 -11.841 -10.763 1.00 22.12 H new ATOM 0 HA3 GLY A 8 9.586 -13.582 -10.562 1.00 22.12 H new ATOM 113 N GLY A 9 8.431 -12.539 -7.895 1.00 40.52 N ATOM 114 CA GLY A 9 7.265 -12.433 -7.037 1.00 42.45 C ATOM 115 C GLY A 9 6.995 -11.007 -6.600 1.00 51.31 C ATOM 116 O GLY A 9 7.736 -10.089 -6.953 1.00 64.03 O ATOM 0 H GLY A 9 9.319 -12.627 -7.402 1.00 40.52 H new ATOM 0 HA2 GLY A 9 6.393 -12.819 -7.565 1.00 42.45 H new ATOM 0 HA3 GLY A 9 7.408 -13.059 -6.156 1.00 42.45 H new ATOM 120 N THR A 10 5.928 -10.818 -5.829 1.00 42.34 N ATOM 121 CA THR A 10 5.560 -9.493 -5.346 1.00 32.24 C ATOM 122 C THR A 10 5.730 -9.393 -3.834 1.00 50.01 C ATOM 123 O THR A 10 5.498 -10.360 -3.109 1.00 55.33 O ATOM 124 CB THR A 10 4.104 -9.146 -5.711 1.00 61.51 C ATOM 125 OG1 THR A 10 3.294 -10.327 -5.669 1.00 41.44 O ATOM 126 CG2 THR A 10 4.028 -8.522 -7.096 1.00 10.30 C ATOM 0 H THR A 10 5.304 -11.566 -5.526 1.00 42.34 H new ATOM 0 HA THR A 10 6.228 -8.782 -5.833 1.00 32.24 H new ATOM 0 HB THR A 10 3.732 -8.424 -4.984 1.00 61.51 H new ATOM 0 HG1 THR A 10 2.370 -10.098 -5.900 1.00 41.44 H new ATOM 0 HG21 THR A 10 2.990 -8.285 -7.332 1.00 10.30 H new ATOM 0 HG22 THR A 10 4.622 -7.608 -7.117 1.00 10.30 H new ATOM 0 HG23 THR A 10 4.417 -9.224 -7.833 1.00 10.30 H new ATOM 134 N GLU A 11 6.136 -8.217 -3.366 1.00 23.14 N ATOM 135 CA GLU A 11 6.337 -7.992 -1.939 1.00 23.21 C ATOM 136 C GLU A 11 5.540 -6.782 -1.461 1.00 51.13 C ATOM 137 O GLU A 11 5.347 -5.821 -2.205 1.00 2.41 O ATOM 138 CB GLU A 11 7.823 -7.789 -1.636 1.00 64.34 C ATOM 139 CG GLU A 11 8.412 -6.547 -2.283 1.00 0.42 C ATOM 140 CD GLU A 11 9.668 -6.065 -1.584 1.00 4.22 C ATOM 141 OE1 GLU A 11 9.562 -5.579 -0.438 1.00 73.14 O ATOM 142 OE2 GLU A 11 10.759 -6.174 -2.183 1.00 12.01 O ATOM 0 H GLU A 11 6.332 -7.406 -3.953 1.00 23.14 H new ATOM 0 HA GLU A 11 5.982 -8.874 -1.405 1.00 23.21 H new ATOM 0 HB2 GLU A 11 7.960 -7.726 -0.556 1.00 64.34 H new ATOM 0 HB3 GLU A 11 8.377 -8.663 -1.977 1.00 64.34 H new ATOM 0 HG2 GLU A 11 8.641 -6.760 -3.327 1.00 0.42 H new ATOM 0 HG3 GLU A 11 7.668 -5.750 -2.275 1.00 0.42 H new ATOM 149 N GLU A 12 5.079 -6.838 -0.216 1.00 31.33 N ATOM 150 CA GLU A 12 4.301 -5.748 0.360 1.00 3.45 C ATOM 151 C GLU A 12 5.215 -4.708 1.002 1.00 2.34 C ATOM 152 O GLU A 12 5.934 -5.002 1.958 1.00 41.40 O ATOM 153 CB GLU A 12 3.316 -6.287 1.399 1.00 20.43 C ATOM 154 CG GLU A 12 2.471 -7.444 0.893 1.00 20.42 C ATOM 155 CD GLU A 12 2.758 -8.740 1.626 1.00 33.52 C ATOM 156 OE1 GLU A 12 3.034 -8.685 2.843 1.00 44.51 O ATOM 157 OE2 GLU A 12 2.706 -9.810 0.984 1.00 53.01 O ATOM 0 H GLU A 12 5.231 -7.626 0.413 1.00 31.33 H new ATOM 0 HA GLU A 12 3.743 -5.270 -0.445 1.00 3.45 H new ATOM 0 HB2 GLU A 12 3.871 -6.611 2.280 1.00 20.43 H new ATOM 0 HB3 GLU A 12 2.657 -5.479 1.717 1.00 20.43 H new ATOM 0 HG2 GLU A 12 1.416 -7.194 1.004 1.00 20.42 H new ATOM 0 HG3 GLU A 12 2.655 -7.585 -0.172 1.00 20.42 H new ATOM 164 N CYS A 13 5.182 -3.491 0.470 1.00 45.31 N ATOM 165 CA CYS A 13 6.007 -2.406 0.988 1.00 24.23 C ATOM 166 C CYS A 13 5.278 -1.649 2.095 1.00 63.43 C ATOM 167 O CYS A 13 4.230 -1.048 1.862 1.00 54.41 O ATOM 168 CB CYS A 13 6.388 -1.443 -0.138 1.00 74.43 C ATOM 169 SG CYS A 13 7.395 -2.200 -1.455 1.00 13.45 S ATOM 0 H CYS A 13 4.592 -3.231 -0.320 1.00 45.31 H new ATOM 0 HA CYS A 13 6.914 -2.842 1.406 1.00 24.23 H new ATOM 0 HB2 CYS A 13 5.477 -1.038 -0.579 1.00 74.43 H new ATOM 0 HB3 CYS A 13 6.937 -0.603 0.287 1.00 74.43 H new ATOM 174 N ILE A 14 5.841 -1.684 3.298 1.00 63.32 N ATOM 175 CA ILE A 14 5.246 -1.001 4.439 1.00 10.14 C ATOM 176 C ILE A 14 5.324 0.513 4.276 1.00 50.14 C ATOM 177 O ILE A 14 6.364 1.072 3.927 1.00 60.05 O ATOM 178 CB ILE A 14 5.936 -1.400 5.757 1.00 45.30 C ATOM 179 CG1 ILE A 14 5.879 -2.917 5.949 1.00 4.43 C ATOM 180 CG2 ILE A 14 5.286 -0.686 6.933 1.00 71.52 C ATOM 181 CD1 ILE A 14 6.666 -3.404 7.146 1.00 41.02 C ATOM 0 H ILE A 14 6.708 -2.178 3.507 1.00 63.32 H new ATOM 0 HA ILE A 14 4.200 -1.306 4.479 1.00 10.14 H new ATOM 0 HB ILE A 14 6.982 -1.098 5.708 1.00 45.30 H new ATOM 0 HG12 ILE A 14 4.839 -3.222 6.060 1.00 4.43 H new ATOM 0 HG13 ILE A 14 6.260 -3.403 5.051 1.00 4.43 H new ATOM 0 HG21 ILE A 14 5.785 -0.978 7.857 1.00 71.52 H new ATOM 0 HG22 ILE A 14 5.375 0.392 6.798 1.00 71.52 H new ATOM 0 HG23 ILE A 14 4.232 -0.959 6.987 1.00 71.52 H new ATOM 0 HD11 ILE A 14 6.581 -4.488 7.221 1.00 41.02 H new ATOM 0 HD12 ILE A 14 7.714 -3.130 7.028 1.00 41.02 H new ATOM 0 HD13 ILE A 14 6.270 -2.946 8.052 1.00 41.02 H new ATOM 193 N PRO A 15 4.198 1.195 4.535 1.00 45.10 N ATOM 194 CA PRO A 15 4.114 2.654 4.425 1.00 1.55 C ATOM 195 C PRO A 15 4.912 3.365 5.514 1.00 34.51 C ATOM 196 O PRO A 15 4.348 3.849 6.494 1.00 14.41 O ATOM 197 CB PRO A 15 2.618 2.936 4.588 1.00 4.52 C ATOM 198 CG PRO A 15 2.098 1.781 5.372 1.00 42.31 C ATOM 199 CD PRO A 15 2.922 0.594 4.956 1.00 73.03 C ATOM 0 HA PRO A 15 4.531 3.017 3.485 1.00 1.55 H new ATOM 0 HB2 PRO A 15 2.447 3.878 5.110 1.00 4.52 H new ATOM 0 HB3 PRO A 15 2.122 3.013 3.620 1.00 4.52 H new ATOM 0 HG2 PRO A 15 2.189 1.963 6.443 1.00 42.31 H new ATOM 0 HG3 PRO A 15 1.041 1.614 5.166 1.00 42.31 H new ATOM 0 HD2 PRO A 15 3.060 -0.107 5.779 1.00 73.03 H new ATOM 0 HD3 PRO A 15 2.450 0.042 4.143 1.00 73.03 H new ATOM 207 N GLY A 16 6.228 3.422 5.335 1.00 51.51 N ATOM 208 CA GLY A 16 7.081 4.076 6.310 1.00 22.22 C ATOM 209 C GLY A 16 8.543 3.717 6.134 1.00 23.31 C ATOM 210 O GLY A 16 9.426 4.538 6.387 1.00 35.42 O ATOM 0 H GLY A 16 6.719 3.027 4.533 1.00 51.51 H new ATOM 0 HA2 GLY A 16 6.963 5.156 6.225 1.00 22.22 H new ATOM 0 HA3 GLY A 16 6.760 3.798 7.314 1.00 22.22 H new ATOM 214 N ILE A 17 8.801 2.487 5.701 1.00 51.30 N ATOM 215 CA ILE A 17 10.166 2.022 5.492 1.00 24.13 C ATOM 216 C ILE A 17 10.554 2.097 4.019 1.00 12.34 C ATOM 217 O ILE A 17 11.703 2.385 3.683 1.00 53.21 O ATOM 218 CB ILE A 17 10.350 0.575 5.986 1.00 35.33 C ATOM 219 CG1 ILE A 17 9.834 0.433 7.420 1.00 71.12 C ATOM 220 CG2 ILE A 17 11.813 0.167 5.901 1.00 12.22 C ATOM 221 CD1 ILE A 17 9.947 -0.973 7.966 1.00 30.14 C ATOM 0 H ILE A 17 8.082 1.795 5.488 1.00 51.30 H new ATOM 0 HA ILE A 17 10.815 2.680 6.070 1.00 24.13 H new ATOM 0 HB ILE A 17 9.771 -0.088 5.344 1.00 35.33 H new ATOM 0 HG12 ILE A 17 10.391 1.111 8.067 1.00 71.12 H new ATOM 0 HG13 ILE A 17 8.790 0.745 7.455 1.00 71.12 H new ATOM 0 HG21 ILE A 17 11.926 -0.858 6.254 1.00 12.22 H new ATOM 0 HG22 ILE A 17 12.150 0.234 4.867 1.00 12.22 H new ATOM 0 HG23 ILE A 17 12.413 0.832 6.522 1.00 12.22 H new ATOM 0 HD11 ILE A 17 9.563 -0.999 8.986 1.00 30.14 H new ATOM 0 HD12 ILE A 17 9.367 -1.653 7.342 1.00 30.14 H new ATOM 0 HD13 ILE A 17 10.993 -1.281 7.964 1.00 30.14 H new ATOM 233 N TYR A 18 9.588 1.839 3.145 1.00 33.54 N ATOM 234 CA TYR A 18 9.827 1.876 1.708 1.00 44.44 C ATOM 235 C TYR A 18 8.899 2.877 1.027 1.00 51.33 C ATOM 236 O TYR A 18 7.681 2.703 1.016 1.00 1.20 O ATOM 237 CB TYR A 18 9.631 0.487 1.100 1.00 60.51 C ATOM 238 CG TYR A 18 10.253 -0.624 1.916 1.00 71.44 C ATOM 239 CD1 TYR A 18 11.595 -0.584 2.271 1.00 22.24 C ATOM 240 CD2 TYR A 18 9.497 -1.714 2.331 1.00 3.03 C ATOM 241 CE1 TYR A 18 12.167 -1.597 3.016 1.00 65.41 C ATOM 242 CE2 TYR A 18 10.061 -2.731 3.077 1.00 32.13 C ATOM 243 CZ TYR A 18 11.396 -2.668 3.417 1.00 63.54 C ATOM 244 OH TYR A 18 11.962 -3.679 4.159 1.00 23.15 O ATOM 0 H TYR A 18 8.631 1.602 3.407 1.00 33.54 H new ATOM 0 HA TYR A 18 10.857 2.194 1.546 1.00 44.44 H new ATOM 0 HB2 TYR A 18 8.564 0.294 0.993 1.00 60.51 H new ATOM 0 HB3 TYR A 18 10.060 0.474 0.098 1.00 60.51 H new ATOM 0 HD1 TYR A 18 12.202 0.253 1.959 1.00 22.24 H new ATOM 0 HD2 TYR A 18 8.451 -1.767 2.066 1.00 3.03 H new ATOM 0 HE1 TYR A 18 13.212 -1.551 3.283 1.00 65.41 H new ATOM 0 HE2 TYR A 18 9.460 -3.571 3.392 1.00 32.13 H new ATOM 0 HH TYR A 18 11.283 -4.357 4.360 1.00 23.15 H new ATOM 254 N ASN A 19 9.485 3.926 0.458 1.00 11.24 N ATOM 255 CA ASN A 19 8.711 4.956 -0.226 1.00 4.24 C ATOM 256 C ASN A 19 9.118 5.058 -1.693 1.00 31.54 C ATOM 257 O ASN A 19 8.450 5.717 -2.489 1.00 73.00 O ATOM 258 CB ASN A 19 8.903 6.309 0.463 1.00 23.00 C ATOM 259 CG ASN A 19 10.316 6.499 0.981 1.00 70.10 C ATOM 260 OD1 ASN A 19 10.704 5.908 1.989 1.00 63.44 O ATOM 261 ND2 ASN A 19 11.092 7.327 0.292 1.00 1.41 N ATOM 0 H ASN A 19 10.493 4.085 0.457 1.00 11.24 H new ATOM 0 HA ASN A 19 7.658 4.677 -0.178 1.00 4.24 H new ATOM 0 HB2 ASN A 19 8.666 7.108 -0.239 1.00 23.00 H new ATOM 0 HB3 ASN A 19 8.200 6.394 1.292 1.00 23.00 H new ATOM 0 HD21 ASN A 19 12.052 7.495 0.592 1.00 1.41 H new ATOM 0 HD22 ASN A 19 10.728 7.795 -0.538 1.00 1.41 H new ATOM 268 N VAL A 20 10.218 4.399 -2.043 1.00 60.11 N ATOM 269 CA VAL A 20 10.713 4.413 -3.414 1.00 62.24 C ATOM 270 C VAL A 20 10.677 3.017 -4.026 1.00 30.20 C ATOM 271 O VAL A 20 10.370 2.037 -3.346 1.00 71.04 O ATOM 272 CB VAL A 20 12.153 4.955 -3.486 1.00 10.43 C ATOM 273 CG1 VAL A 20 12.185 6.434 -3.128 1.00 61.51 C ATOM 274 CG2 VAL A 20 13.069 4.157 -2.570 1.00 73.02 C ATOM 0 H VAL A 20 10.783 3.849 -1.396 1.00 60.11 H new ATOM 0 HA VAL A 20 10.055 5.072 -3.980 1.00 62.24 H new ATOM 0 HB VAL A 20 12.514 4.845 -4.509 1.00 10.43 H new ATOM 0 HG11 VAL A 20 13.210 6.800 -3.184 1.00 61.51 H new ATOM 0 HG12 VAL A 20 11.562 6.991 -3.828 1.00 61.51 H new ATOM 0 HG13 VAL A 20 11.806 6.572 -2.115 1.00 61.51 H new ATOM 0 HG21 VAL A 20 14.082 4.554 -2.633 1.00 73.02 H new ATOM 0 HG22 VAL A 20 12.713 4.234 -1.543 1.00 73.02 H new ATOM 0 HG23 VAL A 20 13.069 3.111 -2.877 1.00 73.02 H new ATOM 284 N CYS A 21 10.993 2.933 -5.314 1.00 21.21 N ATOM 285 CA CYS A 21 10.997 1.657 -6.019 1.00 63.11 C ATOM 286 C CYS A 21 11.826 1.745 -7.297 1.00 63.53 C ATOM 287 O CYS A 21 11.773 2.742 -8.017 1.00 63.55 O ATOM 288 CB CYS A 21 9.567 1.231 -6.354 1.00 74.13 C ATOM 289 SG CYS A 21 8.533 2.567 -7.036 1.00 45.35 S ATOM 0 H CYS A 21 11.250 3.734 -5.891 1.00 21.21 H new ATOM 0 HA CYS A 21 11.447 0.910 -5.365 1.00 63.11 H new ATOM 0 HB2 CYS A 21 9.602 0.411 -7.071 1.00 74.13 H new ATOM 0 HB3 CYS A 21 9.094 0.845 -5.451 1.00 74.13 H new ATOM 294 N VAL A 22 12.592 0.693 -7.573 1.00 11.32 N ATOM 295 CA VAL A 22 13.431 0.650 -8.764 1.00 42.12 C ATOM 296 C VAL A 22 13.236 -0.656 -9.527 1.00 3.44 C ATOM 297 O VAL A 22 13.127 -1.726 -8.928 1.00 60.41 O ATOM 298 CB VAL A 22 14.921 0.806 -8.407 1.00 24.41 C ATOM 299 CG1 VAL A 22 15.798 0.235 -9.512 1.00 12.44 C ATOM 300 CG2 VAL A 22 15.257 2.267 -8.149 1.00 63.31 C ATOM 0 H VAL A 22 12.648 -0.140 -6.987 1.00 11.32 H new ATOM 0 HA VAL A 22 13.127 1.485 -9.395 1.00 42.12 H new ATOM 0 HB VAL A 22 15.118 0.245 -7.493 1.00 24.41 H new ATOM 0 HG11 VAL A 22 16.847 0.354 -9.242 1.00 12.44 H new ATOM 0 HG12 VAL A 22 15.575 -0.824 -9.643 1.00 12.44 H new ATOM 0 HG13 VAL A 22 15.601 0.765 -10.444 1.00 12.44 H new ATOM 0 HG21 VAL A 22 16.314 2.358 -7.898 1.00 63.31 H new ATOM 0 HG22 VAL A 22 15.044 2.853 -9.043 1.00 63.31 H new ATOM 0 HG23 VAL A 22 14.654 2.638 -7.320 1.00 63.31 H new ATOM 310 N HIS A 23 13.194 -0.560 -10.852 1.00 30.12 N ATOM 311 CA HIS A 23 13.013 -1.735 -11.698 1.00 3.34 C ATOM 312 C HIS A 23 14.133 -1.839 -12.729 1.00 12.02 C ATOM 313 O HIS A 23 14.238 -1.009 -13.632 1.00 14.30 O ATOM 314 CB HIS A 23 11.658 -1.678 -12.403 1.00 11.31 C ATOM 315 CG HIS A 23 11.418 -2.827 -13.333 1.00 40.21 C ATOM 316 ND1 HIS A 23 10.421 -2.828 -14.286 1.00 64.30 N ATOM 317 CD2 HIS A 23 12.054 -4.016 -13.454 1.00 13.32 C ATOM 318 CE1 HIS A 23 10.453 -3.969 -14.951 1.00 62.05 C ATOM 319 NE2 HIS A 23 11.435 -4.707 -14.466 1.00 61.22 N ATOM 0 H HIS A 23 13.283 0.318 -11.363 1.00 30.12 H new ATOM 0 HA HIS A 23 13.045 -2.619 -11.062 1.00 3.34 H new ATOM 0 HB2 HIS A 23 10.868 -1.658 -11.653 1.00 11.31 H new ATOM 0 HB3 HIS A 23 11.589 -0.746 -12.964 1.00 11.31 H new ATOM 0 HD2 HIS A 23 12.892 -4.357 -12.864 1.00 13.32 H new ATOM 0 HE1 HIS A 23 9.789 -4.251 -15.755 1.00 62.05 H new ATOM 0 HE2 HIS A 23 11.692 -5.639 -14.791 1.00 61.22 H new ATOM 327 N TYR A 24 14.967 -2.863 -12.587 1.00 41.15 N ATOM 328 CA TYR A 24 16.081 -3.074 -13.505 1.00 13.33 C ATOM 329 C TYR A 24 15.765 -4.188 -14.497 1.00 63.44 C ATOM 330 O TYR A 24 15.599 -5.347 -14.116 1.00 73.34 O ATOM 331 CB TYR A 24 17.353 -3.414 -12.726 1.00 53.32 C ATOM 332 CG TYR A 24 18.600 -3.428 -13.581 1.00 30.23 C ATOM 333 CD1 TYR A 24 18.828 -4.450 -14.495 1.00 14.32 C ATOM 334 CD2 TYR A 24 19.551 -2.421 -13.474 1.00 22.34 C ATOM 335 CE1 TYR A 24 19.966 -4.468 -15.277 1.00 50.42 C ATOM 336 CE2 TYR A 24 20.692 -2.430 -14.253 1.00 32.21 C ATOM 337 CZ TYR A 24 20.895 -3.455 -15.153 1.00 32.50 C ATOM 338 OH TYR A 24 22.030 -3.469 -15.930 1.00 43.21 O ATOM 0 H TYR A 24 14.893 -3.560 -11.846 1.00 41.15 H new ATOM 0 HA TYR A 24 16.240 -2.151 -14.062 1.00 13.33 H new ATOM 0 HB2 TYR A 24 17.482 -2.689 -11.922 1.00 53.32 H new ATOM 0 HB3 TYR A 24 17.232 -4.391 -12.258 1.00 53.32 H new ATOM 0 HD1 TYR A 24 18.103 -5.244 -14.595 1.00 14.32 H new ATOM 0 HD2 TYR A 24 19.396 -1.617 -12.770 1.00 22.34 H new ATOM 0 HE1 TYR A 24 20.128 -5.270 -15.982 1.00 50.42 H new ATOM 0 HE2 TYR A 24 21.421 -1.639 -14.158 1.00 32.21 H new ATOM 0 HH TYR A 24 22.579 -2.685 -15.721 1.00 43.21 H new ATOM 348 N LYS A 25 15.685 -3.829 -15.774 1.00 63.42 N ATOM 349 CA LYS A 25 15.392 -4.797 -16.825 1.00 21.13 C ATOM 350 C LYS A 25 16.436 -4.728 -17.935 1.00 22.34 C ATOM 351 O LYS A 25 16.558 -3.715 -18.623 1.00 70.33 O ATOM 352 CB LYS A 25 13.999 -4.545 -17.405 1.00 15.25 C ATOM 353 CG LYS A 25 13.398 -5.758 -18.094 1.00 13.33 C ATOM 354 CD LYS A 25 13.784 -5.813 -19.562 1.00 53.33 C ATOM 355 CE LYS A 25 13.835 -7.245 -20.072 1.00 5.13 C ATOM 356 NZ LYS A 25 14.768 -7.390 -21.224 1.00 33.52 N ATOM 0 H LYS A 25 15.819 -2.874 -16.106 1.00 63.42 H new ATOM 0 HA LYS A 25 15.421 -5.794 -16.384 1.00 21.13 H new ATOM 0 HB2 LYS A 25 13.333 -4.226 -16.603 1.00 15.25 H new ATOM 0 HB3 LYS A 25 14.055 -3.723 -18.119 1.00 15.25 H new ATOM 0 HG2 LYS A 25 13.735 -6.666 -17.594 1.00 13.33 H new ATOM 0 HG3 LYS A 25 12.312 -5.728 -18.003 1.00 13.33 H new ATOM 0 HD2 LYS A 25 13.065 -5.242 -20.150 1.00 53.33 H new ATOM 0 HD3 LYS A 25 14.757 -5.341 -19.701 1.00 53.33 H new ATOM 0 HE2 LYS A 25 14.149 -7.907 -19.265 1.00 5.13 H new ATOM 0 HE3 LYS A 25 12.835 -7.560 -20.372 1.00 5.13 H new ATOM 0 HZ1 LYS A 25 14.375 -8.070 -21.905 1.00 33.52 H new ATOM 0 HZ2 LYS A 25 14.892 -6.468 -21.688 1.00 33.52 H new ATOM 0 HZ3 LYS A 25 15.689 -7.733 -20.884 1.00 33.52 H new ATOM 370 N SER A 26 17.186 -5.813 -18.103 1.00 42.34 N ATOM 371 CA SER A 26 18.221 -5.874 -19.129 1.00 24.04 C ATOM 372 C SER A 26 18.142 -7.186 -19.903 1.00 24.45 C ATOM 373 O SER A 26 17.554 -8.160 -19.434 1.00 61.42 O ATOM 374 CB SER A 26 19.606 -5.725 -18.495 1.00 31.12 C ATOM 375 OG SER A 26 19.875 -4.372 -18.170 1.00 21.44 O ATOM 0 H SER A 26 17.096 -6.661 -17.543 1.00 42.34 H new ATOM 0 HA SER A 26 18.057 -5.051 -19.825 1.00 24.04 H new ATOM 0 HB2 SER A 26 19.665 -6.337 -17.595 1.00 31.12 H new ATOM 0 HB3 SER A 26 20.366 -6.095 -19.183 1.00 31.12 H new ATOM 0 HG SER A 26 19.560 -4.185 -17.261 1.00 21.44 H new ATOM 381 N GLU A 27 18.740 -7.203 -21.090 1.00 53.20 N ATOM 382 CA GLU A 27 18.736 -8.395 -21.930 1.00 3.03 C ATOM 383 C GLU A 27 19.710 -9.441 -21.394 1.00 11.32 C ATOM 384 O GLU A 27 19.666 -10.606 -21.790 1.00 0.33 O ATOM 385 CB GLU A 27 19.102 -8.032 -23.370 1.00 64.24 C ATOM 386 CG GLU A 27 20.462 -7.366 -23.504 1.00 33.43 C ATOM 387 CD GLU A 27 20.915 -7.250 -24.946 1.00 2.40 C ATOM 388 OE1 GLU A 27 20.225 -6.568 -25.732 1.00 72.33 O ATOM 389 OE2 GLU A 27 21.961 -7.840 -25.288 1.00 4.21 O ATOM 0 H GLU A 27 19.233 -6.405 -21.491 1.00 53.20 H new ATOM 0 HA GLU A 27 17.731 -8.817 -21.914 1.00 3.03 H new ATOM 0 HB2 GLU A 27 19.088 -8.936 -23.978 1.00 64.24 H new ATOM 0 HB3 GLU A 27 18.339 -7.365 -23.773 1.00 64.24 H new ATOM 0 HG2 GLU A 27 20.421 -6.372 -23.059 1.00 33.43 H new ATOM 0 HG3 GLU A 27 21.199 -7.937 -22.940 1.00 33.43 H new ATOM 396 N ASP A 28 20.588 -9.016 -20.492 1.00 13.30 N ATOM 397 CA ASP A 28 21.572 -9.914 -19.901 1.00 24.43 C ATOM 398 C ASP A 28 21.159 -10.320 -18.489 1.00 62.34 C ATOM 399 O ASP A 28 21.560 -11.373 -17.994 1.00 45.22 O ATOM 400 CB ASP A 28 22.949 -9.249 -19.871 1.00 10.51 C ATOM 401 CG ASP A 28 24.073 -10.232 -20.131 1.00 43.44 C ATOM 402 OD1 ASP A 28 24.125 -10.791 -21.247 1.00 4.25 O ATOM 403 OD2 ASP A 28 24.901 -10.442 -19.220 1.00 32.43 O ATOM 0 H ASP A 28 20.638 -8.055 -20.154 1.00 13.30 H new ATOM 0 HA ASP A 28 21.624 -10.811 -20.518 1.00 24.43 H new ATOM 0 HB2 ASP A 28 22.983 -8.457 -20.619 1.00 10.51 H new ATOM 0 HB3 ASP A 28 23.100 -8.777 -18.900 1.00 10.51 H new ATOM 408 N GLU A 29 20.356 -9.477 -17.848 1.00 21.42 N ATOM 409 CA GLU A 29 19.891 -9.749 -16.493 1.00 11.53 C ATOM 410 C GLU A 29 18.640 -8.934 -16.174 1.00 24.25 C ATOM 411 O GLU A 29 18.301 -7.994 -16.891 1.00 13.34 O ATOM 412 CB GLU A 29 20.992 -9.431 -15.479 1.00 31.34 C ATOM 413 CG GLU A 29 21.265 -7.945 -15.322 1.00 1.13 C ATOM 414 CD GLU A 29 22.622 -7.663 -14.707 1.00 43.20 C ATOM 415 OE1 GLU A 29 23.317 -8.630 -14.332 1.00 61.21 O ATOM 416 OE2 GLU A 29 22.989 -6.474 -14.601 1.00 43.33 O ATOM 0 H GLU A 29 20.014 -8.601 -18.244 1.00 21.42 H new ATOM 0 HA GLU A 29 19.641 -10.808 -16.427 1.00 11.53 H new ATOM 0 HB2 GLU A 29 20.712 -9.845 -14.510 1.00 31.34 H new ATOM 0 HB3 GLU A 29 21.911 -9.930 -15.785 1.00 31.34 H new ATOM 0 HG2 GLU A 29 21.205 -7.463 -16.298 1.00 1.13 H new ATOM 0 HG3 GLU A 29 20.489 -7.501 -14.699 1.00 1.13 H new ATOM 423 N GLU A 30 17.960 -9.304 -15.093 1.00 23.02 N ATOM 424 CA GLU A 30 16.747 -8.609 -14.680 1.00 12.22 C ATOM 425 C GLU A 30 16.490 -8.802 -13.188 1.00 60.20 C ATOM 426 O GLU A 30 16.408 -9.931 -12.702 1.00 43.43 O ATOM 427 CB GLU A 30 15.546 -9.111 -15.484 1.00 50.44 C ATOM 428 CG GLU A 30 14.242 -8.416 -15.130 1.00 3.44 C ATOM 429 CD GLU A 30 13.138 -8.700 -16.130 1.00 24.24 C ATOM 430 OE1 GLU A 30 13.211 -9.745 -16.811 1.00 13.44 O ATOM 431 OE2 GLU A 30 12.203 -7.879 -16.231 1.00 62.24 O ATOM 0 H GLU A 30 18.229 -10.080 -14.488 1.00 23.02 H new ATOM 0 HA GLU A 30 16.886 -7.545 -14.873 1.00 12.22 H new ATOM 0 HB2 GLU A 30 15.746 -8.970 -16.546 1.00 50.44 H new ATOM 0 HB3 GLU A 30 15.433 -10.183 -15.321 1.00 50.44 H new ATOM 0 HG2 GLU A 30 13.921 -8.738 -14.139 1.00 3.44 H new ATOM 0 HG3 GLU A 30 14.411 -7.340 -15.077 1.00 3.44 H new ATOM 438 N TYR A 31 16.364 -7.694 -12.467 1.00 45.30 N ATOM 439 CA TYR A 31 16.120 -7.740 -11.030 1.00 61.03 C ATOM 440 C TYR A 31 15.456 -6.454 -10.549 1.00 0.41 C ATOM 441 O TYR A 31 15.478 -5.433 -11.238 1.00 23.43 O ATOM 442 CB TYR A 31 17.432 -7.963 -10.276 1.00 33.44 C ATOM 443 CG TYR A 31 18.429 -6.840 -10.449 1.00 60.33 C ATOM 444 CD1 TYR A 31 18.309 -5.660 -9.727 1.00 54.40 C ATOM 445 CD2 TYR A 31 19.493 -6.961 -11.335 1.00 53.54 C ATOM 446 CE1 TYR A 31 19.217 -4.631 -9.883 1.00 41.23 C ATOM 447 CE2 TYR A 31 20.407 -5.937 -11.497 1.00 31.40 C ATOM 448 CZ TYR A 31 20.264 -4.774 -10.769 1.00 65.51 C ATOM 449 OH TYR A 31 21.172 -3.752 -10.927 1.00 24.54 O ATOM 0 H TYR A 31 16.427 -6.752 -12.854 1.00 45.30 H new ATOM 0 HA TYR A 31 15.446 -8.573 -10.828 1.00 61.03 H new ATOM 0 HB2 TYR A 31 17.215 -8.084 -9.215 1.00 33.44 H new ATOM 0 HB3 TYR A 31 17.884 -8.894 -10.618 1.00 33.44 H new ATOM 0 HD1 TYR A 31 17.491 -5.545 -9.031 1.00 54.40 H new ATOM 0 HD2 TYR A 31 19.607 -7.870 -11.906 1.00 53.54 H new ATOM 0 HE1 TYR A 31 19.108 -3.719 -9.314 1.00 41.23 H new ATOM 0 HE2 TYR A 31 21.228 -6.047 -12.190 1.00 31.40 H new ATOM 0 HH TYR A 31 20.894 -3.180 -11.673 1.00 24.54 H new ATOM 459 N LYS A 32 14.865 -6.510 -9.360 1.00 43.30 N ATOM 460 CA LYS A 32 14.196 -5.350 -8.782 1.00 74.54 C ATOM 461 C LYS A 32 14.463 -5.258 -7.284 1.00 23.34 C ATOM 462 O LYS A 32 14.373 -6.254 -6.565 1.00 40.40 O ATOM 463 CB LYS A 32 12.689 -5.426 -9.038 1.00 73.25 C ATOM 464 CG LYS A 32 12.324 -5.480 -10.512 1.00 0.41 C ATOM 465 CD LYS A 32 10.925 -6.035 -10.720 1.00 62.34 C ATOM 466 CE LYS A 32 10.858 -6.928 -11.950 1.00 54.54 C ATOM 467 NZ LYS A 32 11.244 -8.332 -11.639 1.00 42.52 N ATOM 0 H LYS A 32 14.836 -7.347 -8.778 1.00 43.30 H new ATOM 0 HA LYS A 32 14.596 -4.456 -9.260 1.00 74.54 H new ATOM 0 HB2 LYS A 32 12.289 -6.309 -8.541 1.00 73.25 H new ATOM 0 HB3 LYS A 32 12.208 -4.559 -8.585 1.00 73.25 H new ATOM 0 HG2 LYS A 32 12.387 -4.480 -10.940 1.00 0.41 H new ATOM 0 HG3 LYS A 32 13.045 -6.100 -11.044 1.00 0.41 H new ATOM 0 HD2 LYS A 32 10.623 -6.603 -9.840 1.00 62.34 H new ATOM 0 HD3 LYS A 32 10.218 -5.212 -10.827 1.00 62.34 H new ATOM 0 HE2 LYS A 32 9.847 -6.911 -12.356 1.00 54.54 H new ATOM 0 HE3 LYS A 32 11.518 -6.533 -12.722 1.00 54.54 H new ATOM 0 HZ1 LYS A 32 10.664 -8.985 -12.204 1.00 42.52 H new ATOM 0 HZ2 LYS A 32 12.248 -8.475 -11.868 1.00 42.52 H new ATOM 0 HZ3 LYS A 32 11.090 -8.519 -10.628 1.00 42.52 H new ATOM 481 N SER A 33 14.791 -4.057 -6.818 1.00 64.24 N ATOM 482 CA SER A 33 15.074 -3.836 -5.405 1.00 43.11 C ATOM 483 C SER A 33 15.105 -2.345 -5.084 1.00 51.32 C ATOM 484 O SER A 33 15.546 -1.532 -5.897 1.00 53.41 O ATOM 485 CB SER A 33 16.409 -4.479 -5.024 1.00 1.23 C ATOM 486 OG SER A 33 16.237 -5.841 -4.671 1.00 41.53 O ATOM 0 H SER A 33 14.867 -3.222 -7.399 1.00 64.24 H new ATOM 0 HA SER A 33 14.277 -4.299 -4.823 1.00 43.11 H new ATOM 0 HB2 SER A 33 17.105 -4.402 -5.859 1.00 1.23 H new ATOM 0 HB3 SER A 33 16.852 -3.937 -4.189 1.00 1.23 H new ATOM 0 HG SER A 33 15.475 -6.213 -5.163 1.00 41.53 H new ATOM 492 N CYS A 34 14.633 -1.993 -3.893 1.00 1.41 N ATOM 493 CA CYS A 34 14.605 -0.600 -3.462 1.00 71.11 C ATOM 494 C CYS A 34 14.000 -0.475 -2.067 1.00 2.53 C ATOM 495 O CYS A 34 13.803 -1.471 -1.372 1.00 41.41 O ATOM 496 CB CYS A 34 13.805 0.246 -4.455 1.00 3.45 C ATOM 497 SG CYS A 34 14.588 1.837 -4.875 1.00 31.13 S ATOM 0 H CYS A 34 14.264 -2.653 -3.209 1.00 1.41 H new ATOM 0 HA CYS A 34 15.631 -0.235 -3.428 1.00 71.11 H new ATOM 0 HB2 CYS A 34 13.659 -0.328 -5.370 1.00 3.45 H new ATOM 0 HB3 CYS A 34 12.816 0.438 -4.038 1.00 3.45 H new ATOM 0 HG CYS A 34 15.732 1.932 -4.264 1.00 31.13 H new ATOM 502 N GLY A 35 13.708 0.758 -1.663 1.00 55.21 N ATOM 503 CA GLY A 35 13.128 0.992 -0.353 1.00 43.02 C ATOM 504 C GLY A 35 13.090 2.463 0.010 1.00 43.23 C ATOM 505 O GLY A 35 12.048 3.110 -0.100 1.00 30.50 O ATOM 0 H GLY A 35 13.863 1.599 -2.219 1.00 55.21 H new ATOM 0 HA2 GLY A 35 12.115 0.589 -0.330 1.00 43.02 H new ATOM 0 HA3 GLY A 35 13.704 0.450 0.398 1.00 43.02 H new ATOM 509 N ILE A 36 14.229 2.993 0.444 1.00 15.34 N ATOM 510 CA ILE A 36 14.320 4.397 0.825 1.00 5.22 C ATOM 511 C ILE A 36 15.112 5.196 -0.205 1.00 71.41 C ATOM 512 O ILE A 36 16.148 4.744 -0.691 1.00 24.00 O ATOM 513 CB ILE A 36 14.982 4.564 2.206 1.00 62.11 C ATOM 514 CG1 ILE A 36 16.185 3.627 2.336 1.00 40.14 C ATOM 515 CG2 ILE A 36 13.973 4.296 3.313 1.00 63.34 C ATOM 516 CD1 ILE A 36 16.934 3.783 3.641 1.00 61.25 C ATOM 0 H ILE A 36 15.100 2.472 0.540 1.00 15.34 H new ATOM 0 HA ILE A 36 13.300 4.778 0.871 1.00 5.22 H new ATOM 0 HB ILE A 36 15.333 5.591 2.302 1.00 62.11 H new ATOM 0 HG12 ILE A 36 15.844 2.596 2.243 1.00 40.14 H new ATOM 0 HG13 ILE A 36 16.870 3.812 1.509 1.00 40.14 H new ATOM 0 HG21 ILE A 36 14.456 4.418 4.283 1.00 63.34 H new ATOM 0 HG22 ILE A 36 13.145 5.000 3.229 1.00 63.34 H new ATOM 0 HG23 ILE A 36 13.594 3.278 3.222 1.00 63.34 H new ATOM 0 HD11 ILE A 36 17.774 3.088 3.664 1.00 61.25 H new ATOM 0 HD12 ILE A 36 17.306 4.804 3.727 1.00 61.25 H new ATOM 0 HD13 ILE A 36 16.263 3.569 4.473 1.00 61.25 H new ATOM 528 N GLN A 37 14.617 6.385 -0.532 1.00 35.12 N ATOM 529 CA GLN A 37 15.279 7.247 -1.504 1.00 34.22 C ATOM 530 C GLN A 37 16.754 7.421 -1.161 1.00 4.04 C ATOM 531 O GLN A 37 17.588 7.611 -2.045 1.00 42.03 O ATOM 532 CB GLN A 37 14.591 8.612 -1.558 1.00 51.03 C ATOM 533 CG GLN A 37 15.079 9.494 -2.696 1.00 2.32 C ATOM 534 CD GLN A 37 14.107 9.539 -3.858 1.00 41.12 C ATOM 535 OE1 GLN A 37 13.465 10.560 -4.106 1.00 72.13 O ATOM 536 NE2 GLN A 37 13.994 8.430 -4.579 1.00 20.52 N ATOM 0 H GLN A 37 13.760 6.773 -0.138 1.00 35.12 H new ATOM 0 HA GLN A 37 15.206 6.772 -2.483 1.00 34.22 H new ATOM 0 HB2 GLN A 37 13.516 8.464 -1.659 1.00 51.03 H new ATOM 0 HB3 GLN A 37 14.754 9.129 -0.613 1.00 51.03 H new ATOM 0 HG2 GLN A 37 15.240 10.505 -2.323 1.00 2.32 H new ATOM 0 HG3 GLN A 37 16.043 9.126 -3.048 1.00 2.32 H new ATOM 0 HE21 GLN A 37 14.545 7.607 -4.338 1.00 20.52 H new ATOM 0 HE22 GLN A 37 13.356 8.401 -5.374 1.00 20.52 H new ATOM 545 N GLU A 38 17.069 7.355 0.129 1.00 12.24 N ATOM 546 CA GLU A 38 18.444 7.507 0.588 1.00 5.24 C ATOM 547 C GLU A 38 19.315 6.359 0.087 1.00 63.22 C ATOM 548 O GLU A 38 20.472 6.559 -0.282 1.00 0.41 O ATOM 549 CB GLU A 38 18.492 7.568 2.117 1.00 70.14 C ATOM 550 CG GLU A 38 19.900 7.668 2.678 1.00 2.32 C ATOM 551 CD GLU A 38 20.722 8.748 2.002 1.00 4.22 C ATOM 552 OE1 GLU A 38 20.175 9.843 1.753 1.00 62.52 O ATOM 553 OE2 GLU A 38 21.914 8.498 1.723 1.00 52.42 O ATOM 0 H GLU A 38 16.390 7.197 0.874 1.00 12.24 H new ATOM 0 HA GLU A 38 18.834 8.440 0.182 1.00 5.24 H new ATOM 0 HB2 GLU A 38 17.913 8.427 2.456 1.00 70.14 H new ATOM 0 HB3 GLU A 38 18.010 6.678 2.523 1.00 70.14 H new ATOM 0 HG2 GLU A 38 19.847 7.873 3.747 1.00 2.32 H new ATOM 0 HG3 GLU A 38 20.403 6.708 2.562 1.00 2.32 H new ATOM 560 N GLU A 39 18.750 5.156 0.077 1.00 20.41 N ATOM 561 CA GLU A 39 19.475 3.975 -0.378 1.00 4.24 C ATOM 562 C GLU A 39 19.386 3.833 -1.894 1.00 61.53 C ATOM 563 O GLU A 39 20.377 3.529 -2.560 1.00 54.42 O ATOM 564 CB GLU A 39 18.923 2.718 0.297 1.00 14.23 C ATOM 565 CG GLU A 39 19.255 2.626 1.777 1.00 20.40 C ATOM 566 CD GLU A 39 20.542 1.868 2.040 1.00 71.35 C ATOM 567 OE1 GLU A 39 21.287 1.610 1.072 1.00 45.24 O ATOM 568 OE2 GLU A 39 20.803 1.532 3.214 1.00 42.51 O ATOM 0 H GLU A 39 17.793 4.973 0.379 1.00 20.41 H new ATOM 0 HA GLU A 39 20.523 4.095 -0.103 1.00 4.24 H new ATOM 0 HB2 GLU A 39 17.840 2.696 0.174 1.00 14.23 H new ATOM 0 HB3 GLU A 39 19.320 1.839 -0.211 1.00 14.23 H new ATOM 0 HG2 GLU A 39 19.339 3.631 2.190 1.00 20.40 H new ATOM 0 HG3 GLU A 39 18.435 2.134 2.300 1.00 20.40 H new ATOM 575 N CYS A 40 18.192 4.053 -2.434 1.00 60.31 N ATOM 576 CA CYS A 40 17.971 3.948 -3.871 1.00 51.23 C ATOM 577 C CYS A 40 18.864 4.924 -4.631 1.00 40.54 C ATOM 578 O CYS A 40 19.124 4.745 -5.821 1.00 11.53 O ATOM 579 CB CYS A 40 16.502 4.219 -4.203 1.00 62.14 C ATOM 580 SG CYS A 40 15.597 2.760 -4.812 1.00 55.24 S ATOM 0 H CYS A 40 17.362 4.305 -1.897 1.00 60.31 H new ATOM 0 HA CYS A 40 18.225 2.934 -4.180 1.00 51.23 H new ATOM 0 HB2 CYS A 40 16.003 4.597 -3.311 1.00 62.14 H new ATOM 0 HB3 CYS A 40 16.450 5.006 -4.955 1.00 62.14 H new ATOM 0 HG CYS A 40 14.605 2.500 -4.013 1.00 55.24 H new ATOM 585 N GLU A 41 19.330 5.957 -3.935 1.00 62.42 N ATOM 586 CA GLU A 41 20.193 6.961 -4.545 1.00 45.10 C ATOM 587 C GLU A 41 21.578 6.387 -4.832 1.00 72.22 C ATOM 588 O GLU A 41 22.403 7.025 -5.487 1.00 33.25 O ATOM 589 CB GLU A 41 20.316 8.183 -3.632 1.00 74.11 C ATOM 590 CG GLU A 41 19.853 9.477 -4.281 1.00 65.55 C ATOM 591 CD GLU A 41 20.237 10.703 -3.476 1.00 62.15 C ATOM 592 OE1 GLU A 41 20.654 10.542 -2.310 1.00 72.45 O ATOM 593 OE2 GLU A 41 20.121 11.825 -4.013 1.00 71.55 O ATOM 0 H GLU A 41 19.124 6.120 -2.949 1.00 62.42 H new ATOM 0 HA GLU A 41 19.741 7.265 -5.489 1.00 45.10 H new ATOM 0 HB2 GLU A 41 19.732 8.011 -2.728 1.00 74.11 H new ATOM 0 HB3 GLU A 41 21.356 8.293 -3.324 1.00 74.11 H new ATOM 0 HG2 GLU A 41 20.284 9.553 -5.279 1.00 65.55 H new ATOM 0 HG3 GLU A 41 18.770 9.451 -4.402 1.00 65.55 H new ATOM 600 N ASP A 42 21.825 5.179 -4.338 1.00 33.22 N ATOM 601 CA ASP A 42 23.108 4.517 -4.541 1.00 3.21 C ATOM 602 C ASP A 42 23.498 4.528 -6.016 1.00 34.41 C ATOM 603 O ASP A 42 24.680 4.567 -6.356 1.00 33.33 O ATOM 604 CB ASP A 42 23.052 3.078 -4.026 1.00 13.22 C ATOM 605 CG ASP A 42 23.711 2.923 -2.669 1.00 75.42 C ATOM 606 OD1 ASP A 42 23.766 3.919 -1.918 1.00 53.12 O ATOM 607 OD2 ASP A 42 24.170 1.804 -2.358 1.00 41.12 O ATOM 0 H ASP A 42 21.153 4.638 -3.794 1.00 33.22 H new ATOM 0 HA ASP A 42 23.864 5.066 -3.980 1.00 3.21 H new ATOM 0 HB2 ASP A 42 22.012 2.759 -3.960 1.00 13.22 H new ATOM 0 HB3 ASP A 42 23.543 2.419 -4.742 1.00 13.22 H new ATOM 612 N ALA A 43 22.495 4.491 -6.888 1.00 0.25 N ATOM 613 CA ALA A 43 22.732 4.497 -8.326 1.00 5.44 C ATOM 614 C ALA A 43 23.256 5.852 -8.790 1.00 13.52 C ATOM 615 O ALA A 43 22.489 6.701 -9.243 1.00 51.31 O ATOM 616 CB ALA A 43 21.457 4.138 -9.073 1.00 33.02 C ATOM 0 H ALA A 43 21.511 4.457 -6.623 1.00 0.25 H new ATOM 0 HA ALA A 43 23.492 3.748 -8.547 1.00 5.44 H new ATOM 0 HB1 ALA A 43 21.649 4.146 -10.146 1.00 33.02 H new ATOM 0 HB2 ALA A 43 21.126 3.144 -8.771 1.00 33.02 H new ATOM 0 HB3 ALA A 43 20.680 4.866 -8.838 1.00 33.02 H new ATOM 622 N GLU A 44 24.565 6.048 -8.673 1.00 25.33 N ATOM 623 CA GLU A 44 25.190 7.301 -9.079 1.00 54.35 C ATOM 624 C GLU A 44 25.043 7.519 -10.583 1.00 2.23 C ATOM 625 O GLU A 44 25.304 6.619 -11.380 1.00 5.42 O ATOM 626 CB GLU A 44 26.670 7.308 -8.694 1.00 3.22 C ATOM 627 CG GLU A 44 27.423 6.069 -9.147 1.00 61.33 C ATOM 628 CD GLU A 44 28.922 6.192 -8.952 1.00 12.31 C ATOM 629 OE1 GLU A 44 29.382 7.285 -8.561 1.00 54.41 O ATOM 630 OE2 GLU A 44 29.635 5.195 -9.190 1.00 33.20 O ATOM 0 H GLU A 44 25.214 5.355 -8.300 1.00 25.33 H new ATOM 0 HA GLU A 44 24.684 8.115 -8.559 1.00 54.35 H new ATOM 0 HB2 GLU A 44 27.145 8.189 -9.125 1.00 3.22 H new ATOM 0 HB3 GLU A 44 26.755 7.398 -7.611 1.00 3.22 H new ATOM 0 HG2 GLU A 44 27.058 5.204 -8.593 1.00 61.33 H new ATOM 0 HG3 GLU A 44 27.212 5.885 -10.200 1.00 61.33 H new ATOM 637 N GLY A 45 24.623 8.722 -10.962 1.00 55.23 N ATOM 638 CA GLY A 45 24.448 9.037 -12.368 1.00 54.40 C ATOM 639 C GLY A 45 23.058 8.699 -12.869 1.00 54.44 C ATOM 640 O GLY A 45 22.667 9.111 -13.961 1.00 63.04 O ATOM 0 H GLY A 45 24.401 9.484 -10.321 1.00 55.23 H new ATOM 0 HA2 GLY A 45 24.640 10.098 -12.526 1.00 54.40 H new ATOM 0 HA3 GLY A 45 25.186 8.489 -12.954 1.00 54.40 H new ATOM 644 N ALA A 46 22.309 7.946 -12.070 1.00 40.04 N ATOM 645 CA ALA A 46 20.955 7.553 -12.439 1.00 53.11 C ATOM 646 C ALA A 46 19.922 8.255 -11.564 1.00 51.10 C ATOM 647 O ALA A 46 20.240 8.741 -10.478 1.00 14.10 O ATOM 648 CB ALA A 46 20.797 6.043 -12.337 1.00 50.21 C ATOM 0 H ALA A 46 22.617 7.596 -11.163 1.00 40.04 H new ATOM 0 HA ALA A 46 20.784 7.856 -13.472 1.00 53.11 H new ATOM 0 HB1 ALA A 46 19.781 5.764 -12.615 1.00 50.21 H new ATOM 0 HB2 ALA A 46 21.504 5.557 -13.009 1.00 50.21 H new ATOM 0 HB3 ALA A 46 20.993 5.725 -11.313 1.00 50.21 H new ATOM 654 N THR A 47 18.683 8.306 -12.044 1.00 31.04 N ATOM 655 CA THR A 47 17.604 8.950 -11.306 1.00 13.30 C ATOM 656 C THR A 47 16.632 7.920 -10.742 1.00 54.33 C ATOM 657 O THR A 47 16.325 6.921 -11.392 1.00 32.41 O ATOM 658 CB THR A 47 16.827 9.939 -12.196 1.00 2.21 C ATOM 659 OG1 THR A 47 17.716 10.936 -12.712 1.00 23.00 O ATOM 660 CG2 THR A 47 15.707 10.608 -11.413 1.00 24.43 C ATOM 0 H THR A 47 18.402 7.909 -12.941 1.00 31.04 H new ATOM 0 HA THR A 47 18.066 9.497 -10.484 1.00 13.30 H new ATOM 0 HB THR A 47 16.388 9.381 -13.023 1.00 2.21 H new ATOM 0 HG1 THR A 47 17.215 11.560 -13.278 1.00 23.00 H new ATOM 0 HG21 THR A 47 15.173 11.302 -12.062 1.00 24.43 H new ATOM 0 HG22 THR A 47 15.016 9.849 -11.046 1.00 24.43 H new ATOM 0 HG23 THR A 47 16.129 11.153 -10.569 1.00 24.43 H new ATOM 668 N VAL A 48 16.149 8.171 -9.529 1.00 73.24 N ATOM 669 CA VAL A 48 15.209 7.266 -8.879 1.00 21.54 C ATOM 670 C VAL A 48 13.805 7.859 -8.849 1.00 1.00 C ATOM 671 O VAL A 48 13.573 8.901 -8.235 1.00 54.43 O ATOM 672 CB VAL A 48 15.648 6.941 -7.438 1.00 41.33 C ATOM 673 CG1 VAL A 48 14.739 5.885 -6.828 1.00 5.10 C ATOM 674 CG2 VAL A 48 17.100 6.487 -7.414 1.00 35.42 C ATOM 0 H VAL A 48 16.393 8.993 -8.977 1.00 73.24 H new ATOM 0 HA VAL A 48 15.199 6.347 -9.465 1.00 21.54 H new ATOM 0 HB VAL A 48 15.565 7.847 -6.837 1.00 41.33 H new ATOM 0 HG11 VAL A 48 15.064 5.668 -5.811 1.00 5.10 H new ATOM 0 HG12 VAL A 48 13.714 6.254 -6.810 1.00 5.10 H new ATOM 0 HG13 VAL A 48 14.787 4.975 -7.426 1.00 5.10 H new ATOM 0 HG21 VAL A 48 17.394 6.262 -6.389 1.00 35.42 H new ATOM 0 HG22 VAL A 48 17.212 5.594 -8.028 1.00 35.42 H new ATOM 0 HG23 VAL A 48 17.736 7.280 -7.808 1.00 35.42 H new ATOM 684 N LEU A 49 12.871 7.189 -9.515 1.00 65.22 N ATOM 685 CA LEU A 49 11.488 7.649 -9.565 1.00 41.22 C ATOM 686 C LEU A 49 10.527 6.526 -9.189 1.00 54.45 C ATOM 687 O LEU A 49 10.633 5.408 -9.695 1.00 10.35 O ATOM 688 CB LEU A 49 11.155 8.175 -10.963 1.00 2.04 C ATOM 689 CG LEU A 49 9.987 9.158 -11.049 1.00 71.32 C ATOM 690 CD1 LEU A 49 10.494 10.591 -11.050 1.00 43.41 C ATOM 691 CD2 LEU A 49 9.151 8.885 -12.292 1.00 25.15 C ATOM 0 H LEU A 49 13.047 6.325 -10.028 1.00 65.22 H new ATOM 0 HA LEU A 49 11.373 8.457 -8.843 1.00 41.22 H new ATOM 0 HB2 LEU A 49 12.043 8.660 -11.368 1.00 2.04 H new ATOM 0 HB3 LEU A 49 10.935 7.324 -11.607 1.00 2.04 H new ATOM 0 HG LEU A 49 9.355 9.019 -10.172 1.00 71.32 H new ATOM 0 HD11 LEU A 49 9.648 11.276 -11.112 1.00 43.41 H new ATOM 0 HD12 LEU A 49 11.049 10.781 -10.131 1.00 43.41 H new ATOM 0 HD13 LEU A 49 11.149 10.745 -11.908 1.00 43.41 H new ATOM 0 HD21 LEU A 49 8.324 9.594 -12.337 1.00 25.15 H new ATOM 0 HD22 LEU A 49 9.773 8.996 -13.180 1.00 25.15 H new ATOM 0 HD23 LEU A 49 8.757 7.870 -12.249 1.00 25.15 H new ATOM 703 N CYS A 50 9.586 6.832 -8.301 1.00 65.14 N ATOM 704 CA CYS A 50 8.604 5.850 -7.859 1.00 21.13 C ATOM 705 C CYS A 50 7.184 6.372 -8.061 1.00 24.34 C ATOM 706 O CYS A 50 6.939 7.577 -7.995 1.00 74.43 O ATOM 707 CB CYS A 50 8.827 5.503 -6.385 1.00 50.23 C ATOM 708 SG CYS A 50 8.005 3.968 -5.850 1.00 53.30 S ATOM 0 H CYS A 50 9.483 7.753 -7.874 1.00 65.14 H new ATOM 0 HA CYS A 50 8.730 4.950 -8.461 1.00 21.13 H new ATOM 0 HB2 CYS A 50 9.898 5.412 -6.202 1.00 50.23 H new ATOM 0 HB3 CYS A 50 8.468 6.328 -5.770 1.00 50.23 H new ATOM 713 N CYS A 51 6.253 5.456 -8.306 1.00 11.31 N ATOM 714 CA CYS A 51 4.858 5.822 -8.518 1.00 14.03 C ATOM 715 C CYS A 51 4.042 5.614 -7.245 1.00 54.21 C ATOM 716 O CYS A 51 4.332 4.741 -6.427 1.00 5.30 O ATOM 717 CB CYS A 51 4.260 4.998 -9.660 1.00 24.20 C ATOM 718 SG CYS A 51 5.450 4.577 -10.974 1.00 32.41 S ATOM 0 H CYS A 51 6.440 4.455 -8.363 1.00 11.31 H new ATOM 0 HA CYS A 51 4.822 6.878 -8.784 1.00 14.03 H new ATOM 0 HB2 CYS A 51 3.845 4.077 -9.251 1.00 24.20 H new ATOM 0 HB3 CYS A 51 3.431 5.553 -10.099 1.00 24.20 H new ATOM 723 N PRO A 52 2.995 6.435 -7.073 1.00 73.21 N ATOM 724 CA PRO A 52 2.114 6.360 -5.903 1.00 44.32 C ATOM 725 C PRO A 52 1.253 5.102 -5.905 1.00 50.11 C ATOM 726 O PRO A 52 0.586 4.795 -4.918 1.00 21.22 O ATOM 727 CB PRO A 52 1.238 7.608 -6.038 1.00 44.35 C ATOM 728 CG PRO A 52 1.238 7.915 -7.496 1.00 72.54 C ATOM 729 CD PRO A 52 2.589 7.498 -8.008 1.00 3.14 C ATOM 0 HA PRO A 52 2.677 6.317 -4.971 1.00 44.32 H new ATOM 0 HB2 PRO A 52 0.228 7.424 -5.672 1.00 44.35 H new ATOM 0 HB3 PRO A 52 1.641 8.439 -5.458 1.00 44.35 H new ATOM 0 HG2 PRO A 52 0.443 7.374 -8.009 1.00 72.54 H new ATOM 0 HG3 PRO A 52 1.065 8.977 -7.671 1.00 72.54 H new ATOM 0 HD2 PRO A 52 2.535 7.132 -9.033 1.00 3.14 H new ATOM 0 HD3 PRO A 52 3.295 8.329 -8.003 1.00 3.14 H new ATOM 737 N GLU A 53 1.273 4.378 -7.020 1.00 52.41 N ATOM 738 CA GLU A 53 0.492 3.153 -7.149 1.00 3.42 C ATOM 739 C GLU A 53 1.264 1.956 -6.601 1.00 44.44 C ATOM 740 O GLU A 53 2.383 2.099 -6.107 1.00 60.15 O ATOM 741 CB GLU A 53 0.123 2.909 -8.613 1.00 53.44 C ATOM 742 CG GLU A 53 1.272 2.372 -9.450 1.00 12.02 C ATOM 743 CD GLU A 53 0.999 2.456 -10.939 1.00 11.40 C ATOM 744 OE1 GLU A 53 0.191 3.317 -11.347 1.00 31.42 O ATOM 745 OE2 GLU A 53 1.594 1.662 -11.697 1.00 21.45 O ATOM 0 H GLU A 53 1.821 4.618 -7.846 1.00 52.41 H new ATOM 0 HA GLU A 53 -0.422 3.272 -6.567 1.00 3.42 H new ATOM 0 HB2 GLU A 53 -0.707 2.204 -8.657 1.00 53.44 H new ATOM 0 HB3 GLU A 53 -0.228 3.843 -9.051 1.00 53.44 H new ATOM 0 HG2 GLU A 53 2.178 2.932 -9.218 1.00 12.02 H new ATOM 0 HG3 GLU A 53 1.461 1.334 -9.177 1.00 12.02 H new ATOM 752 N ASP A 54 0.659 0.778 -6.693 1.00 33.43 N ATOM 753 CA ASP A 54 1.288 -0.445 -6.207 1.00 63.15 C ATOM 754 C ASP A 54 1.865 -1.255 -7.364 1.00 62.22 C ATOM 755 O ASP A 54 1.254 -1.359 -8.429 1.00 4.01 O ATOM 756 CB ASP A 54 0.278 -1.290 -5.430 1.00 61.53 C ATOM 757 CG ASP A 54 -0.733 -0.443 -4.683 1.00 61.02 C ATOM 758 OD1 ASP A 54 -1.697 0.030 -5.320 1.00 54.13 O ATOM 759 OD2 ASP A 54 -0.560 -0.254 -3.461 1.00 51.42 O ATOM 0 H ASP A 54 -0.267 0.643 -7.100 1.00 33.43 H new ATOM 0 HA ASP A 54 2.104 -0.165 -5.540 1.00 63.15 H new ATOM 0 HB2 ASP A 54 -0.246 -1.951 -6.121 1.00 61.53 H new ATOM 0 HB3 ASP A 54 0.809 -1.926 -4.722 1.00 61.53 H new ATOM 764 N LEU A 55 3.045 -1.827 -7.149 1.00 11.30 N ATOM 765 CA LEU A 55 3.706 -2.627 -8.174 1.00 74.30 C ATOM 766 C LEU A 55 3.956 -1.802 -9.432 1.00 74.13 C ATOM 767 O LEU A 55 3.480 -2.143 -10.516 1.00 12.42 O ATOM 768 CB LEU A 55 2.859 -3.855 -8.515 1.00 54.42 C ATOM 769 CG LEU A 55 2.562 -4.808 -7.357 1.00 63.44 C ATOM 770 CD1 LEU A 55 1.729 -5.987 -7.837 1.00 14.45 C ATOM 771 CD2 LEU A 55 3.857 -5.293 -6.721 1.00 12.44 C ATOM 0 H LEU A 55 3.563 -1.751 -6.274 1.00 11.30 H new ATOM 0 HA LEU A 55 4.668 -2.955 -7.780 1.00 74.30 H new ATOM 0 HB2 LEU A 55 1.911 -3.514 -8.931 1.00 54.42 H new ATOM 0 HB3 LEU A 55 3.367 -4.416 -9.299 1.00 54.42 H new ATOM 0 HG LEU A 55 1.990 -4.267 -6.603 1.00 63.44 H new ATOM 0 HD11 LEU A 55 1.527 -6.655 -7.000 1.00 14.45 H new ATOM 0 HD12 LEU A 55 0.787 -5.624 -8.247 1.00 14.45 H new ATOM 0 HD13 LEU A 55 2.276 -6.528 -8.609 1.00 14.45 H new ATOM 0 HD21 LEU A 55 3.627 -5.970 -5.899 1.00 12.44 H new ATOM 0 HD22 LEU A 55 4.454 -5.817 -7.467 1.00 12.44 H new ATOM 0 HD23 LEU A 55 4.418 -4.439 -6.342 1.00 12.44 H new ATOM 783 N CYS A 56 4.707 -0.717 -9.282 1.00 40.50 N ATOM 784 CA CYS A 56 5.023 0.157 -10.406 1.00 12.14 C ATOM 785 C CYS A 56 6.416 -0.141 -10.951 1.00 45.42 C ATOM 786 O CYS A 56 6.736 0.206 -12.087 1.00 45.32 O ATOM 787 CB CYS A 56 4.933 1.624 -9.979 1.00 75.34 C ATOM 788 SG CYS A 56 5.273 2.810 -11.319 1.00 64.24 S ATOM 0 H CYS A 56 5.109 -0.421 -8.392 1.00 40.50 H new ATOM 0 HA CYS A 56 4.295 -0.030 -11.196 1.00 12.14 H new ATOM 0 HB2 CYS A 56 3.936 1.816 -9.583 1.00 75.34 H new ATOM 0 HB3 CYS A 56 5.638 1.799 -9.166 1.00 75.34 H new ATOM 793 N ASN A 57 7.241 -0.786 -10.132 1.00 50.15 N ATOM 794 CA ASN A 57 8.601 -1.130 -10.532 1.00 75.44 C ATOM 795 C ASN A 57 8.706 -2.611 -10.883 1.00 74.42 C ATOM 796 O ASN A 57 8.659 -2.986 -12.054 1.00 61.45 O ATOM 797 CB ASN A 57 9.586 -0.789 -9.413 1.00 13.23 C ATOM 798 CG ASN A 57 9.507 -1.765 -8.255 1.00 74.42 C ATOM 799 OD1 ASN A 57 8.434 -2.000 -7.699 1.00 12.13 O ATOM 800 ND2 ASN A 57 10.646 -2.340 -7.887 1.00 52.10 N ATOM 0 H ASN A 57 6.992 -1.081 -9.188 1.00 50.15 H new ATOM 0 HA ASN A 57 8.851 -0.546 -11.417 1.00 75.44 H new ATOM 0 HB2 ASN A 57 10.600 -0.786 -9.814 1.00 13.23 H new ATOM 0 HB3 ASN A 57 9.384 0.219 -9.050 1.00 13.23 H new ATOM 0 HD21 ASN A 57 10.655 -3.006 -7.115 1.00 52.10 H new ATOM 0 HD22 ASN A 57 11.512 -2.115 -8.377 1.00 52.10 H new