USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 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 67 ASN :FLIP amide:sc= -2.84 F(o=-7!,f=-6.4) USER MOD Set 1.2: A 70 ASN : amide:sc= -3.6! C(o=-6.4!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.22! C(o=-3.2!,f=-21!) USER MOD Single : A 18 THR OG1 : rot 6:sc= 0.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -23.7! C(o=-24!,f=-25!) USER MOD Single : A 35 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -140:sc= -5.5! USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.132 (180deg=-0.688) USER MOD Single : A 53 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.19) USER MOD Single : A 58 THR OG1 : rot -170:sc= -3.74! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.094 -10.349 5.161 1.00 0.00 N ATOM 2 CA GLY A 1 -13.341 -8.907 4.871 1.00 0.00 C ATOM 3 C GLY A 1 -12.700 -8.536 3.531 1.00 0.00 C ATOM 4 O GLY A 1 -11.557 -8.130 3.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.530 -10.600 6.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.510 -10.931 4.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.070 -10.523 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.413 -8.710 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.926 -8.289 5.668 1.00 0.00 H new ATOM 8 N LYS A 2 -13.429 -8.673 2.456 1.00 0.00 N ATOM 9 CA LYS A 2 -12.862 -8.327 1.120 1.00 0.00 C ATOM 10 C LYS A 2 -13.939 -7.652 0.269 1.00 0.00 C ATOM 11 O LYS A 2 -14.036 -7.881 -0.921 1.00 0.00 O ATOM 12 CB LYS A 2 -12.388 -9.605 0.423 1.00 0.00 C ATOM 13 CG LYS A 2 -11.603 -9.241 -0.839 1.00 0.00 C ATOM 14 CD LYS A 2 -10.402 -10.178 -0.979 1.00 0.00 C ATOM 15 CE LYS A 2 -9.175 -9.378 -1.417 1.00 0.00 C ATOM 16 NZ LYS A 2 -8.901 -9.635 -2.859 1.00 0.00 N ATOM 0 H LYS A 2 -14.392 -9.009 2.445 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.020 -7.647 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.761 -10.188 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.244 -10.229 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.245 -9.322 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.266 -8.206 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.204 -10.676 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.620 -10.958 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.344 -8.314 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.311 -9.660 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.066 -9.090 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.722 -10.649 -3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.723 -9.345 -3.426 1.00 0.00 H new ATOM 30 N GLU A 3 -14.752 -6.821 0.865 1.00 0.00 N ATOM 31 CA GLU A 3 -15.822 -6.135 0.084 1.00 0.00 C ATOM 32 C GLU A 3 -15.513 -4.640 -0.006 1.00 0.00 C ATOM 33 O GLU A 3 -16.070 -3.932 -0.817 1.00 0.00 O ATOM 34 CB GLU A 3 -17.172 -6.332 0.776 1.00 0.00 C ATOM 35 CG GLU A 3 -18.274 -5.684 -0.063 1.00 0.00 C ATOM 36 CD GLU A 3 -19.404 -6.689 -0.288 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.159 -7.873 -0.129 1.00 0.00 O ATOM 38 OE2 GLU A 3 -20.498 -6.257 -0.617 1.00 0.00 O ATOM 0 H GLU A 3 -14.722 -6.588 1.858 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.862 -6.560 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.375 -7.395 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.150 -5.889 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.657 -4.798 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.870 -5.355 -1.020 1.00 0.00 H new ATOM 45 N CYS A 4 -14.630 -4.159 0.820 1.00 0.00 N ATOM 46 CA CYS A 4 -14.282 -2.709 0.784 1.00 0.00 C ATOM 47 C CYS A 4 -12.768 -2.568 0.614 1.00 0.00 C ATOM 48 O CYS A 4 -12.018 -2.596 1.569 1.00 0.00 O ATOM 49 CB CYS A 4 -14.723 -2.050 2.093 1.00 0.00 C ATOM 50 SG CYS A 4 -16.534 -1.929 2.147 1.00 0.00 S ATOM 0 H CYS A 4 -14.131 -4.707 1.521 1.00 0.00 H new ATOM 0 HA CYS A 4 -14.789 -2.222 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -14.364 -2.632 2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.281 -1.057 2.177 1.00 0.00 H new ATOM 55 N ASP A 5 -12.317 -2.422 -0.601 1.00 0.00 N ATOM 56 CA ASP A 5 -10.855 -2.283 -0.852 1.00 0.00 C ATOM 57 C ASP A 5 -10.367 -0.936 -0.315 1.00 0.00 C ATOM 58 O ASP A 5 -9.204 -0.767 -0.005 1.00 0.00 O ATOM 59 CB ASP A 5 -10.595 -2.358 -2.359 1.00 0.00 C ATOM 60 CG ASP A 5 -9.088 -2.372 -2.617 1.00 0.00 C ATOM 61 OD1 ASP A 5 -8.511 -3.447 -2.581 1.00 0.00 O ATOM 62 OD2 ASP A 5 -8.537 -1.309 -2.847 1.00 0.00 O ATOM 0 H ASP A 5 -12.902 -2.393 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.319 -3.086 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.054 -3.256 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.053 -1.505 -2.861 1.00 0.00 H new ATOM 67 N CYS A 6 -11.243 0.025 -0.208 1.00 0.00 N ATOM 68 CA CYS A 6 -10.825 1.360 0.305 1.00 0.00 C ATOM 69 C CYS A 6 -11.679 1.732 1.519 1.00 0.00 C ATOM 70 O CYS A 6 -12.615 1.039 1.866 1.00 0.00 O ATOM 71 CB CYS A 6 -11.017 2.403 -0.797 1.00 0.00 C ATOM 72 SG CYS A 6 -12.786 2.642 -1.093 1.00 0.00 S ATOM 0 H CYS A 6 -12.230 -0.057 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.776 1.328 0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.555 3.346 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.524 2.076 -1.713 1.00 0.00 H new ATOM 77 N SER A 7 -11.366 2.819 2.173 1.00 0.00 N ATOM 78 CA SER A 7 -12.164 3.224 3.364 1.00 0.00 C ATOM 79 C SER A 7 -12.859 4.562 3.092 1.00 0.00 C ATOM 80 O SER A 7 -13.771 4.949 3.796 1.00 0.00 O ATOM 81 CB SER A 7 -11.237 3.369 4.570 1.00 0.00 C ATOM 82 OG SER A 7 -11.829 2.734 5.696 1.00 0.00 O ATOM 0 H SER A 7 -10.594 3.442 1.934 1.00 0.00 H new ATOM 0 HA SER A 7 -12.917 2.463 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.267 2.921 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.061 4.423 4.783 1.00 0.00 H new ATOM 0 HG SER A 7 -11.236 2.824 6.471 1.00 0.00 H new ATOM 88 N SER A 8 -12.438 5.272 2.081 1.00 0.00 N ATOM 89 CA SER A 8 -13.079 6.583 1.780 1.00 0.00 C ATOM 90 C SER A 8 -14.050 6.420 0.601 1.00 0.00 C ATOM 91 O SER A 8 -13.708 5.819 -0.398 1.00 0.00 O ATOM 92 CB SER A 8 -12.001 7.604 1.413 1.00 0.00 C ATOM 93 OG SER A 8 -11.814 8.500 2.500 1.00 0.00 O ATOM 0 H SER A 8 -11.681 5.002 1.453 1.00 0.00 H new ATOM 0 HA SER A 8 -13.626 6.930 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.065 7.095 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.294 8.155 0.519 1.00 0.00 H new ATOM 0 HG SER A 8 -11.122 9.155 2.269 1.00 0.00 H new ATOM 99 N PRO A 9 -15.237 6.961 0.752 1.00 0.00 N ATOM 100 CA PRO A 9 -16.277 6.891 -0.290 1.00 0.00 C ATOM 101 C PRO A 9 -15.999 7.917 -1.392 1.00 0.00 C ATOM 102 O PRO A 9 -16.489 7.805 -2.498 1.00 0.00 O ATOM 103 CB PRO A 9 -17.564 7.239 0.464 1.00 0.00 C ATOM 104 CG PRO A 9 -17.130 8.033 1.720 1.00 0.00 C ATOM 105 CD PRO A 9 -15.650 7.689 1.969 1.00 0.00 C ATOM 0 HA PRO A 9 -16.325 5.920 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.232 7.833 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.107 6.336 0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.258 9.104 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.741 7.761 2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.052 8.588 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.529 7.074 2.861 1.00 0.00 H new ATOM 113 N GLU A 10 -15.217 8.919 -1.097 1.00 0.00 N ATOM 114 CA GLU A 10 -14.907 9.952 -2.125 1.00 0.00 C ATOM 115 C GLU A 10 -13.631 9.560 -2.871 1.00 0.00 C ATOM 116 O GLU A 10 -12.801 10.391 -3.185 1.00 0.00 O ATOM 117 CB GLU A 10 -14.703 11.307 -1.441 1.00 0.00 C ATOM 118 CG GLU A 10 -15.909 12.208 -1.719 1.00 0.00 C ATOM 119 CD GLU A 10 -17.187 11.517 -1.238 1.00 0.00 C ATOM 120 OE1 GLU A 10 -17.659 10.636 -1.937 1.00 0.00 O ATOM 121 OE2 GLU A 10 -17.670 11.881 -0.179 1.00 0.00 O ATOM 0 H GLU A 10 -14.779 9.067 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.734 10.023 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.579 11.169 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.792 11.778 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.787 13.164 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.978 12.421 -2.786 1.00 0.00 H new ATOM 128 N ASN A 11 -13.466 8.297 -3.157 1.00 0.00 N ATOM 129 CA ASN A 11 -12.243 7.850 -3.882 1.00 0.00 C ATOM 130 C ASN A 11 -12.622 7.450 -5.315 1.00 0.00 C ATOM 131 O ASN A 11 -13.496 6.631 -5.512 1.00 0.00 O ATOM 132 CB ASN A 11 -11.645 6.643 -3.157 1.00 0.00 C ATOM 133 CG ASN A 11 -10.350 6.219 -3.851 1.00 0.00 C ATOM 134 OD1 ASN A 11 -10.139 6.522 -5.008 1.00 0.00 O ATOM 135 ND2 ASN A 11 -9.468 5.522 -3.187 1.00 0.00 N ATOM 0 H ASN A 11 -14.125 7.556 -2.920 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.513 8.659 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.446 6.894 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.356 5.817 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.601 5.232 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.646 5.268 -2.215 1.00 0.00 H new ATOM 142 N PRO A 12 -11.955 8.043 -6.278 1.00 0.00 N ATOM 143 CA PRO A 12 -12.209 7.767 -7.703 1.00 0.00 C ATOM 144 C PRO A 12 -11.548 6.450 -8.127 1.00 0.00 C ATOM 145 O PRO A 12 -11.514 6.114 -9.295 1.00 0.00 O ATOM 146 CB PRO A 12 -11.563 8.956 -8.419 1.00 0.00 C ATOM 147 CG PRO A 12 -10.506 9.530 -7.446 1.00 0.00 C ATOM 148 CD PRO A 12 -10.891 9.041 -6.038 1.00 0.00 C ATOM 0 HA PRO A 12 -13.269 7.658 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.100 8.641 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.309 9.710 -8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.506 9.188 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.493 10.619 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.038 8.598 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.248 9.861 -5.415 1.00 0.00 H new ATOM 156 N CYS A 13 -11.022 5.704 -7.195 1.00 0.00 N ATOM 157 CA CYS A 13 -10.365 4.417 -7.559 1.00 0.00 C ATOM 158 C CYS A 13 -11.205 3.240 -7.059 1.00 0.00 C ATOM 159 O CYS A 13 -11.181 2.165 -7.626 1.00 0.00 O ATOM 160 CB CYS A 13 -8.976 4.352 -6.917 1.00 0.00 C ATOM 161 SG CYS A 13 -7.946 3.190 -7.841 1.00 0.00 S ATOM 0 H CYS A 13 -11.019 5.929 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.274 4.360 -8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.517 5.341 -6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.058 4.036 -5.877 1.00 0.00 H new ATOM 166 N CYS A 14 -11.943 3.425 -6.000 1.00 0.00 N ATOM 167 CA CYS A 14 -12.770 2.304 -5.469 1.00 0.00 C ATOM 168 C CYS A 14 -14.252 2.683 -5.507 1.00 0.00 C ATOM 169 O CYS A 14 -14.650 3.735 -5.051 1.00 0.00 O ATOM 170 CB CYS A 14 -12.359 2.016 -4.023 1.00 0.00 C ATOM 171 SG CYS A 14 -12.878 3.390 -2.966 1.00 0.00 S ATOM 0 H CYS A 14 -12.010 4.300 -5.480 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.611 1.418 -6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.816 1.087 -3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.279 1.882 -3.960 1.00 0.00 H new ATOM 176 N ASP A 15 -15.071 1.819 -6.042 1.00 0.00 N ATOM 177 CA ASP A 15 -16.529 2.105 -6.105 1.00 0.00 C ATOM 178 C ASP A 15 -17.063 2.311 -4.690 1.00 0.00 C ATOM 179 O ASP A 15 -16.832 1.504 -3.810 1.00 0.00 O ATOM 180 CB ASP A 15 -17.249 0.915 -6.734 1.00 0.00 C ATOM 181 CG ASP A 15 -18.541 1.392 -7.401 1.00 0.00 C ATOM 182 OD1 ASP A 15 -18.646 2.579 -7.663 1.00 0.00 O ATOM 183 OD2 ASP A 15 -19.404 0.562 -7.637 1.00 0.00 O ATOM 0 H ASP A 15 -14.789 0.923 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.699 3.001 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.604 0.434 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.475 0.169 -5.972 1.00 0.00 H new ATOM 188 N ALA A 16 -17.778 3.379 -4.465 1.00 0.00 N ATOM 189 CA ALA A 16 -18.333 3.631 -3.106 1.00 0.00 C ATOM 190 C ALA A 16 -19.351 2.543 -2.767 1.00 0.00 C ATOM 191 O ALA A 16 -19.449 2.100 -1.640 1.00 0.00 O ATOM 192 CB ALA A 16 -19.019 4.998 -3.081 1.00 0.00 C ATOM 0 H ALA A 16 -18.002 4.088 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.526 3.617 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.425 5.183 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.294 5.774 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.827 5.013 -3.812 1.00 0.00 H new ATOM 198 N ALA A 17 -20.110 2.105 -3.735 1.00 0.00 N ATOM 199 CA ALA A 17 -21.120 1.042 -3.467 1.00 0.00 C ATOM 200 C ALA A 17 -20.410 -0.210 -2.948 1.00 0.00 C ATOM 201 O ALA A 17 -20.626 -0.640 -1.833 1.00 0.00 O ATOM 202 CB ALA A 17 -21.867 0.707 -4.760 1.00 0.00 C ATOM 0 H ALA A 17 -20.074 2.437 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 17 -21.832 1.395 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.605 -0.070 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -22.370 1.600 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.158 0.353 -5.508 1.00 0.00 H new ATOM 208 N THR A 18 -19.562 -0.799 -3.747 1.00 0.00 N ATOM 209 CA THR A 18 -18.841 -2.022 -3.293 1.00 0.00 C ATOM 210 C THR A 18 -17.500 -1.625 -2.668 1.00 0.00 C ATOM 211 O THR A 18 -16.630 -2.450 -2.481 1.00 0.00 O ATOM 212 CB THR A 18 -18.594 -2.947 -4.488 1.00 0.00 C ATOM 213 OG1 THR A 18 -17.679 -3.967 -4.114 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.015 -2.141 -5.650 1.00 0.00 C ATOM 0 H THR A 18 -19.338 -0.487 -4.692 1.00 0.00 H new ATOM 0 HA THR A 18 -19.447 -2.543 -2.551 1.00 0.00 H new ATOM 0 HB THR A 18 -19.536 -3.399 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.487 -3.899 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 18 -17.840 -2.801 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 18 -18.719 -1.359 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.073 -1.686 -5.344 1.00 0.00 H new ATOM 222 N CYS A 19 -17.336 -0.366 -2.346 1.00 0.00 N ATOM 223 CA CYS A 19 -16.056 0.117 -1.728 1.00 0.00 C ATOM 224 C CYS A 19 -14.868 -0.661 -2.284 1.00 0.00 C ATOM 225 O CYS A 19 -13.921 -0.936 -1.581 1.00 0.00 O ATOM 226 CB CYS A 19 -16.081 -0.066 -0.206 1.00 0.00 C ATOM 227 SG CYS A 19 -17.104 -1.488 0.254 1.00 0.00 S ATOM 0 H CYS A 19 -18.041 0.358 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.956 1.175 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.066 -0.208 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.470 0.836 0.267 1.00 0.00 H new ATOM 232 N LYS A 20 -14.904 -1.023 -3.530 1.00 0.00 N ATOM 233 CA LYS A 20 -13.760 -1.791 -4.099 1.00 0.00 C ATOM 234 C LYS A 20 -13.306 -1.144 -5.407 1.00 0.00 C ATOM 235 O LYS A 20 -13.991 -0.320 -5.972 1.00 0.00 O ATOM 236 CB LYS A 20 -14.196 -3.234 -4.356 1.00 0.00 C ATOM 237 CG LYS A 20 -14.514 -3.918 -3.024 1.00 0.00 C ATOM 238 CD LYS A 20 -13.563 -5.098 -2.816 1.00 0.00 C ATOM 239 CE LYS A 20 -14.006 -6.270 -3.694 1.00 0.00 C ATOM 240 NZ LYS A 20 -12.818 -7.095 -4.055 1.00 0.00 N ATOM 0 H LYS A 20 -15.667 -0.825 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.930 -1.785 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.073 -3.250 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.406 -3.776 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.412 -3.207 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.547 -4.265 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.543 -4.806 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.560 -5.396 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.738 -6.879 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.493 -5.899 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.117 -7.892 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.134 -6.510 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.372 -7.459 -3.189 1.00 0.00 H new ATOM 254 N LEU A 21 -12.150 -1.506 -5.891 1.00 0.00 N ATOM 255 CA LEU A 21 -11.655 -0.898 -7.157 1.00 0.00 C ATOM 256 C LEU A 21 -12.637 -1.193 -8.290 1.00 0.00 C ATOM 257 O LEU A 21 -12.868 -2.330 -8.651 1.00 0.00 O ATOM 258 CB LEU A 21 -10.283 -1.479 -7.504 1.00 0.00 C ATOM 259 CG LEU A 21 -9.260 -1.029 -6.458 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.438 -2.235 -5.996 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.329 0.017 -7.075 1.00 0.00 C ATOM 0 H LEU A 21 -11.529 -2.194 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.569 0.181 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.334 -2.567 -7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.976 -1.147 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.779 -0.595 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.709 -1.915 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.101 -2.981 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.917 -2.669 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.600 0.339 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.809 -0.417 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.914 0.876 -7.405 1.00 0.00 H new ATOM 273 N ARG A 22 -13.219 -0.167 -8.850 1.00 0.00 N ATOM 274 CA ARG A 22 -14.193 -0.366 -9.958 1.00 0.00 C ATOM 275 C ARG A 22 -13.450 -0.609 -11.276 1.00 0.00 C ATOM 276 O ARG A 22 -13.742 -1.554 -11.982 1.00 0.00 O ATOM 277 CB ARG A 22 -15.066 0.883 -10.094 1.00 0.00 C ATOM 278 CG ARG A 22 -16.526 0.471 -10.291 1.00 0.00 C ATOM 279 CD ARG A 22 -17.172 1.378 -11.338 1.00 0.00 C ATOM 280 NE ARG A 22 -18.361 0.694 -11.920 1.00 0.00 N ATOM 281 CZ ARG A 22 -18.262 -0.540 -12.332 1.00 0.00 C ATOM 282 NH1 ARG A 22 -17.881 -0.790 -13.554 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.546 -1.522 -11.521 1.00 0.00 N ATOM 0 H ARG A 22 -13.060 0.805 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.815 -1.232 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.970 1.504 -9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.730 1.483 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.582 -0.570 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.067 0.544 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.469 2.323 -10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.454 1.614 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.250 1.189 -11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.661 -0.021 -14.187 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.803 -1.754 -13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.845 -1.325 -10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.469 -2.487 -11.842 1.00 0.00 H new ATOM 297 N PRO A 23 -12.516 0.260 -11.578 1.00 0.00 N ATOM 298 CA PRO A 23 -11.726 0.170 -12.817 1.00 0.00 C ATOM 299 C PRO A 23 -10.618 -0.877 -12.675 1.00 0.00 C ATOM 300 O PRO A 23 -10.547 -1.592 -11.695 1.00 0.00 O ATOM 301 CB PRO A 23 -11.132 1.575 -12.965 1.00 0.00 C ATOM 302 CG PRO A 23 -11.141 2.205 -11.552 1.00 0.00 C ATOM 303 CD PRO A 23 -12.162 1.408 -10.717 1.00 0.00 C ATOM 0 HA PRO A 23 -12.318 -0.133 -13.680 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.118 1.528 -13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.720 2.174 -13.661 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.150 2.156 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.418 3.258 -11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.733 1.079 -9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.038 2.011 -10.477 1.00 0.00 H new ATOM 311 N GLY A 24 -9.752 -0.971 -13.648 1.00 0.00 N ATOM 312 CA GLY A 24 -8.650 -1.970 -13.573 1.00 0.00 C ATOM 313 C GLY A 24 -7.540 -1.437 -12.663 1.00 0.00 C ATOM 314 O GLY A 24 -6.397 -1.329 -13.058 1.00 0.00 O ATOM 0 H GLY A 24 -9.761 -0.398 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.028 -2.917 -13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.255 -2.167 -14.570 1.00 0.00 H new ATOM 318 N ALA A 25 -7.873 -1.101 -11.448 1.00 0.00 N ATOM 319 CA ALA A 25 -6.844 -0.571 -10.508 1.00 0.00 C ATOM 320 C ALA A 25 -6.531 -1.632 -9.449 1.00 0.00 C ATOM 321 O ALA A 25 -7.415 -2.299 -8.951 1.00 0.00 O ATOM 322 CB ALA A 25 -7.387 0.686 -9.829 1.00 0.00 C ATOM 0 H ALA A 25 -8.815 -1.170 -11.064 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.934 -0.327 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.639 1.079 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.615 1.438 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.294 0.439 -9.278 1.00 0.00 H new ATOM 328 N GLN A 26 -5.281 -1.804 -9.105 1.00 0.00 N ATOM 329 CA GLN A 26 -4.933 -2.831 -8.089 1.00 0.00 C ATOM 330 C GLN A 26 -5.289 -2.330 -6.680 1.00 0.00 C ATOM 331 O GLN A 26 -5.734 -3.091 -5.844 1.00 0.00 O ATOM 332 CB GLN A 26 -3.442 -3.138 -8.181 1.00 0.00 C ATOM 333 CG GLN A 26 -2.645 -1.912 -7.760 1.00 0.00 C ATOM 334 CD GLN A 26 -2.286 -2.041 -6.283 1.00 0.00 C ATOM 335 OE1 GLN A 26 -2.833 -2.874 -5.593 1.00 0.00 O ATOM 336 NE2 GLN A 26 -1.405 -1.237 -5.755 1.00 0.00 N ATOM 0 H GLN A 26 -4.493 -1.279 -9.483 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.503 -3.740 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.194 -3.984 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.181 -3.423 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.740 -1.825 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.228 -1.007 -7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.943 -0.535 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.178 -1.310 -4.763 1.00 0.00 H new ATOM 345 N CYS A 27 -5.115 -1.061 -6.405 1.00 0.00 N ATOM 346 CA CYS A 27 -5.469 -0.543 -5.049 1.00 0.00 C ATOM 347 C CYS A 27 -6.016 0.884 -5.171 1.00 0.00 C ATOM 348 O CYS A 27 -5.735 1.590 -6.119 1.00 0.00 O ATOM 349 CB CYS A 27 -4.229 -0.590 -4.117 1.00 0.00 C ATOM 350 SG CYS A 27 -3.649 1.067 -3.649 1.00 0.00 S ATOM 0 H CYS A 27 -4.746 -0.367 -7.055 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.242 -1.173 -4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.476 -1.153 -3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.422 -1.126 -4.617 1.00 0.00 H new ATOM 355 N GLY A 28 -6.774 1.319 -4.203 1.00 0.00 N ATOM 356 CA GLY A 28 -7.313 2.705 -4.244 1.00 0.00 C ATOM 357 C GLY A 28 -6.388 3.601 -3.432 1.00 0.00 C ATOM 358 O GLY A 28 -6.202 4.764 -3.733 1.00 0.00 O ATOM 0 H GLY A 28 -7.043 0.773 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.376 3.058 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.323 2.732 -3.835 1.00 0.00 H new ATOM 362 N GLU A 29 -5.803 3.060 -2.404 1.00 0.00 N ATOM 363 CA GLU A 29 -4.881 3.863 -1.565 1.00 0.00 C ATOM 364 C GLU A 29 -3.785 2.951 -1.003 1.00 0.00 C ATOM 365 O GLU A 29 -3.956 1.753 -0.902 1.00 0.00 O ATOM 366 CB GLU A 29 -5.680 4.499 -0.430 1.00 0.00 C ATOM 367 CG GLU A 29 -6.017 3.438 0.620 1.00 0.00 C ATOM 368 CD GLU A 29 -5.154 3.651 1.864 1.00 0.00 C ATOM 369 OE1 GLU A 29 -4.441 4.641 1.905 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.219 2.820 2.755 1.00 0.00 O ATOM 0 H GLU A 29 -5.925 2.091 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.412 4.648 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.105 5.305 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.596 4.942 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.073 3.496 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.845 2.442 0.212 1.00 0.00 H new ATOM 377 N GLY A 30 -2.659 3.504 -0.635 1.00 0.00 N ATOM 378 CA GLY A 30 -1.561 2.659 -0.081 1.00 0.00 C ATOM 379 C GLY A 30 -0.227 3.402 -0.199 1.00 0.00 C ATOM 380 O GLY A 30 -0.129 4.413 -0.866 1.00 0.00 O ATOM 0 H GLY A 30 -2.453 4.501 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.764 2.421 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.510 1.713 -0.620 1.00 0.00 H new ATOM 384 N LEU A 31 0.804 2.908 0.436 1.00 0.00 N ATOM 385 CA LEU A 31 2.124 3.590 0.348 1.00 0.00 C ATOM 386 C LEU A 31 2.705 3.377 -1.048 1.00 0.00 C ATOM 387 O LEU A 31 3.239 4.284 -1.656 1.00 0.00 O ATOM 388 CB LEU A 31 3.080 3.002 1.388 1.00 0.00 C ATOM 389 CG LEU A 31 3.507 4.095 2.370 1.00 0.00 C ATOM 390 CD1 LEU A 31 3.972 5.327 1.592 1.00 0.00 C ATOM 391 CD2 LEU A 31 2.322 4.472 3.261 1.00 0.00 C ATOM 0 H LEU A 31 0.787 2.064 1.009 1.00 0.00 H new ATOM 0 HA LEU A 31 1.996 4.656 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.593 2.187 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.956 2.580 0.894 1.00 0.00 H new ATOM 0 HG LEU A 31 4.325 3.727 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.276 6.106 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.817 5.059 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.155 5.695 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.626 5.251 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.504 4.840 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.991 3.595 3.816 1.00 0.00 H new ATOM 403 N CYS A 32 2.614 2.181 -1.561 1.00 0.00 N ATOM 404 CA CYS A 32 3.170 1.914 -2.915 1.00 0.00 C ATOM 405 C CYS A 32 2.035 1.717 -3.921 1.00 0.00 C ATOM 406 O CYS A 32 1.876 0.659 -4.497 1.00 0.00 O ATOM 407 CB CYS A 32 4.044 0.664 -2.864 1.00 0.00 C ATOM 408 SG CYS A 32 5.699 1.131 -2.300 1.00 0.00 S ATOM 0 H CYS A 32 2.180 1.380 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 32 3.772 2.766 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.609 -0.073 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.098 0.201 -3.849 1.00 0.00 H new ATOM 413 N CYS A 33 1.259 2.739 -4.148 1.00 0.00 N ATOM 414 CA CYS A 33 0.143 2.635 -5.129 1.00 0.00 C ATOM 415 C CYS A 33 0.225 3.826 -6.086 1.00 0.00 C ATOM 416 O CYS A 33 -0.328 4.879 -5.834 1.00 0.00 O ATOM 417 CB CYS A 33 -1.198 2.656 -4.390 1.00 0.00 C ATOM 418 SG CYS A 33 -1.650 0.972 -3.916 1.00 0.00 S ATOM 0 H CYS A 33 1.350 3.648 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 33 0.222 1.702 -5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.128 3.288 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.970 3.086 -5.028 1.00 0.00 H new ATOM 423 N GLU A 34 0.923 3.673 -7.180 1.00 0.00 N ATOM 424 CA GLU A 34 1.054 4.794 -8.149 1.00 0.00 C ATOM 425 C GLU A 34 0.000 4.644 -9.239 1.00 0.00 C ATOM 426 O GLU A 34 -0.059 3.644 -9.928 1.00 0.00 O ATOM 427 CB GLU A 34 2.448 4.762 -8.780 1.00 0.00 C ATOM 428 CG GLU A 34 3.510 4.863 -7.683 1.00 0.00 C ATOM 429 CD GLU A 34 4.836 4.306 -8.204 1.00 0.00 C ATOM 430 OE1 GLU A 34 4.833 3.192 -8.702 1.00 0.00 O ATOM 431 OE2 GLU A 34 5.831 5.003 -8.097 1.00 0.00 O ATOM 0 H GLU A 34 1.409 2.816 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 34 0.912 5.743 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.581 3.840 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.559 5.587 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.635 5.902 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.191 4.307 -6.801 1.00 0.00 H new ATOM 438 N GLN A 35 -0.841 5.623 -9.397 1.00 0.00 N ATOM 439 CA GLN A 35 -1.895 5.526 -10.436 1.00 0.00 C ATOM 440 C GLN A 35 -2.781 4.323 -10.124 1.00 0.00 C ATOM 441 O GLN A 35 -3.266 3.647 -11.010 1.00 0.00 O ATOM 442 CB GLN A 35 -1.251 5.352 -11.812 1.00 0.00 C ATOM 443 CG GLN A 35 -2.006 6.195 -12.841 1.00 0.00 C ATOM 444 CD GLN A 35 -1.320 7.553 -12.991 1.00 0.00 C ATOM 445 OE1 GLN A 35 -0.493 7.920 -12.181 1.00 0.00 O ATOM 446 NE2 GLN A 35 -1.629 8.319 -14.001 1.00 0.00 N ATOM 0 H GLN A 35 -0.844 6.485 -8.852 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.495 6.436 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.205 5.655 -11.776 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.269 4.302 -12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.030 5.680 -13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.041 6.331 -12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.324 8.011 -14.681 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.176 9.226 -14.110 1.00 0.00 H new ATOM 455 N CYS A 36 -2.987 4.048 -8.864 1.00 0.00 N ATOM 456 CA CYS A 36 -3.832 2.888 -8.476 1.00 0.00 C ATOM 457 C CYS A 36 -3.180 1.594 -8.966 1.00 0.00 C ATOM 458 O CYS A 36 -3.849 0.628 -9.276 1.00 0.00 O ATOM 459 CB CYS A 36 -5.219 3.029 -9.102 1.00 0.00 C ATOM 460 SG CYS A 36 -6.211 4.181 -8.126 1.00 0.00 S ATOM 0 H CYS A 36 -2.603 4.582 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.927 2.859 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.131 3.388 -10.128 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.710 2.057 -9.145 1.00 0.00 H new ATOM 465 N LYS A 37 -1.879 1.568 -9.033 1.00 0.00 N ATOM 466 CA LYS A 37 -1.177 0.339 -9.495 1.00 0.00 C ATOM 467 C LYS A 37 -0.190 -0.104 -8.416 1.00 0.00 C ATOM 468 O LYS A 37 0.165 0.653 -7.534 1.00 0.00 O ATOM 469 CB LYS A 37 -0.423 0.635 -10.793 1.00 0.00 C ATOM 470 CG LYS A 37 -1.417 0.730 -11.950 1.00 0.00 C ATOM 471 CD LYS A 37 -2.098 -0.625 -12.151 1.00 0.00 C ATOM 472 CE LYS A 37 -2.223 -0.918 -13.647 1.00 0.00 C ATOM 473 NZ LYS A 37 -3.314 -0.085 -14.227 1.00 0.00 N ATOM 0 H LYS A 37 -1.269 2.348 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.903 -0.454 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.132 1.568 -10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.306 -0.151 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.163 1.496 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.901 1.029 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.520 -1.410 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.084 -0.620 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.280 -0.703 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.435 -1.975 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.399 -0.284 -15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.212 -0.311 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.093 0.922 -14.089 1.00 0.00 H new ATOM 487 N PHE A 38 0.245 -1.331 -8.467 1.00 0.00 N ATOM 488 CA PHE A 38 1.193 -1.830 -7.436 1.00 0.00 C ATOM 489 C PHE A 38 2.597 -1.336 -7.765 1.00 0.00 C ATOM 490 O PHE A 38 3.120 -1.603 -8.828 1.00 0.00 O ATOM 491 CB PHE A 38 1.193 -3.360 -7.450 1.00 0.00 C ATOM 492 CG PHE A 38 0.165 -3.910 -6.485 1.00 0.00 C ATOM 493 CD1 PHE A 38 0.058 -3.390 -5.188 1.00 0.00 C ATOM 494 CD2 PHE A 38 -0.669 -4.962 -6.885 1.00 0.00 C ATOM 495 CE1 PHE A 38 -0.886 -3.922 -4.298 1.00 0.00 C ATOM 496 CE2 PHE A 38 -1.607 -5.494 -5.993 1.00 0.00 C ATOM 497 CZ PHE A 38 -1.716 -4.974 -4.701 1.00 0.00 C ATOM 0 H PHE A 38 -0.016 -2.011 -9.181 1.00 0.00 H new ATOM 0 HA PHE A 38 0.890 -1.466 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.980 -3.718 -8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.183 -3.730 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.701 -2.581 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.588 -5.364 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.973 -3.519 -3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.247 -6.307 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.441 -5.384 -4.013 1.00 0.00 H new ATOM 507 N SER A 39 3.223 -0.633 -6.864 1.00 0.00 N ATOM 508 CA SER A 39 4.602 -0.154 -7.142 1.00 0.00 C ATOM 509 C SER A 39 5.499 -1.382 -7.313 1.00 0.00 C ATOM 510 O SER A 39 5.127 -2.340 -7.960 1.00 0.00 O ATOM 511 CB SER A 39 5.095 0.699 -5.972 1.00 0.00 C ATOM 512 OG SER A 39 4.035 1.529 -5.515 1.00 0.00 O ATOM 0 H SER A 39 2.842 -0.372 -5.955 1.00 0.00 H new ATOM 0 HA SER A 39 4.623 0.456 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.445 0.059 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.942 1.310 -6.284 1.00 0.00 H new ATOM 0 HG SER A 39 4.387 2.417 -5.294 1.00 0.00 H new ATOM 518 N ARG A 40 6.664 -1.387 -6.735 1.00 0.00 N ATOM 519 CA ARG A 40 7.535 -2.581 -6.877 1.00 0.00 C ATOM 520 C ARG A 40 8.228 -2.860 -5.544 1.00 0.00 C ATOM 521 O ARG A 40 8.420 -1.972 -4.736 1.00 0.00 O ATOM 522 CB ARG A 40 8.584 -2.329 -7.965 1.00 0.00 C ATOM 523 CG ARG A 40 9.570 -1.259 -7.492 1.00 0.00 C ATOM 524 CD ARG A 40 11.001 -1.773 -7.666 1.00 0.00 C ATOM 525 NE ARG A 40 11.552 -1.283 -8.962 1.00 0.00 N ATOM 526 CZ ARG A 40 11.585 -0.002 -9.216 1.00 0.00 C ATOM 527 NH1 ARG A 40 10.539 0.589 -9.724 1.00 0.00 N ATOM 528 NH2 ARG A 40 12.665 0.686 -8.965 1.00 0.00 N ATOM 0 H ARG A 40 7.048 -0.625 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 40 6.930 -3.443 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.116 -3.253 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.097 -2.007 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.430 -0.341 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.384 -1.015 -6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.625 -1.430 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.013 -2.863 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 40 11.903 -1.948 -9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.696 0.051 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.564 1.589 -9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.484 0.224 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.690 1.686 -9.164 1.00 0.00 H new ATOM 542 N ALA A 41 8.606 -4.085 -5.305 1.00 0.00 N ATOM 543 CA ALA A 41 9.288 -4.413 -4.026 1.00 0.00 C ATOM 544 C ALA A 41 10.667 -3.771 -4.038 1.00 0.00 C ATOM 545 O ALA A 41 11.118 -3.281 -5.053 1.00 0.00 O ATOM 546 CB ALA A 41 9.415 -5.930 -3.884 1.00 0.00 C ATOM 0 H ALA A 41 8.471 -4.871 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 41 8.711 -4.033 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.916 -6.167 -2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.422 -6.380 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.998 -6.326 -4.716 1.00 0.00 H new ATOM 552 N GLY A 42 11.333 -3.726 -2.921 1.00 0.00 N ATOM 553 CA GLY A 42 12.655 -3.061 -2.913 1.00 0.00 C ATOM 554 C GLY A 42 12.389 -1.576 -3.099 1.00 0.00 C ATOM 555 O GLY A 42 13.204 -0.841 -3.620 1.00 0.00 O ATOM 0 H GLY A 42 11.024 -4.114 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.178 -3.247 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.288 -3.445 -3.713 1.00 0.00 H new ATOM 559 N LYS A 43 11.230 -1.134 -2.683 1.00 0.00 N ATOM 560 CA LYS A 43 10.885 0.308 -2.847 1.00 0.00 C ATOM 561 C LYS A 43 10.826 0.966 -1.468 1.00 0.00 C ATOM 562 O LYS A 43 10.215 0.463 -0.553 1.00 0.00 O ATOM 563 CB LYS A 43 9.535 0.428 -3.578 1.00 0.00 C ATOM 564 CG LYS A 43 8.795 1.701 -3.143 1.00 0.00 C ATOM 565 CD LYS A 43 9.585 2.930 -3.600 1.00 0.00 C ATOM 566 CE LYS A 43 8.816 3.645 -4.712 1.00 0.00 C ATOM 567 NZ LYS A 43 7.530 4.167 -4.168 1.00 0.00 N ATOM 0 H LYS A 43 10.512 -1.706 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 43 11.643 0.816 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.699 0.447 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.921 -0.447 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.794 1.718 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.676 1.714 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.744 3.606 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.570 2.630 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.413 4.464 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.623 2.958 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.283 5.054 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.777 3.466 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.631 4.346 -3.149 1.00 0.00 H new ATOM 581 N ILE A 44 11.466 2.084 -1.312 1.00 0.00 N ATOM 582 CA ILE A 44 11.458 2.758 0.012 1.00 0.00 C ATOM 583 C ILE A 44 10.048 3.277 0.341 1.00 0.00 C ATOM 584 O ILE A 44 9.738 4.431 0.120 1.00 0.00 O ATOM 585 CB ILE A 44 12.436 3.931 -0.022 1.00 0.00 C ATOM 586 CG1 ILE A 44 12.503 4.584 1.356 1.00 0.00 C ATOM 587 CG2 ILE A 44 11.954 4.957 -1.037 1.00 0.00 C ATOM 588 CD1 ILE A 44 12.751 3.508 2.405 1.00 0.00 C ATOM 0 H ILE A 44 11.995 2.562 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 44 11.755 2.043 0.779 1.00 0.00 H new ATOM 0 HB ILE A 44 13.425 3.569 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.301 5.326 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.572 5.109 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.649 5.796 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.902 4.496 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.965 5.315 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.800 3.967 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.937 2.783 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.693 3.003 2.192 1.00 0.00 H new ATOM 600 N CYS A 45 9.191 2.444 0.872 1.00 0.00 N ATOM 601 CA CYS A 45 7.814 2.920 1.209 1.00 0.00 C ATOM 602 C CYS A 45 7.897 4.197 2.042 1.00 0.00 C ATOM 603 O CYS A 45 7.075 5.083 1.920 1.00 0.00 O ATOM 604 CB CYS A 45 7.054 1.861 1.997 1.00 0.00 C ATOM 605 SG CYS A 45 8.159 0.925 3.078 1.00 0.00 S ATOM 0 H CYS A 45 9.381 1.465 1.085 1.00 0.00 H new ATOM 0 HA CYS A 45 7.284 3.117 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.276 2.338 2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.555 1.181 1.307 1.00 0.00 H new ATOM 610 N ARG A 46 8.878 4.296 2.890 1.00 0.00 N ATOM 611 CA ARG A 46 9.009 5.517 3.732 1.00 0.00 C ATOM 612 C ARG A 46 10.439 5.621 4.258 1.00 0.00 C ATOM 613 O ARG A 46 10.942 4.721 4.902 1.00 0.00 O ATOM 614 CB ARG A 46 8.035 5.429 4.910 1.00 0.00 C ATOM 615 CG ARG A 46 7.154 6.679 4.939 1.00 0.00 C ATOM 616 CD ARG A 46 6.055 6.504 5.989 1.00 0.00 C ATOM 617 NE ARG A 46 5.436 7.825 6.286 1.00 0.00 N ATOM 618 CZ ARG A 46 4.703 8.419 5.385 1.00 0.00 C ATOM 619 NH1 ARG A 46 5.270 9.112 4.435 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.402 8.320 5.435 1.00 0.00 N ATOM 0 H ARG A 46 9.595 3.586 3.038 1.00 0.00 H new ATOM 0 HA ARG A 46 8.778 6.399 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.416 4.537 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.587 5.338 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.757 7.557 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.711 6.847 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.298 5.809 5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.472 6.073 6.899 1.00 0.00 H new ATOM 0 HE ARG A 46 5.585 8.266 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.286 9.189 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.697 9.576 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.960 7.779 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.828 8.784 4.731 1.00 0.00 H new ATOM 634 N ILE A 47 11.101 6.713 3.989 1.00 0.00 N ATOM 635 CA ILE A 47 12.498 6.871 4.476 1.00 0.00 C ATOM 636 C ILE A 47 12.540 6.544 5.973 1.00 0.00 C ATOM 637 O ILE A 47 11.676 6.941 6.729 1.00 0.00 O ATOM 638 CB ILE A 47 12.968 8.315 4.202 1.00 0.00 C ATOM 639 CG1 ILE A 47 14.366 8.279 3.577 1.00 0.00 C ATOM 640 CG2 ILE A 47 13.016 9.142 5.495 1.00 0.00 C ATOM 641 CD1 ILE A 47 15.291 7.428 4.448 1.00 0.00 C ATOM 0 H ILE A 47 10.735 7.500 3.454 1.00 0.00 H new ATOM 0 HA ILE A 47 13.169 6.189 3.954 1.00 0.00 H new ATOM 0 HB ILE A 47 12.257 8.783 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.315 7.866 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.762 9.290 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 47 13.351 10.154 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.022 9.180 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.710 8.680 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.286 7.402 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.350 7.861 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.897 6.414 4.515 1.00 0.00 H new ATOM 653 N ALA A 48 13.533 5.819 6.405 1.00 0.00 N ATOM 654 CA ALA A 48 13.621 5.465 7.848 1.00 0.00 C ATOM 655 C ALA A 48 14.014 6.699 8.662 1.00 0.00 C ATOM 656 O ALA A 48 15.130 7.172 8.591 1.00 0.00 O ATOM 657 CB ALA A 48 14.674 4.373 8.037 1.00 0.00 C ATOM 0 H ALA A 48 14.287 5.457 5.822 1.00 0.00 H new ATOM 0 HA ALA A 48 12.651 5.104 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.741 4.111 9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.391 3.491 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.642 4.737 7.691 1.00 0.00 H new ATOM 663 N ARG A 49 13.104 7.221 9.438 1.00 0.00 N ATOM 664 CA ARG A 49 13.427 8.421 10.260 1.00 0.00 C ATOM 665 C ARG A 49 13.353 8.051 11.744 1.00 0.00 C ATOM 666 O ARG A 49 12.287 7.978 12.323 1.00 0.00 O ATOM 667 CB ARG A 49 12.420 9.538 9.965 1.00 0.00 C ATOM 668 CG ARG A 49 12.167 9.627 8.458 1.00 0.00 C ATOM 669 CD ARG A 49 10.661 9.708 8.201 1.00 0.00 C ATOM 670 NE ARG A 49 10.406 10.501 6.964 1.00 0.00 N ATOM 671 CZ ARG A 49 9.256 10.407 6.355 1.00 0.00 C ATOM 672 NH1 ARG A 49 8.222 9.923 6.985 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.140 10.800 5.115 1.00 0.00 N ATOM 0 H ARG A 49 12.152 6.869 9.538 1.00 0.00 H new ATOM 0 HA ARG A 49 14.431 8.767 10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.484 9.343 10.489 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.801 10.490 10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.665 10.504 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.587 8.756 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.246 8.706 8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.161 10.171 9.052 1.00 0.00 H new ATOM 0 HE ARG A 49 11.130 11.117 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.312 9.618 7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.323 9.850 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.948 11.180 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.241 10.727 4.639 1.00 0.00 H new ATOM 687 N GLY A 50 14.477 7.820 12.367 1.00 0.00 N ATOM 688 CA GLY A 50 14.465 7.458 13.812 1.00 0.00 C ATOM 689 C GLY A 50 15.574 6.449 14.102 1.00 0.00 C ATOM 690 O GLY A 50 16.295 6.562 15.074 1.00 0.00 O ATOM 0 H GLY A 50 15.401 7.866 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.605 8.351 14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.497 7.036 14.083 1.00 0.00 H new ATOM 694 N ASP A 51 15.714 5.463 13.268 1.00 0.00 N ATOM 695 CA ASP A 51 16.778 4.443 13.494 1.00 0.00 C ATOM 696 C ASP A 51 16.602 3.281 12.517 1.00 0.00 C ATOM 697 O ASP A 51 17.525 2.878 11.839 1.00 0.00 O ATOM 698 CB ASP A 51 16.687 3.920 14.929 1.00 0.00 C ATOM 699 CG ASP A 51 18.065 3.998 15.590 1.00 0.00 C ATOM 700 OD1 ASP A 51 19.031 3.618 14.949 1.00 0.00 O ATOM 701 OD2 ASP A 51 18.131 4.438 16.726 1.00 0.00 O ATOM 0 H ASP A 51 15.140 5.316 12.438 1.00 0.00 H new ATOM 0 HA ASP A 51 17.753 4.902 13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.966 4.508 15.497 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.329 2.890 14.930 1.00 0.00 H new ATOM 706 N TRP A 52 15.423 2.740 12.448 1.00 0.00 N ATOM 707 CA TRP A 52 15.177 1.598 11.521 1.00 0.00 C ATOM 708 C TRP A 52 15.813 1.898 10.164 1.00 0.00 C ATOM 709 O TRP A 52 16.250 3.001 9.902 1.00 0.00 O ATOM 710 CB TRP A 52 13.669 1.375 11.344 1.00 0.00 C ATOM 711 CG TRP A 52 12.936 2.673 11.474 1.00 0.00 C ATOM 712 CD1 TRP A 52 12.601 3.484 10.443 1.00 0.00 C ATOM 713 CD2 TRP A 52 12.429 3.316 12.680 1.00 0.00 C ATOM 714 NE1 TRP A 52 11.928 4.585 10.941 1.00 0.00 N ATOM 715 CE2 TRP A 52 11.797 4.526 12.314 1.00 0.00 C ATOM 716 CE3 TRP A 52 12.460 2.968 14.043 1.00 0.00 C ATOM 717 CZ2 TRP A 52 11.215 5.365 13.267 1.00 0.00 C ATOM 718 CZ3 TRP A 52 11.875 3.810 15.004 1.00 0.00 C ATOM 719 CH2 TRP A 52 11.254 5.005 14.616 1.00 0.00 C ATOM 0 H TRP A 52 14.614 3.037 12.994 1.00 0.00 H new ATOM 0 HA TRP A 52 15.621 0.696 11.942 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.471 0.934 10.367 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.308 0.669 12.092 1.00 0.00 H new ATOM 0 HD1 TRP A 52 12.823 3.301 9.402 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.572 5.347 10.364 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.936 2.049 14.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.738 6.285 12.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.904 3.535 16.048 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.806 5.647 15.360 1.00 0.00 H new ATOM 730 N ASN A 53 15.877 0.923 9.299 1.00 0.00 N ATOM 731 CA ASN A 53 16.492 1.156 7.961 1.00 0.00 C ATOM 732 C ASN A 53 15.415 1.595 6.966 1.00 0.00 C ATOM 733 O ASN A 53 14.233 1.482 7.223 1.00 0.00 O ATOM 734 CB ASN A 53 17.145 -0.139 7.471 1.00 0.00 C ATOM 735 CG ASN A 53 18.642 -0.111 7.790 1.00 0.00 C ATOM 736 OD1 ASN A 53 19.179 -1.064 8.320 1.00 0.00 O ATOM 737 ND2 ASN A 53 19.342 0.948 7.488 1.00 0.00 N ATOM 0 H ASN A 53 15.531 -0.023 9.460 1.00 0.00 H new ATOM 0 HA ASN A 53 17.246 1.939 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.677 -0.999 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 53 16.994 -0.251 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 53 20.340 0.976 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 53 18.891 1.748 7.043 1.00 0.00 H new ATOM 744 N ASP A 54 15.820 2.092 5.829 1.00 0.00 N ATOM 745 CA ASP A 54 14.836 2.542 4.801 1.00 0.00 C ATOM 746 C ASP A 54 13.676 1.541 4.722 1.00 0.00 C ATOM 747 O ASP A 54 13.881 0.354 4.566 1.00 0.00 O ATOM 748 CB ASP A 54 15.538 2.614 3.442 1.00 0.00 C ATOM 749 CG ASP A 54 16.590 1.506 3.349 1.00 0.00 C ATOM 750 OD1 ASP A 54 16.406 0.487 3.993 1.00 0.00 O ATOM 751 OD2 ASP A 54 17.561 1.697 2.637 1.00 0.00 O ATOM 0 H ASP A 54 16.799 2.207 5.565 1.00 0.00 H new ATOM 0 HA ASP A 54 14.445 3.523 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.809 2.506 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.009 3.589 3.316 1.00 0.00 H new ATOM 756 N ASP A 55 12.459 2.009 4.826 1.00 0.00 N ATOM 757 CA ASP A 55 11.297 1.076 4.753 1.00 0.00 C ATOM 758 C ASP A 55 11.106 0.613 3.306 1.00 0.00 C ATOM 759 O ASP A 55 10.776 1.391 2.435 1.00 0.00 O ATOM 760 CB ASP A 55 10.031 1.791 5.231 1.00 0.00 C ATOM 761 CG ASP A 55 10.292 2.453 6.584 1.00 0.00 C ATOM 762 OD1 ASP A 55 11.385 2.961 6.774 1.00 0.00 O ATOM 763 OD2 ASP A 55 9.393 2.442 7.408 1.00 0.00 O ATOM 0 H ASP A 55 12.221 2.992 4.958 1.00 0.00 H new ATOM 0 HA ASP A 55 11.486 0.213 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.728 2.541 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.210 1.079 5.316 1.00 0.00 H new ATOM 768 N ARG A 56 11.319 -0.647 3.046 1.00 0.00 N ATOM 769 CA ARG A 56 11.169 -1.177 1.663 1.00 0.00 C ATOM 770 C ARG A 56 9.720 -1.582 1.395 1.00 0.00 C ATOM 771 O ARG A 56 8.956 -1.867 2.296 1.00 0.00 O ATOM 772 CB ARG A 56 12.060 -2.408 1.516 1.00 0.00 C ATOM 773 CG ARG A 56 12.612 -2.469 0.099 1.00 0.00 C ATOM 774 CD ARG A 56 14.140 -2.398 0.143 1.00 0.00 C ATOM 775 NE ARG A 56 14.664 -3.492 1.008 1.00 0.00 N ATOM 776 CZ ARG A 56 15.917 -3.846 0.926 1.00 0.00 C ATOM 777 NH1 ARG A 56 16.841 -2.938 0.762 1.00 0.00 N ATOM 778 NH2 ARG A 56 16.247 -5.105 1.010 1.00 0.00 N ATOM 0 H ARG A 56 11.594 -1.340 3.742 1.00 0.00 H new ATOM 0 HA ARG A 56 11.455 -0.402 0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.878 -2.366 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.490 -3.311 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.294 -3.391 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.216 -1.644 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.548 -2.489 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.459 -1.430 0.530 1.00 0.00 H new ATOM 0 HE ARG A 56 14.043 -3.964 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.583 -1.953 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.821 -3.213 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.525 -5.814 1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.227 -5.381 0.946 1.00 0.00 H new ATOM 792 N CYS A 57 9.354 -1.620 0.145 1.00 0.00 N ATOM 793 CA CYS A 57 7.977 -2.018 -0.238 1.00 0.00 C ATOM 794 C CYS A 57 8.027 -3.441 -0.764 1.00 0.00 C ATOM 795 O CYS A 57 9.065 -3.892 -1.219 1.00 0.00 O ATOM 796 CB CYS A 57 7.470 -1.109 -1.354 1.00 0.00 C ATOM 797 SG CYS A 57 6.077 -0.123 -0.763 1.00 0.00 S ATOM 0 H CYS A 57 9.964 -1.387 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 57 7.315 -1.941 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.272 -0.454 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.164 -1.708 -2.212 1.00 0.00 H new ATOM 802 N THR A 58 6.921 -4.138 -0.716 1.00 0.00 N ATOM 803 CA THR A 58 6.882 -5.539 -1.220 1.00 0.00 C ATOM 804 C THR A 58 6.657 -5.534 -2.732 1.00 0.00 C ATOM 805 O THR A 58 6.951 -6.494 -3.418 1.00 0.00 O ATOM 806 CB THR A 58 5.735 -6.290 -0.540 1.00 0.00 C ATOM 807 OG1 THR A 58 5.099 -5.428 0.393 1.00 0.00 O ATOM 808 CG2 THR A 58 6.283 -7.520 0.185 1.00 0.00 C ATOM 0 H THR A 58 6.036 -3.791 -0.345 1.00 0.00 H new ATOM 0 HA THR A 58 7.828 -6.032 -0.996 1.00 0.00 H new ATOM 0 HB THR A 58 5.013 -6.611 -1.291 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.472 -5.945 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.464 -8.053 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.770 -8.179 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.006 -7.206 0.938 1.00 0.00 H new ATOM 816 N GLY A 59 6.132 -4.463 -3.259 1.00 0.00 N ATOM 817 CA GLY A 59 5.882 -4.401 -4.727 1.00 0.00 C ATOM 818 C GLY A 59 4.455 -4.866 -5.015 1.00 0.00 C ATOM 819 O GLY A 59 3.638 -4.122 -5.519 1.00 0.00 O ATOM 0 H GLY A 59 5.865 -3.628 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.025 -3.383 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.596 -5.032 -5.256 1.00 0.00 H new ATOM 823 N GLN A 60 4.145 -6.092 -4.690 1.00 0.00 N ATOM 824 CA GLN A 60 2.768 -6.602 -4.935 1.00 0.00 C ATOM 825 C GLN A 60 1.855 -6.159 -3.790 1.00 0.00 C ATOM 826 O GLN A 60 0.715 -6.571 -3.696 1.00 0.00 O ATOM 827 CB GLN A 60 2.793 -8.131 -5.004 1.00 0.00 C ATOM 828 CG GLN A 60 3.839 -8.581 -6.026 1.00 0.00 C ATOM 829 CD GLN A 60 4.905 -9.424 -5.326 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.687 -10.583 -5.035 1.00 0.00 O ATOM 831 NE2 GLN A 60 6.060 -8.886 -5.042 1.00 0.00 N ATOM 0 H GLN A 60 4.787 -6.762 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 60 2.394 -6.204 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.026 -8.546 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.810 -8.509 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.364 -9.160 -6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.299 -7.713 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.243 -7.913 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.779 -9.439 -4.576 1.00 0.00 H new ATOM 840 N SER A 61 2.347 -5.325 -2.914 1.00 0.00 N ATOM 841 CA SER A 61 1.506 -4.863 -1.775 1.00 0.00 C ATOM 842 C SER A 61 1.360 -3.340 -1.827 1.00 0.00 C ATOM 843 O SER A 61 2.311 -2.624 -2.072 1.00 0.00 O ATOM 844 CB SER A 61 2.170 -5.264 -0.459 1.00 0.00 C ATOM 845 OG SER A 61 1.806 -6.600 -0.137 1.00 0.00 O ATOM 0 H SER A 61 3.293 -4.945 -2.938 1.00 0.00 H new ATOM 0 HA SER A 61 0.520 -5.323 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.253 -5.181 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.861 -4.588 0.338 1.00 0.00 H new ATOM 0 HG SER A 61 2.232 -6.861 0.706 1.00 0.00 H new ATOM 851 N ALA A 62 0.176 -2.842 -1.594 1.00 0.00 N ATOM 852 CA ALA A 62 -0.032 -1.367 -1.624 1.00 0.00 C ATOM 853 C ALA A 62 0.548 -0.757 -0.349 1.00 0.00 C ATOM 854 O ALA A 62 1.314 0.186 -0.392 1.00 0.00 O ATOM 855 CB ALA A 62 -1.530 -1.063 -1.702 1.00 0.00 C ATOM 0 H ALA A 62 -0.656 -3.393 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 62 0.466 -0.942 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.682 0.016 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.945 -1.506 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.032 -1.482 -0.830 1.00 0.00 H new ATOM 861 N ASP A 63 0.197 -1.296 0.786 1.00 0.00 N ATOM 862 CA ASP A 63 0.739 -0.756 2.061 1.00 0.00 C ATOM 863 C ASP A 63 2.132 -1.341 2.290 1.00 0.00 C ATOM 864 O ASP A 63 2.435 -2.432 1.851 1.00 0.00 O ATOM 865 CB ASP A 63 -0.181 -1.146 3.221 1.00 0.00 C ATOM 866 CG ASP A 63 -1.519 -0.419 3.077 1.00 0.00 C ATOM 867 OD1 ASP A 63 -1.625 0.689 3.576 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.414 -0.983 2.470 1.00 0.00 O ATOM 0 H ASP A 63 -0.441 -2.086 0.884 1.00 0.00 H new ATOM 0 HA ASP A 63 0.797 0.331 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.340 -2.224 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.285 -0.887 4.172 1.00 0.00 H new ATOM 873 N CYS A 64 2.985 -0.624 2.962 1.00 0.00 N ATOM 874 CA CYS A 64 4.359 -1.140 3.204 1.00 0.00 C ATOM 875 C CYS A 64 4.346 -2.093 4.398 1.00 0.00 C ATOM 876 O CYS A 64 3.731 -1.817 5.409 1.00 0.00 O ATOM 877 CB CYS A 64 5.292 0.044 3.431 1.00 0.00 C ATOM 878 SG CYS A 64 6.968 -0.543 3.792 1.00 0.00 S ATOM 0 H CYS A 64 2.791 0.297 3.354 1.00 0.00 H new ATOM 0 HA CYS A 64 4.719 -1.701 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.304 0.682 2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.926 0.652 4.258 1.00 0.00 H new ATOM 883 N PRO A 65 4.991 -3.218 4.213 1.00 0.00 N ATOM 884 CA PRO A 65 5.040 -4.286 5.223 1.00 0.00 C ATOM 885 C PRO A 65 6.042 -4.006 6.351 1.00 0.00 C ATOM 886 O PRO A 65 6.384 -4.899 7.100 1.00 0.00 O ATOM 887 CB PRO A 65 5.488 -5.504 4.416 1.00 0.00 C ATOM 888 CG PRO A 65 6.210 -4.975 3.162 1.00 0.00 C ATOM 889 CD PRO A 65 5.738 -3.531 2.971 1.00 0.00 C ATOM 0 HA PRO A 65 4.081 -4.403 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.153 -6.134 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.631 -6.118 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.292 -5.017 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.968 -5.582 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.580 -2.853 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.103 -3.434 2.091 1.00 0.00 H new ATOM 897 N ARG A 66 6.519 -2.802 6.506 1.00 0.00 N ATOM 898 CA ARG A 66 7.487 -2.562 7.617 1.00 0.00 C ATOM 899 C ARG A 66 7.300 -1.183 8.230 1.00 0.00 C ATOM 900 O ARG A 66 8.261 -0.496 8.514 1.00 0.00 O ATOM 901 CB ARG A 66 8.932 -2.668 7.128 1.00 0.00 C ATOM 902 CG ARG A 66 9.002 -2.518 5.605 1.00 0.00 C ATOM 903 CD ARG A 66 10.316 -3.115 5.100 1.00 0.00 C ATOM 904 NE ARG A 66 11.416 -2.758 6.040 1.00 0.00 N ATOM 905 CZ ARG A 66 11.642 -3.499 7.091 1.00 0.00 C ATOM 906 NH1 ARG A 66 11.901 -4.770 6.951 1.00 0.00 N ATOM 907 NH2 ARG A 66 11.602 -2.969 8.284 1.00 0.00 N ATOM 0 H ARG A 66 6.290 -1.992 5.930 1.00 0.00 H new ATOM 0 HA ARG A 66 7.290 -3.329 8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.539 -1.897 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.351 -3.630 7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.156 -3.023 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.937 -1.466 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.229 -4.199 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.539 -2.738 4.102 1.00 0.00 H new ATOM 0 HE ARG A 66 11.992 -1.935 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.927 -5.186 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.077 -5.348 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.394 -1.977 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.778 -3.548 9.105 1.00 0.00 H new ATOM 921 N ASN A 67 6.095 -0.756 8.464 1.00 0.00 N ATOM 922 CA ASN A 67 5.940 0.581 9.083 1.00 0.00 C ATOM 923 C ASN A 67 5.453 0.502 10.541 1.00 0.00 C ATOM 924 O ASN A 67 4.762 1.401 10.979 1.00 0.00 O ATOM 925 CB ASN A 67 4.957 1.407 8.272 1.00 0.00 C ATOM 926 CG ASN A 67 5.714 2.526 7.553 1.00 0.00 C ATOM 927 OD1 ASN A 67 6.941 2.314 7.159 1.00 0.00 O flip ATOM 928 ND2 ASN A 67 5.187 3.602 7.352 1.00 0.00 N flip ATOM 0 H ASN A 67 5.232 -1.260 8.260 1.00 0.00 H new ATOM 0 HA ASN A 67 6.924 1.050 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.443 0.775 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.193 1.829 8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.229 3.766 7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.703 4.341 6.875 1.00 0.00 H new ATOM 935 N PRO A 68 5.851 -0.510 11.292 1.00 0.00 N ATOM 936 CA PRO A 68 5.467 -0.585 12.703 1.00 0.00 C ATOM 937 C PRO A 68 6.378 0.378 13.457 1.00 0.00 C ATOM 938 O PRO A 68 6.204 0.652 14.627 1.00 0.00 O ATOM 939 CB PRO A 68 5.763 -2.029 13.098 1.00 0.00 C ATOM 940 CG PRO A 68 6.818 -2.536 12.098 1.00 0.00 C ATOM 941 CD PRO A 68 6.700 -1.643 10.853 1.00 0.00 C ATOM 0 HA PRO A 68 4.429 -0.325 12.910 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.136 -2.085 14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.860 -2.638 13.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.819 -2.476 12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.642 -3.581 11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.678 -1.300 10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.246 -2.180 10.020 1.00 0.00 H new ATOM 949 N TRP A 69 7.360 0.892 12.758 1.00 0.00 N ATOM 950 CA TRP A 69 8.319 1.845 13.375 1.00 0.00 C ATOM 951 C TRP A 69 7.844 3.249 13.069 1.00 0.00 C ATOM 952 O TRP A 69 7.546 4.041 13.941 1.00 0.00 O ATOM 953 CB TRP A 69 9.698 1.659 12.731 1.00 0.00 C ATOM 954 CG TRP A 69 9.826 0.270 12.195 1.00 0.00 C ATOM 955 CD1 TRP A 69 9.899 -0.073 10.889 1.00 0.00 C ATOM 956 CD2 TRP A 69 9.877 -0.962 12.942 1.00 0.00 C ATOM 957 NE1 TRP A 69 10.022 -1.449 10.797 1.00 0.00 N ATOM 958 CE2 TRP A 69 10.011 -2.042 12.044 1.00 0.00 C ATOM 959 CE3 TRP A 69 9.828 -1.227 14.307 1.00 0.00 C ATOM 960 CZ2 TRP A 69 10.097 -3.358 12.499 1.00 0.00 C ATOM 961 CZ3 TRP A 69 9.911 -2.547 14.779 1.00 0.00 C ATOM 962 CH2 TRP A 69 10.047 -3.614 13.875 1.00 0.00 C ATOM 0 H TRP A 69 7.535 0.686 11.775 1.00 0.00 H new ATOM 0 HA TRP A 69 8.381 1.674 14.450 1.00 0.00 H new ATOM 0 HB2 TRP A 69 9.834 2.382 11.927 1.00 0.00 H new ATOM 0 HB3 TRP A 69 10.481 1.848 13.466 1.00 0.00 H new ATOM 0 HD1 TRP A 69 9.867 0.613 10.055 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.110 -1.960 9.919 1.00 0.00 H new ATOM 0 HE3 TRP A 69 9.725 -0.412 15.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 10.201 -4.172 11.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 9.870 -2.743 15.840 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.113 -4.628 14.240 1.00 0.00 H new ATOM 973 N ASN A 70 7.779 3.544 11.813 1.00 0.00 N ATOM 974 CA ASN A 70 7.327 4.895 11.374 1.00 0.00 C ATOM 975 C ASN A 70 5.951 5.193 11.973 1.00 0.00 C ATOM 976 O ASN A 70 5.523 6.329 12.035 1.00 0.00 O ATOM 977 CB ASN A 70 7.238 4.935 9.846 1.00 0.00 C ATOM 978 CG ASN A 70 8.400 4.141 9.248 1.00 0.00 C ATOM 979 OD1 ASN A 70 8.538 2.961 9.504 1.00 0.00 O ATOM 980 ND2 ASN A 70 9.250 4.740 8.458 1.00 0.00 N ATOM 0 H ASN A 70 8.021 2.905 11.056 1.00 0.00 H new ATOM 0 HA ASN A 70 8.042 5.644 11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.288 4.515 9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.270 5.967 9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.029 4.218 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.135 5.730 8.242 1.00 0.00 H new ATOM 987 N GLY A 71 5.256 4.183 12.419 1.00 0.00 N ATOM 988 CA GLY A 71 3.911 4.410 13.017 1.00 0.00 C ATOM 989 C GLY A 71 2.847 4.359 11.918 1.00 0.00 C ATOM 990 O GLY A 71 3.115 3.759 10.890 1.00 0.00 O ATOM 991 OXT GLY A 71 1.783 4.919 12.125 1.00 0.00 O ATOM 0 H GLY A 71 5.562 3.210 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.705 3.652 13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.883 5.377 13.520 1.00 0.00 H new TER 995 GLY A 71