USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 354 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 19 LYS NZ :NH3+ -116:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 43 TYR OH : rot -30:sc= 0.852 USER MOD Set 2.1: A 18 TYR OH : rot 7:sc= 1.35 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 1.08 K(o=2.4,f=-6.3!) USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.1 (180deg=-0.396) USER MOD Single : A 1 SER OG : rot -49:sc= 0.271 USER MOD Single : A 11 MET CE :methyl 147:sc= -3.13! (180deg=-4.13!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.016 (180deg=-0.341) USER MOD Single : A 17 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.89) USER MOD Single : A 20 SER OG : rot -14:sc= -0.0372 USER MOD Single : A 21 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.1!) USER MOD Single : A 24 ASN : amide:sc= -0.155 K(o=-0.16,f=-4.1!) USER MOD Single : A 29 GLN : amide:sc= -3.99! C(o=-4!,f=-5.1!) USER MOD Single : A 40 ASN : amide:sc= -4.5! C(o=-4.5!,f=-15!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.781 -4.733 -2.550 1.00 0.00 N ATOM 2 CA SER A 1 6.878 -3.872 -3.364 1.00 0.00 C ATOM 3 C SER A 1 6.510 -4.601 -4.649 1.00 0.00 C ATOM 4 O SER A 1 6.106 -3.980 -5.632 1.00 0.00 O ATOM 5 CB SER A 1 7.593 -2.564 -3.701 1.00 0.00 C ATOM 6 OG SER A 1 6.641 -1.612 -4.160 1.00 0.00 O ATOM 0 H1 SER A 1 8.195 -4.171 -1.779 1.00 0.00 H new ATOM 0 H2 SER A 1 7.238 -5.524 -2.148 1.00 0.00 H new ATOM 0 H3 SER A 1 8.541 -5.106 -3.153 1.00 0.00 H new ATOM 0 HA SER A 1 5.971 -3.653 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.111 -2.182 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.350 -2.737 -4.466 1.00 0.00 H new ATOM 0 HG SER A 1 6.073 -2.022 -4.845 1.00 0.00 H new ATOM 12 N GLU A 2 6.661 -5.918 -4.641 1.00 0.00 N ATOM 13 CA GLU A 2 6.349 -6.708 -5.821 1.00 0.00 C ATOM 14 C GLU A 2 4.946 -6.347 -6.352 1.00 0.00 C ATOM 15 O GLU A 2 3.949 -6.615 -5.681 1.00 0.00 O ATOM 16 CB GLU A 2 6.404 -8.198 -5.478 1.00 0.00 C ATOM 17 CG GLU A 2 7.864 -8.661 -5.425 1.00 0.00 C ATOM 18 CD GLU A 2 7.936 -10.133 -5.033 1.00 0.00 C ATOM 19 OE1 GLU A 2 7.975 -10.409 -3.846 1.00 0.00 O ATOM 20 OE2 GLU A 2 7.955 -10.963 -5.927 1.00 0.00 O ATOM 0 H GLU A 2 6.994 -6.456 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 2 7.085 -6.488 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.920 -8.378 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.856 -8.774 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.336 -8.512 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.418 -8.058 -4.706 1.00 0.00 H new ATOM 27 N PRO A 3 4.838 -5.744 -7.521 1.00 0.00 N ATOM 28 CA PRO A 3 3.511 -5.355 -8.095 1.00 0.00 C ATOM 29 C PRO A 3 2.749 -6.543 -8.726 1.00 0.00 C ATOM 30 O PRO A 3 1.990 -7.245 -8.058 1.00 0.00 O ATOM 31 CB PRO A 3 3.904 -4.281 -9.135 1.00 0.00 C ATOM 32 CG PRO A 3 5.271 -4.669 -9.610 1.00 0.00 C ATOM 33 CD PRO A 3 5.953 -5.366 -8.426 1.00 0.00 C ATOM 0 HA PRO A 3 2.811 -4.995 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.193 -4.256 -9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.910 -3.286 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.210 -5.335 -10.471 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.837 -3.792 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.514 -6.242 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.660 -4.702 -7.928 1.00 0.00 H new ATOM 41 N ASP A 4 3.018 -6.767 -10.003 1.00 0.00 N ATOM 42 CA ASP A 4 2.451 -7.871 -10.788 1.00 0.00 C ATOM 43 C ASP A 4 3.431 -9.044 -10.762 1.00 0.00 C ATOM 44 O ASP A 4 3.394 -9.897 -11.648 1.00 0.00 O ATOM 45 CB ASP A 4 2.212 -7.414 -12.235 1.00 0.00 C ATOM 46 CG ASP A 4 0.829 -6.779 -12.375 1.00 0.00 C ATOM 47 OD1 ASP A 4 -0.133 -7.401 -11.956 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.754 -5.677 -12.895 1.00 0.00 O ATOM 0 H ASP A 4 3.651 -6.176 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 4 1.497 -8.180 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.979 -6.697 -12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.298 -8.265 -12.910 1.00 0.00 H new ATOM 53 N GLU A 5 4.238 -9.152 -9.714 1.00 0.00 N ATOM 54 CA GLU A 5 5.134 -10.309 -9.568 1.00 0.00 C ATOM 55 C GLU A 5 4.505 -11.306 -8.572 1.00 0.00 C ATOM 56 O GLU A 5 4.414 -12.500 -8.859 1.00 0.00 O ATOM 57 CB GLU A 5 6.535 -9.864 -9.098 1.00 0.00 C ATOM 58 CG GLU A 5 7.614 -10.623 -9.881 1.00 0.00 C ATOM 59 CD GLU A 5 7.444 -12.122 -9.658 1.00 0.00 C ATOM 60 OE1 GLU A 5 7.066 -12.497 -8.560 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.685 -12.873 -10.589 1.00 0.00 O ATOM 0 H GLU A 5 4.296 -8.468 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 5 5.258 -10.797 -10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.654 -8.791 -9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.647 -10.053 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.538 -10.392 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.605 -10.306 -9.556 1.00 0.00 H new ATOM 68 N ILE A 6 4.078 -10.815 -7.408 1.00 0.00 N ATOM 69 CA ILE A 6 3.467 -11.682 -6.388 1.00 0.00 C ATOM 70 C ILE A 6 2.159 -12.280 -6.903 1.00 0.00 C ATOM 71 O ILE A 6 1.858 -13.448 -6.656 1.00 0.00 O ATOM 72 CB ILE A 6 3.198 -10.872 -5.093 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.504 -10.720 -4.278 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.119 -11.553 -4.225 1.00 0.00 C ATOM 75 CD1 ILE A 6 4.764 -11.945 -3.386 1.00 0.00 C ATOM 0 H ILE A 6 4.141 -9.831 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 6 4.160 -12.494 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 6 2.835 -9.886 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.344 -10.581 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.444 -9.825 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.951 -10.963 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.190 -11.625 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.453 -12.553 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.690 -11.800 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.937 -12.069 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.850 -12.836 -4.008 1.00 0.00 H new ATOM 87 N CYS A 7 1.380 -11.465 -7.594 1.00 0.00 N ATOM 88 CA CYS A 7 0.101 -11.932 -8.099 1.00 0.00 C ATOM 89 C CYS A 7 0.283 -13.118 -9.047 1.00 0.00 C ATOM 90 O CYS A 7 -0.503 -14.065 -9.046 1.00 0.00 O ATOM 91 CB CYS A 7 -0.680 -10.795 -8.756 1.00 0.00 C ATOM 92 SG CYS A 7 -2.336 -10.748 -8.066 1.00 0.00 S ATOM 0 H CYS A 7 1.605 -10.495 -7.815 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.489 -12.282 -7.252 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.175 -9.844 -8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.726 -10.944 -9.835 1.00 0.00 H new ATOM 97 N ARG A 8 1.307 -13.014 -9.883 1.00 0.00 N ATOM 98 CA ARG A 8 1.582 -14.034 -10.886 1.00 0.00 C ATOM 99 C ARG A 8 2.017 -15.312 -10.211 1.00 0.00 C ATOM 100 O ARG A 8 1.643 -16.406 -10.634 1.00 0.00 O ATOM 101 CB ARG A 8 2.647 -13.548 -11.862 1.00 0.00 C ATOM 102 CG ARG A 8 2.831 -14.588 -12.968 1.00 0.00 C ATOM 103 CD ARG A 8 3.887 -14.100 -13.955 1.00 0.00 C ATOM 104 NE ARG A 8 5.184 -14.030 -13.298 1.00 0.00 N ATOM 105 CZ ARG A 8 6.248 -13.552 -13.930 1.00 0.00 C ATOM 106 NH1 ARG A 8 7.399 -13.499 -13.318 1.00 0.00 N ATOM 107 NH2 ARG A 8 6.142 -13.135 -15.162 1.00 0.00 N ATOM 0 H ARG A 8 1.962 -12.232 -9.886 1.00 0.00 H new ATOM 0 HA ARG A 8 0.671 -14.231 -11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.353 -12.591 -12.292 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.589 -13.386 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.134 -15.542 -12.538 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.886 -14.757 -13.484 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.938 -14.775 -14.809 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.611 -13.118 -14.340 1.00 0.00 H new ATOM 0 HE ARG A 8 5.276 -14.354 -12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.480 -13.825 -12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.218 -13.132 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.241 -13.177 -15.639 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.960 -12.767 -15.648 1.00 0.00 H new ATOM 121 N ALA A 9 2.841 -15.175 -9.190 1.00 0.00 N ATOM 122 CA ALA A 9 3.378 -16.312 -8.476 1.00 0.00 C ATOM 123 C ALA A 9 2.270 -17.133 -7.843 1.00 0.00 C ATOM 124 O ALA A 9 2.513 -18.240 -7.364 1.00 0.00 O ATOM 125 CB ALA A 9 4.329 -15.783 -7.398 1.00 0.00 C ATOM 0 H ALA A 9 3.155 -14.272 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 9 3.909 -16.965 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.750 -16.620 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.134 -15.218 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.780 -15.134 -6.716 1.00 0.00 H new ATOM 131 N ARG A 10 1.046 -16.586 -7.812 1.00 0.00 N ATOM 132 CA ARG A 10 -0.101 -17.252 -7.208 1.00 0.00 C ATOM 133 C ARG A 10 -1.053 -17.803 -8.272 1.00 0.00 C ATOM 134 O ARG A 10 -1.959 -18.573 -7.948 1.00 0.00 O ATOM 135 CB ARG A 10 -0.853 -16.222 -6.322 1.00 0.00 C ATOM 136 CG ARG A 10 -0.469 -16.403 -4.846 1.00 0.00 C ATOM 137 CD ARG A 10 -1.222 -15.390 -3.988 1.00 0.00 C ATOM 138 NE ARG A 10 -0.861 -15.568 -2.586 1.00 0.00 N ATOM 139 CZ ARG A 10 -1.494 -16.452 -1.816 1.00 0.00 C ATOM 140 NH1 ARG A 10 -1.143 -16.597 -0.568 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.459 -17.179 -2.311 1.00 0.00 N ATOM 0 H ARG A 10 0.831 -15.670 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 10 0.252 -18.093 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.611 -15.210 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.929 -16.347 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.706 -17.416 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.606 -16.271 -4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.982 -14.377 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.297 -15.518 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.110 -15.005 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.385 -16.034 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.627 -17.273 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.729 -17.071 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.943 -17.855 -1.720 1.00 0.00 H new ATOM 155 N MET A 11 -0.875 -17.382 -9.543 1.00 0.00 N ATOM 156 CA MET A 11 -1.750 -17.817 -10.645 1.00 0.00 C ATOM 157 C MET A 11 -0.930 -18.502 -11.719 1.00 0.00 C ATOM 158 O MET A 11 0.250 -18.205 -11.906 1.00 0.00 O ATOM 159 CB MET A 11 -2.467 -16.606 -11.255 1.00 0.00 C ATOM 160 CG MET A 11 -3.602 -16.183 -10.341 1.00 0.00 C ATOM 161 SD MET A 11 -4.522 -14.796 -11.055 1.00 0.00 S ATOM 162 CE MET A 11 -3.491 -13.454 -10.422 1.00 0.00 C ATOM 0 H MET A 11 -0.133 -16.742 -9.828 1.00 0.00 H new ATOM 0 HA MET A 11 -2.487 -18.515 -10.249 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.765 -15.782 -11.388 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.854 -16.857 -12.242 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.275 -17.025 -10.176 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.204 -15.898 -9.367 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.478 -12.635 -11.141 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.897 -13.099 -9.475 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.475 -13.817 -10.268 1.00 0.00 H new ATOM 172 N THR A 12 -1.579 -19.382 -12.448 1.00 0.00 N ATOM 173 CA THR A 12 -0.907 -20.068 -13.534 1.00 0.00 C ATOM 174 C THR A 12 -0.860 -19.155 -14.751 1.00 0.00 C ATOM 175 O THR A 12 -1.787 -18.378 -14.987 1.00 0.00 O ATOM 176 CB THR A 12 -1.651 -21.354 -13.873 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.047 -21.091 -13.914 1.00 0.00 O ATOM 178 CG2 THR A 12 -1.357 -22.404 -12.803 1.00 0.00 C ATOM 0 H THR A 12 -2.557 -19.639 -12.314 1.00 0.00 H new ATOM 0 HA THR A 12 0.110 -20.321 -13.233 1.00 0.00 H new ATOM 0 HB THR A 12 -1.323 -21.725 -14.844 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.529 -21.916 -14.134 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.888 -23.326 -13.042 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.285 -22.600 -12.771 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.688 -22.036 -11.832 1.00 0.00 H new ATOM 186 N HIS A 13 0.216 -19.248 -15.527 1.00 0.00 N ATOM 187 CA HIS A 13 0.350 -18.416 -16.719 1.00 0.00 C ATOM 188 C HIS A 13 -0.972 -18.371 -17.473 1.00 0.00 C ATOM 189 O HIS A 13 -1.369 -17.308 -17.941 1.00 0.00 O ATOM 190 CB HIS A 13 1.463 -18.946 -17.629 1.00 0.00 C ATOM 191 CG HIS A 13 1.573 -18.082 -18.858 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.160 -16.826 -18.831 1.00 0.00 N ATOM 193 CD2 HIS A 13 1.186 -18.287 -20.160 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.111 -16.329 -20.081 1.00 0.00 C ATOM 195 NE2 HIS A 13 1.527 -17.179 -20.930 1.00 0.00 N ATOM 0 H HIS A 13 0.997 -19.881 -15.356 1.00 0.00 H new ATOM 0 HA HIS A 13 0.616 -17.406 -16.408 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.412 -18.953 -17.092 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.251 -19.976 -17.915 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.692 -19.173 -20.530 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.497 -15.361 -20.363 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.366 -17.045 -21.928 1.00 0.00 H new ATOM 203 N LYS A 14 -1.656 -19.499 -17.599 1.00 0.00 N ATOM 204 CA LYS A 14 -2.922 -19.526 -18.317 1.00 0.00 C ATOM 205 C LYS A 14 -3.965 -18.631 -17.652 1.00 0.00 C ATOM 206 O LYS A 14 -4.679 -17.892 -18.329 1.00 0.00 O ATOM 207 CB LYS A 14 -3.398 -20.979 -18.425 1.00 0.00 C ATOM 208 CG LYS A 14 -4.846 -21.033 -18.932 1.00 0.00 C ATOM 209 CD LYS A 14 -5.268 -22.484 -19.166 1.00 0.00 C ATOM 210 CE LYS A 14 -6.689 -22.501 -19.732 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.647 -22.038 -18.687 1.00 0.00 N ATOM 0 H LYS A 14 -1.360 -20.398 -17.218 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.777 -19.125 -19.320 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.748 -21.532 -19.103 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.329 -21.464 -17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.511 -20.565 -18.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.936 -20.466 -19.859 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.580 -22.970 -19.859 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.228 -23.044 -18.232 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.750 -21.856 -20.608 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.950 -23.508 -20.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.613 -22.315 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.402 -22.473 -17.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.594 -21.003 -18.602 1.00 0.00 H new ATOM 225 N GLU A 15 -4.077 -18.719 -16.331 1.00 0.00 N ATOM 226 CA GLU A 15 -5.070 -17.934 -15.620 1.00 0.00 C ATOM 227 C GLU A 15 -4.719 -16.456 -15.648 1.00 0.00 C ATOM 228 O GLU A 15 -5.520 -15.621 -16.069 1.00 0.00 O ATOM 229 CB GLU A 15 -5.138 -18.424 -14.182 1.00 0.00 C ATOM 230 CG GLU A 15 -6.281 -17.722 -13.463 1.00 0.00 C ATOM 231 CD GLU A 15 -6.389 -18.247 -12.040 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.469 -18.924 -11.609 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.388 -17.966 -11.402 1.00 0.00 O ATOM 0 H GLU A 15 -3.500 -19.318 -15.741 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.038 -18.056 -16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.288 -19.503 -14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.195 -18.223 -13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.110 -16.646 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.217 -17.891 -13.995 1.00 0.00 H new ATOM 240 N PHE A 16 -3.509 -16.151 -15.211 1.00 0.00 N ATOM 241 CA PHE A 16 -3.044 -14.775 -15.199 1.00 0.00 C ATOM 242 C PHE A 16 -3.158 -14.147 -16.586 1.00 0.00 C ATOM 243 O PHE A 16 -3.671 -13.038 -16.715 1.00 0.00 O ATOM 244 CB PHE A 16 -1.585 -14.701 -14.744 1.00 0.00 C ATOM 245 CG PHE A 16 -1.130 -13.257 -14.761 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.372 -12.438 -13.654 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.469 -12.737 -15.884 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.956 -11.101 -13.664 1.00 0.00 C ATOM 249 CE2 PHE A 16 -0.053 -11.398 -15.893 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.296 -10.581 -14.783 1.00 0.00 C ATOM 0 H PHE A 16 -2.835 -16.832 -14.862 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.674 -14.225 -14.500 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.483 -15.115 -13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.956 -15.301 -15.402 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.881 -12.837 -12.789 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.281 -13.367 -16.741 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.145 -10.471 -12.808 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.455 -10.997 -16.757 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.026 -9.550 -14.790 1.00 0.00 H new ATOM 260 N ASN A 17 -2.735 -14.861 -17.632 1.00 0.00 N ATOM 261 CA ASN A 17 -2.859 -14.351 -18.997 1.00 0.00 C ATOM 262 C ASN A 17 -4.326 -14.144 -19.378 1.00 0.00 C ATOM 263 O ASN A 17 -4.657 -13.161 -20.040 1.00 0.00 O ATOM 264 CB ASN A 17 -2.180 -15.304 -19.999 1.00 0.00 C ATOM 265 CG ASN A 17 -2.620 -14.996 -21.429 1.00 0.00 C ATOM 266 OD1 ASN A 17 -3.692 -15.427 -21.856 1.00 0.00 O ATOM 267 ND2 ASN A 17 -1.852 -14.277 -22.197 1.00 0.00 N ATOM 0 H ASN A 17 -2.308 -15.785 -17.560 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.356 -13.385 -19.036 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.097 -15.210 -19.919 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.430 -16.336 -19.752 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.138 -14.070 -23.154 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.965 -13.921 -21.841 1.00 0.00 H new ATOM 274 N TYR A 18 -5.196 -15.078 -19.008 1.00 0.00 N ATOM 275 CA TYR A 18 -6.606 -14.999 -19.367 1.00 0.00 C ATOM 276 C TYR A 18 -7.268 -13.749 -18.813 1.00 0.00 C ATOM 277 O TYR A 18 -7.912 -12.972 -19.526 1.00 0.00 O ATOM 278 CB TYR A 18 -7.322 -16.251 -18.846 1.00 0.00 C ATOM 279 CG TYR A 18 -8.811 -16.105 -19.048 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.574 -15.416 -18.102 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.423 -16.648 -20.183 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.951 -15.266 -18.289 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.802 -16.502 -20.370 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.566 -15.808 -19.422 1.00 0.00 C ATOM 285 OH TYR A 18 -12.924 -15.656 -19.606 1.00 0.00 O ATOM 0 H TYR A 18 -4.948 -15.900 -18.458 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.680 -14.944 -20.453 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.959 -17.135 -19.371 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.101 -16.395 -17.788 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.100 -14.999 -17.226 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -8.832 -17.179 -20.914 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.540 -14.731 -17.558 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.277 -16.924 -21.244 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.282 -15.055 -18.920 1.00 0.00 H new ATOM 295 N LYS A 19 -7.104 -13.582 -17.517 1.00 0.00 N ATOM 296 CA LYS A 19 -7.678 -12.464 -16.810 1.00 0.00 C ATOM 297 C LYS A 19 -7.106 -11.148 -17.314 1.00 0.00 C ATOM 298 O LYS A 19 -7.809 -10.145 -17.417 1.00 0.00 O ATOM 299 CB LYS A 19 -7.387 -12.582 -15.316 1.00 0.00 C ATOM 300 CG LYS A 19 -7.836 -13.942 -14.758 1.00 0.00 C ATOM 301 CD LYS A 19 -9.345 -13.946 -14.501 1.00 0.00 C ATOM 302 CE LYS A 19 -9.760 -15.312 -13.949 1.00 0.00 C ATOM 303 NZ LYS A 19 -11.228 -15.315 -13.690 1.00 0.00 N ATOM 0 H LYS A 19 -6.569 -14.219 -16.927 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.754 -12.478 -16.985 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.319 -12.451 -15.141 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.898 -11.782 -14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.579 -14.733 -15.463 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.303 -14.155 -13.831 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.607 -13.160 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.884 -13.735 -15.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.503 -16.097 -14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.217 -15.525 -13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.401 -15.434 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.638 -14.414 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.671 -16.099 -14.210 1.00 0.00 H new ATOM 317 N SER A 20 -5.805 -11.157 -17.598 1.00 0.00 N ATOM 318 CA SER A 20 -5.138 -9.956 -18.067 1.00 0.00 C ATOM 319 C SER A 20 -5.764 -9.428 -19.352 1.00 0.00 C ATOM 320 O SER A 20 -6.023 -8.234 -19.510 1.00 0.00 O ATOM 321 CB SER A 20 -3.637 -10.197 -18.251 1.00 0.00 C ATOM 322 OG SER A 20 -3.448 -11.254 -19.185 1.00 0.00 O ATOM 0 H SER A 20 -5.202 -11.975 -17.511 1.00 0.00 H new ATOM 0 HA SER A 20 -5.270 -9.192 -17.301 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.151 -9.289 -18.607 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.177 -10.452 -17.296 1.00 0.00 H new ATOM 0 HG SER A 20 -4.296 -11.725 -19.322 1.00 0.00 H new ATOM 328 N ASN A 21 -6.059 -10.386 -20.234 1.00 0.00 N ATOM 329 CA ASN A 21 -6.726 -10.088 -21.499 1.00 0.00 C ATOM 330 C ASN A 21 -8.119 -9.506 -21.249 1.00 0.00 C ATOM 331 O ASN A 21 -8.556 -8.606 -21.966 1.00 0.00 O ATOM 332 CB ASN A 21 -6.831 -11.349 -22.381 1.00 0.00 C ATOM 333 CG ASN A 21 -5.549 -11.542 -23.191 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.989 -10.575 -23.705 1.00 0.00 O ATOM 335 ND2 ASN A 21 -5.057 -12.741 -23.344 1.00 0.00 N ATOM 0 H ASN A 21 -5.846 -11.374 -20.094 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.124 -9.348 -22.027 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.009 -12.224 -21.756 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.684 -11.260 -23.054 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.207 -12.877 -23.891 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.523 -13.542 -22.917 1.00 0.00 H new ATOM 342 N VAL A 22 -8.814 -10.009 -20.229 1.00 0.00 N ATOM 343 CA VAL A 22 -10.151 -9.520 -19.900 1.00 0.00 C ATOM 344 C VAL A 22 -10.091 -8.055 -19.486 1.00 0.00 C ATOM 345 O VAL A 22 -10.869 -7.230 -19.967 1.00 0.00 O ATOM 346 CB VAL A 22 -10.741 -10.355 -18.772 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.091 -9.770 -18.349 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.938 -11.791 -19.268 1.00 0.00 C ATOM 0 H VAL A 22 -8.474 -10.752 -19.619 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.786 -9.608 -20.782 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.065 -10.348 -17.917 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.511 -10.370 -17.542 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.952 -8.745 -18.005 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.773 -9.778 -19.199 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.360 -12.398 -18.467 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.617 -11.792 -20.121 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.977 -12.207 -19.570 1.00 0.00 H new ATOM 358 N CYS A 23 -9.152 -7.738 -18.591 1.00 0.00 N ATOM 359 CA CYS A 23 -8.988 -6.367 -18.121 1.00 0.00 C ATOM 360 C CYS A 23 -8.502 -5.491 -19.256 1.00 0.00 C ATOM 361 O CYS A 23 -8.939 -4.347 -19.368 1.00 0.00 O ATOM 362 CB CYS A 23 -7.986 -6.287 -16.960 1.00 0.00 C ATOM 363 SG CYS A 23 -8.761 -6.822 -15.413 1.00 0.00 S ATOM 0 H CYS A 23 -8.501 -8.408 -18.182 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.958 -6.019 -17.765 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.120 -6.914 -17.175 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.622 -5.265 -16.856 1.00 0.00 H new ATOM 368 N ASN A 24 -7.613 -5.970 -20.101 1.00 0.00 N ATOM 369 CA ASN A 24 -7.119 -5.168 -21.191 1.00 0.00 C ATOM 370 C ASN A 24 -8.233 -4.851 -22.164 1.00 0.00 C ATOM 371 O ASN A 24 -8.202 -3.803 -22.805 1.00 0.00 O ATOM 372 CB ASN A 24 -5.981 -5.881 -21.907 1.00 0.00 C ATOM 373 CG ASN A 24 -4.764 -5.951 -20.996 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.659 -5.190 -20.034 1.00 0.00 O ATOM 375 ND2 ASN A 24 -3.837 -6.829 -21.243 1.00 0.00 N ATOM 0 H ASN A 24 -7.221 -6.910 -20.051 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.739 -4.232 -20.781 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.292 -6.886 -22.193 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.729 -5.352 -22.826 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.018 -6.890 -20.638 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.929 -7.457 -22.041 1.00 0.00 H new ATOM 382 N GLY A 25 -9.238 -5.729 -22.293 1.00 0.00 N ATOM 383 CA GLY A 25 -10.327 -5.458 -23.214 1.00 0.00 C ATOM 384 C GLY A 25 -11.379 -4.586 -22.567 1.00 0.00 C ATOM 385 O GLY A 25 -12.462 -4.404 -23.125 1.00 0.00 O ATOM 0 H GLY A 25 -9.311 -6.608 -21.781 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.940 -4.966 -24.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.776 -6.397 -23.538 1.00 0.00 H new ATOM 389 N CYS A 26 -11.120 -4.112 -21.344 1.00 0.00 N ATOM 390 CA CYS A 26 -12.126 -3.349 -20.619 1.00 0.00 C ATOM 391 C CYS A 26 -12.176 -1.895 -21.027 1.00 0.00 C ATOM 392 O CYS A 26 -13.219 -1.265 -20.846 1.00 0.00 O ATOM 393 CB CYS A 26 -11.938 -3.421 -19.102 1.00 0.00 C ATOM 394 SG CYS A 26 -13.387 -2.609 -18.362 1.00 0.00 S ATOM 0 H CYS A 26 -10.238 -4.242 -20.848 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.070 -3.822 -20.889 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.862 -4.456 -18.769 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.017 -2.921 -18.801 1.00 0.00 H new ATOM 399 N GLY A 27 -11.125 -1.337 -21.621 1.00 0.00 N ATOM 400 CA GLY A 27 -11.167 0.044 -22.073 1.00 0.00 C ATOM 401 C GLY A 27 -10.111 0.901 -21.372 1.00 0.00 C ATOM 402 O GLY A 27 -8.925 0.575 -21.399 1.00 0.00 O ATOM 0 H GLY A 27 -10.243 -1.817 -21.798 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.007 0.079 -23.151 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.157 0.459 -21.884 1.00 0.00 H new ATOM 406 N ASP A 28 -10.547 1.988 -20.729 1.00 0.00 N ATOM 407 CA ASP A 28 -9.626 2.874 -20.001 1.00 0.00 C ATOM 408 C ASP A 28 -9.615 2.491 -18.518 1.00 0.00 C ATOM 409 O ASP A 28 -9.067 3.217 -17.689 1.00 0.00 O ATOM 410 CB ASP A 28 -10.075 4.318 -20.181 1.00 0.00 C ATOM 411 CG ASP A 28 -9.844 4.745 -21.626 1.00 0.00 C ATOM 412 OD1 ASP A 28 -9.084 4.074 -22.307 1.00 0.00 O ATOM 413 OD2 ASP A 28 -10.438 5.728 -22.035 1.00 0.00 O ATOM 0 H ASP A 28 -11.525 2.277 -20.696 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.615 2.768 -20.394 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.130 4.417 -19.926 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.521 4.969 -19.505 1.00 0.00 H new ATOM 418 N GLN A 29 -10.193 1.348 -18.190 1.00 0.00 N ATOM 419 CA GLN A 29 -10.213 0.883 -16.801 1.00 0.00 C ATOM 420 C GLN A 29 -9.140 -0.163 -16.599 1.00 0.00 C ATOM 421 O GLN A 29 -9.108 -0.840 -15.574 1.00 0.00 O ATOM 422 CB GLN A 29 -11.577 0.311 -16.429 1.00 0.00 C ATOM 423 CG GLN A 29 -12.673 1.308 -16.801 1.00 0.00 C ATOM 424 CD GLN A 29 -12.862 1.327 -18.313 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.720 0.295 -18.968 1.00 0.00 O ATOM 426 NE2 GLN A 29 -13.176 2.443 -18.910 1.00 0.00 N ATOM 0 H GLN A 29 -10.652 0.725 -18.855 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.018 1.736 -16.151 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.740 -0.633 -16.948 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.613 0.098 -15.361 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.608 1.034 -16.312 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.407 2.304 -16.446 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.293 3.297 -18.365 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.304 2.462 -19.922 1.00 0.00 H new ATOM 435 N VAL A 30 -8.277 -0.313 -17.600 1.00 0.00 N ATOM 436 CA VAL A 30 -7.226 -1.310 -17.524 1.00 0.00 C ATOM 437 C VAL A 30 -6.565 -1.310 -16.167 1.00 0.00 C ATOM 438 O VAL A 30 -6.406 -2.368 -15.560 1.00 0.00 O ATOM 439 CB VAL A 30 -6.148 -1.063 -18.581 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.273 -2.313 -18.740 1.00 0.00 C ATOM 441 CG2 VAL A 30 -6.807 -0.704 -19.907 1.00 0.00 C ATOM 0 H VAL A 30 -8.287 0.237 -18.459 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.701 -2.275 -17.701 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.514 -0.235 -18.264 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.508 -2.128 -19.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.795 -2.546 -17.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.893 -3.154 -19.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.038 -0.528 -20.660 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.448 -1.525 -20.228 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.406 0.198 -19.783 1.00 0.00 H new ATOM 451 N ALA A 31 -6.127 -0.142 -15.683 1.00 0.00 N ATOM 452 CA ALA A 31 -5.446 -0.084 -14.415 1.00 0.00 C ATOM 453 C ALA A 31 -6.358 -0.418 -13.242 1.00 0.00 C ATOM 454 O ALA A 31 -5.952 -1.113 -12.311 1.00 0.00 O ATOM 455 CB ALA A 31 -4.710 1.247 -14.201 1.00 0.00 C ATOM 0 H ALA A 31 -6.237 0.756 -16.154 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.685 -0.864 -14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.214 1.237 -13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.967 1.382 -14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.426 2.068 -14.234 1.00 0.00 H new ATOM 461 N ALA A 32 -7.613 0.069 -13.289 1.00 0.00 N ATOM 462 CA ALA A 32 -8.584 -0.189 -12.233 1.00 0.00 C ATOM 463 C ALA A 32 -8.904 -1.676 -12.182 1.00 0.00 C ATOM 464 O ALA A 32 -9.046 -2.284 -11.120 1.00 0.00 O ATOM 465 CB ALA A 32 -9.883 0.563 -12.549 1.00 0.00 C ATOM 0 H ALA A 32 -7.969 0.643 -14.053 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.169 0.140 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.613 0.374 -11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.680 1.632 -12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.280 0.218 -13.504 1.00 0.00 H new ATOM 471 N CYS A 33 -9.034 -2.218 -13.382 1.00 0.00 N ATOM 472 CA CYS A 33 -9.360 -3.617 -13.541 1.00 0.00 C ATOM 473 C CYS A 33 -8.207 -4.484 -13.056 1.00 0.00 C ATOM 474 O CYS A 33 -8.401 -5.569 -12.503 1.00 0.00 O ATOM 475 CB CYS A 33 -9.688 -3.925 -15.005 1.00 0.00 C ATOM 476 SG CYS A 33 -10.349 -5.605 -15.172 1.00 0.00 S ATOM 0 H CYS A 33 -8.918 -1.707 -14.257 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.240 -3.843 -12.938 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.414 -3.204 -15.380 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.790 -3.819 -15.614 1.00 0.00 H new ATOM 481 N GLU A 34 -6.982 -3.982 -13.271 1.00 0.00 N ATOM 482 CA GLU A 34 -5.771 -4.685 -12.877 1.00 0.00 C ATOM 483 C GLU A 34 -5.453 -4.476 -11.400 1.00 0.00 C ATOM 484 O GLU A 34 -4.586 -5.163 -10.854 1.00 0.00 O ATOM 485 CB GLU A 34 -4.595 -4.204 -13.737 1.00 0.00 C ATOM 486 CG GLU A 34 -4.632 -4.858 -15.118 1.00 0.00 C ATOM 487 CD GLU A 34 -3.489 -4.328 -15.970 1.00 0.00 C ATOM 488 OE1 GLU A 34 -2.704 -3.551 -15.451 1.00 0.00 O ATOM 489 OE2 GLU A 34 -3.411 -4.708 -17.125 1.00 0.00 O ATOM 0 H GLU A 34 -6.812 -3.082 -13.721 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.934 -5.751 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.634 -3.120 -13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.654 -4.443 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.553 -5.941 -15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.586 -4.651 -15.603 1.00 0.00 H new ATOM 496 N ALA A 35 -6.069 -3.479 -10.758 1.00 0.00 N ATOM 497 CA ALA A 35 -5.794 -3.113 -9.372 1.00 0.00 C ATOM 498 C ALA A 35 -5.778 -4.286 -8.429 1.00 0.00 C ATOM 499 O ALA A 35 -4.827 -4.475 -7.668 1.00 0.00 O ATOM 500 CB ALA A 35 -6.921 -2.207 -8.877 1.00 0.00 C ATOM 0 H ALA A 35 -6.783 -2.897 -11.196 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.811 -2.643 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.732 -1.923 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.966 -1.311 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.870 -2.740 -8.940 1.00 0.00 H new ATOM 506 N GLU A 36 -6.873 -5.021 -8.439 1.00 0.00 N ATOM 507 CA GLU A 36 -7.008 -6.138 -7.514 1.00 0.00 C ATOM 508 C GLU A 36 -6.815 -7.473 -8.195 1.00 0.00 C ATOM 509 O GLU A 36 -7.545 -8.419 -7.932 1.00 0.00 O ATOM 510 CB GLU A 36 -8.364 -6.105 -6.812 1.00 0.00 C ATOM 511 CG GLU A 36 -8.459 -4.847 -5.942 1.00 0.00 C ATOM 512 CD GLU A 36 -9.791 -4.819 -5.198 1.00 0.00 C ATOM 513 OE1 GLU A 36 -10.065 -3.820 -4.554 1.00 0.00 O ATOM 514 OE2 GLU A 36 -10.512 -5.797 -5.272 1.00 0.00 O ATOM 0 H GLU A 36 -7.668 -4.873 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.217 -6.025 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.167 -6.112 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.489 -6.996 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.635 -4.827 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.363 -3.957 -6.565 1.00 0.00 H new ATOM 521 N CYS A 37 -5.847 -7.544 -9.106 1.00 0.00 N ATOM 522 CA CYS A 37 -5.611 -8.767 -9.843 1.00 0.00 C ATOM 523 C CYS A 37 -6.904 -9.241 -10.479 1.00 0.00 C ATOM 524 O CYS A 37 -7.220 -10.432 -10.484 1.00 0.00 O ATOM 525 CB CYS A 37 -4.993 -9.845 -8.942 1.00 0.00 C ATOM 526 SG CYS A 37 -3.475 -10.446 -9.679 1.00 0.00 S ATOM 0 H CYS A 37 -5.223 -6.773 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.892 -8.568 -10.637 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.791 -9.434 -7.953 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.695 -10.668 -8.808 1.00 0.00 H new ATOM 531 N PHE A 38 -7.632 -8.303 -11.066 1.00 0.00 N ATOM 532 CA PHE A 38 -8.862 -8.610 -11.756 1.00 0.00 C ATOM 533 C PHE A 38 -9.955 -9.005 -10.774 1.00 0.00 C ATOM 534 O PHE A 38 -11.057 -9.374 -11.181 1.00 0.00 O ATOM 535 CB PHE A 38 -8.624 -9.693 -12.850 1.00 0.00 C ATOM 536 CG PHE A 38 -7.131 -9.816 -13.153 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.417 -8.704 -13.596 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.458 -11.042 -12.957 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.046 -8.811 -13.856 1.00 0.00 C ATOM 540 CE2 PHE A 38 -5.086 -11.140 -13.228 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.382 -10.021 -13.671 1.00 0.00 C ATOM 0 H PHE A 38 -7.383 -7.314 -11.074 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.209 -7.711 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.015 -10.653 -12.513 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.166 -9.429 -13.758 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.922 -7.760 -13.739 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.000 -11.904 -12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.498 -7.947 -14.203 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.575 -12.082 -13.094 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.323 -10.093 -13.870 1.00 0.00 H new ATOM 551 N ARG A 39 -9.662 -8.890 -9.473 1.00 0.00 N ATOM 552 CA ARG A 39 -10.620 -9.198 -8.414 1.00 0.00 C ATOM 553 C ARG A 39 -11.311 -7.903 -7.989 1.00 0.00 C ATOM 554 O ARG A 39 -11.010 -7.318 -6.955 1.00 0.00 O ATOM 555 CB ARG A 39 -9.894 -9.841 -7.233 1.00 0.00 C ATOM 556 CG ARG A 39 -10.898 -10.489 -6.294 1.00 0.00 C ATOM 557 CD ARG A 39 -10.154 -11.136 -5.128 1.00 0.00 C ATOM 558 NE ARG A 39 -11.083 -11.915 -4.327 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.678 -12.585 -3.258 1.00 0.00 C ATOM 560 NH1 ARG A 39 -11.537 -13.278 -2.565 1.00 0.00 N ATOM 561 NH2 ARG A 39 -9.424 -12.549 -2.901 1.00 0.00 N ATOM 0 H ARG A 39 -8.753 -8.581 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.370 -9.902 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.187 -10.588 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.316 -9.088 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.600 -9.743 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.482 -11.238 -6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.356 -11.777 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.683 -10.369 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.067 -11.947 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.517 -13.303 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.229 -13.795 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.754 -12.005 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.113 -13.065 -2.078 1.00 0.00 H new ATOM 575 N ASN A 40 -12.240 -7.484 -8.823 1.00 0.00 N ATOM 576 CA ASN A 40 -12.973 -6.250 -8.552 1.00 0.00 C ATOM 577 C ASN A 40 -14.255 -6.230 -9.351 1.00 0.00 C ATOM 578 O ASN A 40 -14.477 -7.076 -10.222 1.00 0.00 O ATOM 579 CB ASN A 40 -12.069 -5.067 -8.896 1.00 0.00 C ATOM 580 CG ASN A 40 -11.549 -5.187 -10.321 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.236 -5.701 -11.198 1.00 0.00 O ATOM 582 ND2 ASN A 40 -10.358 -4.736 -10.598 1.00 0.00 N ATOM 0 H ASN A 40 -12.507 -7.965 -9.682 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.247 -6.186 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.622 -4.135 -8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.231 -5.028 -8.200 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.993 -4.809 -11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.791 -4.310 -9.865 1.00 0.00 H new ATOM 589 N ASP A 41 -15.129 -5.272 -9.030 1.00 0.00 N ATOM 590 CA ASP A 41 -16.403 -5.197 -9.713 1.00 0.00 C ATOM 591 C ASP A 41 -16.191 -4.759 -11.150 1.00 0.00 C ATOM 592 O ASP A 41 -16.946 -5.187 -12.025 1.00 0.00 O ATOM 593 CB ASP A 41 -17.347 -4.225 -8.989 1.00 0.00 C ATOM 594 CG ASP A 41 -17.434 -4.567 -7.504 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.439 -3.644 -6.703 1.00 0.00 O ATOM 596 OD2 ASP A 41 -17.494 -5.742 -7.188 1.00 0.00 O ATOM 0 H ASP A 41 -14.975 -4.558 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.864 -6.185 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.989 -3.203 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.339 -4.272 -9.437 1.00 0.00 H new ATOM 601 N VAL A 42 -15.175 -3.951 -11.445 1.00 0.00 N ATOM 602 CA VAL A 42 -14.911 -3.542 -12.809 1.00 0.00 C ATOM 603 C VAL A 42 -14.595 -4.770 -13.649 1.00 0.00 C ATOM 604 O VAL A 42 -15.113 -4.927 -14.751 1.00 0.00 O ATOM 605 CB VAL A 42 -13.751 -2.539 -12.865 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.250 -2.396 -14.300 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.211 -1.173 -12.364 1.00 0.00 C ATOM 0 H VAL A 42 -14.527 -3.571 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.796 -3.048 -13.209 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.946 -2.909 -12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.427 -1.682 -14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.904 -3.364 -14.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.061 -2.040 -14.935 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.379 -0.470 -12.409 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.026 -0.811 -12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.557 -1.261 -11.334 1.00 0.00 H new ATOM 617 N TYR A 43 -13.773 -5.658 -13.109 1.00 0.00 N ATOM 618 CA TYR A 43 -13.431 -6.885 -13.800 1.00 0.00 C ATOM 619 C TYR A 43 -14.709 -7.620 -14.138 1.00 0.00 C ATOM 620 O TYR A 43 -14.887 -8.066 -15.267 1.00 0.00 O ATOM 621 CB TYR A 43 -12.551 -7.768 -12.895 1.00 0.00 C ATOM 622 CG TYR A 43 -12.455 -9.176 -13.455 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.606 -9.452 -14.532 1.00 0.00 C ATOM 624 CD2 TYR A 43 -13.227 -10.204 -12.893 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.529 -10.754 -15.045 1.00 0.00 C ATOM 626 CE2 TYR A 43 -13.147 -11.504 -13.407 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.300 -11.778 -14.485 1.00 0.00 C ATOM 628 OH TYR A 43 -12.227 -13.057 -14.998 1.00 0.00 O ATOM 0 H TYR A 43 -13.333 -5.549 -12.195 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.879 -6.655 -14.711 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.554 -7.335 -12.813 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.970 -7.798 -11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.011 -8.663 -14.967 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.884 -9.992 -12.062 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.872 -10.967 -15.875 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.739 -12.295 -12.971 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.020 -13.014 -15.955 1.00 0.00 H new ATOM 638 N THR A 44 -15.596 -7.763 -13.167 1.00 0.00 N ATOM 639 CA THR A 44 -16.832 -8.473 -13.424 1.00 0.00 C ATOM 640 C THR A 44 -17.619 -7.826 -14.572 1.00 0.00 C ATOM 641 O THR A 44 -17.990 -8.482 -15.529 1.00 0.00 O ATOM 642 CB THR A 44 -17.678 -8.568 -12.153 1.00 0.00 C ATOM 643 OG1 THR A 44 -17.003 -9.393 -11.209 1.00 0.00 O ATOM 644 CG2 THR A 44 -19.040 -9.173 -12.492 1.00 0.00 C ATOM 0 H THR A 44 -15.486 -7.406 -12.218 1.00 0.00 H new ATOM 0 HA THR A 44 -16.579 -9.487 -13.735 1.00 0.00 H new ATOM 0 HB THR A 44 -17.826 -7.575 -11.729 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.538 -9.458 -10.390 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.643 -9.241 -11.587 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.548 -8.541 -13.220 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.901 -10.170 -12.911 1.00 0.00 H new ATOM 652 N ALA A 45 -17.811 -6.517 -14.483 1.00 0.00 N ATOM 653 CA ALA A 45 -18.494 -5.684 -15.472 1.00 0.00 C ATOM 654 C ALA A 45 -17.850 -5.840 -16.850 1.00 0.00 C ATOM 655 O ALA A 45 -18.529 -6.007 -17.867 1.00 0.00 O ATOM 656 CB ALA A 45 -18.275 -4.277 -14.932 1.00 0.00 C ATOM 0 H ALA A 45 -17.480 -5.978 -13.682 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.545 -5.941 -15.604 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.748 -3.554 -15.597 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.714 -4.196 -13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.206 -4.072 -14.874 1.00 0.00 H new ATOM 662 N CYS A 46 -16.514 -5.789 -16.858 1.00 0.00 N ATOM 663 CA CYS A 46 -15.772 -5.931 -18.101 1.00 0.00 C ATOM 664 C CYS A 46 -15.893 -7.361 -18.628 1.00 0.00 C ATOM 665 O CYS A 46 -16.106 -7.592 -19.823 1.00 0.00 O ATOM 666 CB CYS A 46 -14.303 -5.509 -17.905 1.00 0.00 C ATOM 667 SG CYS A 46 -14.259 -3.901 -17.085 1.00 0.00 S ATOM 0 H CYS A 46 -15.937 -5.652 -16.028 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.201 -5.267 -18.851 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.774 -6.251 -17.307 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.795 -5.455 -18.868 1.00 0.00 H new ATOM 672 N HIS A 47 -15.753 -8.326 -17.716 1.00 0.00 N ATOM 673 CA HIS A 47 -15.831 -9.731 -18.087 1.00 0.00 C ATOM 674 C HIS A 47 -17.237 -10.091 -18.544 1.00 0.00 C ATOM 675 O HIS A 47 -17.412 -10.797 -19.537 1.00 0.00 O ATOM 676 CB HIS A 47 -15.430 -10.606 -16.898 1.00 0.00 C ATOM 677 CG HIS A 47 -15.263 -12.029 -17.350 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.887 -13.088 -16.712 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.543 -12.582 -18.379 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.535 -14.215 -17.359 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.716 -13.962 -18.383 1.00 0.00 N ATOM 0 H HIS A 47 -15.586 -8.157 -16.724 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.144 -9.908 -18.914 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.500 -10.241 -16.463 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.190 -10.549 -16.119 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -16.501 -13.026 -15.900 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.934 -12.029 -19.079 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.874 -15.203 -17.084 1.00 0.00 H new ATOM 689 N GLU A 48 -18.241 -9.604 -17.824 1.00 0.00 N ATOM 690 CA GLU A 48 -19.626 -9.878 -18.162 1.00 0.00 C ATOM 691 C GLU A 48 -20.010 -9.179 -19.456 1.00 0.00 C ATOM 692 O GLU A 48 -20.919 -9.612 -20.165 1.00 0.00 O ATOM 693 CB GLU A 48 -20.544 -9.438 -17.021 1.00 0.00 C ATOM 694 CG GLU A 48 -20.188 -10.216 -15.737 1.00 0.00 C ATOM 695 CD GLU A 48 -20.822 -11.605 -15.742 1.00 0.00 C ATOM 696 OE1 GLU A 48 -20.348 -12.446 -14.996 1.00 0.00 O ATOM 697 OE2 GLU A 48 -21.767 -11.810 -16.485 1.00 0.00 O ATOM 0 H GLU A 48 -18.117 -9.016 -17.000 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.742 -10.952 -18.308 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.439 -8.367 -16.849 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.585 -9.617 -17.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.105 -10.307 -15.652 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.530 -9.660 -14.864 1.00 0.00 H new ATOM 704 N ALA A 49 -19.324 -8.072 -19.746 1.00 0.00 N ATOM 705 CA ALA A 49 -19.607 -7.286 -20.935 1.00 0.00 C ATOM 706 C ALA A 49 -19.012 -7.947 -22.163 1.00 0.00 C ATOM 707 O ALA A 49 -19.482 -7.728 -23.280 1.00 0.00 O ATOM 708 CB ALA A 49 -19.022 -5.881 -20.781 1.00 0.00 C ATOM 0 H ALA A 49 -18.568 -7.704 -19.169 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.688 -7.221 -21.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.238 -5.297 -21.676 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.468 -5.394 -19.914 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.943 -5.949 -20.644 1.00 0.00 H new ATOM 714 N GLN A 50 -17.983 -8.774 -21.962 1.00 0.00 N ATOM 715 CA GLN A 50 -17.364 -9.473 -23.089 1.00 0.00 C ATOM 716 C GLN A 50 -18.037 -10.826 -23.282 1.00 0.00 C ATOM 717 O GLN A 50 -18.257 -11.571 -22.326 1.00 0.00 O ATOM 718 CB GLN A 50 -15.861 -9.628 -22.851 1.00 0.00 C ATOM 719 CG GLN A 50 -15.192 -8.254 -22.874 1.00 0.00 C ATOM 720 CD GLN A 50 -13.714 -8.396 -22.536 1.00 0.00 C ATOM 721 OE1 GLN A 50 -13.216 -9.512 -22.387 1.00 0.00 O ATOM 722 NE2 GLN A 50 -12.980 -7.327 -22.397 1.00 0.00 N ATOM 0 H GLN A 50 -17.569 -8.973 -21.051 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.498 -8.889 -24.000 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.683 -10.114 -21.892 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.426 -10.268 -23.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.308 -7.799 -23.858 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -15.677 -7.591 -22.157 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.395 -6.404 -22.521 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.991 -7.414 -22.164 1.00 0.00 H new ATOM 731 N LYS A 51 -18.339 -11.142 -24.540 1.00 0.00 N ATOM 732 CA LYS A 51 -18.964 -12.414 -24.880 1.00 0.00 C ATOM 733 C LYS A 51 -18.069 -13.569 -24.443 1.00 0.00 C ATOM 734 O LYS A 51 -18.458 -14.288 -23.539 1.00 0.00 O ATOM 735 CB LYS A 51 -19.196 -12.496 -26.393 1.00 0.00 C ATOM 736 CG LYS A 51 -19.938 -13.793 -26.730 1.00 0.00 C ATOM 737 CD LYS A 51 -20.224 -13.848 -28.233 1.00 0.00 C ATOM 738 CE LYS A 51 -20.982 -15.137 -28.560 1.00 0.00 C ATOM 739 NZ LYS A 51 -21.275 -15.184 -30.021 1.00 0.00 N ATOM 0 H LYS A 51 -18.160 -10.533 -25.339 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.921 -12.483 -24.363 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.775 -11.636 -26.729 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.242 -12.464 -26.920 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.339 -14.654 -26.432 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.872 -13.845 -26.170 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.812 -12.981 -28.534 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.290 -13.810 -28.794 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.389 -16.004 -28.269 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.910 -15.180 -27.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.790 -16.060 -30.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.857 -14.363 -30.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.383 -15.162 -30.555 1.00 0.00 H new TER 753 LYS A 51