USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 529 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 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 44 SER OG : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.125) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0417 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0574 (180deg=-0.375) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.353) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.0031) USER MOD Single : A 13 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.019) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0307 (180deg=-0.292) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -37:sc= -0.227 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 36 CYS SG : rot 159:sc= 0.864 USER MOD Single : A 42 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.033) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -142:sc= 0.743 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0331 (180deg=-0.233) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -91:sc= -0.514 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -26:sc= 0.22 USER MOD Single : A 58 MET CE :methyl -141:sc= -0.406 (180deg=-1.03) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0198 (180deg=-0.205) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.065 -11.155 16.855 1.00 0.00 N ATOM 2 CA MET A 1 -18.850 -9.812 17.451 1.00 0.00 C ATOM 3 C MET A 1 -19.246 -8.711 16.473 1.00 0.00 C ATOM 4 O MET A 1 -20.002 -7.803 16.820 1.00 0.00 O ATOM 5 CB MET A 1 -17.383 -9.636 17.852 1.00 0.00 C ATOM 6 CG MET A 1 -16.882 -10.697 18.819 1.00 0.00 C ATOM 7 SD MET A 1 -15.241 -10.328 19.464 1.00 0.00 S ATOM 8 CE MET A 1 -14.920 -11.796 20.438 1.00 0.00 C ATOM 0 H1 MET A 1 -18.919 -11.885 17.581 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.036 -11.221 16.489 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.391 -11.301 16.077 1.00 0.00 H new ATOM 0 HA MET A 1 -19.479 -9.735 18.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.765 -9.655 16.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.255 -8.654 18.306 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.583 -10.787 19.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.861 -11.663 18.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.937 -11.717 20.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.681 -11.892 21.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.947 -12.674 19.793 1.00 0.00 H new ATOM 20 N THR A 2 -18.732 -8.798 15.249 1.00 0.00 N ATOM 21 CA THR A 2 -19.031 -7.807 14.223 1.00 0.00 C ATOM 22 C THR A 2 -19.520 -8.472 12.940 1.00 0.00 C ATOM 23 O THR A 2 -19.072 -9.563 12.586 1.00 0.00 O ATOM 24 CB THR A 2 -17.797 -6.944 13.901 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.741 -7.770 13.396 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.318 -6.202 15.141 1.00 0.00 C ATOM 0 H THR A 2 -18.107 -9.545 14.945 1.00 0.00 H new ATOM 0 HA THR A 2 -19.820 -7.168 14.621 1.00 0.00 H new ATOM 0 HB THR A 2 -18.079 -6.212 13.145 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.960 -7.214 13.192 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.446 -5.599 14.890 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.114 -5.554 15.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.051 -6.921 15.915 1.00 0.00 H new ATOM 34 N GLU A 3 -20.440 -7.808 12.248 1.00 0.00 N ATOM 35 CA GLU A 3 -20.992 -8.335 11.004 1.00 0.00 C ATOM 36 C GLU A 3 -19.953 -8.295 9.887 1.00 0.00 C ATOM 37 O GLU A 3 -19.418 -9.330 9.488 1.00 0.00 O ATOM 38 CB GLU A 3 -22.232 -7.539 10.595 1.00 0.00 C ATOM 39 CG GLU A 3 -23.320 -7.519 11.656 1.00 0.00 C ATOM 40 CD GLU A 3 -23.855 -8.902 11.970 1.00 0.00 C ATOM 41 OE1 GLU A 3 -23.260 -9.587 12.829 1.00 0.00 O ATOM 42 OE2 GLU A 3 -24.867 -9.300 11.358 1.00 0.00 O ATOM 0 H GLU A 3 -20.820 -6.903 12.527 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.276 -9.374 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.937 -6.514 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.639 -7.963 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.925 -7.071 12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -24.140 -6.885 11.318 1.00 0.00 H new ATOM 49 N THR A 4 -19.674 -7.095 9.386 1.00 0.00 N ATOM 50 CA THR A 4 -18.698 -6.920 8.316 1.00 0.00 C ATOM 51 C THR A 4 -17.885 -5.645 8.515 1.00 0.00 C ATOM 52 O THR A 4 -16.674 -5.698 8.738 1.00 0.00 O ATOM 53 CB THR A 4 -19.377 -6.871 6.932 1.00 0.00 C ATOM 54 OG1 THR A 4 -20.400 -5.868 6.922 1.00 0.00 O ATOM 55 CG2 THR A 4 -19.979 -8.221 6.575 1.00 0.00 C ATOM 0 H THR A 4 -20.110 -6.230 9.704 1.00 0.00 H new ATOM 0 HA THR A 4 -18.033 -7.783 8.355 1.00 0.00 H new ATOM 0 HB THR A 4 -18.619 -6.622 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.825 -5.843 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.452 -8.161 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.193 -8.976 6.553 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.725 -8.496 7.321 1.00 0.00 H new ATOM 63 N ASP A 5 -18.557 -4.502 8.434 1.00 0.00 N ATOM 64 CA ASP A 5 -17.901 -3.210 8.605 1.00 0.00 C ATOM 65 C ASP A 5 -18.291 -2.576 9.936 1.00 0.00 C ATOM 66 O ASP A 5 -19.454 -2.239 10.157 1.00 0.00 O ATOM 67 CB ASP A 5 -18.266 -2.272 7.452 1.00 0.00 C ATOM 68 CG ASP A 5 -17.827 -2.812 6.106 1.00 0.00 C ATOM 69 OD1 ASP A 5 -18.616 -3.546 5.476 1.00 0.00 O ATOM 70 OD2 ASP A 5 -16.695 -2.502 5.683 1.00 0.00 O ATOM 0 H ASP A 5 -19.559 -4.444 8.250 1.00 0.00 H new ATOM 0 HA ASP A 5 -16.823 -3.373 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.345 -2.115 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.803 -1.299 7.618 1.00 0.00 H new ATOM 75 N LYS A 6 -17.311 -2.413 10.820 1.00 0.00 N ATOM 76 CA LYS A 6 -17.552 -1.822 12.132 1.00 0.00 C ATOM 77 C LYS A 6 -16.907 -0.443 12.241 1.00 0.00 C ATOM 78 O LYS A 6 -17.358 0.404 13.010 1.00 0.00 O ATOM 79 CB LYS A 6 -17.012 -2.738 13.234 1.00 0.00 C ATOM 80 CG LYS A 6 -17.259 -2.217 14.641 1.00 0.00 C ATOM 81 CD LYS A 6 -18.744 -2.128 14.953 1.00 0.00 C ATOM 82 CE LYS A 6 -18.989 -1.557 16.341 1.00 0.00 C ATOM 83 NZ LYS A 6 -18.431 -0.183 16.483 1.00 0.00 N ATOM 0 H LYS A 6 -16.342 -2.682 10.651 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.629 -1.708 12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.472 -3.721 13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.940 -2.872 13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.774 -2.874 15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.804 -1.232 14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.236 -1.502 14.209 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.192 -3.119 14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.060 -1.536 16.541 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.538 -2.211 17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.841 0.273 17.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.398 -0.237 16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.664 0.375 15.637 1.00 0.00 H new ATOM 97 N LYS A 7 -15.848 -0.226 11.465 1.00 0.00 N ATOM 98 CA LYS A 7 -15.143 1.049 11.479 1.00 0.00 C ATOM 99 C LYS A 7 -14.333 1.232 10.199 1.00 0.00 C ATOM 100 O LYS A 7 -13.544 0.365 9.825 1.00 0.00 O ATOM 101 CB LYS A 7 -14.227 1.133 12.705 1.00 0.00 C ATOM 102 CG LYS A 7 -13.870 2.554 13.122 1.00 0.00 C ATOM 103 CD LYS A 7 -12.793 3.161 12.233 1.00 0.00 C ATOM 104 CE LYS A 7 -11.448 2.478 12.433 1.00 0.00 C ATOM 105 NZ LYS A 7 -10.393 3.066 11.562 1.00 0.00 N ATOM 0 H LYS A 7 -15.461 -0.916 10.821 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.880 1.850 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.713 0.632 13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.308 0.586 12.496 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.764 3.177 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.526 2.552 14.156 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.093 3.076 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.697 4.225 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.148 2.566 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.545 1.414 12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.456 2.790 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.511 2.717 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.474 4.103 11.570 1.00 0.00 H new ATOM 119 N GLN A 8 -14.540 2.368 9.535 1.00 0.00 N ATOM 120 CA GLN A 8 -13.835 2.681 8.293 1.00 0.00 C ATOM 121 C GLN A 8 -14.156 1.659 7.204 1.00 0.00 C ATOM 122 O GLN A 8 -13.666 0.530 7.231 1.00 0.00 O ATOM 123 CB GLN A 8 -12.325 2.734 8.533 1.00 0.00 C ATOM 124 CG GLN A 8 -11.528 3.142 7.306 1.00 0.00 C ATOM 125 CD GLN A 8 -10.034 3.153 7.561 1.00 0.00 C ATOM 126 OE1 GLN A 8 -9.352 2.148 7.363 1.00 0.00 O ATOM 127 NE2 GLN A 8 -9.518 4.294 8.002 1.00 0.00 N ATOM 0 H GLN A 8 -15.193 3.090 9.838 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.175 3.660 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.118 3.437 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.984 1.754 8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.749 2.455 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.846 4.134 6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.122 5.102 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.518 4.362 8.191 1.00 0.00 H new ATOM 136 N GLU A 9 -14.980 2.070 6.245 1.00 0.00 N ATOM 137 CA GLU A 9 -15.373 1.196 5.145 1.00 0.00 C ATOM 138 C GLU A 9 -14.180 0.875 4.249 1.00 0.00 C ATOM 139 O GLU A 9 -13.423 1.767 3.866 1.00 0.00 O ATOM 140 CB GLU A 9 -16.479 1.853 4.318 1.00 0.00 C ATOM 141 CG GLU A 9 -17.018 0.965 3.207 1.00 0.00 C ATOM 142 CD GLU A 9 -18.081 1.655 2.372 1.00 0.00 C ATOM 143 OE1 GLU A 9 -19.257 1.657 2.791 1.00 0.00 O ATOM 144 OE2 GLU A 9 -17.735 2.192 1.298 1.00 0.00 O ATOM 0 H GLU A 9 -15.389 3.004 6.208 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.746 0.264 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.299 2.131 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.095 2.775 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.196 0.659 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.436 0.058 3.643 1.00 0.00 H new ATOM 151 N GLN A 10 -14.022 -0.403 3.918 1.00 0.00 N ATOM 152 CA GLN A 10 -12.924 -0.839 3.063 1.00 0.00 C ATOM 153 C GLN A 10 -13.421 -1.137 1.652 1.00 0.00 C ATOM 154 O GLN A 10 -14.296 -1.980 1.457 1.00 0.00 O ATOM 155 CB GLN A 10 -12.248 -2.078 3.652 1.00 0.00 C ATOM 156 CG GLN A 10 -11.088 -2.591 2.815 1.00 0.00 C ATOM 157 CD GLN A 10 -10.427 -3.815 3.420 1.00 0.00 C ATOM 158 OE1 GLN A 10 -9.496 -3.701 4.218 1.00 0.00 O ATOM 159 NE2 GLN A 10 -10.902 -4.994 3.038 1.00 0.00 N ATOM 0 H GLN A 10 -14.639 -1.153 4.228 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.195 -0.030 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.887 -1.844 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.989 -2.871 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.446 -2.834 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.347 -1.800 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.675 -5.042 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.494 -5.852 3.408 1.00 0.00 H new ATOM 168 N GLU A 11 -12.857 -0.441 0.671 1.00 0.00 N ATOM 169 CA GLU A 11 -13.244 -0.633 -0.721 1.00 0.00 C ATOM 170 C GLU A 11 -12.768 -1.985 -1.237 1.00 0.00 C ATOM 171 O GLU A 11 -11.566 -2.237 -1.334 1.00 0.00 O ATOM 172 CB GLU A 11 -12.673 0.487 -1.593 1.00 0.00 C ATOM 173 CG GLU A 11 -13.148 1.873 -1.191 1.00 0.00 C ATOM 174 CD GLU A 11 -14.656 2.012 -1.251 1.00 0.00 C ATOM 175 OE1 GLU A 11 -15.184 2.308 -2.344 1.00 0.00 O ATOM 176 OE2 GLU A 11 -15.312 1.826 -0.204 1.00 0.00 O ATOM 0 H GLU A 11 -12.131 0.261 0.814 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.332 -0.606 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.585 0.456 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.949 0.304 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.807 2.091 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.692 2.614 -1.848 1.00 0.00 H new ATOM 183 N ASN A 12 -13.718 -2.854 -1.565 1.00 0.00 N ATOM 184 CA ASN A 12 -13.401 -4.183 -2.073 1.00 0.00 C ATOM 185 C ASN A 12 -14.468 -4.655 -3.052 1.00 0.00 C ATOM 186 O ASN A 12 -15.656 -4.388 -2.868 1.00 0.00 O ATOM 187 CB ASN A 12 -13.272 -5.178 -0.920 1.00 0.00 C ATOM 188 CG ASN A 12 -12.929 -6.575 -1.398 1.00 0.00 C ATOM 189 OD1 ASN A 12 -11.759 -6.944 -1.484 1.00 0.00 O ATOM 190 ND2 ASN A 12 -13.952 -7.360 -1.718 1.00 0.00 N ATOM 0 H ASN A 12 -14.717 -2.661 -1.488 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.448 -4.127 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.501 -4.833 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.208 -5.207 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.782 -8.309 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.907 -7.013 -1.632 1.00 0.00 H new ATOM 197 N HIS A 13 -14.038 -5.359 -4.094 1.00 0.00 N ATOM 198 CA HIS A 13 -14.959 -5.868 -5.104 1.00 0.00 C ATOM 199 C HIS A 13 -14.538 -7.253 -5.584 1.00 0.00 C ATOM 200 O HIS A 13 -15.381 -8.102 -5.869 1.00 0.00 O ATOM 201 CB HIS A 13 -15.036 -4.900 -6.287 1.00 0.00 C ATOM 202 CG HIS A 13 -13.699 -4.549 -6.864 1.00 0.00 C ATOM 203 ND1 HIS A 13 -12.996 -3.417 -6.503 1.00 0.00 N ATOM 204 CD2 HIS A 13 -12.936 -5.184 -7.786 1.00 0.00 C ATOM 205 CE1 HIS A 13 -11.862 -3.372 -7.179 1.00 0.00 C ATOM 206 NE2 HIS A 13 -11.802 -4.432 -7.962 1.00 0.00 N ATOM 0 H HIS A 13 -13.059 -5.590 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 13 -15.946 -5.952 -4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -15.654 -5.343 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -15.535 -3.986 -5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.176 -6.109 -8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.112 -2.599 -7.104 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.036 -4.657 -8.596 1.00 0.00 H new ATOM 215 N ALA A 14 -13.227 -7.475 -5.668 1.00 0.00 N ATOM 216 CA ALA A 14 -12.699 -8.758 -6.116 1.00 0.00 C ATOM 217 C ALA A 14 -11.222 -8.903 -5.760 1.00 0.00 C ATOM 218 O ALA A 14 -10.859 -9.694 -4.888 1.00 0.00 O ATOM 219 CB ALA A 14 -12.898 -8.916 -7.616 1.00 0.00 C ATOM 0 H ALA A 14 -12.515 -6.784 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.248 -9.546 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.499 -9.878 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.962 -8.868 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.376 -8.115 -8.139 1.00 0.00 H new ATOM 225 N GLU A 15 -10.377 -8.136 -6.442 1.00 0.00 N ATOM 226 CA GLU A 15 -8.939 -8.177 -6.202 1.00 0.00 C ATOM 227 C GLU A 15 -8.348 -6.772 -6.214 1.00 0.00 C ATOM 228 O GLU A 15 -9.074 -5.788 -6.355 1.00 0.00 O ATOM 229 CB GLU A 15 -8.247 -9.038 -7.261 1.00 0.00 C ATOM 230 CG GLU A 15 -8.746 -10.473 -7.304 1.00 0.00 C ATOM 231 CD GLU A 15 -8.039 -11.303 -8.357 1.00 0.00 C ATOM 232 OE1 GLU A 15 -8.485 -11.287 -9.524 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.038 -11.969 -8.016 1.00 0.00 O ATOM 0 H GLU A 15 -10.664 -7.478 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.773 -8.617 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.394 -8.582 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.174 -9.041 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.602 -10.933 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.818 -10.476 -7.503 1.00 0.00 H new ATOM 240 N CYS A 16 -7.028 -6.689 -6.067 1.00 0.00 N ATOM 241 CA CYS A 16 -6.331 -5.406 -6.066 1.00 0.00 C ATOM 242 C CYS A 16 -6.863 -4.493 -4.967 1.00 0.00 C ATOM 243 O CYS A 16 -7.881 -3.821 -5.140 1.00 0.00 O ATOM 244 CB CYS A 16 -6.473 -4.721 -7.427 1.00 0.00 C ATOM 245 SG CYS A 16 -5.638 -3.121 -7.541 1.00 0.00 S ATOM 0 H CYS A 16 -6.418 -7.498 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.276 -5.599 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.075 -5.382 -8.197 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.532 -4.582 -7.643 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.814 -2.623 -8.729 1.00 0.00 H new ATOM 251 N GLU A 17 -6.169 -4.472 -3.833 1.00 0.00 N ATOM 252 CA GLU A 17 -6.574 -3.638 -2.707 1.00 0.00 C ATOM 253 C GLU A 17 -5.470 -2.652 -2.343 1.00 0.00 C ATOM 254 O GLU A 17 -4.285 -2.965 -2.455 1.00 0.00 O ATOM 255 CB GLU A 17 -6.919 -4.509 -1.498 1.00 0.00 C ATOM 256 CG GLU A 17 -7.465 -3.722 -0.317 1.00 0.00 C ATOM 257 CD GLU A 17 -7.796 -4.605 0.870 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.942 -5.093 0.943 1.00 0.00 O ATOM 259 OE2 GLU A 17 -6.907 -4.810 1.723 1.00 0.00 O ATOM 0 H GLU A 17 -5.325 -5.022 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.459 -3.074 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.654 -5.256 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.026 -5.049 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.733 -2.973 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.362 -3.185 -0.627 1.00 0.00 H new ATOM 266 N ASP A 18 -5.869 -1.460 -1.906 1.00 0.00 N ATOM 267 CA ASP A 18 -4.918 -0.422 -1.530 1.00 0.00 C ATOM 268 C ASP A 18 -3.981 -0.103 -2.693 1.00 0.00 C ATOM 269 O ASP A 18 -4.293 -0.401 -3.846 1.00 0.00 O ATOM 270 CB ASP A 18 -4.114 -0.865 -0.308 1.00 0.00 C ATOM 271 CG ASP A 18 -4.970 -0.979 0.939 1.00 0.00 C ATOM 272 OD1 ASP A 18 -5.358 0.072 1.490 1.00 0.00 O ATOM 273 OD2 ASP A 18 -5.249 -2.119 1.365 1.00 0.00 O ATOM 0 H ASP A 18 -6.847 -1.190 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.473 0.482 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.647 -1.828 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.309 -0.152 -0.129 1.00 0.00 H new ATOM 278 N LYS A 19 -2.837 0.506 -2.383 1.00 0.00 N ATOM 279 CA LYS A 19 -1.855 0.866 -3.402 1.00 0.00 C ATOM 280 C LYS A 19 -2.448 1.856 -4.407 1.00 0.00 C ATOM 281 O LYS A 19 -3.215 1.469 -5.288 1.00 0.00 O ATOM 282 CB LYS A 19 -1.358 -0.386 -4.132 1.00 0.00 C ATOM 283 CG LYS A 19 -0.611 -1.356 -3.233 1.00 0.00 C ATOM 284 CD LYS A 19 -0.212 -2.617 -3.982 1.00 0.00 C ATOM 285 CE LYS A 19 0.609 -3.548 -3.105 1.00 0.00 C ATOM 286 NZ LYS A 19 1.895 -2.926 -2.687 1.00 0.00 N ATOM 0 H LYS A 19 -2.568 0.760 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.012 1.344 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.210 -0.899 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.704 -0.084 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.280 -0.871 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.238 -1.621 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.107 -3.135 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.363 -2.349 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.031 -3.817 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.812 -4.472 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.537 -3.662 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.332 -2.451 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.716 -2.229 -1.936 1.00 0.00 H new ATOM 300 N PRO A 20 -2.100 3.153 -4.289 1.00 0.00 N ATOM 301 CA PRO A 20 -2.600 4.196 -5.178 1.00 0.00 C ATOM 302 C PRO A 20 -1.656 4.452 -6.344 1.00 0.00 C ATOM 303 O PRO A 20 -1.698 5.515 -6.965 1.00 0.00 O ATOM 304 CB PRO A 20 -2.613 5.400 -4.252 1.00 0.00 C ATOM 305 CG PRO A 20 -1.378 5.220 -3.433 1.00 0.00 C ATOM 306 CD PRO A 20 -1.185 3.726 -3.279 1.00 0.00 C ATOM 0 HA PRO A 20 -3.559 3.949 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.592 6.336 -4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.508 5.419 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.517 5.675 -3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.483 5.701 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.151 3.434 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.437 3.390 -2.273 1.00 0.00 H new ATOM 314 N LYS A 21 -0.804 3.473 -6.632 1.00 0.00 N ATOM 315 CA LYS A 21 0.177 3.605 -7.701 1.00 0.00 C ATOM 316 C LYS A 21 1.121 4.764 -7.392 1.00 0.00 C ATOM 317 O LYS A 21 1.157 5.761 -8.114 1.00 0.00 O ATOM 318 CB LYS A 21 -0.511 3.814 -9.051 1.00 0.00 C ATOM 319 CG LYS A 21 -1.216 2.570 -9.566 1.00 0.00 C ATOM 320 CD LYS A 21 -1.997 2.853 -10.844 1.00 0.00 C ATOM 321 CE LYS A 21 -1.079 3.237 -11.995 1.00 0.00 C ATOM 322 NZ LYS A 21 -1.845 3.611 -13.216 1.00 0.00 N ATOM 0 H LYS A 21 -0.774 2.580 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 21 0.755 2.683 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.236 4.623 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.231 4.132 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.481 1.787 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.895 2.193 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.575 1.971 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.710 3.658 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.448 4.073 -11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.416 2.403 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.183 3.866 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.428 2.806 -13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.459 4.423 -13.005 1.00 0.00 H new ATOM 336 N PRO A 22 1.897 4.642 -6.296 1.00 0.00 N ATOM 337 CA PRO A 22 2.839 5.681 -5.866 1.00 0.00 C ATOM 338 C PRO A 22 3.938 5.928 -6.890 1.00 0.00 C ATOM 339 O PRO A 22 4.755 5.049 -7.161 1.00 0.00 O ATOM 340 CB PRO A 22 3.435 5.118 -4.570 1.00 0.00 C ATOM 341 CG PRO A 22 3.215 3.648 -4.653 1.00 0.00 C ATOM 342 CD PRO A 22 1.925 3.471 -5.402 1.00 0.00 C ATOM 0 HA PRO A 22 2.345 6.644 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.496 5.355 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.945 5.542 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.039 3.158 -5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.155 3.205 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.908 2.536 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.067 3.456 -4.730 1.00 0.00 H new ATOM 350 N CYS A 23 3.949 7.132 -7.453 1.00 0.00 N ATOM 351 CA CYS A 23 4.948 7.506 -8.453 1.00 0.00 C ATOM 352 C CYS A 23 5.033 9.022 -8.608 1.00 0.00 C ATOM 353 O CYS A 23 5.568 9.524 -9.597 1.00 0.00 O ATOM 354 CB CYS A 23 4.616 6.872 -9.807 1.00 0.00 C ATOM 355 SG CYS A 23 5.161 5.156 -9.979 1.00 0.00 S ATOM 0 H CYS A 23 3.277 7.868 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 23 5.914 7.136 -8.108 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.538 6.916 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.075 7.468 -10.596 1.00 0.00 H new ATOM 361 N CYS A 24 4.512 9.744 -7.624 1.00 0.00 N ATOM 362 CA CYS A 24 4.527 11.202 -7.661 1.00 0.00 C ATOM 363 C CYS A 24 5.510 11.769 -6.641 1.00 0.00 C ATOM 364 O CYS A 24 5.632 12.986 -6.493 1.00 0.00 O ATOM 365 CB CYS A 24 3.123 11.749 -7.393 1.00 0.00 C ATOM 366 SG CYS A 24 2.964 13.533 -7.640 1.00 0.00 S ATOM 0 H CYS A 24 4.075 9.346 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 24 4.851 11.511 -8.655 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.415 11.238 -8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.841 11.509 -6.368 1.00 0.00 H new ATOM 0 HG CYS A 24 4.047 14.126 -7.233 1.00 0.00 H new ATOM 372 N VAL A 25 6.215 10.884 -5.939 1.00 0.00 N ATOM 373 CA VAL A 25 7.181 11.311 -4.934 1.00 0.00 C ATOM 374 C VAL A 25 8.199 10.213 -4.630 1.00 0.00 C ATOM 375 O VAL A 25 9.356 10.498 -4.316 1.00 0.00 O ATOM 376 CB VAL A 25 6.475 11.721 -3.626 1.00 0.00 C ATOM 377 CG1 VAL A 25 5.704 10.547 -3.043 1.00 0.00 C ATOM 378 CG2 VAL A 25 7.477 12.265 -2.618 1.00 0.00 C ATOM 0 H VAL A 25 6.135 9.873 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 25 7.706 12.172 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 25 5.764 12.515 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.213 10.856 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.953 10.213 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.392 9.729 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.956 12.548 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.218 11.498 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.976 13.139 -3.036 1.00 0.00 H new ATOM 388 N CYS A 26 7.765 8.960 -4.724 1.00 0.00 N ATOM 389 CA CYS A 26 8.641 7.825 -4.450 1.00 0.00 C ATOM 390 C CYS A 26 9.795 7.769 -5.446 1.00 0.00 C ATOM 391 O CYS A 26 9.614 8.027 -6.637 1.00 0.00 O ATOM 392 CB CYS A 26 7.848 6.518 -4.500 1.00 0.00 C ATOM 393 SG CYS A 26 7.310 6.045 -6.159 1.00 0.00 S ATOM 0 H CYS A 26 6.813 8.705 -4.987 1.00 0.00 H new ATOM 0 HA CYS A 26 9.055 7.955 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.461 5.717 -4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.972 6.612 -3.859 1.00 0.00 H new ATOM 399 N LYS A 27 10.982 7.430 -4.952 1.00 0.00 N ATOM 400 CA LYS A 27 12.167 7.335 -5.799 1.00 0.00 C ATOM 401 C LYS A 27 13.310 6.603 -5.084 1.00 0.00 C ATOM 402 O LYS A 27 13.854 5.638 -5.622 1.00 0.00 O ATOM 403 CB LYS A 27 12.623 8.728 -6.251 1.00 0.00 C ATOM 404 CG LYS A 27 13.879 8.711 -7.109 1.00 0.00 C ATOM 405 CD LYS A 27 14.334 10.117 -7.476 1.00 0.00 C ATOM 406 CE LYS A 27 14.715 10.928 -6.246 1.00 0.00 C ATOM 407 NZ LYS A 27 15.118 12.317 -6.598 1.00 0.00 N ATOM 0 H LYS A 27 11.149 7.216 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 27 11.897 6.753 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.817 9.200 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.803 9.345 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.678 8.199 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.690 8.141 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.188 10.058 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.536 10.628 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.872 10.959 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.535 10.433 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.370 12.835 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.939 12.289 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.327 12.798 -7.072 1.00 0.00 H new ATOM 421 N PRO A 28 13.698 7.040 -3.863 1.00 0.00 N ATOM 422 CA PRO A 28 14.782 6.396 -3.114 1.00 0.00 C ATOM 423 C PRO A 28 14.356 5.065 -2.499 1.00 0.00 C ATOM 424 O PRO A 28 14.989 4.035 -2.728 1.00 0.00 O ATOM 425 CB PRO A 28 15.105 7.412 -2.019 1.00 0.00 C ATOM 426 CG PRO A 28 13.827 8.141 -1.791 1.00 0.00 C ATOM 427 CD PRO A 28 13.125 8.185 -3.122 1.00 0.00 C ATOM 0 HA PRO A 28 15.630 6.152 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.447 6.918 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.898 8.091 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.216 7.632 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.014 9.147 -1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.045 8.087 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.307 9.127 -3.639 1.00 0.00 H new ATOM 435 N GLU A 29 13.277 5.096 -1.722 1.00 0.00 N ATOM 436 CA GLU A 29 12.768 3.895 -1.070 1.00 0.00 C ATOM 437 C GLU A 29 12.342 2.850 -2.096 1.00 0.00 C ATOM 438 O GLU A 29 12.362 1.651 -1.821 1.00 0.00 O ATOM 439 CB GLU A 29 11.586 4.246 -0.165 1.00 0.00 C ATOM 440 CG GLU A 29 11.929 5.257 0.918 1.00 0.00 C ATOM 441 CD GLU A 29 13.019 4.767 1.849 1.00 0.00 C ATOM 442 OE1 GLU A 29 12.707 3.981 2.768 1.00 0.00 O ATOM 443 OE2 GLU A 29 14.188 5.167 1.658 1.00 0.00 O ATOM 0 H GLU A 29 12.739 5.940 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 29 13.572 3.474 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.776 4.642 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.215 3.335 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.247 6.190 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.034 5.480 1.498 1.00 0.00 H new ATOM 450 N LYS A 30 11.957 3.315 -3.281 1.00 0.00 N ATOM 451 CA LYS A 30 11.523 2.424 -4.350 1.00 0.00 C ATOM 452 C LYS A 30 12.682 1.568 -4.855 1.00 0.00 C ATOM 453 O LYS A 30 12.606 0.340 -4.850 1.00 0.00 O ATOM 454 CB LYS A 30 10.934 3.237 -5.505 1.00 0.00 C ATOM 455 CG LYS A 30 10.392 2.385 -6.642 1.00 0.00 C ATOM 456 CD LYS A 30 9.839 3.244 -7.767 1.00 0.00 C ATOM 457 CE LYS A 30 10.943 3.994 -8.496 1.00 0.00 C ATOM 458 NZ LYS A 30 10.398 4.924 -9.523 1.00 0.00 N ATOM 0 H LYS A 30 11.937 4.305 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 30 10.757 1.761 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.132 3.867 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.703 3.903 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.185 1.744 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.608 1.729 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.299 2.614 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.121 3.957 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.537 4.557 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.614 3.279 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.182 5.416 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.853 4.385 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.778 5.622 -9.065 1.00 0.00 H new ATOM 472 N GLU A 31 13.754 2.227 -5.286 1.00 0.00 N ATOM 473 CA GLU A 31 14.928 1.530 -5.801 1.00 0.00 C ATOM 474 C GLU A 31 15.552 0.629 -4.740 1.00 0.00 C ATOM 475 O GLU A 31 15.980 -0.485 -5.036 1.00 0.00 O ATOM 476 CB GLU A 31 15.963 2.540 -6.302 1.00 0.00 C ATOM 477 CG GLU A 31 15.477 3.381 -7.472 1.00 0.00 C ATOM 478 CD GLU A 31 15.174 2.547 -8.702 1.00 0.00 C ATOM 479 OE1 GLU A 31 16.119 2.235 -9.456 1.00 0.00 O ATOM 480 OE2 GLU A 31 13.990 2.208 -8.912 1.00 0.00 O ATOM 0 H GLU A 31 13.834 3.244 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 31 14.605 0.901 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.240 3.201 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.865 2.006 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.580 3.925 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.234 4.125 -7.719 1.00 0.00 H new ATOM 487 N GLU A 32 15.602 1.117 -3.505 1.00 0.00 N ATOM 488 CA GLU A 32 16.181 0.352 -2.405 1.00 0.00 C ATOM 489 C GLU A 32 15.389 -0.925 -2.134 1.00 0.00 C ATOM 490 O GLU A 32 15.968 -1.998 -1.958 1.00 0.00 O ATOM 491 CB GLU A 32 16.240 1.205 -1.136 1.00 0.00 C ATOM 492 CG GLU A 32 17.182 2.393 -1.243 1.00 0.00 C ATOM 493 CD GLU A 32 18.625 1.975 -1.443 1.00 0.00 C ATOM 494 OE1 GLU A 32 19.332 1.782 -0.431 1.00 0.00 O ATOM 495 OE2 GLU A 32 19.050 1.841 -2.610 1.00 0.00 O ATOM 0 H GLU A 32 15.250 2.037 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 32 17.192 0.069 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.238 1.566 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.553 0.578 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.872 3.025 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.104 2.997 -0.339 1.00 0.00 H new ATOM 502 N ARG A 33 14.065 -0.803 -2.102 1.00 0.00 N ATOM 503 CA ARG A 33 13.198 -1.949 -1.843 1.00 0.00 C ATOM 504 C ARG A 33 13.327 -3.000 -2.942 1.00 0.00 C ATOM 505 O ARG A 33 13.550 -4.178 -2.660 1.00 0.00 O ATOM 506 CB ARG A 33 11.740 -1.498 -1.720 1.00 0.00 C ATOM 507 CG ARG A 33 10.782 -2.625 -1.371 1.00 0.00 C ATOM 508 CD ARG A 33 9.366 -2.109 -1.166 1.00 0.00 C ATOM 509 NE ARG A 33 8.846 -1.450 -2.360 1.00 0.00 N ATOM 510 CZ ARG A 33 7.652 -0.868 -2.422 1.00 0.00 C ATOM 511 NH1 ARG A 33 6.856 -0.862 -1.360 1.00 0.00 N ATOM 512 NH2 ARG A 33 7.253 -0.291 -3.547 1.00 0.00 N ATOM 0 H ARG A 33 13.570 0.076 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 33 13.514 -2.399 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.671 -0.724 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.428 -1.045 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.788 -3.369 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.123 -3.126 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.713 -2.939 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.353 -1.409 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 33 9.432 -1.435 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.159 -1.305 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.941 -0.415 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.862 -0.293 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.337 0.155 -3.594 1.00 0.00 H new ATOM 526 N ASP A 34 13.185 -2.570 -4.192 1.00 0.00 N ATOM 527 CA ASP A 34 13.285 -3.480 -5.329 1.00 0.00 C ATOM 528 C ASP A 34 14.630 -4.202 -5.334 1.00 0.00 C ATOM 529 O ASP A 34 14.698 -5.404 -5.592 1.00 0.00 O ATOM 530 CB ASP A 34 13.096 -2.718 -6.643 1.00 0.00 C ATOM 531 CG ASP A 34 11.651 -2.319 -6.876 1.00 0.00 C ATOM 532 OD1 ASP A 34 10.874 -3.163 -7.370 1.00 0.00 O ATOM 533 OD2 ASP A 34 11.296 -1.163 -6.566 1.00 0.00 O ATOM 0 H ASP A 34 13.001 -1.599 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 34 12.494 -4.224 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.720 -1.825 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.437 -3.338 -7.472 1.00 0.00 H new ATOM 538 N THR A 35 15.695 -3.462 -5.043 1.00 0.00 N ATOM 539 CA THR A 35 17.037 -4.032 -5.012 1.00 0.00 C ATOM 540 C THR A 35 17.142 -5.113 -3.941 1.00 0.00 C ATOM 541 O THR A 35 17.724 -6.172 -4.172 1.00 0.00 O ATOM 542 CB THR A 35 18.102 -2.949 -4.750 1.00 0.00 C ATOM 543 OG1 THR A 35 18.074 -1.971 -5.798 1.00 0.00 O ATOM 544 CG2 THR A 35 19.494 -3.559 -4.661 1.00 0.00 C ATOM 0 H THR A 35 15.655 -2.466 -4.825 1.00 0.00 H new ATOM 0 HA THR A 35 17.222 -4.475 -5.991 1.00 0.00 H new ATOM 0 HB THR A 35 17.871 -2.473 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 35 17.493 -1.227 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.225 -2.772 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.523 -4.281 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.732 -4.061 -5.599 1.00 0.00 H new ATOM 552 N CYS A 36 16.571 -4.839 -2.771 1.00 0.00 N ATOM 553 CA CYS A 36 16.601 -5.791 -1.666 1.00 0.00 C ATOM 554 C CYS A 36 15.901 -7.091 -2.045 1.00 0.00 C ATOM 555 O CYS A 36 16.418 -8.181 -1.800 1.00 0.00 O ATOM 556 CB CYS A 36 15.936 -5.188 -0.426 1.00 0.00 C ATOM 557 SG CYS A 36 15.905 -6.294 1.004 1.00 0.00 S ATOM 0 H CYS A 36 16.083 -3.967 -2.565 1.00 0.00 H new ATOM 0 HA CYS A 36 17.645 -6.012 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 36 16.462 -4.273 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.913 -4.906 -0.676 1.00 0.00 H new ATOM 0 HG CYS A 36 15.742 -5.596 2.089 1.00 0.00 H new ATOM 563 N ILE A 37 14.723 -6.967 -2.648 1.00 0.00 N ATOM 564 CA ILE A 37 13.949 -8.131 -3.063 1.00 0.00 C ATOM 565 C ILE A 37 14.596 -8.818 -4.263 1.00 0.00 C ATOM 566 O ILE A 37 14.359 -9.999 -4.518 1.00 0.00 O ATOM 567 CB ILE A 37 12.499 -7.739 -3.418 1.00 0.00 C ATOM 568 CG1 ILE A 37 11.866 -6.953 -2.267 1.00 0.00 C ATOM 569 CG2 ILE A 37 11.674 -8.979 -3.738 1.00 0.00 C ATOM 570 CD1 ILE A 37 10.499 -6.391 -2.594 1.00 0.00 C ATOM 0 H ILE A 37 14.283 -6.071 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 37 13.932 -8.824 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 37 12.517 -7.103 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.783 -7.604 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.529 -6.134 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.654 -8.684 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 37 12.117 -9.502 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.660 -9.640 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.113 -5.847 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.578 -5.714 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.820 -7.207 -2.842 1.00 0.00 H new ATOM 582 N LEU A 38 15.420 -8.073 -4.992 1.00 0.00 N ATOM 583 CA LEU A 38 16.102 -8.610 -6.165 1.00 0.00 C ATOM 584 C LEU A 38 17.235 -9.553 -5.760 1.00 0.00 C ATOM 585 O LEU A 38 17.364 -10.650 -6.304 1.00 0.00 O ATOM 586 CB LEU A 38 16.646 -7.469 -7.032 1.00 0.00 C ATOM 587 CG LEU A 38 17.267 -7.897 -8.366 1.00 0.00 C ATOM 588 CD1 LEU A 38 17.069 -6.815 -9.417 1.00 0.00 C ATOM 589 CD2 LEU A 38 18.748 -8.203 -8.198 1.00 0.00 C ATOM 0 H LEU A 38 15.632 -7.096 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 38 15.377 -9.181 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.834 -6.771 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.397 -6.926 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 38 16.764 -8.804 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.516 -7.136 -10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.003 -6.640 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.546 -5.893 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 38 19.168 -8.505 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 38 19.265 -7.313 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.873 -9.011 -7.477 1.00 0.00 H new ATOM 601 N PHE A 39 18.053 -9.119 -4.806 1.00 0.00 N ATOM 602 CA PHE A 39 19.177 -9.926 -4.336 1.00 0.00 C ATOM 603 C PHE A 39 18.746 -10.902 -3.246 1.00 0.00 C ATOM 604 O PHE A 39 18.924 -12.113 -3.382 1.00 0.00 O ATOM 605 CB PHE A 39 20.298 -9.024 -3.817 1.00 0.00 C ATOM 606 CG PHE A 39 21.032 -8.291 -4.905 1.00 0.00 C ATOM 607 CD1 PHE A 39 22.116 -8.875 -5.541 1.00 0.00 C ATOM 608 CD2 PHE A 39 20.638 -7.020 -5.292 1.00 0.00 C ATOM 609 CE1 PHE A 39 22.792 -8.206 -6.543 1.00 0.00 C ATOM 610 CE2 PHE A 39 21.310 -6.346 -6.295 1.00 0.00 C ATOM 611 CZ PHE A 39 22.389 -6.939 -6.920 1.00 0.00 C ATOM 0 H PHE A 39 17.960 -8.215 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 39 19.545 -10.506 -5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.877 -8.298 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 39 21.009 -9.629 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.436 -9.865 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 39 19.796 -6.551 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 39 23.635 -8.673 -7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.991 -5.357 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 39 22.917 -6.414 -7.702 1.00 0.00 H new ATOM 621 N ASN A 40 18.184 -10.372 -2.164 1.00 0.00 N ATOM 622 CA ASN A 40 17.735 -11.204 -1.052 1.00 0.00 C ATOM 623 C ASN A 40 16.440 -11.931 -1.399 1.00 0.00 C ATOM 624 O ASN A 40 16.407 -13.161 -1.463 1.00 0.00 O ATOM 625 CB ASN A 40 17.534 -10.353 0.203 1.00 0.00 C ATOM 626 CG ASN A 40 18.809 -9.664 0.644 1.00 0.00 C ATOM 627 OD1 ASN A 40 19.093 -8.539 0.235 1.00 0.00 O ATOM 628 ND2 ASN A 40 19.588 -10.339 1.481 1.00 0.00 N ATOM 0 H ASN A 40 18.029 -9.372 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 40 18.507 -11.949 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.767 -9.603 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.167 -10.985 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 40 20.461 -9.927 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 40 19.313 -11.270 1.795 1.00 0.00 H new ATOM 635 N GLY A 41 15.379 -11.164 -1.622 1.00 0.00 N ATOM 636 CA GLY A 41 14.096 -11.752 -1.955 1.00 0.00 C ATOM 637 C GLY A 41 13.016 -11.391 -0.957 1.00 0.00 C ATOM 638 O GLY A 41 13.266 -10.661 0.003 1.00 0.00 O ATOM 0 H GLY A 41 15.385 -10.145 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.794 -11.419 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.197 -12.836 -1.999 1.00 0.00 H new ATOM 642 N GLN A 42 11.812 -11.905 -1.182 1.00 0.00 N ATOM 643 CA GLN A 42 10.687 -11.635 -0.295 1.00 0.00 C ATOM 644 C GLN A 42 10.789 -12.467 0.979 1.00 0.00 C ATOM 645 O GLN A 42 10.006 -12.289 1.912 1.00 0.00 O ATOM 646 CB GLN A 42 9.368 -11.932 -1.009 1.00 0.00 C ATOM 647 CG GLN A 42 9.166 -11.117 -2.276 1.00 0.00 C ATOM 648 CD GLN A 42 7.894 -11.489 -3.018 1.00 0.00 C ATOM 649 OE1 GLN A 42 7.283 -10.654 -3.682 1.00 0.00 O ATOM 650 NE2 GLN A 42 7.491 -12.751 -2.909 1.00 0.00 N ATOM 0 H GLN A 42 11.590 -12.511 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 42 10.714 -10.580 -0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.330 -12.992 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.542 -11.736 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.136 -10.058 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.022 -11.261 -2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.028 -13.411 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.644 -13.059 -3.387 1.00 0.00 H new ATOM 659 N ASP A 43 11.758 -13.377 1.007 1.00 0.00 N ATOM 660 CA ASP A 43 11.965 -14.237 2.168 1.00 0.00 C ATOM 661 C ASP A 43 13.433 -14.251 2.583 1.00 0.00 C ATOM 662 O ASP A 43 14.232 -15.022 2.054 1.00 0.00 O ATOM 663 CB ASP A 43 11.495 -15.661 1.868 1.00 0.00 C ATOM 664 CG ASP A 43 10.020 -15.723 1.527 1.00 0.00 C ATOM 665 OD1 ASP A 43 9.680 -15.585 0.333 1.00 0.00 O ATOM 666 OD2 ASP A 43 9.203 -15.910 2.454 1.00 0.00 O ATOM 0 H ASP A 43 12.411 -13.538 0.240 1.00 0.00 H new ATOM 0 HA ASP A 43 11.377 -13.835 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.074 -16.064 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.692 -16.295 2.732 1.00 0.00 H new ATOM 671 N SER A 44 13.779 -13.385 3.532 1.00 0.00 N ATOM 672 CA SER A 44 15.147 -13.293 4.027 1.00 0.00 C ATOM 673 C SER A 44 15.218 -12.384 5.250 1.00 0.00 C ATOM 674 O SER A 44 15.290 -11.161 5.122 1.00 0.00 O ATOM 675 CB SER A 44 16.078 -12.770 2.931 1.00 0.00 C ATOM 676 OG SER A 44 17.411 -12.670 3.399 1.00 0.00 O ATOM 0 H SER A 44 13.128 -12.736 3.974 1.00 0.00 H new ATOM 0 HA SER A 44 15.471 -14.292 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.041 -13.437 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.734 -11.793 2.593 1.00 0.00 H new ATOM 0 HG SER A 44 18.025 -12.650 2.636 1.00 0.00 H new ATOM 682 N GLU A 45 15.189 -12.992 6.434 1.00 0.00 N ATOM 683 CA GLU A 45 15.247 -12.242 7.686 1.00 0.00 C ATOM 684 C GLU A 45 14.121 -11.213 7.758 1.00 0.00 C ATOM 685 O GLU A 45 14.213 -10.229 8.493 1.00 0.00 O ATOM 686 CB GLU A 45 16.603 -11.546 7.825 1.00 0.00 C ATOM 687 CG GLU A 45 17.775 -12.510 7.913 1.00 0.00 C ATOM 688 CD GLU A 45 19.106 -11.797 8.055 1.00 0.00 C ATOM 689 OE1 GLU A 45 19.449 -11.400 9.188 1.00 0.00 O ATOM 690 OE2 GLU A 45 19.807 -11.639 7.033 1.00 0.00 O ATOM 0 H GLU A 45 15.126 -14.003 6.552 1.00 0.00 H new ATOM 0 HA GLU A 45 15.122 -12.946 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.751 -10.884 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.591 -10.919 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.631 -13.175 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.795 -13.135 7.020 1.00 0.00 H new ATOM 697 N LYS A 46 13.058 -11.454 6.994 1.00 0.00 N ATOM 698 CA LYS A 46 11.909 -10.556 6.963 1.00 0.00 C ATOM 699 C LYS A 46 12.321 -9.161 6.504 1.00 0.00 C ATOM 700 O LYS A 46 12.668 -8.302 7.316 1.00 0.00 O ATOM 701 CB LYS A 46 11.233 -10.484 8.333 1.00 0.00 C ATOM 702 CG LYS A 46 10.401 -11.712 8.671 1.00 0.00 C ATOM 703 CD LYS A 46 11.273 -12.930 8.935 1.00 0.00 C ATOM 704 CE LYS A 46 10.437 -14.148 9.295 1.00 0.00 C ATOM 705 NZ LYS A 46 11.280 -15.357 9.510 1.00 0.00 N ATOM 0 H LYS A 46 12.970 -12.268 6.386 1.00 0.00 H new ATOM 0 HA LYS A 46 11.193 -10.958 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.997 -10.352 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.593 -9.602 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.789 -11.506 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.718 -11.925 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.873 -13.148 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.968 -12.712 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.863 -13.940 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.719 -14.343 8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.672 -16.165 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.809 -15.571 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.949 -15.180 10.287 1.00 0.00 H new ATOM 719 N CYS A 47 12.287 -8.950 5.194 1.00 0.00 N ATOM 720 CA CYS A 47 12.655 -7.664 4.610 1.00 0.00 C ATOM 721 C CYS A 47 11.481 -6.689 4.652 1.00 0.00 C ATOM 722 O CYS A 47 11.464 -5.691 3.931 1.00 0.00 O ATOM 723 CB CYS A 47 13.121 -7.859 3.165 1.00 0.00 C ATOM 724 SG CYS A 47 11.881 -8.608 2.085 1.00 0.00 S ATOM 0 H CYS A 47 12.007 -9.656 4.513 1.00 0.00 H new ATOM 0 HA CYS A 47 13.471 -7.243 5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 47 13.409 -6.892 2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 47 14.014 -8.484 3.164 1.00 0.00 H new ATOM 0 HG CYS A 47 12.463 -9.426 1.258 1.00 0.00 H new ATOM 730 N LYS A 48 10.503 -6.981 5.506 1.00 0.00 N ATOM 731 CA LYS A 48 9.323 -6.133 5.642 1.00 0.00 C ATOM 732 C LYS A 48 9.688 -4.770 6.225 1.00 0.00 C ATOM 733 O LYS A 48 8.872 -3.849 6.226 1.00 0.00 O ATOM 734 CB LYS A 48 8.280 -6.815 6.528 1.00 0.00 C ATOM 735 CG LYS A 48 7.840 -8.178 6.015 1.00 0.00 C ATOM 736 CD LYS A 48 7.079 -8.063 4.703 1.00 0.00 C ATOM 737 CE LYS A 48 6.622 -9.424 4.202 1.00 0.00 C ATOM 738 NZ LYS A 48 7.770 -10.336 3.945 1.00 0.00 N ATOM 0 H LYS A 48 10.505 -7.800 6.115 1.00 0.00 H new ATOM 0 HA LYS A 48 8.904 -5.979 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.688 -6.929 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.407 -6.168 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.714 -8.814 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.210 -8.662 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.213 -7.415 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.715 -7.593 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.957 -9.877 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.046 -9.299 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.443 -11.162 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.499 -9.832 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.172 -10.652 4.851 1.00 0.00 H new ATOM 752 N GLU A 49 10.916 -4.651 6.722 1.00 0.00 N ATOM 753 CA GLU A 49 11.389 -3.400 7.307 1.00 0.00 C ATOM 754 C GLU A 49 11.277 -2.252 6.308 1.00 0.00 C ATOM 755 O GLU A 49 10.860 -1.148 6.661 1.00 0.00 O ATOM 756 CB GLU A 49 12.840 -3.548 7.773 1.00 0.00 C ATOM 757 CG GLU A 49 13.412 -2.283 8.391 1.00 0.00 C ATOM 758 CD GLU A 49 14.864 -2.439 8.799 1.00 0.00 C ATOM 759 OE1 GLU A 49 15.746 -2.257 7.935 1.00 0.00 O ATOM 760 OE2 GLU A 49 15.118 -2.746 9.983 1.00 0.00 O ATOM 0 H GLU A 49 11.602 -5.406 6.731 1.00 0.00 H new ATOM 0 HA GLU A 49 10.759 -3.170 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.898 -4.357 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.458 -3.839 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.325 -1.463 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.820 -2.010 9.265 1.00 0.00 H new ATOM 767 N PHE A 50 11.648 -2.519 5.059 1.00 0.00 N ATOM 768 CA PHE A 50 11.593 -1.507 4.010 1.00 0.00 C ATOM 769 C PHE A 50 10.155 -1.067 3.745 1.00 0.00 C ATOM 770 O PHE A 50 9.877 0.126 3.618 1.00 0.00 O ATOM 771 CB PHE A 50 12.222 -2.043 2.723 1.00 0.00 C ATOM 772 CG PHE A 50 13.685 -2.360 2.854 1.00 0.00 C ATOM 773 CD1 PHE A 50 14.101 -3.567 3.390 1.00 0.00 C ATOM 774 CD2 PHE A 50 14.644 -1.448 2.443 1.00 0.00 C ATOM 775 CE1 PHE A 50 15.447 -3.859 3.513 1.00 0.00 C ATOM 776 CE2 PHE A 50 15.990 -1.734 2.562 1.00 0.00 C ATOM 777 CZ PHE A 50 16.392 -2.943 3.099 1.00 0.00 C ATOM 0 H PHE A 50 11.990 -3.429 4.749 1.00 0.00 H new ATOM 0 HA PHE A 50 12.159 -0.639 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.690 -2.944 2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.088 -1.308 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.366 -4.288 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.335 -0.502 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.758 -4.804 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.727 -1.015 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.444 -3.170 3.194 1.00 0.00 H new ATOM 787 N ILE A 51 9.248 -2.035 3.660 1.00 0.00 N ATOM 788 CA ILE A 51 7.839 -1.746 3.410 1.00 0.00 C ATOM 789 C ILE A 51 7.252 -0.861 4.508 1.00 0.00 C ATOM 790 O ILE A 51 6.724 0.219 4.232 1.00 0.00 O ATOM 791 CB ILE A 51 7.010 -3.043 3.308 1.00 0.00 C ATOM 792 CG1 ILE A 51 7.566 -3.946 2.203 1.00 0.00 C ATOM 793 CG2 ILE A 51 5.546 -2.720 3.047 1.00 0.00 C ATOM 794 CD1 ILE A 51 6.946 -5.328 2.177 1.00 0.00 C ATOM 0 H ILE A 51 9.463 -3.027 3.761 1.00 0.00 H new ATOM 0 HA ILE A 51 7.789 -1.216 2.459 1.00 0.00 H new ATOM 0 HB ILE A 51 7.081 -3.575 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.404 -3.466 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.644 -4.043 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.976 -3.646 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.156 -2.114 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.456 -2.168 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.389 -5.910 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.131 -5.828 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.872 -5.242 2.015 1.00 0.00 H new ATOM 806 N GLU A 52 7.346 -1.328 5.749 1.00 0.00 N ATOM 807 CA GLU A 52 6.824 -0.585 6.893 1.00 0.00 C ATOM 808 C GLU A 52 7.411 0.821 6.945 1.00 0.00 C ATOM 809 O GLU A 52 6.712 1.786 7.253 1.00 0.00 O ATOM 810 CB GLU A 52 7.137 -1.323 8.196 1.00 0.00 C ATOM 811 CG GLU A 52 6.600 -2.742 8.241 1.00 0.00 C ATOM 812 CD GLU A 52 6.939 -3.450 9.539 1.00 0.00 C ATOM 813 OE1 GLU A 52 8.041 -4.030 9.627 1.00 0.00 O ATOM 814 OE2 GLU A 52 6.105 -3.423 10.467 1.00 0.00 O ATOM 0 H GLU A 52 7.780 -2.219 5.989 1.00 0.00 H new ATOM 0 HA GLU A 52 5.743 -0.506 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.217 -1.349 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.720 -0.760 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.518 -2.722 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.009 -3.309 7.404 1.00 0.00 H new ATOM 821 N LYS A 53 8.702 0.928 6.646 1.00 0.00 N ATOM 822 CA LYS A 53 9.387 2.215 6.658 1.00 0.00 C ATOM 823 C LYS A 53 8.779 3.148 5.618 1.00 0.00 C ATOM 824 O LYS A 53 8.583 4.336 5.871 1.00 0.00 O ATOM 825 CB LYS A 53 10.882 2.021 6.386 1.00 0.00 C ATOM 826 CG LYS A 53 11.753 3.171 6.871 1.00 0.00 C ATOM 827 CD LYS A 53 11.752 4.336 5.893 1.00 0.00 C ATOM 828 CE LYS A 53 12.709 5.433 6.332 1.00 0.00 C ATOM 829 NZ LYS A 53 12.728 6.572 5.375 1.00 0.00 N ATOM 0 H LYS A 53 9.295 0.138 6.392 1.00 0.00 H new ATOM 0 HA LYS A 53 9.266 2.665 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.212 1.100 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.032 1.892 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.395 3.512 7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.774 2.818 7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.034 3.981 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.744 4.743 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.419 5.794 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.714 5.021 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.393 7.297 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.029 6.234 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.775 6.982 5.304 1.00 0.00 H new ATOM 843 N TYR A 54 8.479 2.594 4.447 1.00 0.00 N ATOM 844 CA TYR A 54 7.886 3.365 3.362 1.00 0.00 C ATOM 845 C TYR A 54 6.561 3.978 3.805 1.00 0.00 C ATOM 846 O TYR A 54 6.395 5.199 3.786 1.00 0.00 O ATOM 847 CB TYR A 54 7.673 2.472 2.138 1.00 0.00 C ATOM 848 CG TYR A 54 7.130 3.201 0.927 1.00 0.00 C ATOM 849 CD1 TYR A 54 7.973 3.920 0.089 1.00 0.00 C ATOM 850 CD2 TYR A 54 5.776 3.163 0.620 1.00 0.00 C ATOM 851 CE1 TYR A 54 7.482 4.582 -1.020 1.00 0.00 C ATOM 852 CE2 TYR A 54 5.277 3.820 -0.488 1.00 0.00 C ATOM 853 CZ TYR A 54 6.133 4.529 -1.304 1.00 0.00 C ATOM 854 OH TYR A 54 5.641 5.184 -2.409 1.00 0.00 O ATOM 0 H TYR A 54 8.638 1.611 4.226 1.00 0.00 H new ATOM 0 HA TYR A 54 8.568 4.172 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.622 2.006 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.986 1.668 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.030 3.962 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.102 2.611 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.150 5.138 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.222 3.779 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 54 5.378 6.094 -2.159 1.00 0.00 H new ATOM 864 N LYS A 55 5.627 3.123 4.213 1.00 0.00 N ATOM 865 CA LYS A 55 4.315 3.577 4.667 1.00 0.00 C ATOM 866 C LYS A 55 4.451 4.651 5.742 1.00 0.00 C ATOM 867 O LYS A 55 3.734 5.651 5.731 1.00 0.00 O ATOM 868 CB LYS A 55 3.505 2.403 5.222 1.00 0.00 C ATOM 869 CG LYS A 55 3.302 1.269 4.233 1.00 0.00 C ATOM 870 CD LYS A 55 2.447 0.162 4.832 1.00 0.00 C ATOM 871 CE LYS A 55 2.372 -1.047 3.916 1.00 0.00 C ATOM 872 NZ LYS A 55 1.630 -2.175 4.545 1.00 0.00 N ATOM 0 H LYS A 55 5.754 2.111 4.239 1.00 0.00 H new ATOM 0 HA LYS A 55 3.795 4.001 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.009 2.014 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.530 2.768 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.826 1.651 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.270 0.864 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.860 -0.136 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.442 0.539 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.883 -0.766 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.381 -1.373 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.601 -2.981 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.111 -2.460 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.660 -1.873 4.765 1.00 0.00 H new ATOM 886 N GLU A 56 5.382 4.433 6.666 1.00 0.00 N ATOM 887 CA GLU A 56 5.618 5.369 7.759 1.00 0.00 C ATOM 888 C GLU A 56 6.131 6.710 7.241 1.00 0.00 C ATOM 889 O GLU A 56 5.837 7.760 7.814 1.00 0.00 O ATOM 890 CB GLU A 56 6.621 4.773 8.750 1.00 0.00 C ATOM 891 CG GLU A 56 6.892 5.659 9.954 1.00 0.00 C ATOM 892 CD GLU A 56 7.850 5.022 10.942 1.00 0.00 C ATOM 893 OE1 GLU A 56 9.075 5.199 10.780 1.00 0.00 O ATOM 894 OE2 GLU A 56 7.374 4.344 11.877 1.00 0.00 O ATOM 0 H GLU A 56 5.988 3.612 6.679 1.00 0.00 H new ATOM 0 HA GLU A 56 4.668 5.544 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.247 3.809 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.561 4.583 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.304 6.610 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.951 5.880 10.457 1.00 0.00 H new ATOM 901 N CYS A 57 6.894 6.667 6.156 1.00 0.00 N ATOM 902 CA CYS A 57 7.456 7.878 5.566 1.00 0.00 C ATOM 903 C CYS A 57 6.459 8.554 4.628 1.00 0.00 C ATOM 904 O CYS A 57 6.618 9.724 4.282 1.00 0.00 O ATOM 905 CB CYS A 57 8.741 7.544 4.805 1.00 0.00 C ATOM 906 SG CYS A 57 9.558 8.981 4.071 1.00 0.00 S ATOM 0 H CYS A 57 7.139 5.807 5.666 1.00 0.00 H new ATOM 0 HA CYS A 57 7.683 8.571 6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.436 7.052 5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.508 6.829 4.016 1.00 0.00 H new ATOM 0 HG CYS A 57 8.678 9.910 3.842 1.00 0.00 H new ATOM 912 N MET A 58 5.431 7.815 4.222 1.00 0.00 N ATOM 913 CA MET A 58 4.421 8.350 3.314 1.00 0.00 C ATOM 914 C MET A 58 3.332 9.119 4.061 1.00 0.00 C ATOM 915 O MET A 58 3.089 10.292 3.775 1.00 0.00 O ATOM 916 CB MET A 58 3.789 7.224 2.495 1.00 0.00 C ATOM 917 CG MET A 58 4.752 6.566 1.521 1.00 0.00 C ATOM 918 SD MET A 58 5.383 7.715 0.283 1.00 0.00 S ATOM 919 CE MET A 58 3.867 8.178 -0.553 1.00 0.00 C ATOM 0 H MET A 58 5.275 6.848 4.506 1.00 0.00 H new ATOM 0 HA MET A 58 4.926 9.047 2.645 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.399 6.467 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.940 7.622 1.940 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.588 6.140 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.248 5.740 1.020 1.00 0.00 H new ATOM 0 HE1 MET A 58 4.053 8.260 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.106 7.418 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.519 9.137 -0.170 1.00 0.00 H new ATOM 929 N LYS A 59 2.677 8.460 5.014 1.00 0.00 N ATOM 930 CA LYS A 59 1.605 9.095 5.775 1.00 0.00 C ATOM 931 C LYS A 59 2.139 10.220 6.661 1.00 0.00 C ATOM 932 O LYS A 59 1.366 10.985 7.239 1.00 0.00 O ATOM 933 CB LYS A 59 0.853 8.060 6.614 1.00 0.00 C ATOM 934 CG LYS A 59 1.341 7.932 8.050 1.00 0.00 C ATOM 935 CD LYS A 59 2.746 7.356 8.125 1.00 0.00 C ATOM 936 CE LYS A 59 3.200 7.195 9.566 1.00 0.00 C ATOM 937 NZ LYS A 59 3.255 8.499 10.283 1.00 0.00 N ATOM 0 H LYS A 59 2.868 7.493 5.276 1.00 0.00 H new ATOM 0 HA LYS A 59 0.909 9.536 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.205 8.321 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.936 7.088 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.325 8.912 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.657 7.294 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.772 6.389 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.438 8.010 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.519 6.523 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.185 6.729 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.756 8.378 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.759 9.196 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.288 8.835 10.466 1.00 0.00 H new ATOM 951 N GLY A 60 3.461 10.313 6.764 1.00 0.00 N ATOM 952 CA GLY A 60 4.073 11.347 7.581 1.00 0.00 C ATOM 953 C GLY A 60 3.787 12.742 7.061 1.00 0.00 C ATOM 954 O GLY A 60 3.975 13.728 7.774 1.00 0.00 O ATOM 0 H GLY A 60 4.120 9.691 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.707 11.262 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.151 11.189 7.614 1.00 0.00 H new ATOM 958 N TYR A 61 3.337 12.825 5.813 1.00 0.00 N ATOM 959 CA TYR A 61 3.024 14.109 5.196 1.00 0.00 C ATOM 960 C TYR A 61 1.586 14.133 4.692 1.00 0.00 C ATOM 961 O TYR A 61 0.972 15.196 4.586 1.00 0.00 O ATOM 962 CB TYR A 61 3.988 14.391 4.042 1.00 0.00 C ATOM 963 CG TYR A 61 5.432 14.514 4.475 1.00 0.00 C ATOM 964 CD1 TYR A 61 6.235 13.388 4.615 1.00 0.00 C ATOM 965 CD2 TYR A 61 5.990 15.756 4.746 1.00 0.00 C ATOM 966 CE1 TYR A 61 7.554 13.499 5.014 1.00 0.00 C ATOM 967 CE2 TYR A 61 7.308 15.875 5.144 1.00 0.00 C ATOM 968 CZ TYR A 61 8.085 14.744 5.277 1.00 0.00 C ATOM 969 OH TYR A 61 9.397 14.860 5.675 1.00 0.00 O ATOM 0 H TYR A 61 3.181 12.018 5.209 1.00 0.00 H new ATOM 0 HA TYR A 61 3.137 14.886 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.905 13.591 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.687 15.313 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.822 12.412 4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.384 16.644 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.165 12.615 5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.727 16.849 5.350 1.00 0.00 H new ATOM 0 HH TYR A 61 9.613 15.805 5.818 1.00 0.00 H new ATOM 979 N GLY A 62 1.054 12.954 4.386 1.00 0.00 N ATOM 980 CA GLY A 62 -0.309 12.860 3.897 1.00 0.00 C ATOM 981 C GLY A 62 -0.378 12.853 2.383 1.00 0.00 C ATOM 982 O GLY A 62 -1.387 13.249 1.799 1.00 0.00 O ATOM 0 H GLY A 62 1.542 12.062 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.769 11.951 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.889 13.699 4.281 1.00 0.00 H new ATOM 986 N PHE A 63 0.699 12.403 1.748 1.00 0.00 N ATOM 987 CA PHE A 63 0.763 12.345 0.293 1.00 0.00 C ATOM 988 C PHE A 63 0.566 10.913 -0.195 1.00 0.00 C ATOM 989 O PHE A 63 1.255 9.996 0.254 1.00 0.00 O ATOM 990 CB PHE A 63 2.109 12.885 -0.194 1.00 0.00 C ATOM 991 CG PHE A 63 2.101 13.314 -1.634 1.00 0.00 C ATOM 992 CD1 PHE A 63 1.486 14.496 -2.013 1.00 0.00 C ATOM 993 CD2 PHE A 63 2.712 12.538 -2.607 1.00 0.00 C ATOM 994 CE1 PHE A 63 1.478 14.896 -3.335 1.00 0.00 C ATOM 995 CE2 PHE A 63 2.708 12.934 -3.931 1.00 0.00 C ATOM 996 CZ PHE A 63 2.091 14.115 -4.295 1.00 0.00 C ATOM 0 H PHE A 63 1.541 12.073 2.220 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.037 12.963 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.397 13.733 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.870 12.117 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.007 15.112 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.196 11.614 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.993 15.819 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.187 12.321 -4.680 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.088 14.427 -5.329 1.00 0.00 H new ATOM 1006 N GLU A 64 -0.380 10.728 -1.115 1.00 0.00 N ATOM 1007 CA GLU A 64 -0.672 9.405 -1.661 1.00 0.00 C ATOM 1008 C GLU A 64 -1.115 8.450 -0.551 1.00 0.00 C ATOM 1009 O GLU A 64 -1.442 8.885 0.553 1.00 0.00 O ATOM 1010 CB GLU A 64 0.556 8.852 -2.394 1.00 0.00 C ATOM 1011 CG GLU A 64 0.939 9.657 -3.624 1.00 0.00 C ATOM 1012 CD GLU A 64 -0.106 9.578 -4.719 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -1.058 10.387 -4.693 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.026 8.707 -5.605 1.00 0.00 O ATOM 0 H GLU A 64 -0.956 11.478 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.490 9.496 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.401 8.830 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.359 7.822 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.085 10.699 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.892 9.294 -4.009 1.00 0.00 H new ATOM 1021 N VAL A 65 -1.129 7.153 -0.856 1.00 0.00 N ATOM 1022 CA VAL A 65 -1.533 6.132 0.109 1.00 0.00 C ATOM 1023 C VAL A 65 -3.007 6.293 0.498 1.00 0.00 C ATOM 1024 O VAL A 65 -3.360 7.207 1.241 1.00 0.00 O ATOM 1025 CB VAL A 65 -0.665 6.183 1.380 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -1.022 5.043 2.321 1.00 0.00 C ATOM 1027 CG2 VAL A 65 0.812 6.142 1.018 1.00 0.00 C ATOM 0 H VAL A 65 -0.864 6.783 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.393 5.166 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.865 7.122 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.397 5.098 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.071 5.123 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.854 4.090 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.411 6.179 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.029 5.220 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.056 6.997 0.388 1.00 0.00 H new ATOM 1037 N PRO A 66 -3.893 5.401 0.000 1.00 0.00 N ATOM 1038 CA PRO A 66 -5.327 5.456 0.295 1.00 0.00 C ATOM 1039 C PRO A 66 -5.646 4.984 1.709 1.00 0.00 C ATOM 1040 O PRO A 66 -6.679 5.344 2.275 1.00 0.00 O ATOM 1041 CB PRO A 66 -5.955 4.505 -0.742 1.00 0.00 C ATOM 1042 CG PRO A 66 -4.848 4.124 -1.672 1.00 0.00 C ATOM 1043 CD PRO A 66 -3.581 4.273 -0.884 1.00 0.00 C ATOM 0 HA PRO A 66 -5.710 6.475 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.379 3.625 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.766 4.995 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.970 3.100 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.839 4.767 -2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.343 3.370 -0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.725 4.484 -1.526 1.00 0.00 H new ATOM 1051 N SER A 67 -4.755 4.175 2.276 1.00 0.00 N ATOM 1052 CA SER A 67 -4.946 3.653 3.625 1.00 0.00 C ATOM 1053 C SER A 67 -4.333 4.587 4.663 1.00 0.00 C ATOM 1054 O SER A 67 -3.295 5.203 4.422 1.00 0.00 O ATOM 1055 CB SER A 67 -4.326 2.260 3.749 1.00 0.00 C ATOM 1056 OG SER A 67 -2.939 2.290 3.464 1.00 0.00 O ATOM 0 H SER A 67 -3.895 3.867 1.822 1.00 0.00 H new ATOM 0 HA SER A 67 -6.018 3.585 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.485 1.877 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.826 1.574 3.065 1.00 0.00 H new ATOM 0 HG SER A 67 -2.567 1.388 3.552 1.00 0.00 H new ATOM 1062 N ALA A 68 -4.980 4.687 5.820 1.00 0.00 N ATOM 1063 CA ALA A 68 -4.497 5.545 6.896 1.00 0.00 C ATOM 1064 C ALA A 68 -3.820 4.724 7.988 1.00 0.00 C ATOM 1065 O ALA A 68 -3.753 3.497 7.906 1.00 0.00 O ATOM 1066 CB ALA A 68 -5.643 6.359 7.476 1.00 0.00 C ATOM 0 H ALA A 68 -5.841 4.184 6.036 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.757 6.228 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.268 6.995 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.080 6.980 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.403 5.686 7.872 1.00 0.00 H new ATOM 1072 N ASN A 69 -3.321 5.410 9.012 1.00 0.00 N ATOM 1073 CA ASN A 69 -2.649 4.746 10.123 1.00 0.00 C ATOM 1074 C ASN A 69 -3.658 4.278 11.167 1.00 0.00 C ATOM 1075 O ASN A 69 -4.105 3.115 11.077 1.00 0.00 O ATOM 1076 CB ASN A 69 -1.629 5.690 10.766 1.00 0.00 C ATOM 1077 CG ASN A 69 -0.926 5.063 11.954 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -1.394 5.162 13.089 1.00 0.00 O ATOM 1079 ND2 ASN A 69 0.207 4.418 11.702 1.00 0.00 N ATOM 1080 OXT ASN A 69 -3.995 5.079 12.065 1.00 0.00 O ATOM 0 H ASN A 69 -3.370 6.425 9.095 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.128 3.872 9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.888 5.981 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.134 6.602 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.725 3.981 12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.559 4.360 10.746 1.00 0.00 H new TER 1087 ASN A 69 HETATM 1088 CU CU1 A 70 6.567 5.476 -8.227 1.00 0.00 CU