USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 Single : A 7 SER OG : rot -123:sc= -0.672 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.9! C(o=-1.9!,f=-5.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0974) USER MOD Single : A 26 GLN : amide:sc= -0.521 K(o=-0.52,f=-8.1!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -164:sc= -1.91! USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.142 (180deg=-1.14) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -17.498 -5.224 2.269 1.00 0.00 N ATOM 31 CA GLU A 3 -17.180 -4.739 0.896 1.00 0.00 C ATOM 32 C GLU A 3 -16.876 -3.246 0.945 1.00 0.00 C ATOM 33 O GLU A 3 -17.474 -2.464 0.247 1.00 0.00 O ATOM 34 CB GLU A 3 -18.376 -4.988 -0.025 1.00 0.00 C ATOM 35 CG GLU A 3 -18.065 -6.162 -0.957 1.00 0.00 C ATOM 36 CD GLU A 3 -19.324 -7.007 -1.153 1.00 0.00 C ATOM 37 OE1 GLU A 3 -20.392 -6.534 -0.802 1.00 0.00 O ATOM 38 OE2 GLU A 3 -19.199 -8.113 -1.651 1.00 0.00 O ATOM 0 HA GLU A 3 -16.312 -5.275 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.265 -5.205 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.592 -4.093 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.710 -5.792 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.267 -6.773 -0.536 1.00 0.00 H new ATOM 45 N CYS A 4 -15.943 -2.847 1.762 1.00 0.00 N ATOM 46 CA CYS A 4 -15.593 -1.402 1.851 1.00 0.00 C ATOM 47 C CYS A 4 -14.092 -1.246 1.595 1.00 0.00 C ATOM 48 O CYS A 4 -13.275 -1.422 2.478 1.00 0.00 O ATOM 49 CB CYS A 4 -15.958 -0.879 3.243 1.00 0.00 C ATOM 50 SG CYS A 4 -17.766 -0.838 3.426 1.00 0.00 S ATOM 0 H CYS A 4 -15.406 -3.461 2.374 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.146 -0.828 1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.520 -1.519 4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.545 0.120 3.387 1.00 0.00 H new ATOM 55 N ASP A 5 -13.730 -0.937 0.379 1.00 0.00 N ATOM 56 CA ASP A 5 -12.289 -0.784 0.028 1.00 0.00 C ATOM 57 C ASP A 5 -11.736 0.515 0.621 1.00 0.00 C ATOM 58 O ASP A 5 -10.560 0.626 0.904 1.00 0.00 O ATOM 59 CB ASP A 5 -12.147 -0.749 -1.499 1.00 0.00 C ATOM 60 CG ASP A 5 -10.766 -1.273 -1.895 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.789 -0.766 -1.370 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.709 -2.172 -2.718 1.00 0.00 O ATOM 0 H ASP A 5 -14.378 -0.783 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.728 -1.625 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.925 -1.357 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.280 0.269 -1.864 1.00 0.00 H new ATOM 67 N CYS A 6 -12.570 1.499 0.810 1.00 0.00 N ATOM 68 CA CYS A 6 -12.079 2.785 1.384 1.00 0.00 C ATOM 69 C CYS A 6 -12.494 2.885 2.853 1.00 0.00 C ATOM 70 O CYS A 6 -13.437 2.254 3.286 1.00 0.00 O ATOM 71 CB CYS A 6 -12.670 3.961 0.601 1.00 0.00 C ATOM 72 SG CYS A 6 -14.442 3.698 0.348 1.00 0.00 S ATOM 0 H CYS A 6 -13.566 1.470 0.593 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.992 2.817 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.505 4.891 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.166 4.060 -0.361 1.00 0.00 H new ATOM 77 N SER A 7 -11.791 3.670 3.623 1.00 0.00 N ATOM 78 CA SER A 7 -12.137 3.808 5.065 1.00 0.00 C ATOM 79 C SER A 7 -13.134 4.954 5.251 1.00 0.00 C ATOM 80 O SER A 7 -13.727 5.107 6.300 1.00 0.00 O ATOM 81 CB SER A 7 -10.870 4.102 5.866 1.00 0.00 C ATOM 82 OG SER A 7 -9.824 4.468 4.974 1.00 0.00 O ATOM 0 H SER A 7 -10.991 4.222 3.315 1.00 0.00 H new ATOM 0 HA SER A 7 -12.586 2.879 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.055 4.907 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.580 3.225 6.444 1.00 0.00 H new ATOM 0 HG SER A 7 -9.063 3.863 5.096 1.00 0.00 H new ATOM 88 N SER A 8 -13.322 5.764 4.245 1.00 0.00 N ATOM 89 CA SER A 8 -14.278 6.899 4.378 1.00 0.00 C ATOM 90 C SER A 8 -15.362 6.788 3.298 1.00 0.00 C ATOM 91 O SER A 8 -15.061 6.531 2.149 1.00 0.00 O ATOM 92 CB SER A 8 -13.526 8.219 4.208 1.00 0.00 C ATOM 93 OG SER A 8 -12.631 8.393 5.298 1.00 0.00 O ATOM 0 H SER A 8 -12.857 5.689 3.340 1.00 0.00 H new ATOM 0 HA SER A 8 -14.743 6.867 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.976 8.219 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.231 9.049 4.165 1.00 0.00 H new ATOM 0 HG SER A 8 -12.146 9.238 5.191 1.00 0.00 H new ATOM 99 N PRO A 9 -16.596 6.985 3.698 1.00 0.00 N ATOM 100 CA PRO A 9 -17.748 6.915 2.781 1.00 0.00 C ATOM 101 C PRO A 9 -17.866 8.206 1.965 1.00 0.00 C ATOM 102 O PRO A 9 -18.824 8.410 1.245 1.00 0.00 O ATOM 103 CB PRO A 9 -18.945 6.758 3.721 1.00 0.00 C ATOM 104 CG PRO A 9 -18.498 7.312 5.095 1.00 0.00 C ATOM 105 CD PRO A 9 -16.958 7.295 5.097 1.00 0.00 C ATOM 0 HA PRO A 9 -17.668 6.104 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.809 7.305 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.241 5.712 3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.874 8.324 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.893 6.701 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.550 8.256 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.569 6.544 5.785 1.00 0.00 H new ATOM 113 N GLU A 10 -16.903 9.080 2.070 1.00 0.00 N ATOM 114 CA GLU A 10 -16.965 10.354 1.300 1.00 0.00 C ATOM 115 C GLU A 10 -15.966 10.300 0.143 1.00 0.00 C ATOM 116 O GLU A 10 -15.742 11.277 -0.543 1.00 0.00 O ATOM 117 CB GLU A 10 -16.617 11.525 2.221 1.00 0.00 C ATOM 118 CG GLU A 10 -17.821 12.462 2.331 1.00 0.00 C ATOM 119 CD GLU A 10 -18.827 11.887 3.329 1.00 0.00 C ATOM 120 OE1 GLU A 10 -18.866 10.674 3.467 1.00 0.00 O ATOM 121 OE2 GLU A 10 -19.541 12.665 3.938 1.00 0.00 O ATOM 0 H GLU A 10 -16.076 8.967 2.656 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.972 10.490 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.339 11.155 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.756 12.066 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.497 13.451 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.290 12.584 1.355 1.00 0.00 H new ATOM 128 N ASN A 11 -15.365 9.164 -0.078 1.00 0.00 N ATOM 129 CA ASN A 11 -14.381 9.044 -1.188 1.00 0.00 C ATOM 130 C ASN A 11 -15.119 8.666 -2.480 1.00 0.00 C ATOM 131 O ASN A 11 -15.887 7.724 -2.493 1.00 0.00 O ATOM 132 CB ASN A 11 -13.368 7.953 -0.840 1.00 0.00 C ATOM 133 CG ASN A 11 -11.984 8.350 -1.359 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.816 8.620 -2.531 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.979 8.395 -0.529 1.00 0.00 N ATOM 0 H ASN A 11 -15.514 8.313 0.464 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.864 9.993 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.334 7.806 0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.674 7.005 -1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.052 8.657 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.120 8.168 0.455 1.00 0.00 H new ATOM 142 N PRO A 12 -14.868 9.410 -3.531 1.00 0.00 N ATOM 143 CA PRO A 12 -15.503 9.169 -4.839 1.00 0.00 C ATOM 144 C PRO A 12 -14.834 7.987 -5.547 1.00 0.00 C ATOM 145 O PRO A 12 -15.459 7.271 -6.305 1.00 0.00 O ATOM 146 CB PRO A 12 -15.261 10.476 -5.601 1.00 0.00 C ATOM 147 CG PRO A 12 -14.045 11.155 -4.928 1.00 0.00 C ATOM 148 CD PRO A 12 -13.933 10.554 -3.515 1.00 0.00 C ATOM 0 HA PRO A 12 -16.561 8.916 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.062 10.280 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.139 11.120 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.135 10.974 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.182 12.235 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.914 10.232 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.207 11.281 -2.750 1.00 0.00 H new ATOM 156 N CYS A 13 -13.570 7.773 -5.303 1.00 0.00 N ATOM 157 CA CYS A 13 -12.867 6.638 -5.960 1.00 0.00 C ATOM 158 C CYS A 13 -13.583 5.332 -5.615 1.00 0.00 C ATOM 159 O CYS A 13 -13.656 4.422 -6.416 1.00 0.00 O ATOM 160 CB CYS A 13 -11.425 6.572 -5.455 1.00 0.00 C ATOM 161 SG CYS A 13 -10.424 5.618 -6.619 1.00 0.00 S ATOM 0 H CYS A 13 -12.995 8.336 -4.677 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.869 6.784 -7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -11.019 7.578 -5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.394 6.110 -4.468 1.00 0.00 H new ATOM 166 N CYS A 14 -14.109 5.231 -4.426 1.00 0.00 N ATOM 167 CA CYS A 14 -14.815 3.982 -4.030 1.00 0.00 C ATOM 168 C CYS A 14 -16.317 4.248 -3.932 1.00 0.00 C ATOM 169 O CYS A 14 -16.756 5.165 -3.267 1.00 0.00 O ATOM 170 CB CYS A 14 -14.295 3.510 -2.671 1.00 0.00 C ATOM 171 SG CYS A 14 -14.834 4.663 -1.383 1.00 0.00 S ATOM 0 H CYS A 14 -14.080 5.959 -3.712 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.631 3.212 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.667 2.508 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.207 3.449 -2.687 1.00 0.00 H new ATOM 176 N ASP A 15 -17.110 3.444 -4.582 1.00 0.00 N ATOM 177 CA ASP A 15 -18.583 3.636 -4.517 1.00 0.00 C ATOM 178 C ASP A 15 -18.999 3.760 -3.054 1.00 0.00 C ATOM 179 O ASP A 15 -18.561 2.998 -2.216 1.00 0.00 O ATOM 180 CB ASP A 15 -19.276 2.421 -5.128 1.00 0.00 C ATOM 181 CG ASP A 15 -20.704 2.793 -5.530 1.00 0.00 C ATOM 182 OD1 ASP A 15 -21.038 3.963 -5.440 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.439 1.901 -5.921 1.00 0.00 O ATOM 0 H ASP A 15 -16.800 2.660 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.864 4.535 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.721 2.073 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.291 1.600 -4.411 1.00 0.00 H new ATOM 188 N ALA A 16 -19.840 4.708 -2.740 1.00 0.00 N ATOM 189 CA ALA A 16 -20.280 4.871 -1.326 1.00 0.00 C ATOM 190 C ALA A 16 -21.236 3.733 -0.958 1.00 0.00 C ATOM 191 O ALA A 16 -21.185 3.195 0.129 1.00 0.00 O ATOM 192 CB ALA A 16 -20.996 6.213 -1.163 1.00 0.00 C ATOM 0 H ALA A 16 -20.240 5.375 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 16 -19.411 4.844 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.317 6.331 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.315 7.023 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.866 6.243 -1.819 1.00 0.00 H new ATOM 198 N ALA A 17 -22.107 3.362 -1.856 1.00 0.00 N ATOM 199 CA ALA A 17 -23.061 2.257 -1.555 1.00 0.00 C ATOM 200 C ALA A 17 -22.278 0.970 -1.294 1.00 0.00 C ATOM 201 O ALA A 17 -22.562 0.232 -0.372 1.00 0.00 O ATOM 202 CB ALA A 17 -23.999 2.049 -2.745 1.00 0.00 C ATOM 0 H ALA A 17 -22.199 3.775 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.648 2.515 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.695 1.241 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -24.556 2.967 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -23.415 1.791 -3.628 1.00 0.00 H new ATOM 208 N THR A 18 -21.290 0.695 -2.101 1.00 0.00 N ATOM 209 CA THR A 18 -20.486 -0.543 -1.902 1.00 0.00 C ATOM 210 C THR A 18 -19.119 -0.178 -1.318 1.00 0.00 C ATOM 211 O THR A 18 -18.225 -0.991 -1.279 1.00 0.00 O ATOM 212 CB THR A 18 -20.290 -1.250 -3.245 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.122 -0.745 -3.877 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.504 -1.002 -4.144 1.00 0.00 C ATOM 0 H THR A 18 -21.005 1.275 -2.890 1.00 0.00 H new ATOM 0 HA THR A 18 -21.011 -1.206 -1.215 1.00 0.00 H new ATOM 0 HB THR A 18 -20.182 -2.321 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.994 -1.198 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.359 -1.508 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.400 -1.390 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.618 0.069 -4.314 1.00 0.00 H new ATOM 222 N CYS A 19 -18.961 1.046 -0.876 1.00 0.00 N ATOM 223 CA CYS A 19 -17.655 1.503 -0.294 1.00 0.00 C ATOM 224 C CYS A 19 -16.481 0.797 -0.965 1.00 0.00 C ATOM 225 O CYS A 19 -15.480 0.527 -0.338 1.00 0.00 O ATOM 226 CB CYS A 19 -17.598 1.214 1.210 1.00 0.00 C ATOM 227 SG CYS A 19 -18.483 -0.314 1.604 1.00 0.00 S ATOM 0 H CYS A 19 -19.690 1.759 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.584 2.577 -0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.559 1.131 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.036 2.046 1.762 1.00 0.00 H new ATOM 232 N LYS A 20 -16.581 0.498 -2.226 1.00 0.00 N ATOM 233 CA LYS A 20 -15.442 -0.190 -2.899 1.00 0.00 C ATOM 234 C LYS A 20 -15.094 0.542 -4.194 1.00 0.00 C ATOM 235 O LYS A 20 -15.790 1.438 -4.617 1.00 0.00 O ATOM 236 CB LYS A 20 -15.812 -1.641 -3.219 1.00 0.00 C ATOM 237 CG LYS A 20 -15.900 -2.464 -1.927 1.00 0.00 C ATOM 238 CD LYS A 20 -14.794 -3.523 -1.922 1.00 0.00 C ATOM 239 CE LYS A 20 -14.834 -4.308 -3.234 1.00 0.00 C ATOM 240 NZ LYS A 20 -14.868 -5.768 -2.939 1.00 0.00 N ATOM 0 H LYS A 20 -17.389 0.695 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.582 -0.182 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.766 -1.673 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.067 -2.075 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.798 -1.812 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.877 -2.942 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.821 -3.047 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.927 -4.199 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.712 -4.023 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.960 -4.069 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.115 -6.291 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.933 -6.076 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.579 -5.957 -2.204 1.00 0.00 H new ATOM 254 N LEU A 21 -14.016 0.169 -4.824 1.00 0.00 N ATOM 255 CA LEU A 21 -13.619 0.849 -6.087 1.00 0.00 C ATOM 256 C LEU A 21 -14.717 0.675 -7.138 1.00 0.00 C ATOM 257 O LEU A 21 -14.920 -0.400 -7.668 1.00 0.00 O ATOM 258 CB LEU A 21 -12.317 0.233 -6.605 1.00 0.00 C ATOM 259 CG LEU A 21 -11.136 0.788 -5.812 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.374 -0.363 -5.154 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.200 1.541 -6.759 1.00 0.00 C ATOM 0 H LEU A 21 -13.392 -0.578 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.473 1.912 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.354 -0.852 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.194 0.457 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.502 1.467 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.531 0.035 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.040 -0.903 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.006 -1.043 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.356 1.939 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.835 0.860 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.741 2.362 -7.229 1.00 0.00 H new ATOM 273 N ARG A 22 -15.425 1.727 -7.446 1.00 0.00 N ATOM 274 CA ARG A 22 -16.507 1.626 -8.466 1.00 0.00 C ATOM 275 C ARG A 22 -15.906 1.687 -9.876 1.00 0.00 C ATOM 276 O ARG A 22 -16.222 0.864 -10.712 1.00 0.00 O ATOM 277 CB ARG A 22 -17.500 2.777 -8.283 1.00 0.00 C ATOM 278 CG ARG A 22 -18.917 2.277 -8.572 1.00 0.00 C ATOM 279 CD ARG A 22 -19.551 3.142 -9.662 1.00 0.00 C ATOM 280 NE ARG A 22 -21.014 3.262 -9.411 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.758 3.979 -10.209 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.294 5.093 -10.706 1.00 0.00 N ATOM 283 NH2 ARG A 22 -22.963 3.580 -10.511 1.00 0.00 N ATOM 0 H ARG A 22 -15.301 2.652 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.026 0.676 -8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.440 3.165 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.249 3.599 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.888 1.235 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.520 2.317 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.090 4.130 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.374 2.699 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.435 2.783 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.351 5.403 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.874 5.654 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -23.324 2.708 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.544 4.140 -11.134 1.00 0.00 H new ATOM 297 N PRO A 23 -15.059 2.664 -10.107 1.00 0.00 N ATOM 298 CA PRO A 23 -14.411 2.851 -11.416 1.00 0.00 C ATOM 299 C PRO A 23 -13.227 1.891 -11.568 1.00 0.00 C ATOM 300 O PRO A 23 -12.980 1.057 -10.720 1.00 0.00 O ATOM 301 CB PRO A 23 -13.926 4.301 -11.372 1.00 0.00 C ATOM 302 CG PRO A 23 -13.805 4.677 -9.875 1.00 0.00 C ATOM 303 CD PRO A 23 -14.669 3.668 -9.094 1.00 0.00 C ATOM 0 HA PRO A 23 -15.077 2.652 -12.255 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.966 4.405 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.628 4.961 -11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.766 4.632 -9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.150 5.697 -9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.109 3.213 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -15.542 4.149 -8.653 1.00 0.00 H new ATOM 311 N GLY A 24 -12.493 2.007 -12.640 1.00 0.00 N ATOM 312 CA GLY A 24 -11.324 1.105 -12.842 1.00 0.00 C ATOM 313 C GLY A 24 -10.132 1.642 -12.047 1.00 0.00 C ATOM 314 O GLY A 24 -9.087 1.931 -12.595 1.00 0.00 O ATOM 0 H GLY A 24 -12.652 2.686 -13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.569 0.094 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.073 1.046 -13.901 1.00 0.00 H new ATOM 318 N ALA A 25 -10.282 1.778 -10.758 1.00 0.00 N ATOM 319 CA ALA A 25 -9.162 2.297 -9.924 1.00 0.00 C ATOM 320 C ALA A 25 -8.550 1.142 -9.125 1.00 0.00 C ATOM 321 O ALA A 25 -9.232 0.216 -8.737 1.00 0.00 O ATOM 322 CB ALA A 25 -9.699 3.360 -8.962 1.00 0.00 C ATOM 0 H ALA A 25 -11.134 1.551 -10.245 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.399 2.740 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.882 3.742 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.139 4.178 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.459 2.917 -8.318 1.00 0.00 H new ATOM 328 N GLN A 26 -7.267 1.184 -8.880 1.00 0.00 N ATOM 329 CA GLN A 26 -6.625 0.082 -8.110 1.00 0.00 C ATOM 330 C GLN A 26 -6.846 0.306 -6.612 1.00 0.00 C ATOM 331 O GLN A 26 -6.777 -0.615 -5.823 1.00 0.00 O ATOM 332 CB GLN A 26 -5.122 0.064 -8.405 1.00 0.00 C ATOM 333 CG GLN A 26 -4.806 -1.062 -9.392 1.00 0.00 C ATOM 334 CD GLN A 26 -3.601 -0.667 -10.248 1.00 0.00 C ATOM 335 OE1 GLN A 26 -3.309 0.503 -10.405 1.00 0.00 O ATOM 336 NE2 GLN A 26 -2.883 -1.599 -10.814 1.00 0.00 N ATOM 0 H GLN A 26 -6.639 1.931 -9.179 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.067 -0.870 -8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.811 1.023 -8.820 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.562 -0.080 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.595 -1.985 -8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.670 -1.255 -10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.127 -2.581 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.078 -1.345 -11.387 1.00 0.00 H new ATOM 345 N CYS A 27 -7.114 1.518 -6.212 1.00 0.00 N ATOM 346 CA CYS A 27 -7.340 1.789 -4.764 1.00 0.00 C ATOM 347 C CYS A 27 -7.937 3.191 -4.597 1.00 0.00 C ATOM 348 O CYS A 27 -7.747 4.062 -5.424 1.00 0.00 O ATOM 349 CB CYS A 27 -5.994 1.645 -4.007 1.00 0.00 C ATOM 350 SG CYS A 27 -5.487 3.190 -3.196 1.00 0.00 S ATOM 0 H CYS A 27 -7.186 2.331 -6.823 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.046 1.072 -4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.083 0.857 -3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.218 1.333 -4.707 1.00 0.00 H new ATOM 355 N GLY A 28 -8.640 3.417 -3.523 1.00 0.00 N ATOM 356 CA GLY A 28 -9.230 4.761 -3.286 1.00 0.00 C ATOM 357 C GLY A 28 -8.267 5.559 -2.423 1.00 0.00 C ATOM 358 O GLY A 28 -8.121 6.757 -2.568 1.00 0.00 O ATOM 0 H GLY A 28 -8.831 2.726 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.404 5.272 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.197 4.669 -2.791 1.00 0.00 H new ATOM 362 N GLU A 29 -7.607 4.897 -1.523 1.00 0.00 N ATOM 363 CA GLU A 29 -6.646 5.599 -0.644 1.00 0.00 C ATOM 364 C GLU A 29 -5.496 4.651 -0.295 1.00 0.00 C ATOM 365 O GLU A 29 -5.625 3.446 -0.396 1.00 0.00 O ATOM 366 CB GLU A 29 -7.376 6.039 0.621 1.00 0.00 C ATOM 367 CG GLU A 29 -7.752 4.814 1.459 1.00 0.00 C ATOM 368 CD GLU A 29 -7.985 5.240 2.910 1.00 0.00 C ATOM 369 OE1 GLU A 29 -8.426 6.359 3.114 1.00 0.00 O ATOM 370 OE2 GLU A 29 -7.718 4.441 3.793 1.00 0.00 O ATOM 0 H GLU A 29 -7.693 3.894 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.236 6.475 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.742 6.708 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.273 6.599 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.651 4.347 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.958 4.069 1.411 1.00 0.00 H new ATOM 377 N GLY A 30 -4.375 5.176 0.113 1.00 0.00 N ATOM 378 CA GLY A 30 -3.229 4.290 0.463 1.00 0.00 C ATOM 379 C GLY A 30 -1.930 5.096 0.463 1.00 0.00 C ATOM 380 O GLY A 30 -1.855 6.171 -0.101 1.00 0.00 O ATOM 0 H GLY A 30 -4.202 6.176 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.390 3.843 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.159 3.471 -0.253 1.00 0.00 H new ATOM 384 N LEU A 31 -0.905 4.586 1.091 1.00 0.00 N ATOM 385 CA LEU A 31 0.389 5.325 1.128 1.00 0.00 C ATOM 386 C LEU A 31 0.919 5.493 -0.296 1.00 0.00 C ATOM 387 O LEU A 31 1.622 6.436 -0.601 1.00 0.00 O ATOM 388 CB LEU A 31 1.410 4.538 1.953 1.00 0.00 C ATOM 389 CG LEU A 31 2.063 5.467 2.977 1.00 0.00 C ATOM 390 CD1 LEU A 31 2.671 6.671 2.255 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.005 5.947 3.973 1.00 0.00 C ATOM 0 H LEU A 31 -0.908 3.691 1.579 1.00 0.00 H new ATOM 0 HA LEU A 31 0.231 6.303 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.920 3.707 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.169 4.109 1.299 1.00 0.00 H new ATOM 0 HG LEU A 31 2.847 4.931 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.137 7.335 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.422 6.328 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.887 7.210 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.468 6.610 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.221 6.486 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.571 5.088 4.485 1.00 0.00 H new ATOM 403 N CYS A 32 0.591 4.583 -1.169 1.00 0.00 N ATOM 404 CA CYS A 32 1.081 4.687 -2.569 1.00 0.00 C ATOM 405 C CYS A 32 -0.087 4.526 -3.537 1.00 0.00 C ATOM 406 O CYS A 32 -0.272 3.488 -4.140 1.00 0.00 O ATOM 407 CB CYS A 32 2.115 3.594 -2.819 1.00 0.00 C ATOM 408 SG CYS A 32 3.532 3.875 -1.737 1.00 0.00 S ATOM 0 H CYS A 32 0.005 3.772 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 32 1.538 5.664 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.681 2.613 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.429 3.603 -3.863 1.00 0.00 H new ATOM 413 N CYS A 33 -0.874 5.552 -3.692 1.00 0.00 N ATOM 414 CA CYS A 33 -2.030 5.467 -4.620 1.00 0.00 C ATOM 415 C CYS A 33 -2.162 6.788 -5.379 1.00 0.00 C ATOM 416 O CYS A 33 -2.854 7.694 -4.959 1.00 0.00 O ATOM 417 CB CYS A 33 -3.302 5.184 -3.820 1.00 0.00 C ATOM 418 SG CYS A 33 -3.557 3.400 -3.746 1.00 0.00 S ATOM 0 H CYS A 33 -0.765 6.447 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.877 4.659 -5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.215 5.595 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.158 5.669 -4.289 1.00 0.00 H new ATOM 423 N GLU A 34 -1.498 6.900 -6.498 1.00 0.00 N ATOM 424 CA GLU A 34 -1.576 8.152 -7.294 1.00 0.00 C ATOM 425 C GLU A 34 -2.728 8.023 -8.281 1.00 0.00 C ATOM 426 O GLU A 34 -2.745 7.141 -9.119 1.00 0.00 O ATOM 427 CB GLU A 34 -0.264 8.355 -8.057 1.00 0.00 C ATOM 428 CG GLU A 34 0.915 8.236 -7.089 1.00 0.00 C ATOM 429 CD GLU A 34 1.064 9.540 -6.302 1.00 0.00 C ATOM 430 OE1 GLU A 34 0.458 9.645 -5.249 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.782 10.410 -6.766 1.00 0.00 O ATOM 0 H GLU A 34 -0.903 6.173 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.740 9.006 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.174 7.612 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.257 9.334 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.755 7.403 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.831 8.025 -7.640 1.00 0.00 H new ATOM 438 N GLN A 35 -3.702 8.878 -8.184 1.00 0.00 N ATOM 439 CA GLN A 35 -4.856 8.779 -9.109 1.00 0.00 C ATOM 440 C GLN A 35 -5.538 7.429 -8.898 1.00 0.00 C ATOM 441 O GLN A 35 -5.989 6.795 -9.830 1.00 0.00 O ATOM 442 CB GLN A 35 -4.368 8.888 -10.555 1.00 0.00 C ATOM 443 CG GLN A 35 -5.331 9.765 -11.357 1.00 0.00 C ATOM 444 CD GLN A 35 -4.942 9.731 -12.835 1.00 0.00 C ATOM 445 OE1 GLN A 35 -5.726 9.329 -13.672 1.00 0.00 O ATOM 446 NE2 GLN A 35 -3.757 10.140 -13.195 1.00 0.00 N ATOM 0 H GLN A 35 -3.748 9.639 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.561 9.587 -8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.365 9.315 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.304 7.897 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.354 9.410 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.301 10.789 -10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.099 10.477 -12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.489 10.122 -14.179 1.00 0.00 H new ATOM 455 N CYS A 36 -5.608 6.984 -7.671 1.00 0.00 N ATOM 456 CA CYS A 36 -6.252 5.674 -7.386 1.00 0.00 C ATOM 457 C CYS A 36 -5.475 4.560 -8.088 1.00 0.00 C ATOM 458 O CYS A 36 -5.943 3.445 -8.212 1.00 0.00 O ATOM 459 CB CYS A 36 -7.691 5.690 -7.897 1.00 0.00 C ATOM 460 SG CYS A 36 -8.715 6.680 -6.782 1.00 0.00 S ATOM 0 H CYS A 36 -5.245 7.475 -6.854 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.251 5.496 -6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.726 6.104 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.078 4.673 -7.957 1.00 0.00 H new ATOM 465 N LYS A 37 -4.290 4.852 -8.547 1.00 0.00 N ATOM 466 CA LYS A 37 -3.482 3.811 -9.242 1.00 0.00 C ATOM 467 C LYS A 37 -2.418 3.272 -8.287 1.00 0.00 C ATOM 468 O LYS A 37 -2.000 3.943 -7.364 1.00 0.00 O ATOM 469 CB LYS A 37 -2.801 4.427 -10.464 1.00 0.00 C ATOM 470 CG LYS A 37 -3.128 3.596 -11.704 1.00 0.00 C ATOM 471 CD LYS A 37 -3.087 4.491 -12.942 1.00 0.00 C ATOM 472 CE LYS A 37 -3.804 3.796 -14.099 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.532 4.810 -14.913 1.00 0.00 N ATOM 0 H LYS A 37 -3.846 5.767 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.134 2.997 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.139 5.454 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.722 4.464 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.412 2.781 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.114 3.143 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.563 5.448 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.054 4.703 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.084 3.264 -14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.503 3.053 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.020 4.338 -15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.230 5.298 -14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.855 5.503 -15.291 1.00 0.00 H new ATOM 487 N PHE A 38 -1.972 2.066 -8.505 1.00 0.00 N ATOM 488 CA PHE A 38 -0.930 1.485 -7.613 1.00 0.00 C ATOM 489 C PHE A 38 0.434 2.060 -7.993 1.00 0.00 C ATOM 490 O PHE A 38 0.864 1.957 -9.124 1.00 0.00 O ATOM 491 CB PHE A 38 -0.893 -0.034 -7.789 1.00 0.00 C ATOM 492 CG PHE A 38 -1.914 -0.683 -6.888 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.013 -0.297 -5.546 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.759 -1.678 -7.394 1.00 0.00 C ATOM 495 CE1 PHE A 38 -2.956 -0.906 -4.711 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.703 -2.287 -6.560 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.801 -1.901 -5.217 1.00 0.00 C ATOM 0 H PHE A 38 -2.284 1.458 -9.262 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.164 1.729 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.096 -0.293 -8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.103 -0.411 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.362 0.471 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.682 -1.976 -8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.032 -0.608 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.355 -3.054 -6.951 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.528 -2.371 -4.572 1.00 0.00 H new ATOM 507 N SER A 39 1.125 2.657 -7.061 1.00 0.00 N ATOM 508 CA SER A 39 2.464 3.219 -7.388 1.00 0.00 C ATOM 509 C SER A 39 3.384 2.065 -7.804 1.00 0.00 C ATOM 510 O SER A 39 3.012 1.234 -8.608 1.00 0.00 O ATOM 511 CB SER A 39 3.033 3.945 -6.165 1.00 0.00 C ATOM 512 OG SER A 39 2.005 4.720 -5.563 1.00 0.00 O ATOM 0 H SER A 39 0.823 2.779 -6.095 1.00 0.00 H new ATOM 0 HA SER A 39 2.385 3.937 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.428 3.223 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.863 4.587 -6.461 1.00 0.00 H new ATOM 0 HG SER A 39 2.404 5.373 -4.950 1.00 0.00 H new ATOM 518 N ARG A 40 4.576 1.991 -7.275 1.00 0.00 N ATOM 519 CA ARG A 40 5.474 0.871 -7.668 1.00 0.00 C ATOM 520 C ARG A 40 6.248 0.369 -6.445 1.00 0.00 C ATOM 521 O ARG A 40 6.357 1.046 -5.443 1.00 0.00 O ATOM 522 CB ARG A 40 6.462 1.359 -8.730 1.00 0.00 C ATOM 523 CG ARG A 40 5.897 1.069 -10.121 1.00 0.00 C ATOM 524 CD ARG A 40 6.973 1.336 -11.175 1.00 0.00 C ATOM 525 NE ARG A 40 6.486 0.884 -12.510 1.00 0.00 N ATOM 526 CZ ARG A 40 6.594 1.673 -13.543 1.00 0.00 C ATOM 527 NH1 ARG A 40 5.681 2.575 -13.774 1.00 0.00 N ATOM 528 NH2 ARG A 40 7.619 1.561 -14.345 1.00 0.00 N ATOM 0 H ARG A 40 4.961 2.649 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 40 4.874 0.056 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.640 2.428 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.423 0.861 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.563 0.033 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.025 1.696 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.212 2.399 -11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.891 0.810 -10.914 1.00 0.00 H new ATOM 0 HE ARG A 40 6.069 -0.041 -12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.882 2.664 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.766 3.192 -14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.334 0.857 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.704 2.178 -15.153 1.00 0.00 H new ATOM 542 N ALA A 41 6.786 -0.818 -6.526 1.00 0.00 N ATOM 543 CA ALA A 41 7.556 -1.375 -5.382 1.00 0.00 C ATOM 544 C ALA A 41 8.860 -0.599 -5.247 1.00 0.00 C ATOM 545 O ALA A 41 9.237 0.146 -6.129 1.00 0.00 O ATOM 546 CB ALA A 41 7.858 -2.853 -5.636 1.00 0.00 C ATOM 0 H ALA A 41 6.724 -1.428 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 41 6.975 -1.286 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.422 -3.259 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.923 -3.402 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.445 -2.953 -6.549 1.00 0.00 H new ATOM 552 N GLY A 42 9.544 -0.735 -4.146 1.00 0.00 N ATOM 553 CA GLY A 42 10.799 0.040 -3.984 1.00 0.00 C ATOM 554 C GLY A 42 10.400 1.501 -3.834 1.00 0.00 C ATOM 555 O GLY A 42 11.142 2.403 -4.168 1.00 0.00 O ATOM 0 H GLY A 42 9.292 -1.340 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.353 -0.301 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.451 -0.096 -4.847 1.00 0.00 H new ATOM 559 N LYS A 43 9.210 1.736 -3.349 1.00 0.00 N ATOM 560 CA LYS A 43 8.740 3.139 -3.197 1.00 0.00 C ATOM 561 C LYS A 43 8.670 3.495 -1.711 1.00 0.00 C ATOM 562 O LYS A 43 8.037 2.819 -0.927 1.00 0.00 O ATOM 563 CB LYS A 43 7.361 3.272 -3.860 1.00 0.00 C ATOM 564 CG LYS A 43 6.614 4.503 -3.334 1.00 0.00 C ATOM 565 CD LYS A 43 6.392 5.494 -4.478 1.00 0.00 C ATOM 566 CE LYS A 43 6.895 6.878 -4.061 1.00 0.00 C ATOM 567 NZ LYS A 43 8.348 6.800 -3.737 1.00 0.00 N ATOM 0 H LYS A 43 8.547 1.019 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 43 9.433 3.828 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.479 3.349 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.773 2.375 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.657 4.205 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.187 4.975 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.919 5.158 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.333 5.542 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.728 7.595 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.337 7.234 -3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.819 7.675 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.469 6.681 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.771 5.989 -4.232 1.00 0.00 H new ATOM 581 N ILE A 44 9.323 4.556 -1.323 1.00 0.00 N ATOM 582 CA ILE A 44 9.304 4.964 0.106 1.00 0.00 C ATOM 583 C ILE A 44 7.864 5.251 0.530 1.00 0.00 C ATOM 584 O ILE A 44 7.176 6.065 -0.053 1.00 0.00 O ATOM 585 CB ILE A 44 10.192 6.211 0.287 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.585 5.763 0.723 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.614 7.149 1.356 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.477 5.015 2.052 1.00 0.00 C ATOM 0 H ILE A 44 9.870 5.158 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 44 9.696 4.164 0.734 1.00 0.00 H new ATOM 0 HB ILE A 44 10.236 6.749 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.027 5.118 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.241 6.627 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.260 8.020 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.617 7.471 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.554 6.622 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.469 4.692 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.051 5.675 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.834 4.144 1.928 1.00 0.00 H new ATOM 600 N CYS A 45 7.417 4.591 1.556 1.00 0.00 N ATOM 601 CA CYS A 45 6.033 4.818 2.049 1.00 0.00 C ATOM 602 C CYS A 45 6.108 5.411 3.449 1.00 0.00 C ATOM 603 O CYS A 45 5.155 5.977 3.950 1.00 0.00 O ATOM 604 CB CYS A 45 5.266 3.496 2.092 1.00 0.00 C ATOM 605 SG CYS A 45 6.390 2.134 2.493 1.00 0.00 S ATOM 0 H CYS A 45 7.954 3.899 2.079 1.00 0.00 H new ATOM 0 HA CYS A 45 5.512 5.501 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.471 3.552 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.789 3.312 1.129 1.00 0.00 H new ATOM 610 N ARG A 46 7.239 5.293 4.086 1.00 0.00 N ATOM 611 CA ARG A 46 7.377 5.858 5.451 1.00 0.00 C ATOM 612 C ARG A 46 8.855 6.034 5.801 1.00 0.00 C ATOM 613 O ARG A 46 9.733 5.627 5.067 1.00 0.00 O ATOM 614 CB ARG A 46 6.718 4.917 6.462 1.00 0.00 C ATOM 615 CG ARG A 46 5.543 5.629 7.133 1.00 0.00 C ATOM 616 CD ARG A 46 5.291 5.013 8.510 1.00 0.00 C ATOM 617 NE ARG A 46 3.823 4.956 8.769 1.00 0.00 N ATOM 618 CZ ARG A 46 3.312 5.607 9.778 1.00 0.00 C ATOM 619 NH1 ARG A 46 3.237 5.038 10.951 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.874 6.826 9.615 1.00 0.00 N ATOM 0 H ARG A 46 8.071 4.830 3.719 1.00 0.00 H new ATOM 0 HA ARG A 46 6.887 6.831 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.371 4.013 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.445 4.606 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.758 6.693 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.650 5.541 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.718 4.011 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.784 5.605 9.281 1.00 0.00 H new ATOM 0 HE ARG A 46 3.218 4.408 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.578 4.085 11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.838 5.547 11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.931 7.270 8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.475 7.334 10.404 1.00 0.00 H new ATOM 634 N ILE A 47 9.131 6.638 6.924 1.00 0.00 N ATOM 635 CA ILE A 47 10.546 6.847 7.339 1.00 0.00 C ATOM 636 C ILE A 47 10.882 5.884 8.480 1.00 0.00 C ATOM 637 O ILE A 47 10.053 5.594 9.319 1.00 0.00 O ATOM 638 CB ILE A 47 10.724 8.291 7.812 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.212 8.581 8.024 1.00 0.00 C ATOM 640 CG2 ILE A 47 9.974 8.496 9.130 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.592 9.865 7.285 1.00 0.00 C ATOM 0 H ILE A 47 8.433 6.997 7.575 1.00 0.00 H new ATOM 0 HA ILE A 47 11.212 6.658 6.497 1.00 0.00 H new ATOM 0 HB ILE A 47 10.325 8.969 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.425 8.684 9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.812 7.747 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.102 9.525 9.465 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.914 8.292 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.371 7.817 9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.652 10.072 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.394 9.744 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.002 10.696 7.672 1.00 0.00 H new ATOM 653 N ALA A 48 12.083 5.378 8.516 1.00 0.00 N ATOM 654 CA ALA A 48 12.452 4.428 9.603 1.00 0.00 C ATOM 655 C ALA A 48 12.264 5.097 10.965 1.00 0.00 C ATOM 656 O ALA A 48 11.711 6.174 11.072 1.00 0.00 O ATOM 657 CB ALA A 48 13.913 3.998 9.446 1.00 0.00 C ATOM 0 H ALA A 48 12.822 5.580 7.843 1.00 0.00 H new ATOM 0 HA ALA A 48 11.808 3.551 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.176 3.304 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.047 3.509 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.558 4.875 9.501 1.00 0.00 H new ATOM 663 N ARG A 49 12.721 4.460 12.006 1.00 0.00 N ATOM 664 CA ARG A 49 12.574 5.041 13.371 1.00 0.00 C ATOM 665 C ARG A 49 13.451 4.254 14.343 1.00 0.00 C ATOM 666 O ARG A 49 12.964 3.479 15.143 1.00 0.00 O ATOM 667 CB ARG A 49 11.112 4.946 13.812 1.00 0.00 C ATOM 668 CG ARG A 49 10.445 6.315 13.680 1.00 0.00 C ATOM 669 CD ARG A 49 10.446 7.017 15.039 1.00 0.00 C ATOM 670 NE ARG A 49 9.231 6.622 15.804 1.00 0.00 N ATOM 671 CZ ARG A 49 9.228 5.515 16.496 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.850 5.461 17.642 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.605 4.462 16.040 1.00 0.00 N ATOM 0 H ARG A 49 13.193 3.556 11.971 1.00 0.00 H new ATOM 0 HA ARG A 49 12.880 6.087 13.361 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.585 4.213 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.055 4.601 14.844 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.976 6.921 12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.423 6.200 13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.343 6.750 15.597 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.467 8.098 14.902 1.00 0.00 H new ATOM 0 HE ARG A 49 8.402 7.216 15.787 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.338 6.283 17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.848 4.596 18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.121 4.504 15.143 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.603 3.597 16.581 1.00 0.00 H new ATOM 687 N GLY A 50 14.740 4.439 14.280 1.00 0.00 N ATOM 688 CA GLY A 50 15.645 3.693 15.197 1.00 0.00 C ATOM 689 C GLY A 50 16.943 3.353 14.468 1.00 0.00 C ATOM 690 O GLY A 50 17.905 4.095 14.509 1.00 0.00 O ATOM 0 H GLY A 50 15.206 5.075 13.633 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.859 4.293 16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.159 2.780 15.541 1.00 0.00 H new ATOM 694 N ASP A 51 16.978 2.234 13.806 1.00 0.00 N ATOM 695 CA ASP A 51 18.215 1.835 13.077 1.00 0.00 C ATOM 696 C ASP A 51 17.864 0.882 11.934 1.00 0.00 C ATOM 697 O ASP A 51 18.549 -0.093 11.698 1.00 0.00 O ATOM 698 CB ASP A 51 19.154 1.121 14.043 1.00 0.00 C ATOM 699 CG ASP A 51 20.411 1.964 14.259 1.00 0.00 C ATOM 700 OD1 ASP A 51 20.275 3.090 14.710 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.489 1.471 13.972 1.00 0.00 O ATOM 0 H ASP A 51 16.202 1.575 13.737 1.00 0.00 H new ATOM 0 HA ASP A 51 18.695 2.726 12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.651 0.951 14.995 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.425 0.143 13.646 1.00 0.00 H new ATOM 706 N TRP A 52 16.803 1.144 11.226 1.00 0.00 N ATOM 707 CA TRP A 52 16.419 0.239 10.106 1.00 0.00 C ATOM 708 C TRP A 52 16.120 1.066 8.854 1.00 0.00 C ATOM 709 O TRP A 52 15.913 2.261 8.922 1.00 0.00 O ATOM 710 CB TRP A 52 15.179 -0.577 10.493 1.00 0.00 C ATOM 711 CG TRP A 52 14.436 0.108 11.597 1.00 0.00 C ATOM 712 CD1 TRP A 52 13.543 1.106 11.426 1.00 0.00 C ATOM 713 CD2 TRP A 52 14.509 -0.132 13.031 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.052 1.486 12.662 1.00 0.00 N ATOM 715 CE2 TRP A 52 13.620 0.753 13.684 1.00 0.00 C ATOM 716 CE3 TRP A 52 15.253 -1.024 13.819 1.00 0.00 C ATOM 717 CZ2 TRP A 52 13.471 0.750 15.071 1.00 0.00 C ATOM 718 CZ3 TRP A 52 15.108 -1.030 15.216 1.00 0.00 C ATOM 719 CH2 TRP A 52 14.219 -0.145 15.841 1.00 0.00 C ATOM 0 H TRP A 52 16.186 1.943 11.372 1.00 0.00 H new ATOM 0 HA TRP A 52 17.245 -0.442 9.901 1.00 0.00 H new ATOM 0 HB2 TRP A 52 14.529 -0.698 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 52 15.476 -1.577 10.810 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.258 1.538 10.478 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.356 2.218 12.801 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.941 -1.710 13.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.783 1.434 15.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.685 -1.721 15.812 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.112 -0.155 16.916 1.00 0.00 H new ATOM 730 N ASN A 53 16.096 0.438 7.709 1.00 0.00 N ATOM 731 CA ASN A 53 15.809 1.184 6.451 1.00 0.00 C ATOM 732 C ASN A 53 14.387 1.750 6.506 1.00 0.00 C ATOM 733 O ASN A 53 13.573 1.332 7.305 1.00 0.00 O ATOM 734 CB ASN A 53 15.934 0.235 5.257 1.00 0.00 C ATOM 735 CG ASN A 53 17.350 0.318 4.684 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.688 1.265 4.002 1.00 0.00 O ATOM 737 ND2 ASN A 53 18.199 -0.642 4.933 1.00 0.00 N ATOM 0 H ASN A 53 16.263 -0.561 7.591 1.00 0.00 H new ATOM 0 HA ASN A 53 16.521 2.002 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.715 -0.787 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.205 0.499 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 19.145 -0.597 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.916 -1.437 5.505 1.00 0.00 H new ATOM 744 N ASP A 54 14.082 2.698 5.662 1.00 0.00 N ATOM 745 CA ASP A 54 12.714 3.288 5.667 1.00 0.00 C ATOM 746 C ASP A 54 11.711 2.260 5.135 1.00 0.00 C ATOM 747 O ASP A 54 12.064 1.139 4.829 1.00 0.00 O ATOM 748 CB ASP A 54 12.693 4.529 4.773 1.00 0.00 C ATOM 749 CG ASP A 54 13.640 5.588 5.342 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.745 5.228 5.715 1.00 0.00 O ATOM 751 OD2 ASP A 54 13.245 6.741 5.396 1.00 0.00 O ATOM 0 H ASP A 54 14.721 3.089 4.970 1.00 0.00 H new ATOM 0 HA ASP A 54 12.442 3.567 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.994 4.264 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.680 4.928 4.711 1.00 0.00 H new ATOM 756 N ASP A 55 10.465 2.634 5.019 1.00 0.00 N ATOM 757 CA ASP A 55 9.444 1.675 4.504 1.00 0.00 C ATOM 758 C ASP A 55 9.499 1.653 2.973 1.00 0.00 C ATOM 759 O ASP A 55 10.056 2.535 2.351 1.00 0.00 O ATOM 760 CB ASP A 55 8.053 2.109 4.967 1.00 0.00 C ATOM 761 CG ASP A 55 8.044 2.264 6.489 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.117 2.348 7.063 1.00 0.00 O ATOM 763 OD2 ASP A 55 6.964 2.296 7.055 1.00 0.00 O ATOM 0 H ASP A 55 10.110 3.560 5.258 1.00 0.00 H new ATOM 0 HA ASP A 55 9.652 0.677 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.779 3.052 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.311 1.372 4.662 1.00 0.00 H new ATOM 768 N ARG A 56 8.938 0.645 2.361 1.00 0.00 N ATOM 769 CA ARG A 56 8.975 0.560 0.874 1.00 0.00 C ATOM 770 C ARG A 56 7.667 -0.033 0.355 1.00 0.00 C ATOM 771 O ARG A 56 7.311 -1.149 0.677 1.00 0.00 O ATOM 772 CB ARG A 56 10.137 -0.343 0.465 1.00 0.00 C ATOM 773 CG ARG A 56 10.572 0.000 -0.955 1.00 0.00 C ATOM 774 CD ARG A 56 11.962 0.636 -0.922 1.00 0.00 C ATOM 775 NE ARG A 56 12.894 -0.240 -0.158 1.00 0.00 N ATOM 776 CZ ARG A 56 13.944 0.275 0.419 1.00 0.00 C ATOM 777 NH1 ARG A 56 14.693 1.124 -0.229 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.244 -0.056 1.645 1.00 0.00 N ATOM 0 H ARG A 56 8.456 -0.123 2.827 1.00 0.00 H new ATOM 0 HA ARG A 56 9.105 1.557 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.972 -0.214 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.836 -1.389 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.587 -0.900 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.857 0.686 -1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.332 0.779 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.911 1.622 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 56 12.711 -1.241 -0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.457 1.385 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.514 1.527 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.657 -0.718 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.065 0.347 2.096 1.00 0.00 H new ATOM 792 N CYS A 57 6.951 0.699 -0.455 1.00 0.00 N ATOM 793 CA CYS A 57 5.676 0.161 -0.997 1.00 0.00 C ATOM 794 C CYS A 57 5.981 -1.057 -1.856 1.00 0.00 C ATOM 795 O CYS A 57 7.054 -1.165 -2.427 1.00 0.00 O ATOM 796 CB CYS A 57 4.975 1.220 -1.844 1.00 0.00 C ATOM 797 SG CYS A 57 3.792 2.107 -0.803 1.00 0.00 S ATOM 0 H CYS A 57 7.194 1.641 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 57 5.021 -0.118 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.705 1.914 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.462 0.753 -2.685 1.00 0.00 H new ATOM 802 N THR A 58 5.048 -1.972 -1.941 1.00 0.00 N ATOM 803 CA THR A 58 5.263 -3.207 -2.751 1.00 0.00 C ATOM 804 C THR A 58 5.041 -2.899 -4.232 1.00 0.00 C ATOM 805 O THR A 58 5.472 -3.634 -5.098 1.00 0.00 O ATOM 806 CB THR A 58 4.274 -4.297 -2.316 1.00 0.00 C ATOM 807 OG1 THR A 58 3.130 -4.259 -3.159 1.00 0.00 O ATOM 808 CG2 THR A 58 3.848 -4.075 -0.862 1.00 0.00 C ATOM 0 H THR A 58 4.140 -1.914 -1.480 1.00 0.00 H new ATOM 0 HA THR A 58 6.284 -3.556 -2.595 1.00 0.00 H new ATOM 0 HB THR A 58 4.758 -5.270 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.498 -4.955 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.146 -4.855 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.725 -4.111 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.369 -3.101 -0.768 1.00 0.00 H new ATOM 816 N GLY A 59 4.363 -1.826 -4.532 1.00 0.00 N ATOM 817 CA GLY A 59 4.108 -1.486 -5.959 1.00 0.00 C ATOM 818 C GLY A 59 2.768 -2.081 -6.386 1.00 0.00 C ATOM 819 O GLY A 59 2.024 -1.488 -7.142 1.00 0.00 O ATOM 0 H GLY A 59 3.976 -1.172 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.098 -0.404 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.909 -1.876 -6.587 1.00 0.00 H new ATOM 823 N GLN A 60 2.454 -3.252 -5.901 1.00 0.00 N ATOM 824 CA GLN A 60 1.162 -3.892 -6.269 1.00 0.00 C ATOM 825 C GLN A 60 0.145 -3.666 -5.149 1.00 0.00 C ATOM 826 O GLN A 60 -1.005 -4.039 -5.259 1.00 0.00 O ATOM 827 CB GLN A 60 1.376 -5.395 -6.465 1.00 0.00 C ATOM 828 CG GLN A 60 2.358 -5.630 -7.613 1.00 0.00 C ATOM 829 CD GLN A 60 1.669 -6.431 -8.721 1.00 0.00 C ATOM 830 OE1 GLN A 60 1.329 -5.894 -9.756 1.00 0.00 O ATOM 831 NE2 GLN A 60 1.448 -7.706 -8.545 1.00 0.00 N ATOM 0 H GLN A 60 3.039 -3.793 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 60 0.789 -3.453 -7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.761 -5.840 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.425 -5.882 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.710 -4.676 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.234 -6.169 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.733 -8.158 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.990 -8.250 -9.276 1.00 0.00 H new ATOM 840 N SER A 61 0.559 -3.059 -4.068 1.00 0.00 N ATOM 841 CA SER A 61 -0.392 -2.816 -2.947 1.00 0.00 C ATOM 842 C SER A 61 -0.333 -1.345 -2.532 1.00 0.00 C ATOM 843 O SER A 61 0.708 -0.720 -2.568 1.00 0.00 O ATOM 844 CB SER A 61 -0.014 -3.696 -1.755 1.00 0.00 C ATOM 845 OG SER A 61 -1.019 -3.587 -0.755 1.00 0.00 O ATOM 0 H SER A 61 1.510 -2.723 -3.914 1.00 0.00 H new ATOM 0 HA SER A 61 -1.403 -3.060 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.089 -4.734 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.951 -3.388 -1.352 1.00 0.00 H new ATOM 0 HG SER A 61 -0.781 -4.151 0.010 1.00 0.00 H new ATOM 851 N ALA A 62 -1.445 -0.791 -2.134 1.00 0.00 N ATOM 852 CA ALA A 62 -1.461 0.637 -1.709 1.00 0.00 C ATOM 853 C ALA A 62 -1.045 0.727 -0.241 1.00 0.00 C ATOM 854 O ALA A 62 -0.432 1.686 0.185 1.00 0.00 O ATOM 855 CB ALA A 62 -2.875 1.198 -1.873 1.00 0.00 C ATOM 0 H ALA A 62 -2.346 -1.267 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.768 1.213 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.890 2.243 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.176 1.125 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.567 0.626 -1.255 1.00 0.00 H new ATOM 861 N ASP A 63 -1.373 -0.268 0.537 1.00 0.00 N ATOM 862 CA ASP A 63 -0.995 -0.244 1.978 1.00 0.00 C ATOM 863 C ASP A 63 0.471 -0.653 2.123 1.00 0.00 C ATOM 864 O ASP A 63 0.818 -1.812 2.007 1.00 0.00 O ATOM 865 CB ASP A 63 -1.878 -1.225 2.752 1.00 0.00 C ATOM 866 CG ASP A 63 -3.337 -0.772 2.678 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.785 -0.456 1.588 1.00 0.00 O ATOM 868 OD2 ASP A 63 -3.982 -0.750 3.714 1.00 0.00 O ATOM 0 H ASP A 63 -1.887 -1.097 0.237 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.134 0.761 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.777 -2.227 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.555 -1.277 3.792 1.00 0.00 H new ATOM 873 N CYS A 64 1.334 0.291 2.372 1.00 0.00 N ATOM 874 CA CYS A 64 2.780 -0.035 2.521 1.00 0.00 C ATOM 875 C CYS A 64 2.966 -1.104 3.595 1.00 0.00 C ATOM 876 O CYS A 64 2.326 -1.070 4.627 1.00 0.00 O ATOM 877 CB CYS A 64 3.545 1.236 2.901 1.00 0.00 C ATOM 878 SG CYS A 64 5.214 0.811 3.458 1.00 0.00 S ATOM 0 H CYS A 64 1.100 1.278 2.479 1.00 0.00 H new ATOM 0 HA CYS A 64 3.167 -0.421 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.599 1.908 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.014 1.768 3.690 1.00 0.00 H new ATOM 883 N PRO A 65 3.845 -2.028 3.302 1.00 0.00 N ATOM 884 CA PRO A 65 4.157 -3.140 4.205 1.00 0.00 C ATOM 885 C PRO A 65 5.077 -2.670 5.335 1.00 0.00 C ATOM 886 O PRO A 65 5.160 -1.495 5.635 1.00 0.00 O ATOM 887 CB PRO A 65 4.878 -4.136 3.296 1.00 0.00 C ATOM 888 CG PRO A 65 5.436 -3.335 2.107 1.00 0.00 C ATOM 889 CD PRO A 65 4.614 -2.047 2.033 1.00 0.00 C ATOM 0 HA PRO A 65 3.277 -3.564 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.682 -4.638 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.193 -4.911 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.494 -3.113 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.351 -3.904 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.256 -1.170 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.952 -2.047 1.167 1.00 0.00 H new ATOM 897 N ARG A 66 5.770 -3.580 5.965 1.00 0.00 N ATOM 898 CA ARG A 66 6.687 -3.190 7.074 1.00 0.00 C ATOM 899 C ARG A 66 8.015 -3.934 6.918 1.00 0.00 C ATOM 900 O ARG A 66 8.158 -5.062 7.348 1.00 0.00 O ATOM 901 CB ARG A 66 6.049 -3.560 8.415 1.00 0.00 C ATOM 902 CG ARG A 66 6.732 -2.782 9.542 1.00 0.00 C ATOM 903 CD ARG A 66 6.391 -1.296 9.418 1.00 0.00 C ATOM 904 NE ARG A 66 5.015 -1.146 8.863 1.00 0.00 N ATOM 905 CZ ARG A 66 4.091 -0.545 9.561 1.00 0.00 C ATOM 906 NH1 ARG A 66 3.631 -1.097 10.651 1.00 0.00 N ATOM 907 NH2 ARG A 66 3.625 0.609 9.167 1.00 0.00 N ATOM 0 H ARG A 66 5.740 -4.579 5.759 1.00 0.00 H new ATOM 0 HA ARG A 66 6.865 -2.115 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.983 -3.333 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.143 -4.632 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.405 -3.161 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.812 -2.923 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.455 -0.815 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.112 -0.799 8.769 1.00 0.00 H new ATOM 0 HE ARG A 66 4.796 -1.514 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.994 -1.999 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.909 -0.626 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.983 1.040 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.903 1.080 9.712 1.00 0.00 H new ATOM 921 N ASN A 67 8.987 -3.318 6.302 1.00 0.00 N ATOM 922 CA ASN A 67 10.300 -3.998 6.115 1.00 0.00 C ATOM 923 C ASN A 67 11.385 -3.269 6.912 1.00 0.00 C ATOM 924 O ASN A 67 12.549 -3.611 6.844 1.00 0.00 O ATOM 925 CB ASN A 67 10.671 -3.986 4.630 1.00 0.00 C ATOM 926 CG ASN A 67 9.950 -5.126 3.910 1.00 0.00 C ATOM 927 OD1 ASN A 67 9.317 -5.953 4.536 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.020 -5.206 2.609 1.00 0.00 N ATOM 0 H ASN A 67 8.929 -2.374 5.920 1.00 0.00 H new ATOM 0 HA ASN A 67 10.223 -5.026 6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.396 -3.030 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.749 -4.094 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.543 -5.963 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.551 -4.512 2.083 1.00 0.00 H new ATOM 935 N GLY A 68 11.020 -2.264 7.660 1.00 0.00 N ATOM 936 CA GLY A 68 12.044 -1.521 8.449 1.00 0.00 C ATOM 937 C GLY A 68 11.541 -1.280 9.872 1.00 0.00 C ATOM 938 O GLY A 68 12.303 -1.272 10.819 1.00 0.00 O ATOM 0 H GLY A 68 10.063 -1.926 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.975 -2.088 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.264 -0.568 7.967 1.00 0.00 H new