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 Set 1.1: A 53 ASN : amide:sc= -0.0417 K(o=-1.3,f=-2.1) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -6.37! C(o=-6.4!,f=-26!) USER MOD Single : A 18 THR OG1 : rot -170:sc= 0.311 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.246) USER MOD Single : A 26 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.55) 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 172:sc= -2.28! USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.418! (180deg=-1.11!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.858 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0171 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -16.520 -6.212 0.702 1.00 0.00 N ATOM 31 CA GLU A 3 -17.192 -5.377 -0.334 1.00 0.00 C ATOM 32 C GLU A 3 -16.766 -3.918 -0.183 1.00 0.00 C ATOM 33 O GLU A 3 -17.374 -3.028 -0.743 1.00 0.00 O ATOM 34 CB GLU A 3 -18.709 -5.486 -0.169 1.00 0.00 C ATOM 35 CG GLU A 3 -19.380 -5.351 -1.537 1.00 0.00 C ATOM 36 CD GLU A 3 -20.891 -5.537 -1.387 1.00 0.00 C ATOM 37 OE1 GLU A 3 -21.472 -4.861 -0.553 1.00 0.00 O ATOM 38 OE2 GLU A 3 -21.443 -6.351 -2.109 1.00 0.00 O ATOM 0 HA GLU A 3 -16.905 -5.732 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.969 -6.443 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.070 -4.708 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.164 -4.372 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.978 -6.094 -2.225 1.00 0.00 H new ATOM 45 N CYS A 4 -15.725 -3.660 0.556 1.00 0.00 N ATOM 46 CA CYS A 4 -15.270 -2.253 0.718 1.00 0.00 C ATOM 47 C CYS A 4 -13.786 -2.156 0.355 1.00 0.00 C ATOM 48 O CYS A 4 -12.973 -2.937 0.809 1.00 0.00 O ATOM 49 CB CYS A 4 -15.484 -1.797 2.164 1.00 0.00 C ATOM 50 SG CYS A 4 -15.154 -0.021 2.285 1.00 0.00 S ATOM 0 H CYS A 4 -15.172 -4.359 1.053 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.848 -1.607 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -16.506 -2.011 2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.823 -2.348 2.833 1.00 0.00 H new ATOM 55 N ASP A 5 -13.429 -1.206 -0.466 1.00 0.00 N ATOM 56 CA ASP A 5 -11.999 -1.061 -0.865 1.00 0.00 C ATOM 57 C ASP A 5 -11.392 0.158 -0.167 1.00 0.00 C ATOM 58 O ASP A 5 -10.190 0.273 -0.032 1.00 0.00 O ATOM 59 CB ASP A 5 -11.910 -0.877 -2.384 1.00 0.00 C ATOM 60 CG ASP A 5 -10.703 -1.646 -2.922 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.755 -1.821 -2.175 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.747 -2.047 -4.074 1.00 0.00 O ATOM 0 H ASP A 5 -14.066 -0.524 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.449 -1.956 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.824 -1.235 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.818 0.181 -2.628 1.00 0.00 H new ATOM 67 N CYS A 6 -12.213 1.069 0.280 1.00 0.00 N ATOM 68 CA CYS A 6 -11.680 2.276 0.970 1.00 0.00 C ATOM 69 C CYS A 6 -12.337 2.392 2.353 1.00 0.00 C ATOM 70 O CYS A 6 -12.930 1.452 2.842 1.00 0.00 O ATOM 71 CB CYS A 6 -11.971 3.519 0.108 1.00 0.00 C ATOM 72 SG CYS A 6 -13.649 4.138 0.413 1.00 0.00 S ATOM 0 H CYS A 6 -13.229 1.029 0.197 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.601 2.196 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.244 4.300 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.857 3.270 -0.947 1.00 0.00 H new ATOM 77 N SER A 7 -12.234 3.523 2.995 1.00 0.00 N ATOM 78 CA SER A 7 -12.855 3.665 4.341 1.00 0.00 C ATOM 79 C SER A 7 -13.645 4.977 4.418 1.00 0.00 C ATOM 80 O SER A 7 -14.604 5.090 5.156 1.00 0.00 O ATOM 81 CB SER A 7 -11.760 3.664 5.407 1.00 0.00 C ATOM 82 OG SER A 7 -10.872 4.749 5.169 1.00 0.00 O ATOM 0 H SER A 7 -11.749 4.351 2.648 1.00 0.00 H new ATOM 0 HA SER A 7 -13.535 2.830 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.202 3.752 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.214 2.721 5.384 1.00 0.00 H new ATOM 0 HG SER A 7 -10.169 4.752 5.852 1.00 0.00 H new ATOM 88 N SER A 8 -13.251 5.971 3.667 1.00 0.00 N ATOM 89 CA SER A 8 -13.983 7.269 3.710 1.00 0.00 C ATOM 90 C SER A 8 -15.169 7.224 2.735 1.00 0.00 C ATOM 91 O SER A 8 -15.008 6.853 1.589 1.00 0.00 O ATOM 92 CB SER A 8 -13.033 8.397 3.301 1.00 0.00 C ATOM 93 OG SER A 8 -12.875 9.296 4.391 1.00 0.00 O ATOM 0 H SER A 8 -12.457 5.940 3.028 1.00 0.00 H new ATOM 0 HA SER A 8 -14.352 7.446 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.066 7.986 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.429 8.925 2.434 1.00 0.00 H new ATOM 0 HG SER A 8 -12.266 10.019 4.133 1.00 0.00 H new ATOM 99 N PRO A 9 -16.327 7.607 3.217 1.00 0.00 N ATOM 100 CA PRO A 9 -17.556 7.626 2.406 1.00 0.00 C ATOM 101 C PRO A 9 -17.580 8.868 1.510 1.00 0.00 C ATOM 102 O PRO A 9 -18.321 8.939 0.551 1.00 0.00 O ATOM 103 CB PRO A 9 -18.675 7.687 3.449 1.00 0.00 C ATOM 104 CG PRO A 9 -18.041 8.268 4.735 1.00 0.00 C ATOM 105 CD PRO A 9 -16.520 8.055 4.612 1.00 0.00 C ATOM 0 HA PRO A 9 -17.646 6.766 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.495 8.315 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.089 6.696 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.277 9.327 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.432 7.766 5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.972 8.975 4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.164 7.309 5.323 1.00 0.00 H new ATOM 113 N GLU A 10 -16.773 9.847 1.819 1.00 0.00 N ATOM 114 CA GLU A 10 -16.747 11.086 0.990 1.00 0.00 C ATOM 115 C GLU A 10 -15.669 10.953 -0.089 1.00 0.00 C ATOM 116 O GLU A 10 -15.331 11.905 -0.765 1.00 0.00 O ATOM 117 CB GLU A 10 -16.431 12.290 1.879 1.00 0.00 C ATOM 118 CG GLU A 10 -15.104 12.058 2.602 1.00 0.00 C ATOM 119 CD GLU A 10 -15.372 11.720 4.069 1.00 0.00 C ATOM 120 OE1 GLU A 10 -16.457 11.242 4.358 1.00 0.00 O ATOM 121 OE2 GLU A 10 -14.487 11.943 4.880 1.00 0.00 O ATOM 0 H GLU A 10 -16.130 9.842 2.611 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.720 11.228 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.375 13.196 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.231 12.439 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.556 11.245 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.479 12.948 2.532 1.00 0.00 H new ATOM 128 N ASN A 11 -15.129 9.777 -0.256 1.00 0.00 N ATOM 129 CA ASN A 11 -14.074 9.579 -1.289 1.00 0.00 C ATOM 130 C ASN A 11 -14.725 9.083 -2.587 1.00 0.00 C ATOM 131 O ASN A 11 -15.478 8.130 -2.568 1.00 0.00 O ATOM 132 CB ASN A 11 -13.076 8.533 -0.787 1.00 0.00 C ATOM 133 CG ASN A 11 -11.950 8.357 -1.808 1.00 0.00 C ATOM 134 OD1 ASN A 11 -12.147 8.565 -2.989 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.771 7.977 -1.399 1.00 0.00 N ATOM 0 H ASN A 11 -15.373 8.944 0.279 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.557 10.520 -1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.663 8.843 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.583 7.582 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.013 7.854 -2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.607 7.803 -0.407 1.00 0.00 H new ATOM 142 N PRO A 12 -14.417 9.740 -3.679 1.00 0.00 N ATOM 143 CA PRO A 12 -14.964 9.375 -4.997 1.00 0.00 C ATOM 144 C PRO A 12 -14.242 8.142 -5.541 1.00 0.00 C ATOM 145 O PRO A 12 -14.831 7.297 -6.185 1.00 0.00 O ATOM 146 CB PRO A 12 -14.678 10.608 -5.861 1.00 0.00 C ATOM 147 CG PRO A 12 -13.512 11.359 -5.174 1.00 0.00 C ATOM 148 CD PRO A 12 -13.497 10.895 -3.705 1.00 0.00 C ATOM 0 HA PRO A 12 -16.024 9.122 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.409 10.317 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.560 11.244 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.564 11.133 -5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.654 12.438 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.494 10.612 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.832 11.686 -3.034 1.00 0.00 H new ATOM 156 N CYS A 13 -12.971 8.031 -5.278 1.00 0.00 N ATOM 157 CA CYS A 13 -12.204 6.858 -5.768 1.00 0.00 C ATOM 158 C CYS A 13 -12.922 5.568 -5.369 1.00 0.00 C ATOM 159 O CYS A 13 -12.748 4.536 -5.986 1.00 0.00 O ATOM 160 CB CYS A 13 -10.811 6.879 -5.140 1.00 0.00 C ATOM 161 SG CYS A 13 -9.604 7.406 -6.372 1.00 0.00 S ATOM 0 H CYS A 13 -12.429 8.708 -4.741 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.123 6.901 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.795 7.557 -4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.555 5.888 -4.765 1.00 0.00 H new ATOM 166 N CYS A 14 -13.726 5.611 -4.341 1.00 0.00 N ATOM 167 CA CYS A 14 -14.443 4.377 -3.912 1.00 0.00 C ATOM 168 C CYS A 14 -15.932 4.666 -3.736 1.00 0.00 C ATOM 169 O CYS A 14 -16.336 5.414 -2.869 1.00 0.00 O ATOM 170 CB CYS A 14 -13.857 3.876 -2.589 1.00 0.00 C ATOM 171 SG CYS A 14 -14.124 5.110 -1.292 1.00 0.00 S ATOM 0 H CYS A 14 -13.916 6.443 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.320 3.612 -4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.325 2.933 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.791 3.681 -2.704 1.00 0.00 H new ATOM 176 N ASP A 15 -16.754 4.064 -4.550 1.00 0.00 N ATOM 177 CA ASP A 15 -18.217 4.287 -4.425 1.00 0.00 C ATOM 178 C ASP A 15 -18.645 3.962 -2.994 1.00 0.00 C ATOM 179 O ASP A 15 -18.444 2.862 -2.518 1.00 0.00 O ATOM 180 CB ASP A 15 -18.957 3.365 -5.395 1.00 0.00 C ATOM 181 CG ASP A 15 -20.228 4.058 -5.892 1.00 0.00 C ATOM 182 OD1 ASP A 15 -21.245 3.932 -5.230 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.163 4.704 -6.924 1.00 0.00 O ATOM 0 H ASP A 15 -16.473 3.427 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.455 5.325 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.313 3.115 -6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.211 2.428 -4.900 1.00 0.00 H new ATOM 188 N ALA A 16 -19.226 4.907 -2.308 1.00 0.00 N ATOM 189 CA ALA A 16 -19.662 4.651 -0.905 1.00 0.00 C ATOM 190 C ALA A 16 -20.829 3.661 -0.908 1.00 0.00 C ATOM 191 O ALA A 16 -20.937 2.812 -0.044 1.00 0.00 O ATOM 192 CB ALA A 16 -20.111 5.966 -0.266 1.00 0.00 C ATOM 0 H ALA A 16 -19.418 5.846 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.832 4.233 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.430 5.782 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.281 6.673 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.942 6.382 -0.835 1.00 0.00 H new ATOM 198 N ALA A 17 -21.702 3.760 -1.872 1.00 0.00 N ATOM 199 CA ALA A 17 -22.857 2.821 -1.929 1.00 0.00 C ATOM 200 C ALA A 17 -22.343 1.386 -1.804 1.00 0.00 C ATOM 201 O ALA A 17 -22.947 0.552 -1.158 1.00 0.00 O ATOM 202 CB ALA A 17 -23.585 2.990 -3.263 1.00 0.00 C ATOM 0 H ALA A 17 -21.666 4.450 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.547 3.035 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.430 2.303 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.945 4.015 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.899 2.773 -4.082 1.00 0.00 H new ATOM 208 N THR A 18 -21.227 1.093 -2.412 1.00 0.00 N ATOM 209 CA THR A 18 -20.670 -0.285 -2.325 1.00 0.00 C ATOM 210 C THR A 18 -19.423 -0.267 -1.438 1.00 0.00 C ATOM 211 O THR A 18 -18.979 -1.289 -0.954 1.00 0.00 O ATOM 212 CB THR A 18 -20.293 -0.786 -3.722 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.933 -0.471 -3.985 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.187 -0.120 -4.771 1.00 0.00 C ATOM 0 H THR A 18 -20.677 1.749 -2.966 1.00 0.00 H new ATOM 0 HA THR A 18 -21.420 -0.951 -1.898 1.00 0.00 H new ATOM 0 HB THR A 18 -20.433 -1.866 -3.768 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.733 -0.646 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.914 -0.480 -5.763 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.230 -0.366 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.055 0.961 -4.728 1.00 0.00 H new ATOM 222 N CYS A 19 -18.857 0.890 -1.221 1.00 0.00 N ATOM 223 CA CYS A 19 -17.641 0.981 -0.365 1.00 0.00 C ATOM 224 C CYS A 19 -16.421 0.496 -1.154 1.00 0.00 C ATOM 225 O CYS A 19 -15.364 0.269 -0.599 1.00 0.00 O ATOM 226 CB CYS A 19 -17.832 0.099 0.872 1.00 0.00 C ATOM 227 SG CYS A 19 -16.983 0.841 2.288 1.00 0.00 S ATOM 0 H CYS A 19 -19.186 1.778 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.484 2.015 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.894 -0.013 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.439 -0.900 0.683 1.00 0.00 H new ATOM 232 N LYS A 20 -16.555 0.334 -2.443 1.00 0.00 N ATOM 233 CA LYS A 20 -15.395 -0.147 -3.251 1.00 0.00 C ATOM 234 C LYS A 20 -15.012 0.892 -4.308 1.00 0.00 C ATOM 235 O LYS A 20 -15.581 1.962 -4.377 1.00 0.00 O ATOM 236 CB LYS A 20 -15.764 -1.459 -3.948 1.00 0.00 C ATOM 237 CG LYS A 20 -16.076 -2.532 -2.902 1.00 0.00 C ATOM 238 CD LYS A 20 -15.236 -3.777 -3.185 1.00 0.00 C ATOM 239 CE LYS A 20 -15.787 -4.493 -4.419 1.00 0.00 C ATOM 240 NZ LYS A 20 -16.202 -5.876 -4.048 1.00 0.00 N ATOM 0 H LYS A 20 -17.410 0.512 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.548 -0.306 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.628 -1.307 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.942 -1.787 -4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.861 -2.154 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.137 -2.782 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.195 -3.497 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.256 -4.446 -2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.637 -3.943 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.029 -4.527 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.383 -6.427 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.444 -6.331 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.068 -5.836 -3.474 1.00 0.00 H new ATOM 254 N LEU A 21 -14.045 0.578 -5.129 1.00 0.00 N ATOM 255 CA LEU A 21 -13.610 1.537 -6.185 1.00 0.00 C ATOM 256 C LEU A 21 -14.725 1.715 -7.218 1.00 0.00 C ATOM 257 O LEU A 21 -15.182 0.765 -7.823 1.00 0.00 O ATOM 258 CB LEU A 21 -12.360 0.994 -6.876 1.00 0.00 C ATOM 259 CG LEU A 21 -11.150 1.201 -5.966 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.172 0.040 -6.141 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.454 2.512 -6.336 1.00 0.00 C ATOM 0 H LEU A 21 -13.536 -0.306 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.389 2.501 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.485 -0.066 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.206 1.504 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.481 1.243 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.310 0.190 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.667 -0.895 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.841 -0.004 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.591 2.661 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.125 2.469 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.150 3.341 -6.210 1.00 0.00 H new ATOM 273 N ARG A 22 -15.167 2.926 -7.423 1.00 0.00 N ATOM 274 CA ARG A 22 -16.254 3.169 -8.415 1.00 0.00 C ATOM 275 C ARG A 22 -15.677 3.125 -9.842 1.00 0.00 C ATOM 276 O ARG A 22 -16.168 2.393 -10.677 1.00 0.00 O ATOM 277 CB ARG A 22 -16.907 4.536 -8.120 1.00 0.00 C ATOM 278 CG ARG A 22 -17.313 5.244 -9.419 1.00 0.00 C ATOM 279 CD ARG A 22 -17.983 6.578 -9.086 1.00 0.00 C ATOM 280 NE ARG A 22 -19.453 6.375 -8.953 1.00 0.00 N ATOM 281 CZ ARG A 22 -20.193 7.305 -8.413 1.00 0.00 C ATOM 282 NH1 ARG A 22 -19.827 8.555 -8.490 1.00 0.00 N ATOM 283 NH2 ARG A 22 -21.297 6.984 -7.795 1.00 0.00 N ATOM 0 H ARG A 22 -14.822 3.759 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.015 2.393 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.785 4.395 -7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.211 5.163 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.436 5.412 -10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.996 4.615 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.575 6.981 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.775 7.307 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.881 5.510 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.963 8.805 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.405 9.282 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.582 6.006 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.875 7.711 -7.373 1.00 0.00 H new ATOM 297 N PRO A 23 -14.657 3.914 -10.080 1.00 0.00 N ATOM 298 CA PRO A 23 -14.006 3.986 -11.401 1.00 0.00 C ATOM 299 C PRO A 23 -13.103 2.770 -11.628 1.00 0.00 C ATOM 300 O PRO A 23 -13.255 1.745 -10.995 1.00 0.00 O ATOM 301 CB PRO A 23 -13.181 5.273 -11.327 1.00 0.00 C ATOM 302 CG PRO A 23 -12.955 5.559 -9.824 1.00 0.00 C ATOM 303 CD PRO A 23 -14.057 4.801 -9.062 1.00 0.00 C ATOM 0 HA PRO A 23 -14.718 3.988 -12.226 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.231 5.156 -11.848 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.707 6.100 -11.805 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.966 5.224 -9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.009 6.629 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.645 4.230 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.796 5.485 -8.645 1.00 0.00 H new ATOM 311 N GLY A 24 -12.168 2.877 -12.533 1.00 0.00 N ATOM 312 CA GLY A 24 -11.261 1.728 -12.808 1.00 0.00 C ATOM 313 C GLY A 24 -9.952 1.906 -12.037 1.00 0.00 C ATOM 314 O GLY A 24 -8.915 1.417 -12.439 1.00 0.00 O ATOM 0 H GLY A 24 -11.994 3.711 -13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.742 0.795 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.058 1.661 -13.877 1.00 0.00 H new ATOM 318 N ALA A 25 -9.987 2.598 -10.931 1.00 0.00 N ATOM 319 CA ALA A 25 -8.740 2.794 -10.140 1.00 0.00 C ATOM 320 C ALA A 25 -8.413 1.500 -9.390 1.00 0.00 C ATOM 321 O ALA A 25 -9.288 0.717 -9.078 1.00 0.00 O ATOM 322 CB ALA A 25 -8.940 3.933 -9.138 1.00 0.00 C ATOM 0 H ALA A 25 -10.823 3.035 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.918 3.047 -10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.026 4.074 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.176 4.852 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.760 3.685 -8.464 1.00 0.00 H new ATOM 328 N GLN A 26 -7.163 1.263 -9.101 1.00 0.00 N ATOM 329 CA GLN A 26 -6.789 0.013 -8.379 1.00 0.00 C ATOM 330 C GLN A 26 -7.020 0.190 -6.875 1.00 0.00 C ATOM 331 O GLN A 26 -7.442 -0.722 -6.192 1.00 0.00 O ATOM 332 CB GLN A 26 -5.315 -0.301 -8.639 1.00 0.00 C ATOM 333 CG GLN A 26 -5.210 -1.577 -9.478 1.00 0.00 C ATOM 334 CD GLN A 26 -5.237 -1.216 -10.964 1.00 0.00 C ATOM 335 OE1 GLN A 26 -6.079 -1.689 -11.701 1.00 0.00 O ATOM 336 NE2 GLN A 26 -4.345 -0.389 -11.439 1.00 0.00 N ATOM 0 H GLN A 26 -6.385 1.880 -9.333 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.407 -0.810 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.841 0.531 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.786 -0.429 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.288 -2.107 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.035 -2.249 -9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.638 0.009 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.356 -0.141 -12.428 1.00 0.00 H new ATOM 345 N CYS A 27 -6.747 1.355 -6.353 1.00 0.00 N ATOM 346 CA CYS A 27 -6.953 1.586 -4.893 1.00 0.00 C ATOM 347 C CYS A 27 -7.399 3.031 -4.667 1.00 0.00 C ATOM 348 O CYS A 27 -7.031 3.927 -5.400 1.00 0.00 O ATOM 349 CB CYS A 27 -5.650 1.318 -4.129 1.00 0.00 C ATOM 350 SG CYS A 27 -4.225 1.697 -5.178 1.00 0.00 S ATOM 0 H CYS A 27 -6.390 2.157 -6.873 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.722 0.906 -4.526 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.618 1.926 -3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.612 0.275 -3.814 1.00 0.00 H new ATOM 355 N GLY A 28 -8.200 3.264 -3.662 1.00 0.00 N ATOM 356 CA GLY A 28 -8.681 4.648 -3.394 1.00 0.00 C ATOM 357 C GLY A 28 -7.826 5.292 -2.310 1.00 0.00 C ATOM 358 O GLY A 28 -7.667 6.496 -2.268 1.00 0.00 O ATOM 0 H GLY A 28 -8.542 2.554 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.635 5.242 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.725 4.626 -3.081 1.00 0.00 H new ATOM 362 N GLU A 29 -7.278 4.511 -1.428 1.00 0.00 N ATOM 363 CA GLU A 29 -6.445 5.102 -0.352 1.00 0.00 C ATOM 364 C GLU A 29 -5.319 4.139 0.032 1.00 0.00 C ATOM 365 O GLU A 29 -5.470 2.935 -0.030 1.00 0.00 O ATOM 366 CB GLU A 29 -7.334 5.384 0.856 1.00 0.00 C ATOM 367 CG GLU A 29 -7.668 4.073 1.569 1.00 0.00 C ATOM 368 CD GLU A 29 -6.742 3.893 2.775 1.00 0.00 C ATOM 369 OE1 GLU A 29 -5.920 4.765 3.002 1.00 0.00 O ATOM 370 OE2 GLU A 29 -6.871 2.884 3.449 1.00 0.00 O ATOM 0 H GLU A 29 -7.370 3.495 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.995 6.031 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.827 6.063 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.251 5.879 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.708 4.079 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.554 3.235 0.882 1.00 0.00 H new ATOM 377 N GLY A 30 -4.190 4.664 0.424 1.00 0.00 N ATOM 378 CA GLY A 30 -3.048 3.788 0.809 1.00 0.00 C ATOM 379 C GLY A 30 -1.736 4.549 0.600 1.00 0.00 C ATOM 380 O GLY A 30 -1.695 5.556 -0.078 1.00 0.00 O ATOM 0 H GLY A 30 -4.009 5.665 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.143 3.483 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.054 2.878 0.209 1.00 0.00 H new ATOM 384 N LEU A 31 -0.664 4.079 1.177 1.00 0.00 N ATOM 385 CA LEU A 31 0.641 4.781 1.007 1.00 0.00 C ATOM 386 C LEU A 31 1.315 4.306 -0.275 1.00 0.00 C ATOM 387 O LEU A 31 2.479 4.563 -0.508 1.00 0.00 O ATOM 388 CB LEU A 31 1.553 4.472 2.192 1.00 0.00 C ATOM 389 CG LEU A 31 1.695 5.721 3.058 1.00 0.00 C ATOM 390 CD1 LEU A 31 0.307 6.239 3.438 1.00 0.00 C ATOM 391 CD2 LEU A 31 2.477 5.368 4.324 1.00 0.00 C ATOM 0 H LEU A 31 -0.635 3.241 1.758 1.00 0.00 H new ATOM 0 HA LEU A 31 0.462 5.855 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.139 3.653 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.532 4.148 1.838 1.00 0.00 H new ATOM 0 HG LEU A 31 2.227 6.494 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.408 7.131 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.249 6.486 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.228 5.470 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.582 6.257 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.942 4.597 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.465 4.999 4.050 1.00 0.00 H new ATOM 403 N CYS A 32 0.598 3.610 -1.107 1.00 0.00 N ATOM 404 CA CYS A 32 1.207 3.119 -2.369 1.00 0.00 C ATOM 405 C CYS A 32 0.204 3.272 -3.508 1.00 0.00 C ATOM 406 O CYS A 32 0.240 2.546 -4.482 1.00 0.00 O ATOM 407 CB CYS A 32 1.582 1.647 -2.207 1.00 0.00 C ATOM 408 SG CYS A 32 2.331 1.400 -0.578 1.00 0.00 S ATOM 0 H CYS A 32 -0.381 3.360 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 32 2.102 3.699 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.697 1.020 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.279 1.349 -2.990 1.00 0.00 H new ATOM 413 N CYS A 33 -0.694 4.211 -3.396 1.00 0.00 N ATOM 414 CA CYS A 33 -1.697 4.403 -4.479 1.00 0.00 C ATOM 415 C CYS A 33 -1.573 5.812 -5.061 1.00 0.00 C ATOM 416 O CYS A 33 -1.911 6.792 -4.426 1.00 0.00 O ATOM 417 CB CYS A 33 -3.105 4.199 -3.918 1.00 0.00 C ATOM 418 SG CYS A 33 -4.211 3.712 -5.262 1.00 0.00 S ATOM 0 H CYS A 33 -0.776 4.850 -2.606 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.514 3.674 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.094 3.432 -3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.461 5.118 -3.452 1.00 0.00 H new ATOM 423 N GLU A 34 -1.101 5.917 -6.274 1.00 0.00 N ATOM 424 CA GLU A 34 -0.961 7.253 -6.915 1.00 0.00 C ATOM 425 C GLU A 34 -2.024 7.385 -8.005 1.00 0.00 C ATOM 426 O GLU A 34 -2.135 6.547 -8.877 1.00 0.00 O ATOM 427 CB GLU A 34 0.432 7.380 -7.536 1.00 0.00 C ATOM 428 CG GLU A 34 0.494 8.632 -8.415 1.00 0.00 C ATOM 429 CD GLU A 34 0.524 9.880 -7.530 1.00 0.00 C ATOM 430 OE1 GLU A 34 -0.396 10.049 -6.747 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.465 10.646 -7.652 1.00 0.00 O ATOM 0 H GLU A 34 -0.805 5.129 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.091 8.039 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.186 7.437 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.657 6.495 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.381 8.601 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.370 8.665 -9.079 1.00 0.00 H new ATOM 438 N GLN A 35 -2.821 8.417 -7.955 1.00 0.00 N ATOM 439 CA GLN A 35 -3.884 8.578 -8.984 1.00 0.00 C ATOM 440 C GLN A 35 -4.932 7.484 -8.771 1.00 0.00 C ATOM 441 O GLN A 35 -5.674 7.129 -9.665 1.00 0.00 O ATOM 442 CB GLN A 35 -3.273 8.441 -10.380 1.00 0.00 C ATOM 443 CG GLN A 35 -3.945 9.431 -11.333 1.00 0.00 C ATOM 444 CD GLN A 35 -4.185 8.754 -12.684 1.00 0.00 C ATOM 445 OE1 GLN A 35 -3.262 8.263 -13.303 1.00 0.00 O ATOM 446 NE2 GLN A 35 -5.396 8.707 -13.170 1.00 0.00 N ATOM 0 H GLN A 35 -2.782 9.152 -7.249 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.346 9.561 -8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.200 8.631 -10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.403 7.423 -10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.891 9.773 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.316 10.312 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.171 9.119 -12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.567 8.258 -14.070 1.00 0.00 H new ATOM 455 N CYS A 36 -4.983 6.943 -7.585 1.00 0.00 N ATOM 456 CA CYS A 36 -5.962 5.863 -7.282 1.00 0.00 C ATOM 457 C CYS A 36 -5.443 4.533 -7.828 1.00 0.00 C ATOM 458 O CYS A 36 -6.044 3.495 -7.633 1.00 0.00 O ATOM 459 CB CYS A 36 -7.316 6.178 -7.915 1.00 0.00 C ATOM 460 SG CYS A 36 -8.620 5.695 -6.767 1.00 0.00 S ATOM 0 H CYS A 36 -4.381 7.207 -6.805 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.085 5.795 -6.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.388 7.242 -8.142 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.426 5.642 -8.858 1.00 0.00 H new ATOM 465 N LYS A 37 -4.325 4.550 -8.501 1.00 0.00 N ATOM 466 CA LYS A 37 -3.768 3.281 -9.043 1.00 0.00 C ATOM 467 C LYS A 37 -2.638 2.804 -8.132 1.00 0.00 C ATOM 468 O LYS A 37 -2.207 3.511 -7.242 1.00 0.00 O ATOM 469 CB LYS A 37 -3.228 3.521 -10.453 1.00 0.00 C ATOM 470 CG LYS A 37 -4.243 3.009 -11.477 1.00 0.00 C ATOM 471 CD LYS A 37 -3.744 3.317 -12.888 1.00 0.00 C ATOM 472 CE LYS A 37 -4.923 3.757 -13.759 1.00 0.00 C ATOM 473 NZ LYS A 37 -5.150 2.745 -14.829 1.00 0.00 N ATOM 0 H LYS A 37 -3.775 5.386 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.549 2.522 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.043 4.584 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.274 3.009 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.386 1.935 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.212 3.480 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.989 4.102 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.269 2.435 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.820 3.866 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.719 4.732 -14.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.951 3.041 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.295 2.663 -15.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.362 1.824 -14.396 1.00 0.00 H new ATOM 487 N PHE A 38 -2.155 1.610 -8.339 1.00 0.00 N ATOM 488 CA PHE A 38 -1.058 1.094 -7.473 1.00 0.00 C ATOM 489 C PHE A 38 0.274 1.707 -7.902 1.00 0.00 C ATOM 490 O PHE A 38 0.719 1.524 -9.017 1.00 0.00 O ATOM 491 CB PHE A 38 -0.966 -0.427 -7.611 1.00 0.00 C ATOM 492 CG PHE A 38 -2.056 -1.078 -6.796 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.303 -0.644 -5.489 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.817 -2.117 -7.345 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.312 -1.248 -4.730 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.826 -2.721 -6.586 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.074 -2.287 -5.278 1.00 0.00 C ATOM 0 H PHE A 38 -2.471 0.971 -9.068 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.271 1.362 -6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.061 -0.713 -8.658 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.011 -0.774 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.715 0.157 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.626 -2.452 -8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.503 -0.913 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.414 -3.522 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.852 -2.753 -4.692 1.00 0.00 H new ATOM 507 N SER A 39 0.923 2.419 -7.022 1.00 0.00 N ATOM 508 CA SER A 39 2.234 3.018 -7.388 1.00 0.00 C ATOM 509 C SER A 39 3.196 1.885 -7.749 1.00 0.00 C ATOM 510 O SER A 39 2.778 0.808 -8.126 1.00 0.00 O ATOM 511 CB SER A 39 2.791 3.811 -6.203 1.00 0.00 C ATOM 512 OG SER A 39 1.712 4.344 -5.446 1.00 0.00 O ATOM 0 H SER A 39 0.604 2.610 -6.072 1.00 0.00 H new ATOM 0 HA SER A 39 2.114 3.694 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.407 3.166 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.433 4.616 -6.559 1.00 0.00 H new ATOM 0 HG SER A 39 2.057 4.741 -4.619 1.00 0.00 H new ATOM 518 N ARG A 40 4.473 2.107 -7.636 1.00 0.00 N ATOM 519 CA ARG A 40 5.438 1.025 -7.975 1.00 0.00 C ATOM 520 C ARG A 40 6.086 0.503 -6.690 1.00 0.00 C ATOM 521 O ARG A 40 6.052 1.149 -5.661 1.00 0.00 O ATOM 522 CB ARG A 40 6.521 1.576 -8.905 1.00 0.00 C ATOM 523 CG ARG A 40 6.103 1.365 -10.361 1.00 0.00 C ATOM 524 CD ARG A 40 7.286 0.813 -11.157 1.00 0.00 C ATOM 525 NE ARG A 40 7.342 -0.668 -11.000 1.00 0.00 N ATOM 526 CZ ARG A 40 8.087 -1.383 -11.797 1.00 0.00 C ATOM 527 NH1 ARG A 40 7.997 -1.224 -13.090 1.00 0.00 N ATOM 528 NH2 ARG A 40 8.922 -2.254 -11.303 1.00 0.00 N ATOM 0 H ARG A 40 4.890 2.985 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 40 4.912 0.212 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.676 2.637 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.470 1.075 -8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.262 0.673 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.768 2.307 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.183 1.074 -12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.215 1.262 -10.807 1.00 0.00 H new ATOM 0 HE ARG A 40 6.797 -1.123 -10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.345 -0.541 -13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.579 -1.783 -13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.993 -2.377 -10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.504 -2.813 -11.927 1.00 0.00 H new ATOM 542 N ALA A 41 6.677 -0.659 -6.739 1.00 0.00 N ATOM 543 CA ALA A 41 7.326 -1.216 -5.518 1.00 0.00 C ATOM 544 C ALA A 41 8.571 -0.396 -5.197 1.00 0.00 C ATOM 545 O ALA A 41 8.977 0.456 -5.962 1.00 0.00 O ATOM 546 CB ALA A 41 7.722 -2.672 -5.770 1.00 0.00 C ATOM 0 H ALA A 41 6.739 -1.247 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 41 6.632 -1.172 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.197 -3.080 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.832 -3.255 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.420 -2.720 -6.606 1.00 0.00 H new ATOM 552 N GLY A 42 9.176 -0.634 -4.068 1.00 0.00 N ATOM 553 CA GLY A 42 10.384 0.150 -3.706 1.00 0.00 C ATOM 554 C GLY A 42 9.958 1.580 -3.378 1.00 0.00 C ATOM 555 O GLY A 42 10.740 2.506 -3.463 1.00 0.00 O ATOM 0 H GLY A 42 8.887 -1.334 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.885 -0.301 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.097 0.148 -4.530 1.00 0.00 H new ATOM 559 N LYS A 43 8.717 1.774 -3.006 1.00 0.00 N ATOM 560 CA LYS A 43 8.255 3.160 -2.681 1.00 0.00 C ATOM 561 C LYS A 43 8.553 3.477 -1.224 1.00 0.00 C ATOM 562 O LYS A 43 8.011 2.862 -0.334 1.00 0.00 O ATOM 563 CB LYS A 43 6.747 3.279 -2.887 1.00 0.00 C ATOM 564 CG LYS A 43 6.325 4.751 -2.840 1.00 0.00 C ATOM 565 CD LYS A 43 6.456 5.294 -1.417 1.00 0.00 C ATOM 566 CE LYS A 43 5.599 6.553 -1.268 1.00 0.00 C ATOM 567 NZ LYS A 43 4.158 6.174 -1.215 1.00 0.00 N ATOM 0 H LYS A 43 8.011 1.043 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 43 8.779 3.854 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.467 2.843 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.221 2.717 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.945 5.336 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.295 4.852 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.139 4.539 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.499 5.524 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.878 7.090 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.777 7.228 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.629 6.893 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.779 6.113 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.059 5.251 -0.746 1.00 0.00 H new ATOM 581 N ILE A 44 9.378 4.455 -0.978 1.00 0.00 N ATOM 582 CA ILE A 44 9.690 4.839 0.425 1.00 0.00 C ATOM 583 C ILE A 44 8.398 5.355 1.099 1.00 0.00 C ATOM 584 O ILE A 44 8.282 6.495 1.497 1.00 0.00 O ATOM 585 CB ILE A 44 10.781 5.918 0.397 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.498 5.997 1.752 1.00 0.00 C ATOM 587 CG2 ILE A 44 10.165 7.269 0.058 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.489 5.905 2.897 1.00 0.00 C ATOM 0 H ILE A 44 9.852 5.007 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 44 10.056 3.988 0.999 1.00 0.00 H new ATOM 0 HB ILE A 44 11.511 5.653 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.224 5.188 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 44 12.053 6.932 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.945 8.030 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.687 7.216 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.422 7.529 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.014 5.963 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.779 6.729 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.953 4.958 2.835 1.00 0.00 H new ATOM 600 N CYS A 45 7.420 4.498 1.222 1.00 0.00 N ATOM 601 CA CYS A 45 6.122 4.885 1.856 1.00 0.00 C ATOM 602 C CYS A 45 6.386 5.578 3.186 1.00 0.00 C ATOM 603 O CYS A 45 5.598 6.374 3.655 1.00 0.00 O ATOM 604 CB CYS A 45 5.305 3.620 2.123 1.00 0.00 C ATOM 605 SG CYS A 45 6.416 2.300 2.677 1.00 0.00 S ATOM 0 H CYS A 45 7.465 3.530 0.905 1.00 0.00 H new ATOM 0 HA CYS A 45 5.581 5.558 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.547 3.816 2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.780 3.314 1.218 1.00 0.00 H new ATOM 610 N ARG A 46 7.485 5.267 3.804 1.00 0.00 N ATOM 611 CA ARG A 46 7.794 5.897 5.120 1.00 0.00 C ATOM 612 C ARG A 46 9.287 5.769 5.432 1.00 0.00 C ATOM 613 O ARG A 46 9.901 4.752 5.179 1.00 0.00 O ATOM 614 CB ARG A 46 6.988 5.196 6.215 1.00 0.00 C ATOM 615 CG ARG A 46 6.430 6.237 7.185 1.00 0.00 C ATOM 616 CD ARG A 46 7.311 6.293 8.433 1.00 0.00 C ATOM 617 NE ARG A 46 6.450 6.220 9.646 1.00 0.00 N ATOM 618 CZ ARG A 46 6.775 5.425 10.628 1.00 0.00 C ATOM 619 NH1 ARG A 46 7.939 5.543 11.203 1.00 0.00 N ATOM 620 NH2 ARG A 46 5.935 4.513 11.033 1.00 0.00 N ATOM 0 H ARG A 46 8.183 4.607 3.460 1.00 0.00 H new ATOM 0 HA ARG A 46 7.530 6.954 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.173 4.624 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.621 4.488 6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.397 7.215 6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.407 5.982 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.022 5.467 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.893 7.215 8.441 1.00 0.00 H new ATOM 0 HE ARG A 46 5.607 6.791 9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.595 6.257 10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.194 4.922 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.025 4.422 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.188 3.891 11.801 1.00 0.00 H new ATOM 634 N ILE A 47 9.871 6.793 5.993 1.00 0.00 N ATOM 635 CA ILE A 47 11.320 6.733 6.336 1.00 0.00 C ATOM 636 C ILE A 47 11.517 5.814 7.546 1.00 0.00 C ATOM 637 O ILE A 47 10.675 5.734 8.419 1.00 0.00 O ATOM 638 CB ILE A 47 11.821 8.139 6.670 1.00 0.00 C ATOM 639 CG1 ILE A 47 13.350 8.146 6.692 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.288 8.563 8.041 1.00 0.00 C ATOM 641 CD1 ILE A 47 13.866 9.276 5.799 1.00 0.00 C ATOM 0 H ILE A 47 9.406 7.670 6.229 1.00 0.00 H new ATOM 0 HA ILE A 47 11.882 6.341 5.488 1.00 0.00 H new ATOM 0 HB ILE A 47 11.466 8.838 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.709 8.281 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.734 7.188 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.646 9.565 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.198 8.562 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.639 7.864 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.956 9.282 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.518 9.121 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.493 10.231 6.168 1.00 0.00 H new ATOM 653 N ALA A 48 12.620 5.118 7.604 1.00 0.00 N ATOM 654 CA ALA A 48 12.867 4.202 8.755 1.00 0.00 C ATOM 655 C ALA A 48 13.314 5.010 9.974 1.00 0.00 C ATOM 656 O ALA A 48 14.072 5.955 9.864 1.00 0.00 O ATOM 657 CB ALA A 48 13.966 3.202 8.385 1.00 0.00 C ATOM 0 H ALA A 48 13.361 5.144 6.904 1.00 0.00 H new ATOM 0 HA ALA A 48 11.946 3.668 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.147 2.532 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.652 2.620 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.883 3.741 8.147 1.00 0.00 H new ATOM 663 N ARG A 49 12.859 4.639 11.140 1.00 0.00 N ATOM 664 CA ARG A 49 13.266 5.376 12.367 1.00 0.00 C ATOM 665 C ARG A 49 14.622 4.849 12.837 1.00 0.00 C ATOM 666 O ARG A 49 14.737 3.727 13.285 1.00 0.00 O ATOM 667 CB ARG A 49 12.222 5.152 13.464 1.00 0.00 C ATOM 668 CG ARG A 49 10.898 5.791 13.045 1.00 0.00 C ATOM 669 CD ARG A 49 10.390 6.695 14.169 1.00 0.00 C ATOM 670 NE ARG A 49 8.901 6.645 14.212 1.00 0.00 N ATOM 671 CZ ARG A 49 8.210 7.751 14.170 1.00 0.00 C ATOM 672 NH1 ARG A 49 8.306 8.618 15.141 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.422 7.990 13.157 1.00 0.00 N ATOM 0 H ARG A 49 12.223 3.857 11.294 1.00 0.00 H new ATOM 0 HA ARG A 49 13.340 6.442 12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.084 4.085 13.637 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.566 5.586 14.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.034 6.370 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.162 5.018 12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.803 6.372 15.125 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.726 7.719 14.006 1.00 0.00 H new ATOM 0 HE ARG A 49 8.422 5.746 14.274 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.921 8.431 15.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.766 9.483 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.347 7.312 12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.882 8.855 13.124 1.00 0.00 H new ATOM 687 N GLY A 50 15.651 5.643 12.729 1.00 0.00 N ATOM 688 CA GLY A 50 16.997 5.174 13.161 1.00 0.00 C ATOM 689 C GLY A 50 17.988 5.356 12.012 1.00 0.00 C ATOM 690 O GLY A 50 18.442 6.449 11.735 1.00 0.00 O ATOM 0 H GLY A 50 15.618 6.594 12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.328 5.736 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.952 4.125 13.455 1.00 0.00 H new ATOM 694 N ASP A 51 18.323 4.293 11.338 1.00 0.00 N ATOM 695 CA ASP A 51 19.283 4.397 10.203 1.00 0.00 C ATOM 696 C ASP A 51 19.364 3.051 9.483 1.00 0.00 C ATOM 697 O ASP A 51 20.432 2.515 9.263 1.00 0.00 O ATOM 698 CB ASP A 51 20.663 4.775 10.739 1.00 0.00 C ATOM 699 CG ASP A 51 21.169 3.673 11.671 1.00 0.00 C ATOM 700 OD1 ASP A 51 20.768 3.668 12.823 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.951 2.852 11.217 1.00 0.00 O ATOM 0 H ASP A 51 17.973 3.353 11.524 1.00 0.00 H new ATOM 0 HA ASP A 51 18.943 5.162 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.360 4.915 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.609 5.723 11.275 1.00 0.00 H new ATOM 706 N TRP A 52 18.240 2.497 9.121 1.00 0.00 N ATOM 707 CA TRP A 52 18.245 1.181 8.421 1.00 0.00 C ATOM 708 C TRP A 52 17.344 1.258 7.187 1.00 0.00 C ATOM 709 O TRP A 52 16.932 2.322 6.771 1.00 0.00 O ATOM 710 CB TRP A 52 17.730 0.086 9.365 1.00 0.00 C ATOM 711 CG TRP A 52 16.922 0.694 10.472 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.752 1.351 10.310 1.00 0.00 C ATOM 713 CD2 TRP A 52 17.208 0.716 11.899 1.00 0.00 C ATOM 714 NE1 TRP A 52 15.296 1.768 11.548 1.00 0.00 N ATOM 715 CE2 TRP A 52 16.161 1.402 12.560 1.00 0.00 C ATOM 716 CE3 TRP A 52 18.264 0.213 12.677 1.00 0.00 C ATOM 717 CZ2 TRP A 52 16.162 1.579 13.945 1.00 0.00 C ATOM 718 CZ3 TRP A 52 18.268 0.391 14.071 1.00 0.00 C ATOM 719 CH2 TRP A 52 17.219 1.072 14.703 1.00 0.00 C ATOM 0 H TRP A 52 17.316 2.899 9.280 1.00 0.00 H new ATOM 0 HA TRP A 52 19.263 0.940 8.116 1.00 0.00 H new ATOM 0 HB2 TRP A 52 17.120 -0.626 8.809 1.00 0.00 H new ATOM 0 HB3 TRP A 52 18.570 -0.470 9.781 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.254 1.523 9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 52 14.428 2.283 11.695 1.00 0.00 H new ATOM 0 HE3 TRP A 52 19.078 -0.314 12.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 15.351 2.105 14.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 19.085 0.000 14.659 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.228 1.204 15.775 1.00 0.00 H new ATOM 730 N ASN A 53 17.032 0.134 6.600 1.00 0.00 N ATOM 731 CA ASN A 53 16.156 0.141 5.395 1.00 0.00 C ATOM 732 C ASN A 53 14.883 0.937 5.692 1.00 0.00 C ATOM 733 O ASN A 53 14.341 0.875 6.778 1.00 0.00 O ATOM 734 CB ASN A 53 15.779 -1.298 5.032 1.00 0.00 C ATOM 735 CG ASN A 53 16.766 -1.845 3.999 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.893 -1.396 3.920 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.388 -2.805 3.198 1.00 0.00 N ATOM 0 H ASN A 53 17.346 -0.788 6.903 1.00 0.00 H new ATOM 0 HA ASN A 53 16.688 0.602 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.789 -1.923 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.765 -1.329 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.038 -3.178 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.442 -3.182 3.264 1.00 0.00 H new ATOM 744 N ASP A 54 14.398 1.679 4.735 1.00 0.00 N ATOM 745 CA ASP A 54 13.156 2.473 4.964 1.00 0.00 C ATOM 746 C ASP A 54 11.941 1.619 4.596 1.00 0.00 C ATOM 747 O ASP A 54 12.053 0.431 4.366 1.00 0.00 O ATOM 748 CB ASP A 54 13.176 3.732 4.091 1.00 0.00 C ATOM 749 CG ASP A 54 14.622 4.163 3.836 1.00 0.00 C ATOM 750 OD1 ASP A 54 15.299 4.494 4.795 1.00 0.00 O ATOM 751 OD2 ASP A 54 15.029 4.154 2.685 1.00 0.00 O ATOM 0 H ASP A 54 14.807 1.770 3.805 1.00 0.00 H new ATOM 0 HA ASP A 54 13.100 2.765 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.673 3.537 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.629 4.536 4.583 1.00 0.00 H new ATOM 756 N ASP A 55 10.781 2.212 4.532 1.00 0.00 N ATOM 757 CA ASP A 55 9.565 1.430 4.173 1.00 0.00 C ATOM 758 C ASP A 55 9.336 1.521 2.661 1.00 0.00 C ATOM 759 O ASP A 55 9.074 2.579 2.128 1.00 0.00 O ATOM 760 CB ASP A 55 8.354 2.000 4.915 1.00 0.00 C ATOM 761 CG ASP A 55 8.649 2.042 6.417 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.469 2.850 6.817 1.00 0.00 O ATOM 763 OD2 ASP A 55 8.048 1.264 7.139 1.00 0.00 O ATOM 0 H ASP A 55 10.623 3.203 4.713 1.00 0.00 H new ATOM 0 HA ASP A 55 9.701 0.387 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.129 3.002 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.474 1.386 4.723 1.00 0.00 H new ATOM 768 N ARG A 56 9.445 0.422 1.966 1.00 0.00 N ATOM 769 CA ARG A 56 9.247 0.443 0.487 1.00 0.00 C ATOM 770 C ARG A 56 7.891 -0.186 0.133 1.00 0.00 C ATOM 771 O ARG A 56 7.541 -1.233 0.640 1.00 0.00 O ATOM 772 CB ARG A 56 10.362 -0.371 -0.170 1.00 0.00 C ATOM 773 CG ARG A 56 11.680 0.400 -0.081 1.00 0.00 C ATOM 774 CD ARG A 56 11.636 1.599 -1.029 1.00 0.00 C ATOM 775 NE ARG A 56 12.607 2.630 -0.571 1.00 0.00 N ATOM 776 CZ ARG A 56 13.887 2.425 -0.710 1.00 0.00 C ATOM 777 NH1 ARG A 56 14.420 2.415 -1.901 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.634 2.226 0.341 1.00 0.00 N ATOM 0 H ARG A 56 9.663 -0.493 2.359 1.00 0.00 H new ATOM 0 HA ARG A 56 9.269 1.473 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.460 -1.338 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.115 -0.570 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.847 0.738 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.513 -0.252 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.877 1.283 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.630 2.018 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 56 12.271 3.496 -0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.835 2.568 -2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.421 2.255 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.217 2.231 1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.635 2.066 0.232 1.00 0.00 H new ATOM 792 N CYS A 57 7.127 0.428 -0.740 1.00 0.00 N ATOM 793 CA CYS A 57 5.810 -0.178 -1.110 1.00 0.00 C ATOM 794 C CYS A 57 6.055 -1.409 -1.965 1.00 0.00 C ATOM 795 O CYS A 57 7.078 -1.523 -2.617 1.00 0.00 O ATOM 796 CB CYS A 57 4.958 0.796 -1.922 1.00 0.00 C ATOM 797 SG CYS A 57 4.232 2.032 -0.823 1.00 0.00 S ATOM 0 H CYS A 57 7.354 1.307 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 57 5.284 -0.430 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.570 1.284 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.171 0.255 -2.447 1.00 0.00 H new ATOM 802 N THR A 58 5.113 -2.317 -1.974 1.00 0.00 N ATOM 803 CA THR A 58 5.262 -3.554 -2.791 1.00 0.00 C ATOM 804 C THR A 58 5.084 -3.208 -4.270 1.00 0.00 C ATOM 805 O THR A 58 5.560 -3.905 -5.144 1.00 0.00 O ATOM 806 CB THR A 58 4.198 -4.585 -2.385 1.00 0.00 C ATOM 807 OG1 THR A 58 3.072 -4.461 -3.242 1.00 0.00 O ATOM 808 CG2 THR A 58 3.761 -4.358 -0.936 1.00 0.00 C ATOM 0 H THR A 58 4.242 -2.252 -1.446 1.00 0.00 H new ATOM 0 HA THR A 58 6.253 -3.974 -2.623 1.00 0.00 H new ATOM 0 HB THR A 58 4.623 -5.585 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.392 -5.119 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.007 -5.096 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.623 -4.459 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.342 -3.357 -0.835 1.00 0.00 H new ATOM 816 N GLY A 59 4.401 -2.134 -4.556 1.00 0.00 N ATOM 817 CA GLY A 59 4.190 -1.738 -5.976 1.00 0.00 C ATOM 818 C GLY A 59 2.851 -2.289 -6.471 1.00 0.00 C ATOM 819 O GLY A 59 2.255 -1.765 -7.390 1.00 0.00 O ATOM 0 H GLY A 59 3.979 -1.513 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.203 -0.652 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.002 -2.119 -6.595 1.00 0.00 H new ATOM 823 N GLN A 60 2.371 -3.342 -5.868 1.00 0.00 N ATOM 824 CA GLN A 60 1.070 -3.918 -6.310 1.00 0.00 C ATOM 825 C GLN A 60 0.029 -3.737 -5.204 1.00 0.00 C ATOM 826 O GLN A 60 -1.156 -3.892 -5.424 1.00 0.00 O ATOM 827 CB GLN A 60 1.245 -5.409 -6.606 1.00 0.00 C ATOM 828 CG GLN A 60 2.391 -5.601 -7.601 1.00 0.00 C ATOM 829 CD GLN A 60 1.858 -5.467 -9.028 1.00 0.00 C ATOM 830 OE1 GLN A 60 1.309 -6.404 -9.575 1.00 0.00 O ATOM 831 NE2 GLN A 60 1.998 -4.334 -9.661 1.00 0.00 N ATOM 0 H GLN A 60 2.821 -3.827 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 60 0.735 -3.406 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.455 -5.951 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.322 -5.820 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.170 -4.860 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.846 -6.582 -7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.458 -3.547 -9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.647 -4.235 -10.614 1.00 0.00 H new ATOM 840 N SER A 61 0.459 -3.414 -4.015 1.00 0.00 N ATOM 841 CA SER A 61 -0.511 -3.228 -2.899 1.00 0.00 C ATOM 842 C SER A 61 -0.646 -1.739 -2.576 1.00 0.00 C ATOM 843 O SER A 61 0.250 -0.957 -2.822 1.00 0.00 O ATOM 844 CB SER A 61 -0.012 -3.976 -1.663 1.00 0.00 C ATOM 845 OG SER A 61 -0.858 -3.677 -0.560 1.00 0.00 O ATOM 0 H SER A 61 1.438 -3.271 -3.768 1.00 0.00 H new ATOM 0 HA SER A 61 -1.484 -3.621 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.006 -5.050 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.014 -3.686 -1.438 1.00 0.00 H new ATOM 0 HG SER A 61 -0.542 -4.156 0.234 1.00 0.00 H new ATOM 851 N ALA A 62 -1.759 -1.343 -2.021 1.00 0.00 N ATOM 852 CA ALA A 62 -1.952 0.095 -1.677 1.00 0.00 C ATOM 853 C ALA A 62 -1.366 0.363 -0.291 1.00 0.00 C ATOM 854 O ALA A 62 -0.859 1.432 -0.015 1.00 0.00 O ATOM 855 CB ALA A 62 -3.445 0.426 -1.671 1.00 0.00 C ATOM 0 H ALA A 62 -2.543 -1.953 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.448 0.718 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.584 1.477 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.865 0.231 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.952 -0.194 -0.932 1.00 0.00 H new ATOM 861 N ASP A 63 -1.432 -0.602 0.585 1.00 0.00 N ATOM 862 CA ASP A 63 -0.878 -0.403 1.952 1.00 0.00 C ATOM 863 C ASP A 63 0.617 -0.725 1.943 1.00 0.00 C ATOM 864 O ASP A 63 1.044 -1.739 1.429 1.00 0.00 O ATOM 865 CB ASP A 63 -1.597 -1.330 2.935 1.00 0.00 C ATOM 866 CG ASP A 63 -2.536 -0.508 3.820 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.032 0.502 3.347 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.743 -0.901 4.956 1.00 0.00 O ATOM 0 H ASP A 63 -1.845 -1.518 0.412 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.026 0.632 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.163 -2.086 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.870 -1.858 3.551 1.00 0.00 H new ATOM 873 N CYS A 64 1.412 0.137 2.508 1.00 0.00 N ATOM 874 CA CYS A 64 2.881 -0.102 2.537 1.00 0.00 C ATOM 875 C CYS A 64 3.210 -1.116 3.632 1.00 0.00 C ATOM 876 O CYS A 64 2.706 -1.029 4.734 1.00 0.00 O ATOM 877 CB CYS A 64 3.594 1.235 2.800 1.00 0.00 C ATOM 878 SG CYS A 64 5.209 0.962 3.576 1.00 0.00 S ATOM 0 H CYS A 64 1.106 1.002 2.954 1.00 0.00 H new ATOM 0 HA CYS A 64 3.220 -0.505 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.723 1.774 1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.977 1.861 3.445 1.00 0.00 H new ATOM 883 N PRO A 65 4.066 -2.045 3.286 1.00 0.00 N ATOM 884 CA PRO A 65 4.509 -3.091 4.212 1.00 0.00 C ATOM 885 C PRO A 65 5.563 -2.527 5.171 1.00 0.00 C ATOM 886 O PRO A 65 6.341 -1.665 4.811 1.00 0.00 O ATOM 887 CB PRO A 65 5.127 -4.138 3.289 1.00 0.00 C ATOM 888 CG PRO A 65 5.517 -3.414 1.988 1.00 0.00 C ATOM 889 CD PRO A 65 4.669 -2.139 1.935 1.00 0.00 C ATOM 0 HA PRO A 65 3.707 -3.493 4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.001 -4.594 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.418 -4.941 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.580 -3.174 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.326 -4.045 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.279 -1.264 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.904 -2.202 1.161 1.00 0.00 H new ATOM 897 N ARG A 66 5.604 -3.006 6.384 1.00 0.00 N ATOM 898 CA ARG A 66 6.617 -2.492 7.348 1.00 0.00 C ATOM 899 C ARG A 66 7.963 -3.163 7.069 1.00 0.00 C ATOM 900 O ARG A 66 8.165 -4.320 7.376 1.00 0.00 O ATOM 901 CB ARG A 66 6.175 -2.808 8.779 1.00 0.00 C ATOM 902 CG ARG A 66 7.109 -2.107 9.768 1.00 0.00 C ATOM 903 CD ARG A 66 6.379 -0.931 10.419 1.00 0.00 C ATOM 904 NE ARG A 66 5.614 -0.180 9.382 1.00 0.00 N ATOM 905 CZ ARG A 66 4.618 0.585 9.734 1.00 0.00 C ATOM 906 NH1 ARG A 66 4.490 0.958 10.979 1.00 0.00 N ATOM 907 NH2 ARG A 66 3.750 0.978 8.844 1.00 0.00 N ATOM 0 H ARG A 66 4.982 -3.728 6.748 1.00 0.00 H new ATOM 0 HA ARG A 66 6.714 -1.412 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.148 -2.477 8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.192 -3.885 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.440 -2.810 10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.002 -1.753 9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.702 -1.294 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.096 -0.270 10.906 1.00 0.00 H new ATOM 0 HE ARG A 66 5.870 -0.265 8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.169 0.651 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.711 1.556 11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.849 0.687 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.971 1.576 9.120 1.00 0.00 H new ATOM 921 N ASN A 67 8.886 -2.448 6.486 1.00 0.00 N ATOM 922 CA ASN A 67 10.215 -3.052 6.186 1.00 0.00 C ATOM 923 C ASN A 67 11.210 -2.692 7.294 1.00 0.00 C ATOM 924 O ASN A 67 12.350 -3.109 7.274 1.00 0.00 O ATOM 925 CB ASN A 67 10.730 -2.519 4.847 1.00 0.00 C ATOM 926 CG ASN A 67 11.980 -3.299 4.433 1.00 0.00 C ATOM 927 OD1 ASN A 67 13.083 -2.802 4.537 1.00 0.00 O ATOM 928 ND2 ASN A 67 11.852 -4.510 3.963 1.00 0.00 N ATOM 0 H ASN A 67 8.778 -1.474 6.205 1.00 0.00 H new ATOM 0 HA ASN A 67 10.112 -4.136 6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.958 -2.617 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.962 -1.457 4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.678 -5.038 3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.926 -4.928 3.876 1.00 0.00 H new ATOM 935 N GLY A 68 10.787 -1.921 8.259 1.00 0.00 N ATOM 936 CA GLY A 68 11.712 -1.540 9.365 1.00 0.00 C ATOM 937 C GLY A 68 12.037 -2.776 10.207 1.00 0.00 C ATOM 938 O GLY A 68 11.589 -3.868 9.922 1.00 0.00 O ATOM 0 H GLY A 68 9.844 -1.539 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.628 -1.114 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.254 -0.772 9.988 1.00 0.00 H new