USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 447 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 22 SER OG : rot -50:sc= 0.0998 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.0949 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.0623 X(o=0.78,f=0.39) USER MOD Set 2.2: A 9 THR OG1 : rot -90:sc= 0.846 USER MOD Set 3.1: A 4 THR OG1 : rot 170:sc= 0.897 USER MOD Set 3.2: A 39 GLN : amide:sc= 1.12 X(o=2,f=1.7) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.564 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.231 USER MOD Single : A 3 THR OG1 : rot 110:sc= -0.572 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 1.23 (180deg=-0.308) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 26 SER OG : rot 94:sc= 1.45 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 38 SER OG : rot -150:sc= 0.0617 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0.195!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.11) USER MOD Single : A 52 THR OG1 : rot -93:sc= 1.31 USER MOD Single : A 53 ASN : amide:sc= -1.51! C(o=-1.5!,f=-7.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 56 ASN : amide:sc= 0.0313 K(o=0.031,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.121 USER MOD Single : A 62 ASN : amide:sc= -0.377 K(o=-0.38,f=-2) USER MOD Single : A 65 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.613 17.007 -4.750 1.00 0.00 N ATOM 2 CA SER A 1 -0.573 15.928 -5.757 1.00 0.00 C ATOM 3 C SER A 1 0.039 14.656 -5.168 1.00 0.00 C ATOM 4 O SER A 1 -0.673 13.823 -4.602 1.00 0.00 O ATOM 5 CB SER A 1 0.214 16.395 -6.982 1.00 0.00 C ATOM 6 OG SER A 1 0.604 17.755 -6.856 1.00 0.00 O ATOM 0 H1 SER A 1 -1.602 17.256 -4.547 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.152 16.683 -3.876 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.114 17.842 -5.116 1.00 0.00 H new ATOM 0 HA SER A 1 -1.593 15.693 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.099 15.771 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.395 16.270 -7.878 1.00 0.00 H new ATOM 0 HG SER A 1 1.107 18.026 -7.652 1.00 0.00 H new ATOM 14 N ALA A 2 1.356 14.507 -5.284 1.00 0.00 N ATOM 15 CA ALA A 2 2.035 13.318 -4.790 1.00 0.00 C ATOM 16 C ALA A 2 2.903 13.644 -3.581 1.00 0.00 C ATOM 17 O ALA A 2 3.323 14.788 -3.402 1.00 0.00 O ATOM 18 CB ALA A 2 2.877 12.693 -5.890 1.00 0.00 C ATOM 0 H ALA A 2 1.972 15.196 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 2 1.275 12.602 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.378 11.805 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.235 12.413 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.623 13.412 -6.230 1.00 0.00 H new ATOM 24 N THR A 3 3.158 12.642 -2.751 1.00 0.00 N ATOM 25 CA THR A 3 3.981 12.817 -1.564 1.00 0.00 C ATOM 26 C THR A 3 5.429 12.388 -1.805 1.00 0.00 C ATOM 27 O THR A 3 6.346 12.901 -1.162 1.00 0.00 O ATOM 28 CB THR A 3 3.410 12.011 -0.386 1.00 0.00 C ATOM 29 OG1 THR A 3 2.417 11.097 -0.869 1.00 0.00 O ATOM 30 CG2 THR A 3 2.791 12.930 0.656 1.00 0.00 C ATOM 0 H THR A 3 2.804 11.694 -2.880 1.00 0.00 H new ATOM 0 HA THR A 3 3.970 13.881 -1.326 1.00 0.00 H new ATOM 0 HB THR A 3 4.226 11.461 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.756 10.180 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.395 12.334 1.478 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.551 13.613 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.983 13.503 0.202 1.00 0.00 H new ATOM 38 N THR A 4 5.618 11.454 -2.740 1.00 0.00 N ATOM 39 CA THR A 4 6.937 10.877 -3.013 1.00 0.00 C ATOM 40 C THR A 4 7.496 10.186 -1.767 1.00 0.00 C ATOM 41 O THR A 4 8.169 10.808 -0.945 1.00 0.00 O ATOM 42 CB THR A 4 7.936 11.944 -3.507 1.00 0.00 C ATOM 43 OG1 THR A 4 7.264 12.884 -4.358 1.00 0.00 O ATOM 44 CG2 THR A 4 9.087 11.301 -4.267 1.00 0.00 C ATOM 0 H THR A 4 4.870 11.079 -3.324 1.00 0.00 H new ATOM 0 HA THR A 4 6.806 10.139 -3.805 1.00 0.00 H new ATOM 0 HB THR A 4 8.341 12.461 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.856 13.644 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.777 12.074 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.613 10.606 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.697 10.761 -5.130 1.00 0.00 H new ATOM 52 N ILE A 5 7.209 8.898 -1.635 1.00 0.00 N ATOM 53 CA ILE A 5 7.584 8.161 -0.436 1.00 0.00 C ATOM 54 C ILE A 5 9.012 7.621 -0.528 1.00 0.00 C ATOM 55 O ILE A 5 9.575 7.483 -1.619 1.00 0.00 O ATOM 56 CB ILE A 5 6.602 6.997 -0.141 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.056 5.699 -0.810 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.191 7.351 -0.584 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.153 4.536 0.152 1.00 0.00 C ATOM 0 H ILE A 5 6.721 8.345 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 5 7.533 8.872 0.389 1.00 0.00 H new ATOM 0 HB ILE A 5 6.600 6.839 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.358 5.445 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.028 5.859 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.522 6.519 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.853 8.238 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.185 7.550 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.480 3.646 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.873 4.771 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.176 4.352 0.599 1.00 0.00 H new ATOM 71 N GLY A 6 9.582 7.316 0.628 1.00 0.00 N ATOM 72 CA GLY A 6 10.921 6.776 0.693 1.00 0.00 C ATOM 73 C GLY A 6 11.196 6.167 2.050 1.00 0.00 C ATOM 74 O GLY A 6 10.259 5.795 2.756 1.00 0.00 O ATOM 0 H GLY A 6 9.131 7.436 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.050 6.020 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.645 7.565 0.491 1.00 0.00 H new ATOM 78 N PRO A 7 12.468 6.079 2.465 1.00 0.00 N ATOM 79 CA PRO A 7 12.849 5.511 3.756 1.00 0.00 C ATOM 80 C PRO A 7 12.644 6.509 4.894 1.00 0.00 C ATOM 81 O PRO A 7 13.553 6.767 5.689 1.00 0.00 O ATOM 82 CB PRO A 7 14.344 5.182 3.589 1.00 0.00 C ATOM 83 CG PRO A 7 14.720 5.609 2.201 1.00 0.00 C ATOM 84 CD PRO A 7 13.640 6.536 1.720 1.00 0.00 C ATOM 0 HA PRO A 7 12.245 4.642 4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.943 5.708 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.525 4.116 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.688 6.111 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 7 14.809 4.745 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.876 7.578 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.490 6.459 0.643 1.00 0.00 H new ATOM 92 N ASN A 8 11.443 7.071 4.957 1.00 0.00 N ATOM 93 CA ASN A 8 11.130 8.106 5.933 1.00 0.00 C ATOM 94 C ASN A 8 9.620 8.247 6.127 1.00 0.00 C ATOM 95 O ASN A 8 9.167 8.809 7.122 1.00 0.00 O ATOM 96 CB ASN A 8 11.744 9.447 5.480 1.00 0.00 C ATOM 97 CG ASN A 8 10.720 10.530 5.170 1.00 0.00 C ATOM 98 OD1 ASN A 8 9.922 10.411 4.236 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.746 11.598 5.948 1.00 0.00 N ATOM 0 H ASN A 8 10.668 6.826 4.341 1.00 0.00 H new ATOM 0 HA ASN A 8 11.560 7.818 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.414 9.809 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.353 9.274 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.090 12.363 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.422 11.658 6.710 1.00 0.00 H new ATOM 106 N THR A 9 8.849 7.703 5.200 1.00 0.00 N ATOM 107 CA THR A 9 7.414 7.938 5.173 1.00 0.00 C ATOM 108 C THR A 9 6.660 7.086 6.193 1.00 0.00 C ATOM 109 O THR A 9 5.659 7.529 6.754 1.00 0.00 O ATOM 110 CB THR A 9 6.866 7.676 3.764 1.00 0.00 C ATOM 111 OG1 THR A 9 7.890 7.977 2.803 1.00 0.00 O ATOM 112 CG2 THR A 9 5.634 8.527 3.486 1.00 0.00 C ATOM 0 H THR A 9 9.192 7.096 4.456 1.00 0.00 H new ATOM 0 HA THR A 9 7.254 8.981 5.445 1.00 0.00 H new ATOM 0 HB THR A 9 6.575 6.628 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.823 8.918 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.268 8.320 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.856 8.289 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.895 9.582 3.567 1.00 0.00 H new ATOM 120 N CYS A 10 7.134 5.876 6.441 1.00 0.00 N ATOM 121 CA CYS A 10 6.479 5.002 7.405 1.00 0.00 C ATOM 122 C CYS A 10 7.378 4.746 8.605 1.00 0.00 C ATOM 123 O CYS A 10 8.581 4.521 8.459 1.00 0.00 O ATOM 124 CB CYS A 10 6.085 3.673 6.755 1.00 0.00 C ATOM 125 SG CYS A 10 4.656 2.858 7.546 1.00 0.00 S ATOM 0 H CYS A 10 7.960 5.478 5.995 1.00 0.00 H new ATOM 0 HA CYS A 10 5.575 5.506 7.748 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.855 3.848 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.940 2.997 6.786 1.00 0.00 H new ATOM 130 N SER A 11 6.794 4.816 9.793 1.00 0.00 N ATOM 131 CA SER A 11 7.506 4.510 11.024 1.00 0.00 C ATOM 132 C SER A 11 6.586 3.767 11.988 1.00 0.00 C ATOM 133 O SER A 11 6.860 3.676 13.187 1.00 0.00 O ATOM 134 CB SER A 11 8.010 5.803 11.673 1.00 0.00 C ATOM 135 OG SER A 11 7.755 6.925 10.840 1.00 0.00 O ATOM 0 H SER A 11 5.820 5.085 9.930 1.00 0.00 H new ATOM 0 HA SER A 11 8.360 3.875 10.790 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.522 5.944 12.638 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.080 5.724 11.865 1.00 0.00 H new ATOM 0 HG SER A 11 8.084 7.738 11.277 1.00 0.00 H new ATOM 141 N ILE A 12 5.494 3.229 11.455 1.00 0.00 N ATOM 142 CA ILE A 12 4.477 2.594 12.280 1.00 0.00 C ATOM 143 C ILE A 12 4.716 1.096 12.413 1.00 0.00 C ATOM 144 O ILE A 12 4.348 0.317 11.532 1.00 0.00 O ATOM 145 CB ILE A 12 3.059 2.833 11.716 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.875 4.310 11.351 1.00 0.00 C ATOM 147 CG2 ILE A 12 2.002 2.401 12.726 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.291 4.530 9.974 1.00 0.00 C ATOM 0 H ILE A 12 5.292 3.221 10.455 1.00 0.00 H new ATOM 0 HA ILE A 12 4.550 3.053 13.266 1.00 0.00 H new ATOM 0 HB ILE A 12 2.940 2.233 10.814 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.226 4.779 12.090 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.841 4.812 11.411 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.009 2.577 12.311 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.121 1.340 12.946 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.119 2.977 13.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.191 5.599 9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.950 4.092 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.310 4.058 9.915 1.00 0.00 H new ATOM 160 N ASP A 13 5.352 0.710 13.517 1.00 0.00 N ATOM 161 CA ASP A 13 5.551 -0.698 13.867 1.00 0.00 C ATOM 162 C ASP A 13 6.227 -1.473 12.735 1.00 0.00 C ATOM 163 O ASP A 13 7.174 -0.986 12.114 1.00 0.00 O ATOM 164 CB ASP A 13 4.210 -1.345 14.231 1.00 0.00 C ATOM 165 CG ASP A 13 4.289 -2.209 15.475 1.00 0.00 C ATOM 166 OD1 ASP A 13 5.257 -2.057 16.251 1.00 0.00 O ATOM 167 OD2 ASP A 13 3.376 -3.036 15.683 1.00 0.00 O ATOM 0 H ASP A 13 5.745 1.363 14.195 1.00 0.00 H new ATOM 0 HA ASP A 13 6.214 -0.736 14.731 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.465 -0.564 14.384 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.867 -1.953 13.394 1.00 0.00 H new ATOM 172 N ASP A 14 5.727 -2.673 12.461 1.00 0.00 N ATOM 173 CA ASP A 14 6.314 -3.540 11.447 1.00 0.00 C ATOM 174 C ASP A 14 5.539 -3.442 10.130 1.00 0.00 C ATOM 175 O ASP A 14 5.734 -4.239 9.206 1.00 0.00 O ATOM 176 CB ASP A 14 6.381 -4.989 11.967 1.00 0.00 C ATOM 177 CG ASP A 14 5.246 -5.878 11.488 1.00 0.00 C ATOM 178 OD1 ASP A 14 4.113 -5.728 11.985 1.00 0.00 O ATOM 179 OD2 ASP A 14 5.495 -6.755 10.632 1.00 0.00 O ATOM 0 H ASP A 14 4.912 -3.069 12.930 1.00 0.00 H new ATOM 0 HA ASP A 14 7.332 -3.209 11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.328 -5.430 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.379 -4.972 13.057 1.00 0.00 H new ATOM 184 N TYR A 15 4.692 -2.425 10.033 1.00 0.00 N ATOM 185 CA TYR A 15 3.903 -2.199 8.831 1.00 0.00 C ATOM 186 C TYR A 15 4.760 -1.524 7.764 1.00 0.00 C ATOM 187 O TYR A 15 5.755 -0.866 8.078 1.00 0.00 O ATOM 188 CB TYR A 15 2.674 -1.339 9.151 1.00 0.00 C ATOM 189 CG TYR A 15 1.789 -1.920 10.238 1.00 0.00 C ATOM 190 CD1 TYR A 15 2.071 -1.697 11.578 1.00 0.00 C ATOM 191 CD2 TYR A 15 0.681 -2.698 9.927 1.00 0.00 C ATOM 192 CE1 TYR A 15 1.277 -2.223 12.577 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.120 -3.231 10.923 1.00 0.00 C ATOM 194 CZ TYR A 15 0.186 -2.992 12.246 1.00 0.00 C ATOM 195 OH TYR A 15 -0.601 -3.518 13.243 1.00 0.00 O ATOM 0 H TYR A 15 4.534 -1.743 10.775 1.00 0.00 H new ATOM 0 HA TYR A 15 3.560 -3.161 8.451 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.006 -0.347 9.457 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.084 -1.212 8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.930 -1.099 11.845 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.440 -2.890 8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.511 -2.032 13.614 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.980 -3.831 10.665 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.332 -4.036 12.844 1.00 0.00 H new ATOM 205 N LYS A 16 4.379 -1.696 6.511 1.00 0.00 N ATOM 206 CA LYS A 16 5.153 -1.170 5.396 1.00 0.00 C ATOM 207 C LYS A 16 4.332 -0.149 4.618 1.00 0.00 C ATOM 208 O LYS A 16 3.101 -0.198 4.632 1.00 0.00 O ATOM 209 CB LYS A 16 5.592 -2.308 4.461 1.00 0.00 C ATOM 210 CG LYS A 16 5.235 -3.701 4.959 1.00 0.00 C ATOM 211 CD LYS A 16 6.412 -4.653 4.843 1.00 0.00 C ATOM 212 CE LYS A 16 7.179 -4.746 6.152 1.00 0.00 C ATOM 213 NZ LYS A 16 6.610 -5.772 7.066 1.00 0.00 N ATOM 0 H LYS A 16 3.534 -2.198 6.237 1.00 0.00 H new ATOM 0 HA LYS A 16 6.042 -0.681 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.134 -2.156 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.671 -2.251 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.912 -3.645 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.394 -4.089 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.055 -5.642 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.080 -4.314 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.222 -4.986 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.168 -3.775 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.144 -5.302 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.915 -6.349 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.373 -6.384 7.419 1.00 0.00 H new ATOM 227 N PRO A 17 4.997 0.788 3.924 1.00 0.00 N ATOM 228 CA PRO A 17 4.323 1.816 3.145 1.00 0.00 C ATOM 229 C PRO A 17 3.832 1.280 1.805 1.00 0.00 C ATOM 230 O PRO A 17 4.555 0.569 1.097 1.00 0.00 O ATOM 231 CB PRO A 17 5.400 2.889 2.921 1.00 0.00 C ATOM 232 CG PRO A 17 6.638 2.399 3.607 1.00 0.00 C ATOM 233 CD PRO A 17 6.454 0.928 3.850 1.00 0.00 C ATOM 0 HA PRO A 17 3.439 2.194 3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.581 3.041 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.083 3.848 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.518 2.581 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.793 2.929 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.877 0.329 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.938 0.607 4.772 1.00 0.00 H new ATOM 241 N TYR A 18 2.597 1.605 1.464 1.00 0.00 N ATOM 242 CA TYR A 18 2.007 1.152 0.219 1.00 0.00 C ATOM 243 C TYR A 18 1.282 2.293 -0.474 1.00 0.00 C ATOM 244 O TYR A 18 0.711 3.172 0.178 1.00 0.00 O ATOM 245 CB TYR A 18 1.032 0.003 0.483 1.00 0.00 C ATOM 246 CG TYR A 18 1.708 -1.289 0.879 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.422 -2.032 -0.049 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.643 -1.760 2.185 1.00 0.00 C ATOM 249 CE1 TYR A 18 3.045 -3.212 0.307 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.263 -2.939 2.549 1.00 0.00 C ATOM 251 CZ TYR A 18 2.965 -3.657 1.609 1.00 0.00 C ATOM 252 OH TYR A 18 3.587 -4.829 1.972 1.00 0.00 O ATOM 0 H TYR A 18 1.982 2.184 2.036 1.00 0.00 H new ATOM 0 HA TYR A 18 2.807 0.799 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.342 0.298 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.436 -0.169 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.492 -1.682 -1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.099 -1.195 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.591 -3.782 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.197 -3.295 3.566 1.00 0.00 H new ATOM 0 HH TYR A 18 4.379 -4.966 1.411 1.00 0.00 H new ATOM 262 N CYS A 19 1.300 2.271 -1.795 1.00 0.00 N ATOM 263 CA CYS A 19 0.583 3.259 -2.580 1.00 0.00 C ATOM 264 C CYS A 19 -0.893 2.887 -2.634 1.00 0.00 C ATOM 265 O CYS A 19 -1.400 2.444 -3.661 1.00 0.00 O ATOM 266 CB CYS A 19 1.164 3.351 -3.992 1.00 0.00 C ATOM 267 SG CYS A 19 1.611 5.043 -4.496 1.00 0.00 S ATOM 0 H CYS A 19 1.805 1.578 -2.347 1.00 0.00 H new ATOM 0 HA CYS A 19 0.691 4.236 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.050 2.718 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.438 2.951 -4.700 1.00 0.00 H new ATOM 272 N CYS A 20 -1.564 3.048 -1.504 1.00 0.00 N ATOM 273 CA CYS A 20 -2.956 2.657 -1.373 1.00 0.00 C ATOM 274 C CYS A 20 -3.879 3.723 -1.933 1.00 0.00 C ATOM 275 O CYS A 20 -3.729 4.910 -1.633 1.00 0.00 O ATOM 276 CB CYS A 20 -3.291 2.396 0.095 1.00 0.00 C ATOM 277 SG CYS A 20 -2.587 0.849 0.747 1.00 0.00 S ATOM 0 H CYS A 20 -1.161 3.451 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.106 1.742 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.927 3.230 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.374 2.368 0.211 1.00 0.00 H new ATOM 282 N GLN A 21 -4.813 3.290 -2.760 1.00 0.00 N ATOM 283 CA GLN A 21 -5.837 4.171 -3.285 1.00 0.00 C ATOM 284 C GLN A 21 -7.118 3.988 -2.481 1.00 0.00 C ATOM 285 O GLN A 21 -7.253 3.018 -1.729 1.00 0.00 O ATOM 286 CB GLN A 21 -6.095 3.885 -4.769 1.00 0.00 C ATOM 287 CG GLN A 21 -4.899 3.300 -5.504 1.00 0.00 C ATOM 288 CD GLN A 21 -4.102 4.348 -6.258 1.00 0.00 C ATOM 289 OE1 GLN A 21 -3.191 4.971 -5.711 1.00 0.00 O ATOM 290 NE2 GLN A 21 -4.438 4.556 -7.522 1.00 0.00 N ATOM 0 H GLN A 21 -4.882 2.325 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.496 5.202 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.934 3.195 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.393 4.811 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.247 2.800 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.245 2.540 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.198 4.021 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.937 5.251 -8.075 1.00 0.00 H new ATOM 299 N SER A 22 -8.047 4.914 -2.628 1.00 0.00 N ATOM 300 CA SER A 22 -9.310 4.840 -1.914 1.00 0.00 C ATOM 301 C SER A 22 -10.319 4.012 -2.704 1.00 0.00 C ATOM 302 O SER A 22 -10.939 4.503 -3.652 1.00 0.00 O ATOM 303 CB SER A 22 -9.837 6.253 -1.670 1.00 0.00 C ATOM 304 OG SER A 22 -8.766 7.187 -1.644 1.00 0.00 O ATOM 0 H SER A 22 -7.952 5.728 -3.236 1.00 0.00 H new ATOM 0 HA SER A 22 -9.155 4.350 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.544 6.524 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.380 6.287 -0.725 1.00 0.00 H new ATOM 0 HG SER A 22 -8.069 6.868 -1.034 1.00 0.00 H new ATOM 310 N MET A 23 -10.471 2.753 -2.314 1.00 0.00 N ATOM 311 CA MET A 23 -11.351 1.833 -3.019 1.00 0.00 C ATOM 312 C MET A 23 -12.767 1.922 -2.473 1.00 0.00 C ATOM 313 O MET A 23 -13.057 1.424 -1.385 1.00 0.00 O ATOM 314 CB MET A 23 -10.834 0.399 -2.896 1.00 0.00 C ATOM 315 CG MET A 23 -10.367 -0.194 -4.215 1.00 0.00 C ATOM 316 SD MET A 23 -11.022 -1.847 -4.515 1.00 0.00 S ATOM 317 CE MET A 23 -10.037 -2.338 -5.928 1.00 0.00 C ATOM 0 H MET A 23 -9.994 2.345 -1.510 1.00 0.00 H new ATOM 0 HA MET A 23 -11.364 2.114 -4.072 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.008 0.379 -2.185 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.624 -0.229 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.669 0.464 -5.030 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.278 -0.234 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.322 -3.343 -6.238 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.208 -1.643 -6.750 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.981 -2.327 -5.657 1.00 0.00 H new ATOM 327 N SER A 24 -13.641 2.568 -3.226 1.00 0.00 N ATOM 328 CA SER A 24 -15.030 2.716 -2.823 1.00 0.00 C ATOM 329 C SER A 24 -15.856 1.503 -3.243 1.00 0.00 C ATOM 330 O SER A 24 -16.889 1.206 -2.644 1.00 0.00 O ATOM 331 CB SER A 24 -15.613 3.990 -3.433 1.00 0.00 C ATOM 332 OG SER A 24 -14.585 4.810 -3.970 1.00 0.00 O ATOM 0 H SER A 24 -13.413 2.999 -4.122 1.00 0.00 H new ATOM 0 HA SER A 24 -15.067 2.788 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.324 3.730 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.165 4.543 -2.673 1.00 0.00 H new ATOM 0 HG SER A 24 -14.980 5.619 -4.357 1.00 0.00 H new ATOM 338 N GLY A 25 -15.390 0.804 -4.271 1.00 0.00 N ATOM 339 CA GLY A 25 -16.110 -0.351 -4.771 1.00 0.00 C ATOM 340 C GLY A 25 -16.059 -1.523 -3.809 1.00 0.00 C ATOM 341 O GLY A 25 -17.089 -1.956 -3.286 1.00 0.00 O ATOM 0 H GLY A 25 -14.525 1.017 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.150 -0.078 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.688 -0.652 -5.730 1.00 0.00 H new ATOM 345 N SER A 26 -14.862 -2.026 -3.561 1.00 0.00 N ATOM 346 CA SER A 26 -14.681 -3.167 -2.679 1.00 0.00 C ATOM 347 C SER A 26 -14.022 -2.740 -1.375 1.00 0.00 C ATOM 348 O SER A 26 -13.211 -1.813 -1.353 1.00 0.00 O ATOM 349 CB SER A 26 -13.827 -4.231 -3.376 1.00 0.00 C ATOM 350 OG SER A 26 -13.407 -3.784 -4.658 1.00 0.00 O ATOM 0 H SER A 26 -13.997 -1.661 -3.960 1.00 0.00 H new ATOM 0 HA SER A 26 -15.660 -3.587 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.956 -4.462 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.399 -5.153 -3.477 1.00 0.00 H new ATOM 0 HG SER A 26 -12.520 -3.373 -4.587 1.00 0.00 H new ATOM 356 N ALA A 27 -14.374 -3.415 -0.288 1.00 0.00 N ATOM 357 CA ALA A 27 -13.752 -3.156 1.003 1.00 0.00 C ATOM 358 C ALA A 27 -12.413 -3.878 1.091 1.00 0.00 C ATOM 359 O ALA A 27 -12.197 -4.730 1.955 1.00 0.00 O ATOM 360 CB ALA A 27 -14.669 -3.585 2.136 1.00 0.00 C ATOM 0 H ALA A 27 -15.086 -4.145 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.578 -2.084 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.185 -3.383 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.604 -3.028 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.876 -4.652 2.052 1.00 0.00 H new ATOM 366 N SER A 28 -11.533 -3.547 0.164 1.00 0.00 N ATOM 367 CA SER A 28 -10.212 -4.142 0.091 1.00 0.00 C ATOM 368 C SER A 28 -9.223 -3.082 -0.371 1.00 0.00 C ATOM 369 O SER A 28 -9.570 -2.213 -1.170 1.00 0.00 O ATOM 370 CB SER A 28 -10.222 -5.336 -0.869 1.00 0.00 C ATOM 371 OG SER A 28 -11.451 -6.044 -0.785 1.00 0.00 O ATOM 0 H SER A 28 -11.716 -2.855 -0.563 1.00 0.00 H new ATOM 0 HA SER A 28 -9.914 -4.508 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.067 -4.988 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.395 -6.005 -0.632 1.00 0.00 H new ATOM 0 HG SER A 28 -11.436 -6.801 -1.407 1.00 0.00 H new ATOM 377 N LEU A 29 -8.004 -3.143 0.132 1.00 0.00 N ATOM 378 CA LEU A 29 -7.032 -2.098 -0.134 1.00 0.00 C ATOM 379 C LEU A 29 -6.255 -2.379 -1.411 1.00 0.00 C ATOM 380 O LEU A 29 -5.291 -3.144 -1.413 1.00 0.00 O ATOM 381 CB LEU A 29 -6.082 -1.944 1.056 1.00 0.00 C ATOM 382 CG LEU A 29 -6.448 -0.826 2.037 1.00 0.00 C ATOM 383 CD1 LEU A 29 -6.380 0.531 1.346 1.00 0.00 C ATOM 384 CD2 LEU A 29 -7.834 -1.055 2.620 1.00 0.00 C ATOM 0 H LEU A 29 -7.664 -3.901 0.724 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.571 -1.161 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.050 -2.888 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.077 -1.760 0.677 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.726 -0.837 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.643 1.315 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.369 0.701 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.080 0.549 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.074 -0.250 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.569 -1.072 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.853 -2.008 3.149 1.00 0.00 H new ATOM 396 N GLY A 30 -6.698 -1.771 -2.501 1.00 0.00 N ATOM 397 CA GLY A 30 -5.990 -1.895 -3.758 1.00 0.00 C ATOM 398 C GLY A 30 -4.769 -1.003 -3.795 1.00 0.00 C ATOM 399 O GLY A 30 -4.843 0.147 -4.231 1.00 0.00 O ATOM 0 H GLY A 30 -7.537 -1.193 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.689 -2.932 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.657 -1.635 -4.580 1.00 0.00 H new ATOM 403 N CYS A 31 -3.652 -1.522 -3.314 1.00 0.00 N ATOM 404 CA CYS A 31 -2.423 -0.751 -3.237 1.00 0.00 C ATOM 405 C CYS A 31 -1.332 -1.367 -4.103 1.00 0.00 C ATOM 406 O CYS A 31 -1.551 -2.358 -4.795 1.00 0.00 O ATOM 407 CB CYS A 31 -1.935 -0.679 -1.788 1.00 0.00 C ATOM 408 SG CYS A 31 -3.265 -0.555 -0.548 1.00 0.00 S ATOM 0 H CYS A 31 -3.571 -2.479 -2.969 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.637 0.253 -3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.338 -1.566 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.276 0.182 -1.682 1.00 0.00 H new ATOM 413 N VAL A 32 -0.165 -0.750 -4.070 1.00 0.00 N ATOM 414 CA VAL A 32 1.023 -1.294 -4.704 1.00 0.00 C ATOM 415 C VAL A 32 2.219 -0.992 -3.809 1.00 0.00 C ATOM 416 O VAL A 32 2.216 0.024 -3.105 1.00 0.00 O ATOM 417 CB VAL A 32 1.223 -0.726 -6.140 1.00 0.00 C ATOM 418 CG1 VAL A 32 0.587 0.649 -6.289 1.00 0.00 C ATOM 419 CG2 VAL A 32 2.692 -0.673 -6.535 1.00 0.00 C ATOM 0 H VAL A 32 -0.014 0.144 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 32 0.914 -2.372 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 32 0.720 -1.415 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.746 1.015 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.483 0.578 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.042 1.339 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.783 -0.270 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.233 -0.033 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.113 -1.678 -6.506 1.00 0.00 H new ATOM 429 N VAL A 33 3.201 -1.892 -3.794 1.00 0.00 N ATOM 430 CA VAL A 33 4.368 -1.757 -2.926 1.00 0.00 C ATOM 431 C VAL A 33 5.019 -0.385 -3.065 1.00 0.00 C ATOM 432 O VAL A 33 5.543 -0.036 -4.123 1.00 0.00 O ATOM 433 CB VAL A 33 5.426 -2.843 -3.219 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.440 -2.923 -2.087 1.00 0.00 C ATOM 435 CG2 VAL A 33 4.767 -4.196 -3.449 1.00 0.00 C ATOM 0 H VAL A 33 3.210 -2.728 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 33 4.003 -1.878 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 33 5.953 -2.565 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.177 -3.694 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.942 -1.961 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.928 -3.171 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.533 -4.944 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.207 -4.484 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.088 -4.130 -4.299 1.00 0.00 H new ATOM 445 N GLY A 34 4.967 0.391 -1.990 1.00 0.00 N ATOM 446 CA GLY A 34 5.589 1.693 -1.986 1.00 0.00 C ATOM 447 C GLY A 34 7.072 1.591 -1.719 1.00 0.00 C ATOM 448 O GLY A 34 7.491 1.366 -0.584 1.00 0.00 O ATOM 0 H GLY A 34 4.502 0.137 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.423 2.181 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.122 2.319 -1.225 1.00 0.00 H new ATOM 452 N VAL A 35 7.864 1.732 -2.762 1.00 0.00 N ATOM 453 CA VAL A 35 9.309 1.655 -2.634 1.00 0.00 C ATOM 454 C VAL A 35 9.913 3.049 -2.663 1.00 0.00 C ATOM 455 O VAL A 35 9.200 4.039 -2.843 1.00 0.00 O ATOM 456 CB VAL A 35 9.943 0.796 -3.750 1.00 0.00 C ATOM 457 CG1 VAL A 35 9.776 -0.684 -3.441 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.340 1.135 -5.107 1.00 0.00 C ATOM 0 H VAL A 35 7.532 1.901 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 35 9.524 1.178 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 35 11.009 1.022 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.228 -1.275 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.265 -0.916 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.715 -0.923 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.803 0.517 -5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.267 0.945 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.518 2.187 -5.332 1.00 0.00 H new ATOM 468 N ILE A 36 11.220 3.130 -2.479 1.00 0.00 N ATOM 469 CA ILE A 36 11.902 4.409 -2.487 1.00 0.00 C ATOM 470 C ILE A 36 11.765 5.075 -3.852 1.00 0.00 C ATOM 471 O ILE A 36 12.258 4.566 -4.861 1.00 0.00 O ATOM 472 CB ILE A 36 13.391 4.256 -2.125 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.538 3.546 -0.774 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.070 5.618 -2.087 1.00 0.00 C ATOM 475 CD1 ILE A 36 14.949 3.086 -0.478 1.00 0.00 C ATOM 0 H ILE A 36 11.827 2.326 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 36 11.432 5.038 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 36 13.876 3.650 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.212 4.220 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.872 2.683 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.122 5.493 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.989 6.092 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.586 6.245 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.975 2.593 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.273 2.386 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.617 3.947 -0.466 1.00 0.00 H new ATOM 487 N GLY A 37 11.063 6.195 -3.877 1.00 0.00 N ATOM 488 CA GLY A 37 10.871 6.920 -5.113 1.00 0.00 C ATOM 489 C GLY A 37 9.437 6.879 -5.593 1.00 0.00 C ATOM 490 O GLY A 37 9.086 7.551 -6.562 1.00 0.00 O ATOM 0 H GLY A 37 10.621 6.617 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.174 7.958 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.520 6.500 -5.881 1.00 0.00 H new ATOM 494 N SER A 38 8.604 6.093 -4.917 1.00 0.00 N ATOM 495 CA SER A 38 7.200 5.974 -5.288 1.00 0.00 C ATOM 496 C SER A 38 6.457 7.282 -5.020 1.00 0.00 C ATOM 497 O SER A 38 6.205 7.648 -3.870 1.00 0.00 O ATOM 498 CB SER A 38 6.545 4.819 -4.523 1.00 0.00 C ATOM 499 OG SER A 38 6.888 3.567 -5.101 1.00 0.00 O ATOM 0 H SER A 38 8.877 5.531 -4.111 1.00 0.00 H new ATOM 0 HA SER A 38 7.143 5.763 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.863 4.842 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.462 4.942 -4.529 1.00 0.00 H new ATOM 0 HG SER A 38 6.158 2.929 -4.956 1.00 0.00 H new ATOM 505 N GLN A 39 6.122 7.993 -6.088 1.00 0.00 N ATOM 506 CA GLN A 39 5.413 9.259 -5.973 1.00 0.00 C ATOM 507 C GLN A 39 3.922 9.014 -5.758 1.00 0.00 C ATOM 508 O GLN A 39 3.106 9.235 -6.654 1.00 0.00 O ATOM 509 CB GLN A 39 5.638 10.116 -7.222 1.00 0.00 C ATOM 510 CG GLN A 39 7.061 10.634 -7.346 1.00 0.00 C ATOM 511 CD GLN A 39 7.125 12.023 -7.950 1.00 0.00 C ATOM 512 OE1 GLN A 39 7.156 12.180 -9.169 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.149 13.037 -7.103 1.00 0.00 N ATOM 0 H GLN A 39 6.331 7.713 -7.046 1.00 0.00 H new ATOM 0 HA GLN A 39 5.805 9.798 -5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.394 9.528 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.951 10.962 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.526 10.649 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.642 9.947 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.122 12.863 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.195 13.994 -7.454 1.00 0.00 H new ATOM 522 N CYS A 40 3.581 8.551 -4.566 1.00 0.00 N ATOM 523 CA CYS A 40 2.204 8.216 -4.234 1.00 0.00 C ATOM 524 C CYS A 40 1.316 9.449 -4.244 1.00 0.00 C ATOM 525 O CYS A 40 1.595 10.433 -3.560 1.00 0.00 O ATOM 526 CB CYS A 40 2.140 7.546 -2.863 1.00 0.00 C ATOM 527 SG CYS A 40 2.599 5.784 -2.883 1.00 0.00 S ATOM 0 H CYS A 40 4.244 8.397 -3.806 1.00 0.00 H new ATOM 0 HA CYS A 40 1.838 7.525 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.802 8.076 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.129 7.644 -2.468 1.00 0.00 H new ATOM 532 N GLY A 41 0.254 9.392 -5.036 1.00 0.00 N ATOM 533 CA GLY A 41 -0.702 10.477 -5.082 1.00 0.00 C ATOM 534 C GLY A 41 -2.095 10.003 -4.729 1.00 0.00 C ATOM 535 O GLY A 41 -3.035 10.165 -5.509 1.00 0.00 O ATOM 0 H GLY A 41 0.038 8.607 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.397 11.262 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.708 10.916 -6.079 1.00 0.00 H new ATOM 539 N ALA A 42 -2.223 9.399 -3.558 1.00 0.00 N ATOM 540 CA ALA A 42 -3.493 8.850 -3.110 1.00 0.00 C ATOM 541 C ALA A 42 -3.621 8.957 -1.592 1.00 0.00 C ATOM 542 O ALA A 42 -3.453 10.036 -1.027 1.00 0.00 O ATOM 543 CB ALA A 42 -3.630 7.406 -3.570 1.00 0.00 C ATOM 0 H ALA A 42 -1.457 9.276 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.302 9.430 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.584 7.005 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.587 7.365 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.817 6.812 -3.152 1.00 0.00 H new ATOM 549 N SER A 43 -3.902 7.840 -0.931 1.00 0.00 N ATOM 550 CA SER A 43 -4.080 7.837 0.513 1.00 0.00 C ATOM 551 C SER A 43 -2.741 7.723 1.232 1.00 0.00 C ATOM 552 O SER A 43 -2.576 8.254 2.330 1.00 0.00 O ATOM 553 CB SER A 43 -5.006 6.688 0.921 1.00 0.00 C ATOM 554 OG SER A 43 -6.155 6.648 0.090 1.00 0.00 O ATOM 0 H SER A 43 -4.011 6.927 -1.373 1.00 0.00 H new ATOM 0 HA SER A 43 -4.535 8.783 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.470 5.741 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.308 6.810 1.961 1.00 0.00 H new ATOM 0 HG SER A 43 -6.733 5.906 0.366 1.00 0.00 H new ATOM 560 N VAL A 44 -1.783 7.055 0.584 1.00 0.00 N ATOM 561 CA VAL A 44 -0.465 6.803 1.175 1.00 0.00 C ATOM 562 C VAL A 44 -0.613 6.131 2.538 1.00 0.00 C ATOM 563 O VAL A 44 -0.561 6.783 3.581 1.00 0.00 O ATOM 564 CB VAL A 44 0.366 8.101 1.319 1.00 0.00 C ATOM 565 CG1 VAL A 44 1.836 7.771 1.528 1.00 0.00 C ATOM 566 CG2 VAL A 44 0.189 8.987 0.096 1.00 0.00 C ATOM 0 H VAL A 44 -1.896 6.677 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 44 0.070 6.139 0.496 1.00 0.00 H new ATOM 0 HB VAL A 44 0.006 8.644 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.406 8.695 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.950 7.175 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.207 7.206 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.781 9.895 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.522 8.451 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.863 9.251 -0.013 1.00 0.00 H new ATOM 576 N LYS A 45 -0.795 4.819 2.520 1.00 0.00 N ATOM 577 CA LYS A 45 -1.126 4.079 3.729 1.00 0.00 C ATOM 578 C LYS A 45 -0.003 3.125 4.118 1.00 0.00 C ATOM 579 O LYS A 45 0.917 2.874 3.334 1.00 0.00 O ATOM 580 CB LYS A 45 -2.428 3.300 3.525 1.00 0.00 C ATOM 581 CG LYS A 45 -3.678 4.153 3.679 1.00 0.00 C ATOM 582 CD LYS A 45 -4.941 3.362 3.381 1.00 0.00 C ATOM 583 CE LYS A 45 -5.189 2.286 4.429 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.695 2.857 5.704 1.00 0.00 N ATOM 0 H LYS A 45 -0.719 4.244 1.681 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.256 4.796 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.423 2.854 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.467 2.480 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.727 4.547 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.619 5.010 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.795 4.039 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.858 2.900 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.909 1.564 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.263 1.743 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.580 2.159 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.158 3.717 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.702 3.095 5.602 1.00 0.00 H new ATOM 598 N CYS A 46 -0.092 2.590 5.325 1.00 0.00 N ATOM 599 CA CYS A 46 0.901 1.657 5.827 1.00 0.00 C ATOM 600 C CYS A 46 0.221 0.383 6.313 1.00 0.00 C ATOM 601 O CYS A 46 -0.494 0.379 7.321 1.00 0.00 O ATOM 602 CB CYS A 46 1.723 2.292 6.951 1.00 0.00 C ATOM 603 SG CYS A 46 3.080 3.368 6.370 1.00 0.00 S ATOM 0 H CYS A 46 -0.849 2.789 5.979 1.00 0.00 H new ATOM 0 HA CYS A 46 1.582 1.403 5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.058 2.876 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.143 1.500 7.571 1.00 0.00 H new ATOM 608 N CYS A 47 0.444 -0.697 5.584 1.00 0.00 N ATOM 609 CA CYS A 47 -0.199 -1.967 5.876 1.00 0.00 C ATOM 610 C CYS A 47 0.842 -3.035 6.171 1.00 0.00 C ATOM 611 O CYS A 47 2.006 -2.899 5.797 1.00 0.00 O ATOM 612 CB CYS A 47 -1.061 -2.402 4.693 1.00 0.00 C ATOM 613 SG CYS A 47 -2.331 -1.189 4.205 1.00 0.00 S ATOM 0 H CYS A 47 1.071 -0.719 4.779 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.831 -1.840 6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.413 -2.596 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.551 -3.343 4.942 1.00 0.00 H new ATOM 618 N LYS A 48 0.428 -4.092 6.849 1.00 0.00 N ATOM 619 CA LYS A 48 1.321 -5.200 7.130 1.00 0.00 C ATOM 620 C LYS A 48 1.047 -6.333 6.160 1.00 0.00 C ATOM 621 O LYS A 48 1.929 -6.745 5.403 1.00 0.00 O ATOM 622 CB LYS A 48 1.136 -5.687 8.566 1.00 0.00 C ATOM 623 CG LYS A 48 2.298 -6.514 9.082 1.00 0.00 C ATOM 624 CD LYS A 48 1.819 -7.825 9.682 1.00 0.00 C ATOM 625 CE LYS A 48 2.856 -8.921 9.519 1.00 0.00 C ATOM 626 NZ LYS A 48 3.856 -8.898 10.614 1.00 0.00 N ATOM 0 H LYS A 48 -0.518 -4.205 7.213 1.00 0.00 H new ATOM 0 HA LYS A 48 2.350 -4.861 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.997 -4.825 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.224 -6.281 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.993 -6.717 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.846 -5.946 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.600 -7.684 10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.889 -8.128 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.360 -9.891 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.363 -8.803 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.280 -9.842 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.600 -8.207 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.390 -8.629 11.504 1.00 0.00 H new ATOM 640 N ASP A 49 -0.195 -6.802 6.182 1.00 0.00 N ATOM 641 CA ASP A 49 -0.622 -7.945 5.382 1.00 0.00 C ATOM 642 C ASP A 49 0.296 -9.144 5.643 1.00 0.00 C ATOM 643 O ASP A 49 0.790 -9.325 6.758 1.00 0.00 O ATOM 644 CB ASP A 49 -0.651 -7.595 3.886 1.00 0.00 C ATOM 645 CG ASP A 49 -1.533 -8.537 3.086 1.00 0.00 C ATOM 646 OD1 ASP A 49 -2.775 -8.416 3.171 1.00 0.00 O ATOM 647 OD2 ASP A 49 -0.977 -9.421 2.394 1.00 0.00 O ATOM 0 H ASP A 49 -0.936 -6.400 6.756 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.637 -8.211 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.010 -6.573 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.364 -7.627 3.489 1.00 0.00 H new ATOM 652 N ASP A 50 0.518 -9.958 4.625 1.00 0.00 N ATOM 653 CA ASP A 50 1.463 -11.058 4.716 1.00 0.00 C ATOM 654 C ASP A 50 2.488 -10.950 3.596 1.00 0.00 C ATOM 655 O ASP A 50 3.639 -11.360 3.751 1.00 0.00 O ATOM 656 CB ASP A 50 0.742 -12.405 4.638 1.00 0.00 C ATOM 657 CG ASP A 50 1.686 -13.576 4.841 1.00 0.00 C ATOM 658 OD1 ASP A 50 2.277 -13.689 5.939 1.00 0.00 O ATOM 659 OD2 ASP A 50 1.837 -14.391 3.908 1.00 0.00 O ATOM 0 H ASP A 50 0.053 -9.877 3.721 1.00 0.00 H new ATOM 0 HA ASP A 50 1.971 -10.999 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.043 -12.439 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.255 -12.498 3.668 1.00 0.00 H new ATOM 664 N VAL A 51 2.054 -10.365 2.476 1.00 0.00 N ATOM 665 CA VAL A 51 2.901 -10.197 1.295 1.00 0.00 C ATOM 666 C VAL A 51 3.409 -11.551 0.807 1.00 0.00 C ATOM 667 O VAL A 51 4.612 -11.777 0.669 1.00 0.00 O ATOM 668 CB VAL A 51 4.098 -9.247 1.554 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.670 -8.732 0.241 1.00 0.00 C ATOM 670 CG2 VAL A 51 3.687 -8.080 2.438 1.00 0.00 C ATOM 0 H VAL A 51 1.110 -9.996 2.364 1.00 0.00 H new ATOM 0 HA VAL A 51 2.281 -9.739 0.524 1.00 0.00 H new ATOM 0 HB VAL A 51 4.869 -9.817 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.509 -8.067 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.012 -9.573 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.899 -8.186 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.546 -7.429 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.893 -7.516 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.328 -8.458 3.395 1.00 0.00 H new ATOM 680 N THR A 52 2.476 -12.449 0.536 1.00 0.00 N ATOM 681 CA THR A 52 2.809 -13.795 0.093 1.00 0.00 C ATOM 682 C THR A 52 3.055 -13.840 -1.418 1.00 0.00 C ATOM 683 O THR A 52 2.713 -14.812 -2.093 1.00 0.00 O ATOM 684 CB THR A 52 1.684 -14.776 0.465 1.00 0.00 C ATOM 685 OG1 THR A 52 0.843 -14.187 1.471 1.00 0.00 O ATOM 686 CG2 THR A 52 2.258 -16.088 0.976 1.00 0.00 C ATOM 0 H THR A 52 1.475 -12.269 0.615 1.00 0.00 H new ATOM 0 HA THR A 52 3.728 -14.091 0.599 1.00 0.00 H new ATOM 0 HB THR A 52 1.095 -14.984 -0.428 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.157 -14.457 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.444 -16.766 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.876 -16.541 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.866 -15.899 1.861 1.00 0.00 H new ATOM 694 N ASN A 53 3.658 -12.781 -1.938 1.00 0.00 N ATOM 695 CA ASN A 53 3.970 -12.689 -3.356 1.00 0.00 C ATOM 696 C ASN A 53 5.356 -12.087 -3.539 1.00 0.00 C ATOM 697 O ASN A 53 5.888 -11.456 -2.624 1.00 0.00 O ATOM 698 CB ASN A 53 2.918 -11.851 -4.096 1.00 0.00 C ATOM 699 CG ASN A 53 2.834 -10.419 -3.599 1.00 0.00 C ATOM 700 OD1 ASN A 53 3.612 -9.556 -4.010 1.00 0.00 O ATOM 701 ND2 ASN A 53 1.884 -10.155 -2.714 1.00 0.00 N ATOM 0 H ASN A 53 3.943 -11.967 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 53 3.958 -13.692 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.151 -11.846 -5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.943 -12.325 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.777 -9.209 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.260 -10.898 -2.399 1.00 0.00 H new ATOM 708 N THR A 54 5.933 -12.282 -4.716 1.00 0.00 N ATOM 709 CA THR A 54 7.277 -11.797 -5.006 1.00 0.00 C ATOM 710 C THR A 54 7.265 -10.337 -5.459 1.00 0.00 C ATOM 711 O THR A 54 7.798 -10.000 -6.518 1.00 0.00 O ATOM 712 CB THR A 54 7.936 -12.664 -6.092 1.00 0.00 C ATOM 713 OG1 THR A 54 7.264 -13.930 -6.158 1.00 0.00 O ATOM 714 CG2 THR A 54 9.412 -12.885 -5.800 1.00 0.00 C ATOM 0 H THR A 54 5.489 -12.776 -5.491 1.00 0.00 H new ATOM 0 HA THR A 54 7.853 -11.864 -4.083 1.00 0.00 H new ATOM 0 HB THR A 54 7.853 -12.144 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.680 -14.485 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.850 -13.501 -6.585 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.924 -11.923 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.521 -13.389 -4.840 1.00 0.00 H new ATOM 722 N GLY A 55 6.655 -9.481 -4.647 1.00 0.00 N ATOM 723 CA GLY A 55 6.599 -8.067 -4.956 1.00 0.00 C ATOM 724 C GLY A 55 5.844 -7.777 -6.236 1.00 0.00 C ATOM 725 O GLY A 55 6.434 -7.374 -7.242 1.00 0.00 O ATOM 0 H GLY A 55 6.196 -9.745 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.123 -7.538 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.614 -7.678 -5.041 1.00 0.00 H new ATOM 729 N ASN A 56 4.536 -7.966 -6.201 1.00 0.00 N ATOM 730 CA ASN A 56 3.706 -7.740 -7.374 1.00 0.00 C ATOM 731 C ASN A 56 3.446 -6.250 -7.570 1.00 0.00 C ATOM 732 O ASN A 56 3.629 -5.454 -6.648 1.00 0.00 O ATOM 733 CB ASN A 56 2.380 -8.498 -7.247 1.00 0.00 C ATOM 734 CG ASN A 56 1.773 -8.834 -8.596 1.00 0.00 C ATOM 735 OD1 ASN A 56 1.197 -7.975 -9.262 1.00 0.00 O ATOM 736 ND2 ASN A 56 1.890 -10.086 -9.007 1.00 0.00 N ATOM 0 H ASN A 56 4.025 -8.275 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 56 4.240 -8.115 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.543 -9.418 -6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.674 -7.896 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.495 -10.367 -9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.375 -10.770 -8.426 1.00 0.00 H new ATOM 743 N SER A 57 3.009 -5.886 -8.766 1.00 0.00 N ATOM 744 CA SER A 57 2.803 -4.492 -9.125 1.00 0.00 C ATOM 745 C SER A 57 1.499 -3.965 -8.545 1.00 0.00 C ATOM 746 O SER A 57 1.238 -2.762 -8.559 1.00 0.00 O ATOM 747 CB SER A 57 2.788 -4.366 -10.644 1.00 0.00 C ATOM 748 OG SER A 57 2.983 -5.636 -11.248 1.00 0.00 O ATOM 0 H SER A 57 2.788 -6.546 -9.512 1.00 0.00 H new ATOM 0 HA SER A 57 3.617 -3.897 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.838 -3.943 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.571 -3.679 -10.966 1.00 0.00 H new ATOM 0 HG SER A 57 2.969 -5.540 -12.223 1.00 0.00 H new ATOM 754 N PHE A 58 0.677 -4.872 -8.052 1.00 0.00 N ATOM 755 CA PHE A 58 -0.543 -4.501 -7.366 1.00 0.00 C ATOM 756 C PHE A 58 -0.820 -5.488 -6.247 1.00 0.00 C ATOM 757 O PHE A 58 -0.745 -6.702 -6.439 1.00 0.00 O ATOM 758 CB PHE A 58 -1.723 -4.436 -8.334 1.00 0.00 C ATOM 759 CG PHE A 58 -2.597 -3.232 -8.121 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.079 -1.954 -8.262 1.00 0.00 C ATOM 761 CD2 PHE A 58 -3.930 -3.376 -7.775 1.00 0.00 C ATOM 762 CE1 PHE A 58 -2.877 -0.843 -8.065 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.733 -2.268 -7.578 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.205 -0.999 -7.722 1.00 0.00 C ATOM 0 H PHE A 58 0.835 -5.878 -8.115 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.414 -3.506 -6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.346 -4.427 -9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.325 -5.338 -8.224 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.040 -1.825 -8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.347 -4.365 -7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.462 0.147 -8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.772 -2.394 -7.312 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.830 -0.132 -7.567 1.00 0.00 H new ATOM 774 N LEU A 59 -1.125 -4.960 -5.080 1.00 0.00 N ATOM 775 CA LEU A 59 -1.351 -5.774 -3.905 1.00 0.00 C ATOM 776 C LEU A 59 -2.659 -5.379 -3.244 1.00 0.00 C ATOM 777 O LEU A 59 -2.771 -4.296 -2.671 1.00 0.00 O ATOM 778 CB LEU A 59 -0.198 -5.610 -2.912 1.00 0.00 C ATOM 779 CG LEU A 59 0.724 -6.819 -2.784 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.962 -6.635 -3.644 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.108 -7.037 -1.330 1.00 0.00 C ATOM 0 H LEU A 59 -1.223 -3.957 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.405 -6.819 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.398 -4.748 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.614 -5.385 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 59 0.192 -7.703 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.609 -7.506 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.667 -6.523 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.500 -5.743 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.766 -7.903 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.625 -6.154 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.209 -7.211 -0.738 1.00 0.00 H new ATOM 793 N ILE A 60 -3.653 -6.242 -3.353 1.00 0.00 N ATOM 794 CA ILE A 60 -4.916 -6.022 -2.675 1.00 0.00 C ATOM 795 C ILE A 60 -4.798 -6.506 -1.234 1.00 0.00 C ATOM 796 O ILE A 60 -4.940 -7.695 -0.944 1.00 0.00 O ATOM 797 CB ILE A 60 -6.087 -6.727 -3.401 1.00 0.00 C ATOM 798 CG1 ILE A 60 -6.333 -6.064 -4.758 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.357 -6.684 -2.560 1.00 0.00 C ATOM 800 CD1 ILE A 60 -5.967 -6.936 -5.940 1.00 0.00 C ATOM 0 H ILE A 60 -3.610 -7.100 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.137 -4.955 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.816 -7.772 -3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.385 -5.790 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.759 -5.139 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.164 -7.186 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.181 -7.188 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.635 -5.647 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.169 -6.398 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.908 -7.189 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.560 -7.850 -5.915 1.00 0.00 H new ATOM 812 N ILE A 61 -4.498 -5.570 -0.349 1.00 0.00 N ATOM 813 CA ILE A 61 -4.250 -5.876 1.048 1.00 0.00 C ATOM 814 C ILE A 61 -5.556 -5.908 1.830 1.00 0.00 C ATOM 815 O ILE A 61 -6.506 -5.187 1.510 1.00 0.00 O ATOM 816 CB ILE A 61 -3.288 -4.835 1.673 1.00 0.00 C ATOM 817 CG1 ILE A 61 -1.973 -4.796 0.891 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.019 -5.137 3.140 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.376 -3.411 0.780 1.00 0.00 C ATOM 0 H ILE A 61 -4.420 -4.579 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.784 -6.860 1.100 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.768 -3.858 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.252 -5.456 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.144 -5.190 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.340 -4.387 3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.958 -5.116 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.566 -6.124 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.446 -3.460 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.078 -2.752 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.173 -3.021 1.778 1.00 0.00 H new ATOM 831 N ASN A 62 -5.611 -6.763 2.837 1.00 0.00 N ATOM 832 CA ASN A 62 -6.769 -6.827 3.708 1.00 0.00 C ATOM 833 C ASN A 62 -6.852 -5.567 4.562 1.00 0.00 C ATOM 834 O ASN A 62 -5.866 -5.160 5.175 1.00 0.00 O ATOM 835 CB ASN A 62 -6.703 -8.060 4.608 1.00 0.00 C ATOM 836 CG ASN A 62 -7.995 -8.280 5.372 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.032 -7.702 5.045 1.00 0.00 O ATOM 838 ND2 ASN A 62 -7.942 -9.104 6.405 1.00 0.00 N ATOM 0 H ASN A 62 -4.868 -7.421 3.070 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.661 -6.899 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.487 -8.940 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.880 -7.949 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.779 -9.279 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.064 -9.565 6.645 1.00 0.00 H new ATOM 845 N ALA A 63 -8.031 -4.958 4.596 1.00 0.00 N ATOM 846 CA ALA A 63 -8.258 -3.750 5.380 1.00 0.00 C ATOM 847 C ALA A 63 -7.989 -3.993 6.864 1.00 0.00 C ATOM 848 O ALA A 63 -7.576 -3.087 7.585 1.00 0.00 O ATOM 849 CB ALA A 63 -9.679 -3.251 5.168 1.00 0.00 C ATOM 0 H ALA A 63 -8.851 -5.284 4.085 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.560 -2.986 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.839 -2.348 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.832 -3.027 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.385 -4.020 5.482 1.00 0.00 H new ATOM 855 N ALA A 64 -8.187 -5.232 7.306 1.00 0.00 N ATOM 856 CA ALA A 64 -7.939 -5.597 8.698 1.00 0.00 C ATOM 857 C ALA A 64 -6.448 -5.803 8.952 1.00 0.00 C ATOM 858 O ALA A 64 -6.031 -6.083 10.075 1.00 0.00 O ATOM 859 CB ALA A 64 -8.716 -6.853 9.067 1.00 0.00 C ATOM 0 H ALA A 64 -8.518 -5.999 6.721 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.282 -4.776 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.519 -7.110 10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.783 -6.673 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.403 -7.676 8.425 1.00 0.00 H new ATOM 865 N ASN A 65 -5.650 -5.663 7.902 1.00 0.00 N ATOM 866 CA ASN A 65 -4.201 -5.762 8.019 1.00 0.00 C ATOM 867 C ASN A 65 -3.568 -4.397 7.772 1.00 0.00 C ATOM 868 O ASN A 65 -2.343 -4.241 7.764 1.00 0.00 O ATOM 869 CB ASN A 65 -3.657 -6.792 7.029 1.00 0.00 C ATOM 870 CG ASN A 65 -2.841 -7.870 7.713 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.077 -7.597 8.638 1.00 0.00 O ATOM 872 ND2 ASN A 65 -2.977 -9.105 7.252 1.00 0.00 N ATOM 0 H ASN A 65 -5.983 -5.480 6.956 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.948 -6.090 9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.487 -7.252 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.039 -6.288 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.439 -9.866 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.620 -9.295 6.483 1.00 0.00 H new ATOM 879 N CYS A 66 -4.429 -3.416 7.551 1.00 0.00 N ATOM 880 CA CYS A 66 -4.016 -2.026 7.405 1.00 0.00 C ATOM 881 C CYS A 66 -4.449 -1.220 8.627 1.00 0.00 C ATOM 882 O CYS A 66 -5.618 -1.250 9.011 1.00 0.00 O ATOM 883 CB CYS A 66 -4.642 -1.413 6.150 1.00 0.00 C ATOM 884 SG CYS A 66 -4.074 -2.153 4.587 1.00 0.00 S ATOM 0 H CYS A 66 -5.435 -3.560 7.467 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.930 -1.998 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.725 -1.514 6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.422 -0.346 6.133 1.00 0.00 H new ATOM 889 N VAL A 67 -3.514 -0.499 9.238 1.00 0.00 N ATOM 890 CA VAL A 67 -3.838 0.316 10.409 1.00 0.00 C ATOM 891 C VAL A 67 -3.880 1.798 10.050 1.00 0.00 C ATOM 892 O VAL A 67 -4.803 2.516 10.435 1.00 0.00 O ATOM 893 CB VAL A 67 -2.839 0.099 11.568 1.00 0.00 C ATOM 894 CG1 VAL A 67 -3.147 -1.198 12.301 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.402 0.104 11.065 1.00 0.00 C ATOM 0 H VAL A 67 -2.537 -0.460 8.948 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.824 -0.006 10.744 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.950 0.928 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.434 -1.335 13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.157 -1.155 12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.071 -2.035 11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.723 -0.051 11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.269 -0.696 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.185 1.063 10.594 1.00 0.00 H new ATOM 905 N ALA A 68 -2.883 2.251 9.307 1.00 0.00 N ATOM 906 CA ALA A 68 -2.816 3.637 8.890 1.00 0.00 C ATOM 907 C ALA A 68 -3.170 3.739 7.422 1.00 0.00 C ATOM 908 O ALA A 68 -4.124 4.465 7.086 1.00 0.00 O ATOM 909 CB ALA A 68 -1.429 4.204 9.145 1.00 0.00 C ATOM 910 OXT ALA A 68 -2.520 3.047 6.616 1.00 0.00 O ATOM 0 H ALA A 68 -2.108 1.674 8.981 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.530 4.220 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.397 5.246 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.201 4.144 10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.692 3.630 8.583 1.00 0.00 H new TER 916 ALA A 68