USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 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 42 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.012) USER MOD Set 1.2: A 43 ASN : amide:sc= 0 K(o=-2.6,f=-0.012) USER MOD Set 2.1: A 16 GLN : amide:sc= -1.59 K(o=-3.5,f=-9.1!) USER MOD Set 2.2: A 28 ASN : amide:sc= -1.88 K(o=-3.5,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.121 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= -0.0171 (180deg=-0.0775) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00414 X(o=-0.0041,f=0) USER MOD Single : A 13 TYR OH : rot 1:sc= 0.241 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 15 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.897 USER MOD Single : A 23 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.27) USER MOD Single : A 27 THR OG1 : rot 56:sc= 0.154 USER MOD Single : A 33 SER OG : rot -110:sc= 0.0934 USER MOD Single : A 34 CYS SG : rot -170:sc= -6.82! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 178:sc= -1.26 (180deg=-1.26) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00666) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0.429 (180deg=0.332) USER MOD Single : A 56 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.0364 (180deg=-0.256) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.188 2.399 -7.623 1.00 0.00 N ATOM 2 CA MET A 1 8.928 2.215 -6.174 1.00 0.00 C ATOM 3 C MET A 1 8.459 3.538 -5.548 1.00 0.00 C ATOM 4 O MET A 1 8.533 4.589 -6.202 1.00 0.00 O ATOM 5 CB MET A 1 10.193 1.672 -5.450 1.00 0.00 C ATOM 6 CG MET A 1 11.389 2.638 -5.404 1.00 0.00 C ATOM 7 SD MET A 1 12.813 1.954 -4.523 1.00 0.00 S ATOM 8 CE MET A 1 13.947 3.349 -4.518 1.00 0.00 C ATOM 0 H1 MET A 1 8.503 1.842 -8.172 1.00 0.00 H new ATOM 0 H2 MET A 1 9.092 3.405 -7.868 1.00 0.00 H new ATOM 0 H3 MET A 1 10.152 2.079 -7.846 1.00 0.00 H new ATOM 0 HA MET A 1 8.135 1.477 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.921 1.407 -4.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.508 0.753 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.685 2.890 -6.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.082 3.566 -4.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.867 3.068 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.175 3.636 -5.544 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.487 4.190 -4.000 1.00 0.00 H new ATOM 18 N LYS A 2 7.979 3.463 -4.280 1.00 0.00 N ATOM 19 CA LYS A 2 7.476 4.621 -3.504 1.00 0.00 C ATOM 20 C LYS A 2 6.318 5.314 -4.270 1.00 0.00 C ATOM 21 O LYS A 2 6.470 6.429 -4.773 1.00 0.00 O ATOM 22 CB LYS A 2 8.645 5.606 -3.185 1.00 0.00 C ATOM 23 CG LYS A 2 8.297 6.766 -2.219 1.00 0.00 C ATOM 24 CD LYS A 2 8.069 6.307 -0.764 1.00 0.00 C ATOM 25 CE LYS A 2 9.313 5.643 -0.137 1.00 0.00 C ATOM 26 NZ LYS A 2 10.531 6.494 -0.239 1.00 0.00 N ATOM 0 H LYS A 2 7.931 2.585 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 2 7.076 4.274 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.470 5.036 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.003 6.032 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.104 7.499 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.400 7.270 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.780 7.166 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.237 5.604 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.114 5.425 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.499 4.689 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.306 6.056 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.809 6.584 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.329 7.437 0.150 1.00 0.00 H new ATOM 40 N ARG A 3 5.165 4.622 -4.339 1.00 0.00 N ATOM 41 CA ARG A 3 4.071 4.937 -5.296 1.00 0.00 C ATOM 42 C ARG A 3 3.476 6.356 -5.111 1.00 0.00 C ATOM 43 O ARG A 3 3.061 6.973 -6.090 1.00 0.00 O ATOM 44 CB ARG A 3 2.951 3.861 -5.203 1.00 0.00 C ATOM 45 CG ARG A 3 1.880 3.935 -6.324 1.00 0.00 C ATOM 46 CD ARG A 3 0.800 2.841 -6.197 1.00 0.00 C ATOM 47 NE ARG A 3 1.388 1.486 -6.150 1.00 0.00 N ATOM 48 CZ ARG A 3 0.984 0.427 -6.871 1.00 0.00 C ATOM 49 NH1 ARG A 3 0.038 0.540 -7.796 1.00 0.00 N ATOM 50 NH2 ARG A 3 1.567 -0.746 -6.682 1.00 0.00 N ATOM 0 H ARG A 3 4.959 3.826 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 3 4.516 4.922 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.413 2.874 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 3 2.453 3.958 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.402 4.914 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.370 3.844 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.214 3.013 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.114 2.909 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 3 2.171 1.342 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.398 1.445 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.252 -0.278 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.315 -0.839 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.268 -1.557 -7.224 1.00 0.00 H new ATOM 64 N ALA A 4 3.454 6.861 -3.862 1.00 0.00 N ATOM 65 CA ALA A 4 2.890 8.193 -3.538 1.00 0.00 C ATOM 66 C ALA A 4 3.759 9.327 -4.124 1.00 0.00 C ATOM 67 O ALA A 4 3.262 10.167 -4.890 1.00 0.00 O ATOM 68 CB ALA A 4 2.729 8.347 -2.016 1.00 0.00 C ATOM 0 H ALA A 4 3.823 6.364 -3.052 1.00 0.00 H new ATOM 0 HA ALA A 4 1.905 8.268 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.314 9.330 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.057 7.575 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.702 8.246 -1.535 1.00 0.00 H new ATOM 74 N ALA A 5 5.062 9.323 -3.770 1.00 0.00 N ATOM 75 CA ALA A 5 6.039 10.318 -4.273 1.00 0.00 C ATOM 76 C ALA A 5 6.310 10.124 -5.779 1.00 0.00 C ATOM 77 O ALA A 5 6.639 11.085 -6.477 1.00 0.00 O ATOM 78 CB ALA A 5 7.350 10.232 -3.479 1.00 0.00 C ATOM 0 H ALA A 5 5.466 8.637 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 5 5.608 11.310 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.056 10.969 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.151 10.432 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.775 9.234 -3.585 1.00 0.00 H new ATOM 84 N ALA A 6 6.168 8.871 -6.248 1.00 0.00 N ATOM 85 CA ALA A 6 6.324 8.499 -7.665 1.00 0.00 C ATOM 86 C ALA A 6 5.175 9.070 -8.502 1.00 0.00 C ATOM 87 O ALA A 6 5.398 9.536 -9.611 1.00 0.00 O ATOM 88 CB ALA A 6 6.389 6.974 -7.824 1.00 0.00 C ATOM 0 H ALA A 6 5.939 8.080 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 6 7.261 8.924 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.504 6.723 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.239 6.586 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.470 6.529 -7.443 1.00 0.00 H new ATOM 94 N LYS A 7 3.952 9.031 -7.937 1.00 0.00 N ATOM 95 CA LYS A 7 2.743 9.594 -8.570 1.00 0.00 C ATOM 96 C LYS A 7 2.819 11.131 -8.584 1.00 0.00 C ATOM 97 O LYS A 7 2.332 11.776 -9.517 1.00 0.00 O ATOM 98 CB LYS A 7 1.458 9.120 -7.839 1.00 0.00 C ATOM 99 CG LYS A 7 0.142 9.655 -8.453 1.00 0.00 C ATOM 100 CD LYS A 7 -1.116 9.202 -7.682 1.00 0.00 C ATOM 101 CE LYS A 7 -2.403 9.821 -8.255 1.00 0.00 C ATOM 102 NZ LYS A 7 -3.617 9.403 -7.502 1.00 0.00 N ATOM 0 H LYS A 7 3.775 8.607 -7.026 1.00 0.00 H new ATOM 0 HA LYS A 7 2.696 9.234 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.432 8.030 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.512 9.432 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.175 10.744 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.068 9.318 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.190 8.115 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.017 9.480 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.321 10.908 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.509 9.530 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.458 9.845 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.712 8.368 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.531 9.703 -6.510 1.00 0.00 H new ATOM 116 N HIS A 8 3.434 11.701 -7.533 1.00 0.00 N ATOM 117 CA HIS A 8 3.672 13.151 -7.453 1.00 0.00 C ATOM 118 C HIS A 8 4.810 13.567 -8.411 1.00 0.00 C ATOM 119 O HIS A 8 4.866 14.721 -8.834 1.00 0.00 O ATOM 120 CB HIS A 8 3.981 13.589 -5.996 1.00 0.00 C ATOM 121 CG HIS A 8 3.991 15.091 -5.801 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.945 15.759 -5.066 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.127 16.047 -6.236 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.670 17.051 -5.067 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.574 17.248 -5.766 1.00 0.00 N ATOM 0 H HIS A 8 3.775 11.178 -6.727 1.00 0.00 H new ATOM 0 HA HIS A 8 2.761 13.662 -7.764 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.239 13.150 -5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 8 4.951 13.187 -5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.248 15.885 -6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.249 17.818 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.130 18.151 -5.930 1.00 0.00 H new ATOM 134 N LEU A 9 5.707 12.616 -8.737 1.00 0.00 N ATOM 135 CA LEU A 9 6.789 12.825 -9.724 1.00 0.00 C ATOM 136 C LEU A 9 6.198 12.739 -11.153 1.00 0.00 C ATOM 137 O LEU A 9 6.652 13.429 -12.074 1.00 0.00 O ATOM 138 CB LEU A 9 7.945 11.795 -9.505 1.00 0.00 C ATOM 139 CG LEU A 9 9.411 12.335 -9.625 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.732 12.851 -11.040 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.689 13.412 -8.553 1.00 0.00 C ATOM 0 H LEU A 9 5.704 11.683 -8.326 1.00 0.00 H new ATOM 0 HA LEU A 9 7.222 13.816 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.825 11.357 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.821 10.988 -10.227 1.00 0.00 H new ATOM 0 HG LEU A 9 10.080 11.494 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.759 13.214 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.612 12.040 -11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.052 13.664 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.713 13.772 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.997 14.244 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.554 12.981 -7.561 1.00 0.00 H new ATOM 153 N ILE A 10 5.177 11.872 -11.316 1.00 0.00 N ATOM 154 CA ILE A 10 4.348 11.820 -12.533 1.00 0.00 C ATOM 155 C ILE A 10 3.602 13.159 -12.692 1.00 0.00 C ATOM 156 O ILE A 10 3.438 13.646 -13.804 1.00 0.00 O ATOM 157 CB ILE A 10 3.317 10.626 -12.474 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.063 9.251 -12.475 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.267 10.698 -13.618 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.183 8.050 -12.161 1.00 0.00 C ATOM 0 H ILE A 10 4.906 11.190 -10.607 1.00 0.00 H new ATOM 0 HA ILE A 10 4.997 11.653 -13.392 1.00 0.00 H new ATOM 0 HB ILE A 10 2.767 10.718 -11.537 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.522 9.103 -13.453 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.872 9.292 -11.746 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.580 9.856 -13.535 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.708 11.631 -13.541 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.775 10.658 -14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.785 7.142 -12.184 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.744 8.169 -11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.388 7.977 -12.903 1.00 0.00 H new ATOM 172 N GLU A 11 3.165 13.725 -11.545 1.00 0.00 N ATOM 173 CA GLU A 11 2.498 15.040 -11.464 1.00 0.00 C ATOM 174 C GLU A 11 3.479 16.182 -11.828 1.00 0.00 C ATOM 175 O GLU A 11 3.056 17.210 -12.332 1.00 0.00 O ATOM 176 CB GLU A 11 1.895 15.250 -10.038 1.00 0.00 C ATOM 177 CG GLU A 11 1.172 16.599 -9.803 1.00 0.00 C ATOM 178 CD GLU A 11 -0.092 16.766 -10.664 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.004 17.277 -11.803 1.00 0.00 O ATOM 180 OE2 GLU A 11 -1.188 16.374 -10.206 1.00 0.00 O ATOM 0 H GLU A 11 3.268 13.273 -10.637 1.00 0.00 H new ATOM 0 HA GLU A 11 1.684 15.062 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.190 14.442 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.699 15.158 -9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.900 16.680 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.861 17.416 -10.018 1.00 0.00 H new ATOM 187 N ARG A 12 4.791 15.985 -11.565 1.00 0.00 N ATOM 188 CA ARG A 12 5.850 16.939 -11.990 1.00 0.00 C ATOM 189 C ARG A 12 5.914 16.992 -13.534 1.00 0.00 C ATOM 190 O ARG A 12 5.980 18.072 -14.127 1.00 0.00 O ATOM 191 CB ARG A 12 7.234 16.526 -11.394 1.00 0.00 C ATOM 192 CG ARG A 12 7.278 16.478 -9.846 1.00 0.00 C ATOM 193 CD ARG A 12 7.473 17.849 -9.164 1.00 0.00 C ATOM 194 NE ARG A 12 8.903 18.189 -9.021 1.00 0.00 N ATOM 195 CZ ARG A 12 9.430 18.955 -8.049 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.656 19.602 -7.179 1.00 0.00 N ATOM 197 NH2 ARG A 12 10.741 19.085 -7.961 1.00 0.00 N ATOM 0 H ARG A 12 5.146 15.173 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 12 5.605 17.932 -11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.505 15.545 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.991 17.228 -11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.350 16.036 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.088 15.816 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.972 18.621 -9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.002 17.837 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 12 9.545 17.811 -9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.641 19.522 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.078 20.177 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.347 18.606 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.148 19.664 -7.227 1.00 0.00 H new ATOM 211 N TYR A 13 5.865 15.795 -14.159 1.00 0.00 N ATOM 212 CA TYR A 13 5.857 15.637 -15.632 1.00 0.00 C ATOM 213 C TYR A 13 4.495 16.022 -16.250 1.00 0.00 C ATOM 214 O TYR A 13 4.438 16.507 -17.383 1.00 0.00 O ATOM 215 CB TYR A 13 6.217 14.178 -16.009 1.00 0.00 C ATOM 216 CG TYR A 13 7.709 13.840 -15.877 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.645 14.388 -16.762 1.00 0.00 C ATOM 218 CD2 TYR A 13 8.178 12.961 -14.904 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.983 14.062 -16.683 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.513 12.641 -14.818 1.00 0.00 C ATOM 221 CZ TYR A 13 10.414 13.189 -15.708 1.00 0.00 C ATOM 222 OH TYR A 13 11.749 12.852 -15.625 1.00 0.00 O ATOM 0 H TYR A 13 5.830 14.908 -13.656 1.00 0.00 H new ATOM 0 HA TYR A 13 6.605 16.317 -16.039 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.646 13.500 -15.375 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.904 13.993 -17.037 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.313 15.080 -17.522 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.481 12.523 -14.205 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.688 14.488 -17.381 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.856 11.960 -14.053 1.00 0.00 H new ATOM 0 HH TYR A 13 12.250 13.324 -16.323 1.00 0.00 H new ATOM 232 N TYR A 14 3.411 15.803 -15.489 1.00 0.00 N ATOM 233 CA TYR A 14 2.035 16.080 -15.939 1.00 0.00 C ATOM 234 C TYR A 14 1.817 17.593 -15.978 1.00 0.00 C ATOM 235 O TYR A 14 1.253 18.120 -16.929 1.00 0.00 O ATOM 236 CB TYR A 14 1.009 15.395 -14.992 1.00 0.00 C ATOM 237 CG TYR A 14 -0.454 15.536 -15.434 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.011 14.658 -16.367 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.279 16.549 -14.928 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.322 14.788 -16.776 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.588 16.678 -15.337 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.107 15.792 -16.259 1.00 0.00 C ATOM 243 OH TYR A 14 -4.412 15.909 -16.672 1.00 0.00 O ATOM 0 H TYR A 14 3.463 15.428 -14.542 1.00 0.00 H new ATOM 0 HA TYR A 14 1.887 15.673 -16.940 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.253 14.335 -14.918 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.116 15.818 -13.993 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.404 13.863 -16.775 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.881 17.243 -14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.732 14.102 -17.502 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.205 17.469 -14.938 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.833 16.666 -16.214 1.00 0.00 H new ATOM 253 N HIS A 15 2.295 18.259 -14.914 1.00 0.00 N ATOM 254 CA HIS A 15 2.297 19.726 -14.785 1.00 0.00 C ATOM 255 C HIS A 15 3.196 20.342 -15.868 1.00 0.00 C ATOM 256 O HIS A 15 2.908 21.413 -16.378 1.00 0.00 O ATOM 257 CB HIS A 15 2.814 20.120 -13.372 1.00 0.00 C ATOM 258 CG HIS A 15 2.743 21.590 -13.046 1.00 0.00 C ATOM 259 ND1 HIS A 15 1.684 22.150 -12.366 1.00 0.00 N ATOM 260 CD2 HIS A 15 3.609 22.611 -13.282 1.00 0.00 C ATOM 261 CE1 HIS A 15 1.902 23.436 -12.195 1.00 0.00 C ATOM 262 NE2 HIS A 15 3.060 23.734 -12.741 1.00 0.00 N ATOM 0 H HIS A 15 2.698 17.785 -14.105 1.00 0.00 H new ATOM 0 HA HIS A 15 1.283 20.104 -14.913 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.238 19.571 -12.627 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.850 19.794 -13.278 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.554 22.544 -13.801 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.243 24.128 -11.692 1.00 0.00 H new ATOM 0 HE2 HIS A 15 3.482 24.662 -12.757 1.00 0.00 H new ATOM 271 N GLN A 16 4.301 19.642 -16.180 1.00 0.00 N ATOM 272 CA GLN A 16 5.264 20.036 -17.228 1.00 0.00 C ATOM 273 C GLN A 16 4.612 20.019 -18.630 1.00 0.00 C ATOM 274 O GLN A 16 4.999 20.797 -19.503 1.00 0.00 O ATOM 275 CB GLN A 16 6.490 19.085 -17.162 1.00 0.00 C ATOM 276 CG GLN A 16 7.511 19.196 -18.311 1.00 0.00 C ATOM 277 CD GLN A 16 8.668 18.203 -18.172 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.088 17.878 -17.070 1.00 0.00 O ATOM 279 NE2 GLN A 16 9.164 17.694 -19.280 1.00 0.00 N ATOM 0 H GLN A 16 4.555 18.775 -15.706 1.00 0.00 H new ATOM 0 HA GLN A 16 5.591 21.060 -17.050 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.013 19.267 -16.223 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.124 18.059 -17.129 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.003 19.025 -19.260 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.910 20.210 -18.341 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.794 17.984 -20.185 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.919 17.009 -19.234 1.00 0.00 H new ATOM 288 N LEU A 17 3.629 19.129 -18.830 1.00 0.00 N ATOM 289 CA LEU A 17 2.891 19.024 -20.107 1.00 0.00 C ATOM 290 C LEU A 17 1.707 20.012 -20.169 1.00 0.00 C ATOM 291 O LEU A 17 1.572 20.764 -21.137 1.00 0.00 O ATOM 292 CB LEU A 17 2.398 17.567 -20.311 1.00 0.00 C ATOM 293 CG LEU A 17 3.524 16.510 -20.546 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.974 15.074 -20.519 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.293 16.785 -21.861 1.00 0.00 C ATOM 0 H LEU A 17 3.321 18.464 -18.120 1.00 0.00 H new ATOM 0 HA LEU A 17 3.574 19.290 -20.914 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.820 17.270 -19.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.719 17.546 -21.163 1.00 0.00 H new ATOM 0 HG LEU A 17 4.229 16.606 -19.720 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.788 14.369 -20.686 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.518 14.877 -19.549 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.226 14.956 -21.303 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.069 16.031 -21.993 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.601 16.745 -22.702 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.751 17.773 -21.815 1.00 0.00 H new ATOM 307 N THR A 18 0.854 19.992 -19.134 1.00 0.00 N ATOM 308 CA THR A 18 -0.426 20.732 -19.126 1.00 0.00 C ATOM 309 C THR A 18 -0.221 22.232 -18.863 1.00 0.00 C ATOM 310 O THR A 18 -0.906 23.073 -19.452 1.00 0.00 O ATOM 311 CB THR A 18 -1.399 20.142 -18.057 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.754 20.119 -16.770 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.865 18.721 -18.427 1.00 0.00 C ATOM 0 H THR A 18 1.028 19.465 -18.278 1.00 0.00 H new ATOM 0 HA THR A 18 -0.864 20.618 -20.117 1.00 0.00 H new ATOM 0 HB THR A 18 -2.279 20.784 -18.022 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.126 19.368 -16.732 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.540 18.348 -17.657 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.385 18.746 -19.385 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.000 18.062 -18.501 1.00 0.00 H new ATOM 321 N GLU A 19 0.701 22.556 -17.952 1.00 0.00 N ATOM 322 CA GLU A 19 0.999 23.946 -17.556 1.00 0.00 C ATOM 323 C GLU A 19 2.307 24.418 -18.206 1.00 0.00 C ATOM 324 O GLU A 19 2.400 25.545 -18.710 1.00 0.00 O ATOM 325 CB GLU A 19 1.086 24.043 -16.006 1.00 0.00 C ATOM 326 CG GLU A 19 -0.180 23.552 -15.272 1.00 0.00 C ATOM 327 CD GLU A 19 -1.443 24.345 -15.657 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.630 25.467 -15.137 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.245 23.866 -16.489 1.00 0.00 O ATOM 0 H GLU A 19 1.267 21.863 -17.463 1.00 0.00 H new ATOM 0 HA GLU A 19 0.196 24.597 -17.902 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.941 23.460 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.275 25.080 -15.728 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.337 22.497 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.023 23.629 -14.196 1.00 0.00 H new ATOM 336 N GLY A 20 3.300 23.522 -18.210 1.00 0.00 N ATOM 337 CA GLY A 20 4.647 23.838 -18.649 1.00 0.00 C ATOM 338 C GLY A 20 5.551 24.198 -17.494 1.00 0.00 C ATOM 339 O GLY A 20 5.643 23.444 -16.514 1.00 0.00 O ATOM 0 H GLY A 20 3.183 22.555 -17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.064 22.984 -19.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.613 24.668 -19.354 1.00 0.00 H new ATOM 343 N CYS A 21 6.217 25.343 -17.611 1.00 0.00 N ATOM 344 CA CYS A 21 7.142 25.842 -16.571 1.00 0.00 C ATOM 345 C CYS A 21 7.272 27.380 -16.606 1.00 0.00 C ATOM 346 O CYS A 21 8.219 27.936 -16.038 1.00 0.00 O ATOM 347 CB CYS A 21 8.521 25.174 -16.763 1.00 0.00 C ATOM 348 SG CYS A 21 9.228 25.450 -18.411 1.00 0.00 S ATOM 0 H CYS A 21 6.139 25.957 -18.422 1.00 0.00 H new ATOM 0 HA CYS A 21 6.738 25.582 -15.593 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.210 25.557 -16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.425 24.102 -16.591 1.00 0.00 H new ATOM 353 N GLY A 22 6.331 28.068 -17.294 1.00 0.00 N ATOM 354 CA GLY A 22 6.293 29.541 -17.301 1.00 0.00 C ATOM 355 C GLY A 22 7.259 30.193 -18.301 1.00 0.00 C ATOM 356 O GLY A 22 6.964 31.271 -18.827 1.00 0.00 O ATOM 0 H GLY A 22 5.595 27.627 -17.846 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.278 29.866 -17.530 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.526 29.904 -16.300 1.00 0.00 H new ATOM 360 N ASN A 23 8.426 29.546 -18.529 1.00 0.00 N ATOM 361 CA ASN A 23 9.495 30.048 -19.419 1.00 0.00 C ATOM 362 C ASN A 23 8.965 30.300 -20.839 1.00 0.00 C ATOM 363 O ASN A 23 8.602 29.353 -21.528 1.00 0.00 O ATOM 364 CB ASN A 23 10.675 29.039 -19.493 1.00 0.00 C ATOM 365 CG ASN A 23 11.274 28.663 -18.134 1.00 0.00 C ATOM 366 OD1 ASN A 23 11.197 29.412 -17.163 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.896 27.501 -18.076 1.00 0.00 N ATOM 0 H ASN A 23 8.652 28.651 -18.095 1.00 0.00 H new ATOM 0 HA ASN A 23 9.847 30.989 -18.997 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.330 28.131 -19.988 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.461 29.463 -20.118 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.333 27.199 -17.205 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.940 26.904 -18.902 1.00 0.00 H new ATOM 374 N GLU A 24 8.939 31.578 -21.260 1.00 0.00 N ATOM 375 CA GLU A 24 8.420 32.005 -22.587 1.00 0.00 C ATOM 376 C GLU A 24 9.143 31.300 -23.768 1.00 0.00 C ATOM 377 O GLU A 24 8.569 31.155 -24.853 1.00 0.00 O ATOM 378 CB GLU A 24 8.529 33.548 -22.714 1.00 0.00 C ATOM 379 CG GLU A 24 9.958 34.109 -22.529 1.00 0.00 C ATOM 380 CD GLU A 24 10.020 35.647 -22.486 1.00 0.00 C ATOM 381 OE1 GLU A 24 9.584 36.236 -21.474 1.00 0.00 O ATOM 382 OE2 GLU A 24 10.503 36.276 -23.453 1.00 0.00 O ATOM 0 H GLU A 24 9.278 32.354 -20.691 1.00 0.00 H new ATOM 0 HA GLU A 24 7.374 31.705 -22.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.160 33.846 -23.695 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.874 34.008 -21.974 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.378 33.712 -21.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.587 33.752 -23.344 1.00 0.00 H new ATOM 389 N ALA A 25 10.387 30.863 -23.532 1.00 0.00 N ATOM 390 CA ALA A 25 11.190 30.120 -24.515 1.00 0.00 C ATOM 391 C ALA A 25 11.872 28.916 -23.835 1.00 0.00 C ATOM 392 O ALA A 25 13.086 28.927 -23.568 1.00 0.00 O ATOM 393 CB ALA A 25 12.212 31.061 -25.180 1.00 0.00 C ATOM 0 H ALA A 25 10.869 31.016 -22.646 1.00 0.00 H new ATOM 0 HA ALA A 25 10.541 29.732 -25.300 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.802 30.502 -25.906 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.686 31.871 -25.686 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.872 31.477 -24.419 1.00 0.00 H new ATOM 399 N CYS A 26 11.061 27.899 -23.490 1.00 0.00 N ATOM 400 CA CYS A 26 11.570 26.624 -22.950 1.00 0.00 C ATOM 401 C CYS A 26 12.058 25.730 -24.102 1.00 0.00 C ATOM 402 O CYS A 26 11.451 25.706 -25.177 1.00 0.00 O ATOM 403 CB CYS A 26 10.490 25.892 -22.131 1.00 0.00 C ATOM 404 SG CYS A 26 10.993 24.240 -21.516 1.00 0.00 S ATOM 0 H CYS A 26 10.045 27.936 -23.576 1.00 0.00 H new ATOM 0 HA CYS A 26 12.403 26.844 -22.283 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.214 26.514 -21.280 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.598 25.780 -22.747 1.00 0.00 H new ATOM 409 N THR A 27 13.160 25.001 -23.864 1.00 0.00 N ATOM 410 CA THR A 27 13.817 24.171 -24.890 1.00 0.00 C ATOM 411 C THR A 27 13.636 22.662 -24.578 1.00 0.00 C ATOM 412 O THR A 27 14.610 21.926 -24.347 1.00 0.00 O ATOM 413 CB THR A 27 15.333 24.560 -24.999 1.00 0.00 C ATOM 414 OG1 THR A 27 15.975 24.381 -23.721 1.00 0.00 O ATOM 415 CG2 THR A 27 15.524 26.020 -25.461 1.00 0.00 C ATOM 0 H THR A 27 13.622 24.969 -22.955 1.00 0.00 H new ATOM 0 HA THR A 27 13.346 24.359 -25.855 1.00 0.00 H new ATOM 0 HB THR A 27 15.785 23.907 -25.746 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.842 23.460 -23.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.589 26.246 -25.522 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.067 26.154 -26.442 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.051 26.693 -24.746 1.00 0.00 H new ATOM 423 N ASN A 28 12.362 22.210 -24.573 1.00 0.00 N ATOM 424 CA ASN A 28 12.011 20.800 -24.334 1.00 0.00 C ATOM 425 C ASN A 28 10.682 20.456 -25.042 1.00 0.00 C ATOM 426 O ASN A 28 9.635 20.960 -24.657 1.00 0.00 O ATOM 427 CB ASN A 28 11.908 20.518 -22.805 1.00 0.00 C ATOM 428 CG ASN A 28 11.537 19.065 -22.464 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.814 18.140 -23.226 1.00 0.00 O ATOM 430 ND2 ASN A 28 10.940 18.852 -21.304 1.00 0.00 N ATOM 0 H ASN A 28 11.555 22.812 -24.734 1.00 0.00 H new ATOM 0 HA ASN A 28 12.797 20.167 -24.746 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.862 20.759 -22.336 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.162 21.185 -22.372 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.698 17.902 -21.022 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.722 19.637 -20.691 1.00 0.00 H new ATOM 437 N GLU A 29 10.743 19.561 -26.052 1.00 0.00 N ATOM 438 CA GLU A 29 9.546 19.087 -26.808 1.00 0.00 C ATOM 439 C GLU A 29 8.528 18.368 -25.889 1.00 0.00 C ATOM 440 O GLU A 29 7.339 18.282 -26.211 1.00 0.00 O ATOM 441 CB GLU A 29 9.986 18.143 -27.959 1.00 0.00 C ATOM 442 CG GLU A 29 10.751 16.887 -27.495 1.00 0.00 C ATOM 443 CD GLU A 29 11.144 15.951 -28.647 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.201 16.175 -29.273 1.00 0.00 O ATOM 445 OE2 GLU A 29 10.399 14.987 -28.931 1.00 0.00 O ATOM 0 H GLU A 29 11.617 19.143 -26.371 1.00 0.00 H new ATOM 0 HA GLU A 29 9.049 19.964 -27.224 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.102 17.831 -28.514 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.616 18.702 -28.651 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.652 17.195 -26.964 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.134 16.337 -26.784 1.00 0.00 H new ATOM 452 N PHE A 30 9.018 17.878 -24.735 1.00 0.00 N ATOM 453 CA PHE A 30 8.210 17.166 -23.727 1.00 0.00 C ATOM 454 C PHE A 30 7.616 18.148 -22.686 1.00 0.00 C ATOM 455 O PHE A 30 7.368 17.760 -21.537 1.00 0.00 O ATOM 456 CB PHE A 30 9.106 16.110 -23.014 1.00 0.00 C ATOM 457 CG PHE A 30 9.821 15.130 -23.953 1.00 0.00 C ATOM 458 CD1 PHE A 30 9.094 14.239 -24.743 1.00 0.00 C ATOM 459 CD2 PHE A 30 11.214 15.102 -24.044 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.739 13.344 -25.581 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.851 14.208 -24.880 1.00 0.00 C ATOM 462 CZ PHE A 30 11.116 13.333 -25.653 1.00 0.00 C ATOM 0 H PHE A 30 10.000 17.967 -24.473 1.00 0.00 H new ATOM 0 HA PHE A 30 7.378 16.673 -24.229 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.855 16.633 -22.419 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.488 15.540 -22.320 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.015 14.247 -24.701 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.801 15.789 -23.452 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.162 12.654 -26.179 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.930 14.193 -24.929 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.618 12.641 -26.313 1.00 0.00 H new ATOM 472 N CYS A 31 7.348 19.400 -23.090 1.00 0.00 N ATOM 473 CA CYS A 31 6.959 20.467 -22.145 1.00 0.00 C ATOM 474 C CYS A 31 6.142 21.560 -22.828 1.00 0.00 C ATOM 475 O CYS A 31 6.454 21.936 -23.947 1.00 0.00 O ATOM 476 CB CYS A 31 8.228 21.118 -21.568 1.00 0.00 C ATOM 477 SG CYS A 31 7.934 22.341 -20.257 1.00 0.00 S ATOM 0 H CYS A 31 7.393 19.701 -24.063 1.00 0.00 H new ATOM 0 HA CYS A 31 6.353 20.009 -21.364 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.874 20.333 -21.174 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.772 21.601 -22.380 1.00 0.00 H new ATOM 482 N ALA A 32 5.132 22.095 -22.120 1.00 0.00 N ATOM 483 CA ALA A 32 4.454 23.338 -22.503 1.00 0.00 C ATOM 484 C ALA A 32 5.353 24.523 -22.112 1.00 0.00 C ATOM 485 O ALA A 32 6.362 24.337 -21.405 1.00 0.00 O ATOM 486 CB ALA A 32 3.053 23.439 -21.867 1.00 0.00 C ATOM 0 H ALA A 32 4.765 21.675 -21.266 1.00 0.00 H new ATOM 0 HA ALA A 32 4.293 23.351 -23.581 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.581 24.373 -22.173 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.442 22.598 -22.197 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.144 23.417 -20.781 1.00 0.00 H new ATOM 492 N SER A 33 5.011 25.712 -22.629 1.00 0.00 N ATOM 493 CA SER A 33 5.848 26.935 -22.561 1.00 0.00 C ATOM 494 C SER A 33 7.020 26.837 -23.579 1.00 0.00 C ATOM 495 O SER A 33 7.880 27.727 -23.649 1.00 0.00 O ATOM 496 CB SER A 33 6.360 27.235 -21.108 1.00 0.00 C ATOM 497 OG SER A 33 5.323 27.134 -20.137 1.00 0.00 O ATOM 0 H SER A 33 4.128 25.861 -23.118 1.00 0.00 H new ATOM 0 HA SER A 33 5.220 27.783 -22.836 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.160 26.538 -20.856 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.788 28.237 -21.076 1.00 0.00 H new ATOM 0 HG SER A 33 5.108 28.026 -19.794 1.00 0.00 H new ATOM 503 N CYS A 34 7.032 25.750 -24.384 1.00 0.00 N ATOM 504 CA CYS A 34 7.984 25.544 -25.481 1.00 0.00 C ATOM 505 C CYS A 34 7.299 25.859 -26.823 1.00 0.00 C ATOM 506 O CYS A 34 6.127 25.504 -27.003 1.00 0.00 O ATOM 507 CB CYS A 34 8.472 24.084 -25.464 1.00 0.00 C ATOM 508 SG CYS A 34 9.133 23.588 -23.870 1.00 0.00 S ATOM 0 H CYS A 34 6.367 24.984 -24.282 1.00 0.00 H new ATOM 0 HA CYS A 34 8.839 26.208 -25.357 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.644 23.426 -25.729 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.240 23.954 -26.227 1.00 0.00 H new ATOM 0 HG CYS A 34 9.708 22.428 -23.981 1.00 0.00 H new ATOM 514 N PRO A 35 8.021 26.508 -27.797 1.00 0.00 N ATOM 515 CA PRO A 35 7.451 26.856 -29.124 1.00 0.00 C ATOM 516 C PRO A 35 7.183 25.601 -29.985 1.00 0.00 C ATOM 517 O PRO A 35 6.370 25.629 -30.909 1.00 0.00 O ATOM 518 CB PRO A 35 8.542 27.768 -29.774 1.00 0.00 C ATOM 519 CG PRO A 35 9.511 28.091 -28.662 1.00 0.00 C ATOM 520 CD PRO A 35 9.440 26.936 -27.695 1.00 0.00 C ATOM 0 HA PRO A 35 6.483 27.350 -29.039 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.043 27.256 -30.595 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.101 28.675 -30.186 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.522 28.213 -29.050 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.243 29.027 -28.171 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.125 26.134 -27.971 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.699 27.241 -26.681 1.00 0.00 H new ATOM 528 N THR A 36 7.895 24.514 -29.659 1.00 0.00 N ATOM 529 CA THR A 36 7.854 23.248 -30.401 1.00 0.00 C ATOM 530 C THR A 36 6.704 22.327 -29.932 1.00 0.00 C ATOM 531 O THR A 36 6.411 21.316 -30.588 1.00 0.00 O ATOM 532 CB THR A 36 9.218 22.510 -30.238 1.00 0.00 C ATOM 533 OG1 THR A 36 9.451 22.237 -28.844 1.00 0.00 O ATOM 534 CG2 THR A 36 10.390 23.349 -30.793 1.00 0.00 C ATOM 0 H THR A 36 8.526 24.490 -28.858 1.00 0.00 H new ATOM 0 HA THR A 36 7.672 23.485 -31.449 1.00 0.00 H new ATOM 0 HB THR A 36 9.166 21.581 -30.805 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.307 21.772 -28.740 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.323 22.802 -30.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.229 23.542 -31.854 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.446 24.296 -30.256 1.00 0.00 H new ATOM 542 N PHE A 37 6.059 22.688 -28.803 1.00 0.00 N ATOM 543 CA PHE A 37 5.003 21.864 -28.190 1.00 0.00 C ATOM 544 C PHE A 37 3.639 22.179 -28.831 1.00 0.00 C ATOM 545 O PHE A 37 3.358 23.335 -29.173 1.00 0.00 O ATOM 546 CB PHE A 37 4.947 22.105 -26.660 1.00 0.00 C ATOM 547 CG PHE A 37 4.038 21.130 -25.896 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.434 19.805 -25.708 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.808 21.533 -25.362 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.638 18.916 -25.013 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.013 20.640 -24.669 1.00 0.00 C ATOM 552 CZ PHE A 37 2.429 19.331 -24.495 1.00 0.00 C ATOM 0 H PHE A 37 6.255 23.551 -28.297 1.00 0.00 H new ATOM 0 HA PHE A 37 5.237 20.814 -28.367 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.957 22.033 -26.256 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.602 23.123 -26.477 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.378 19.470 -26.112 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.477 22.553 -25.493 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.962 17.895 -24.875 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.066 20.964 -24.263 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.806 18.634 -23.953 1.00 0.00 H new ATOM 562 N LEU A 38 2.803 21.139 -28.974 1.00 0.00 N ATOM 563 CA LEU A 38 1.419 21.256 -29.463 1.00 0.00 C ATOM 564 C LEU A 38 0.474 20.717 -28.374 1.00 0.00 C ATOM 565 O LEU A 38 0.785 19.702 -27.734 1.00 0.00 O ATOM 566 CB LEU A 38 1.246 20.464 -30.791 1.00 0.00 C ATOM 567 CG LEU A 38 -0.160 20.559 -31.474 1.00 0.00 C ATOM 568 CD1 LEU A 38 -0.507 22.014 -31.863 1.00 0.00 C ATOM 569 CD2 LEU A 38 -0.243 19.627 -32.701 1.00 0.00 C ATOM 0 H LEU A 38 3.072 20.181 -28.751 1.00 0.00 H new ATOM 0 HA LEU A 38 1.180 22.299 -29.670 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.996 20.816 -31.500 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.461 19.414 -30.594 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.900 20.229 -30.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.490 22.040 -32.334 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.517 22.637 -30.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.240 22.392 -32.561 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.230 19.712 -33.157 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.518 19.913 -33.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.076 18.597 -32.387 1.00 0.00 H new ATOM 581 N ARG A 39 -0.665 21.411 -28.165 1.00 0.00 N ATOM 582 CA ARG A 39 -1.626 21.067 -27.104 1.00 0.00 C ATOM 583 C ARG A 39 -2.348 19.742 -27.395 1.00 0.00 C ATOM 584 O ARG A 39 -2.580 19.358 -28.551 1.00 0.00 O ATOM 585 CB ARG A 39 -2.647 22.217 -26.868 1.00 0.00 C ATOM 586 CG ARG A 39 -2.033 23.499 -26.255 1.00 0.00 C ATOM 587 CD ARG A 39 -1.449 23.262 -24.851 1.00 0.00 C ATOM 588 NE ARG A 39 -0.831 24.478 -24.290 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.467 24.628 -23.005 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.690 23.671 -22.117 1.00 0.00 N ATOM 591 NH2 ARG A 39 0.120 25.746 -22.607 1.00 0.00 N ATOM 0 H ARG A 39 -0.940 22.219 -28.724 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.053 20.933 -26.186 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.116 22.472 -27.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.437 21.856 -26.210 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.248 23.872 -26.913 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.798 24.274 -26.200 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.240 22.918 -24.184 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.704 22.467 -24.899 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.668 25.261 -24.923 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.144 22.804 -22.405 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.407 23.801 -21.146 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.297 26.495 -23.276 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.396 25.858 -21.631 1.00 0.00 H new ATOM 605 N MET A 40 -2.724 19.090 -26.303 1.00 0.00 N ATOM 606 CA MET A 40 -3.228 17.722 -26.281 1.00 0.00 C ATOM 607 C MET A 40 -4.391 17.620 -25.284 1.00 0.00 C ATOM 608 O MET A 40 -4.752 18.604 -24.619 1.00 0.00 O ATOM 609 CB MET A 40 -2.074 16.757 -25.869 1.00 0.00 C ATOM 610 CG MET A 40 -1.516 17.007 -24.455 1.00 0.00 C ATOM 611 SD MET A 40 -0.875 18.684 -24.240 1.00 0.00 S ATOM 612 CE MET A 40 -0.683 18.754 -22.464 1.00 0.00 C ATOM 0 H MET A 40 -2.685 19.513 -25.376 1.00 0.00 H new ATOM 0 HA MET A 40 -3.589 17.443 -27.271 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.435 15.730 -25.929 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.262 16.851 -26.590 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.302 16.827 -23.722 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.721 16.290 -24.251 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.261 19.718 -22.181 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.656 18.630 -21.988 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.015 17.956 -22.139 1.00 0.00 H new ATOM 622 N ASP A 41 -4.957 16.415 -25.186 1.00 0.00 N ATOM 623 CA ASP A 41 -5.991 16.081 -24.193 1.00 0.00 C ATOM 624 C ASP A 41 -5.317 15.762 -22.837 1.00 0.00 C ATOM 625 O ASP A 41 -4.139 15.395 -22.804 1.00 0.00 O ATOM 626 CB ASP A 41 -6.824 14.876 -24.710 1.00 0.00 C ATOM 627 CG ASP A 41 -7.962 14.474 -23.760 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.944 15.233 -23.641 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.846 13.443 -23.077 1.00 0.00 O ATOM 0 H ASP A 41 -4.712 15.635 -25.796 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.664 16.926 -24.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.244 15.125 -25.685 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.163 14.022 -24.856 1.00 0.00 H new ATOM 634 N ASN A 42 -6.072 15.917 -21.732 1.00 0.00 N ATOM 635 CA ASN A 42 -5.572 15.667 -20.355 1.00 0.00 C ATOM 636 C ASN A 42 -5.115 14.198 -20.158 1.00 0.00 C ATOM 637 O ASN A 42 -4.143 13.941 -19.442 1.00 0.00 O ATOM 638 CB ASN A 42 -6.650 16.045 -19.293 1.00 0.00 C ATOM 639 CG ASN A 42 -7.892 15.131 -19.262 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.404 14.823 -18.196 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.406 14.723 -20.414 1.00 0.00 N ATOM 0 H ASN A 42 -7.046 16.219 -21.763 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.700 16.305 -20.214 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.185 16.033 -18.307 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.977 17.068 -19.479 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.244 14.141 -20.421 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.964 14.991 -21.293 1.00 0.00 H new ATOM 648 N ASN A 43 -5.828 13.253 -20.804 1.00 0.00 N ATOM 649 CA ASN A 43 -5.486 11.816 -20.761 1.00 0.00 C ATOM 650 C ASN A 43 -4.251 11.529 -21.629 1.00 0.00 C ATOM 651 O ASN A 43 -3.471 10.636 -21.310 1.00 0.00 O ATOM 652 CB ASN A 43 -6.694 10.939 -21.210 1.00 0.00 C ATOM 653 CG ASN A 43 -7.833 10.936 -20.187 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.745 11.761 -20.239 1.00 0.00 O ATOM 655 ND2 ASN A 43 -7.780 10.013 -19.241 1.00 0.00 N ATOM 0 H ASN A 43 -6.652 13.462 -21.367 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.249 11.555 -19.730 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.070 11.306 -22.165 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.355 9.916 -21.373 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.508 9.971 -18.528 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.011 9.343 -19.225 1.00 0.00 H new ATOM 662 N ALA A 44 -4.080 12.305 -22.715 1.00 0.00 N ATOM 663 CA ALA A 44 -2.877 12.231 -23.570 1.00 0.00 C ATOM 664 C ALA A 44 -1.645 12.736 -22.792 1.00 0.00 C ATOM 665 O ALA A 44 -0.542 12.203 -22.936 1.00 0.00 O ATOM 666 CB ALA A 44 -3.081 13.030 -24.868 1.00 0.00 C ATOM 0 H ALA A 44 -4.764 12.996 -23.024 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.706 11.191 -23.847 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.183 12.962 -25.482 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.929 12.621 -25.418 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.276 14.075 -24.625 1.00 0.00 H new ATOM 672 N ALA A 45 -1.869 13.759 -21.947 1.00 0.00 N ATOM 673 CA ALA A 45 -0.848 14.302 -21.039 1.00 0.00 C ATOM 674 C ALA A 45 -0.538 13.309 -19.907 1.00 0.00 C ATOM 675 O ALA A 45 0.580 13.267 -19.421 1.00 0.00 O ATOM 676 CB ALA A 45 -1.317 15.648 -20.469 1.00 0.00 C ATOM 0 H ALA A 45 -2.769 14.233 -21.876 1.00 0.00 H new ATOM 0 HA ALA A 45 0.071 14.461 -21.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.555 16.044 -19.797 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.482 16.351 -21.285 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.247 15.506 -19.919 1.00 0.00 H new ATOM 682 N ALA A 46 -1.551 12.522 -19.495 1.00 0.00 N ATOM 683 CA ALA A 46 -1.404 11.490 -18.446 1.00 0.00 C ATOM 684 C ALA A 46 -0.529 10.324 -18.939 1.00 0.00 C ATOM 685 O ALA A 46 0.397 9.901 -18.241 1.00 0.00 O ATOM 686 CB ALA A 46 -2.787 10.993 -17.983 1.00 0.00 C ATOM 0 H ALA A 46 -2.494 12.583 -19.879 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.901 11.939 -17.590 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.661 10.234 -17.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.358 11.829 -17.580 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.322 10.564 -18.830 1.00 0.00 H new ATOM 692 N ILE A 47 -0.823 9.840 -20.164 1.00 0.00 N ATOM 693 CA ILE A 47 -0.074 8.740 -20.801 1.00 0.00 C ATOM 694 C ILE A 47 1.372 9.177 -21.044 1.00 0.00 C ATOM 695 O ILE A 47 2.308 8.460 -20.675 1.00 0.00 O ATOM 696 CB ILE A 47 -0.740 8.282 -22.162 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.186 7.737 -21.918 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.129 7.235 -22.914 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.267 6.530 -20.995 1.00 0.00 C ATOM 0 H ILE A 47 -1.585 10.201 -20.737 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.093 7.885 -20.125 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.807 9.162 -22.801 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.795 8.538 -21.499 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.626 7.471 -22.879 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.367 6.950 -23.842 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.104 7.667 -23.141 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.260 6.353 -22.287 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.308 6.224 -20.886 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.690 5.708 -21.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.862 6.792 -20.018 1.00 0.00 H new ATOM 711 N LYS A 48 1.539 10.379 -21.634 1.00 0.00 N ATOM 712 CA LYS A 48 2.864 10.913 -21.963 1.00 0.00 C ATOM 713 C LYS A 48 3.666 11.213 -20.681 1.00 0.00 C ATOM 714 O LYS A 48 4.867 11.042 -20.687 1.00 0.00 O ATOM 715 CB LYS A 48 2.770 12.163 -22.886 1.00 0.00 C ATOM 716 CG LYS A 48 4.122 12.601 -23.513 1.00 0.00 C ATOM 717 CD LYS A 48 4.782 11.472 -24.347 1.00 0.00 C ATOM 718 CE LYS A 48 6.136 11.873 -24.951 1.00 0.00 C ATOM 719 NZ LYS A 48 6.017 12.985 -25.932 1.00 0.00 N ATOM 0 H LYS A 48 0.767 10.994 -21.890 1.00 0.00 H new ATOM 0 HA LYS A 48 3.401 10.147 -22.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.062 11.955 -23.688 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.364 12.995 -22.310 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.959 13.471 -24.149 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.804 12.909 -22.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.920 10.596 -23.714 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.106 11.181 -25.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.813 12.170 -24.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.582 11.007 -25.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.953 13.194 -26.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.366 12.707 -26.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.649 13.832 -25.454 1.00 0.00 H new ATOM 733 N ALA A 49 2.984 11.606 -19.581 1.00 0.00 N ATOM 734 CA ALA A 49 3.636 11.844 -18.264 1.00 0.00 C ATOM 735 C ALA A 49 4.280 10.553 -17.728 1.00 0.00 C ATOM 736 O ALA A 49 5.367 10.597 -17.147 1.00 0.00 O ATOM 737 CB ALA A 49 2.634 12.412 -17.242 1.00 0.00 C ATOM 0 H ALA A 49 1.977 11.767 -19.576 1.00 0.00 H new ATOM 0 HA ALA A 49 4.423 12.583 -18.413 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.139 12.576 -16.290 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.237 13.358 -17.609 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.816 11.705 -17.102 1.00 0.00 H new ATOM 743 N LEU A 50 3.592 9.417 -17.951 1.00 0.00 N ATOM 744 CA LEU A 50 4.115 8.074 -17.614 1.00 0.00 C ATOM 745 C LEU A 50 5.283 7.684 -18.541 1.00 0.00 C ATOM 746 O LEU A 50 6.234 7.036 -18.091 1.00 0.00 O ATOM 747 CB LEU A 50 2.981 6.995 -17.665 1.00 0.00 C ATOM 748 CG LEU A 50 2.203 6.747 -16.334 1.00 0.00 C ATOM 749 CD1 LEU A 50 3.139 6.195 -15.239 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.468 8.014 -15.857 1.00 0.00 C ATOM 0 H LEU A 50 2.661 9.401 -18.368 1.00 0.00 H new ATOM 0 HA LEU A 50 4.494 8.115 -16.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.264 7.288 -18.431 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.421 6.051 -17.985 1.00 0.00 H new ATOM 0 HG LEU A 50 1.443 5.992 -16.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.571 6.032 -14.323 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.571 5.251 -15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.938 6.912 -15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.939 7.800 -14.928 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.191 8.812 -15.687 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.753 8.328 -16.618 1.00 0.00 H new ATOM 762 N GLU A 51 5.188 8.068 -19.832 1.00 0.00 N ATOM 763 CA GLU A 51 6.269 7.847 -20.813 1.00 0.00 C ATOM 764 C GLU A 51 7.524 8.624 -20.395 1.00 0.00 C ATOM 765 O GLU A 51 8.629 8.106 -20.473 1.00 0.00 O ATOM 766 CB GLU A 51 5.828 8.269 -22.244 1.00 0.00 C ATOM 767 CG GLU A 51 4.578 7.539 -22.784 1.00 0.00 C ATOM 768 CD GLU A 51 4.776 6.021 -22.942 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.258 5.577 -24.007 1.00 0.00 O ATOM 770 OE2 GLU A 51 4.469 5.264 -21.995 1.00 0.00 O ATOM 0 H GLU A 51 4.368 8.535 -20.219 1.00 0.00 H new ATOM 0 HA GLU A 51 6.496 6.781 -20.833 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.633 9.341 -22.246 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.657 8.094 -22.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.741 7.720 -22.110 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.307 7.965 -23.750 1.00 0.00 H new ATOM 777 N LEU A 52 7.314 9.853 -19.897 1.00 0.00 N ATOM 778 CA LEU A 52 8.396 10.744 -19.460 1.00 0.00 C ATOM 779 C LEU A 52 8.993 10.266 -18.136 1.00 0.00 C ATOM 780 O LEU A 52 10.196 10.385 -17.913 1.00 0.00 O ATOM 781 CB LEU A 52 7.884 12.203 -19.321 1.00 0.00 C ATOM 782 CG LEU A 52 7.300 12.870 -20.603 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.009 14.369 -20.381 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.202 12.626 -21.825 1.00 0.00 C ATOM 0 H LEU A 52 6.384 10.257 -19.786 1.00 0.00 H new ATOM 0 HA LEU A 52 9.177 10.721 -20.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.115 12.221 -18.549 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.709 12.819 -18.963 1.00 0.00 H new ATOM 0 HG LEU A 52 6.343 12.393 -20.816 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.603 14.800 -21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.286 14.484 -19.574 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.933 14.884 -20.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.765 13.105 -22.701 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.190 13.046 -21.637 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.291 11.554 -22.003 1.00 0.00 H new ATOM 796 N TYR A 53 8.133 9.717 -17.271 1.00 0.00 N ATOM 797 CA TYR A 53 8.539 9.233 -15.950 1.00 0.00 C ATOM 798 C TYR A 53 9.413 7.970 -16.071 1.00 0.00 C ATOM 799 O TYR A 53 10.407 7.830 -15.353 1.00 0.00 O ATOM 800 CB TYR A 53 7.297 8.967 -15.054 1.00 0.00 C ATOM 801 CG TYR A 53 7.663 8.509 -13.634 1.00 0.00 C ATOM 802 CD1 TYR A 53 8.333 9.372 -12.766 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.387 7.213 -13.180 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.721 8.960 -11.514 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.765 6.808 -11.917 1.00 0.00 C ATOM 806 CZ TYR A 53 8.435 7.686 -11.092 1.00 0.00 C ATOM 807 OH TYR A 53 8.846 7.282 -9.842 1.00 0.00 O ATOM 0 H TYR A 53 7.139 9.597 -17.468 1.00 0.00 H new ATOM 0 HA TYR A 53 9.138 10.010 -15.474 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.699 9.877 -14.993 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.673 8.207 -15.525 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.550 10.381 -13.084 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.871 6.521 -13.828 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.251 9.639 -10.862 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.537 5.809 -11.576 1.00 0.00 H new ATOM 0 HH TYR A 53 8.567 6.355 -9.690 1.00 0.00 H new ATOM 817 N LYS A 54 9.041 7.062 -16.993 1.00 0.00 N ATOM 818 CA LYS A 54 9.742 5.776 -17.160 1.00 0.00 C ATOM 819 C LYS A 54 11.116 5.982 -17.845 1.00 0.00 C ATOM 820 O LYS A 54 12.087 5.301 -17.500 1.00 0.00 O ATOM 821 CB LYS A 54 8.867 4.758 -17.956 1.00 0.00 C ATOM 822 CG LYS A 54 8.713 5.074 -19.459 1.00 0.00 C ATOM 823 CD LYS A 54 7.795 4.093 -20.219 1.00 0.00 C ATOM 824 CE LYS A 54 7.784 4.385 -21.732 1.00 0.00 C ATOM 825 NZ LYS A 54 6.813 3.535 -22.466 1.00 0.00 N ATOM 0 H LYS A 54 8.259 7.196 -17.634 1.00 0.00 H new ATOM 0 HA LYS A 54 9.918 5.359 -16.169 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.304 3.765 -17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.876 4.720 -17.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.317 6.084 -19.568 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.699 5.066 -19.924 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.132 3.071 -20.047 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.781 4.164 -19.826 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.539 5.435 -21.895 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.783 4.224 -22.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.903 3.708 -23.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.008 2.533 -22.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.847 3.767 -22.159 1.00 0.00 H new ATOM 839 N ILE A 55 11.188 6.941 -18.803 1.00 0.00 N ATOM 840 CA ILE A 55 12.436 7.230 -19.555 1.00 0.00 C ATOM 841 C ILE A 55 13.331 8.229 -18.801 1.00 0.00 C ATOM 842 O ILE A 55 14.492 8.414 -19.175 1.00 0.00 O ATOM 843 CB ILE A 55 12.150 7.781 -21.009 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.485 9.199 -20.982 1.00 0.00 C ATOM 845 CG2 ILE A 55 11.293 6.769 -21.819 1.00 0.00 C ATOM 846 CD1 ILE A 55 11.143 9.783 -22.347 1.00 0.00 C ATOM 0 H ILE A 55 10.397 7.526 -19.073 1.00 0.00 H new ATOM 0 HA ILE A 55 12.957 6.277 -19.646 1.00 0.00 H new ATOM 0 HB ILE A 55 13.111 7.895 -21.511 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.572 9.143 -20.390 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.156 9.887 -20.468 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.107 7.166 -22.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.827 5.822 -21.899 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.343 6.607 -21.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.688 10.765 -22.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.053 9.879 -22.940 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.444 9.123 -22.860 1.00 0.00 H new ATOM 858 N ASN A 56 12.757 8.870 -17.752 1.00 0.00 N ATOM 859 CA ASN A 56 13.410 9.940 -16.973 1.00 0.00 C ATOM 860 C ASN A 56 13.771 11.104 -17.913 1.00 0.00 C ATOM 861 O ASN A 56 14.949 11.367 -18.188 1.00 0.00 O ATOM 862 CB ASN A 56 14.653 9.413 -16.189 1.00 0.00 C ATOM 863 CG ASN A 56 14.380 8.175 -15.317 1.00 0.00 C ATOM 864 OD1 ASN A 56 15.260 7.335 -15.144 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.184 8.047 -14.750 1.00 0.00 N ATOM 0 H ASN A 56 11.816 8.652 -17.423 1.00 0.00 H new ATOM 0 HA ASN A 56 12.712 10.303 -16.218 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.441 9.173 -16.902 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.032 10.213 -15.553 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.984 7.240 -14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.467 8.756 -14.906 1.00 0.00 H new ATOM 872 N ALA A 57 12.721 11.742 -18.453 1.00 0.00 N ATOM 873 CA ALA A 57 12.832 12.806 -19.467 1.00 0.00 C ATOM 874 C ALA A 57 13.361 14.126 -18.886 1.00 0.00 C ATOM 875 O ALA A 57 13.628 14.226 -17.678 1.00 0.00 O ATOM 876 CB ALA A 57 11.470 13.028 -20.141 1.00 0.00 C ATOM 0 H ALA A 57 11.757 11.531 -18.195 1.00 0.00 H new ATOM 0 HA ALA A 57 13.560 12.474 -20.207 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.558 13.816 -20.889 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.147 12.105 -20.622 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.736 13.322 -19.390 1.00 0.00 H new ATOM 882 N LYS A 58 13.518 15.132 -19.783 1.00 0.00 N ATOM 883 CA LYS A 58 13.960 16.482 -19.408 1.00 0.00 C ATOM 884 C LYS A 58 12.915 17.119 -18.474 1.00 0.00 C ATOM 885 O LYS A 58 11.918 17.683 -18.934 1.00 0.00 O ATOM 886 CB LYS A 58 14.175 17.358 -20.677 1.00 0.00 C ATOM 887 CG LYS A 58 15.095 16.727 -21.745 1.00 0.00 C ATOM 888 CD LYS A 58 15.397 17.680 -22.930 1.00 0.00 C ATOM 889 CE LYS A 58 16.278 18.878 -22.526 1.00 0.00 C ATOM 890 NZ LYS A 58 17.586 18.440 -21.955 1.00 0.00 N ATOM 0 H LYS A 58 13.340 15.022 -20.781 1.00 0.00 H new ATOM 0 HA LYS A 58 14.913 16.417 -18.883 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.205 17.565 -21.128 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.596 18.316 -20.374 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.034 16.430 -21.277 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.628 15.819 -22.127 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.894 17.120 -23.722 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.458 18.049 -23.342 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.455 19.508 -23.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.748 19.488 -21.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.231 19.254 -21.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.436 18.053 -21.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.003 17.708 -22.564 1.00 0.00 H new ATOM 904 N LEU A 59 13.141 16.988 -17.156 1.00 0.00 N ATOM 905 CA LEU A 59 12.170 17.396 -16.139 1.00 0.00 C ATOM 906 C LEU A 59 12.368 18.870 -15.764 1.00 0.00 C ATOM 907 O LEU A 59 13.424 19.259 -15.249 1.00 0.00 O ATOM 908 CB LEU A 59 12.277 16.475 -14.893 1.00 0.00 C ATOM 909 CG LEU A 59 11.312 16.785 -13.696 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.830 16.839 -14.129 1.00 0.00 C ATOM 911 CD2 LEU A 59 11.513 15.767 -12.551 1.00 0.00 C ATOM 0 H LEU A 59 14.001 16.597 -16.771 1.00 0.00 H new ATOM 0 HA LEU A 59 11.166 17.292 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.100 15.448 -15.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.301 16.522 -14.524 1.00 0.00 H new ATOM 0 HG LEU A 59 11.571 17.779 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.205 17.057 -13.263 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.698 17.621 -14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.540 15.878 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.833 16.002 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.306 14.762 -12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.542 15.819 -12.195 1.00 0.00 H new ATOM 923 N CYS A 60 11.345 19.683 -16.072 1.00 0.00 N ATOM 924 CA CYS A 60 11.269 21.079 -15.640 1.00 0.00 C ATOM 925 C CYS A 60 10.692 21.132 -14.217 1.00 0.00 C ATOM 926 O CYS A 60 9.502 21.423 -14.009 1.00 0.00 O ATOM 927 CB CYS A 60 10.410 21.899 -16.613 1.00 0.00 C ATOM 928 SG CYS A 60 11.105 22.109 -18.281 1.00 0.00 S ATOM 0 H CYS A 60 10.546 19.384 -16.631 1.00 0.00 H new ATOM 0 HA CYS A 60 12.268 21.515 -15.637 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.435 21.420 -16.702 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.243 22.886 -16.181 1.00 0.00 H new ATOM 933 N ASP A 61 11.538 20.768 -13.255 1.00 0.00 N ATOM 934 CA ASP A 61 11.186 20.742 -11.831 1.00 0.00 C ATOM 935 C ASP A 61 11.611 22.073 -11.163 1.00 0.00 C ATOM 936 O ASP A 61 12.631 22.654 -11.562 1.00 0.00 O ATOM 937 CB ASP A 61 11.858 19.521 -11.135 1.00 0.00 C ATOM 938 CG ASP A 61 13.395 19.554 -11.154 1.00 0.00 C ATOM 939 OD1 ASP A 61 13.987 19.548 -12.252 1.00 0.00 O ATOM 940 OD2 ASP A 61 14.022 19.569 -10.078 1.00 0.00 O ATOM 0 H ASP A 61 12.498 20.479 -13.441 1.00 0.00 H new ATOM 0 HA ASP A 61 10.106 20.635 -11.725 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.519 19.475 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.519 18.607 -11.622 1.00 0.00 H new ATOM 945 N PRO A 62 10.816 22.586 -10.166 1.00 0.00 N ATOM 946 CA PRO A 62 11.173 23.805 -9.403 1.00 0.00 C ATOM 947 C PRO A 62 12.500 23.613 -8.630 1.00 0.00 C ATOM 948 O PRO A 62 12.579 22.766 -7.733 1.00 0.00 O ATOM 949 CB PRO A 62 9.967 23.994 -8.429 1.00 0.00 C ATOM 950 CG PRO A 62 8.842 23.225 -9.059 1.00 0.00 C ATOM 951 CD PRO A 62 9.496 22.050 -9.747 1.00 0.00 C ATOM 0 HA PRO A 62 11.337 24.673 -10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.198 23.613 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.711 25.048 -8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.125 22.892 -8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.294 23.842 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.603 21.199 -9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.912 21.709 -10.601 1.00 0.00 H new ATOM 959 N HIS A 63 13.539 24.364 -9.026 1.00 0.00 N ATOM 960 CA HIS A 63 14.885 24.278 -8.424 1.00 0.00 C ATOM 961 C HIS A 63 15.017 25.285 -7.254 1.00 0.00 C ATOM 962 O HIS A 63 15.091 26.495 -7.501 1.00 0.00 O ATOM 963 CB HIS A 63 15.968 24.543 -9.509 1.00 0.00 C ATOM 964 CG HIS A 63 15.932 23.556 -10.655 1.00 0.00 C ATOM 965 ND1 HIS A 63 15.706 23.919 -11.964 1.00 0.00 N ATOM 966 CD2 HIS A 63 16.100 22.212 -10.674 1.00 0.00 C ATOM 967 CE1 HIS A 63 15.723 22.849 -12.730 1.00 0.00 C ATOM 968 NE2 HIS A 63 15.964 21.798 -11.975 1.00 0.00 N ATOM 0 H HIS A 63 13.472 25.052 -9.776 1.00 0.00 H new ATOM 0 HA HIS A 63 15.033 23.275 -8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.836 25.550 -9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.953 24.510 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.304 21.582 -9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.566 22.835 -13.798 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.037 20.835 -12.303 1.00 0.00 H new ATOM 977 N PRO A 64 15.009 24.811 -5.960 1.00 0.00 N ATOM 978 CA PRO A 64 15.101 25.688 -4.777 1.00 0.00 C ATOM 979 C PRO A 64 16.579 26.023 -4.390 1.00 0.00 C ATOM 980 O PRO A 64 17.259 25.210 -3.713 1.00 0.00 O ATOM 981 CB PRO A 64 14.346 24.869 -3.697 1.00 0.00 C ATOM 982 CG PRO A 64 14.545 23.418 -4.071 1.00 0.00 C ATOM 983 CD PRO A 64 14.902 23.382 -5.555 1.00 0.00 C ATOM 984 OXT PRO A 64 17.054 27.108 -4.780 1.00 0.00 O ATOM 0 HA PRO A 64 14.670 26.677 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.741 25.075 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.287 25.127 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.339 22.971 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.639 22.843 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.840 22.853 -5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.136 22.864 -6.133 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.831 23.538 -19.614 1.00 0.00 ZN