USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 175:sc= -1.05 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -2.06 X(o=-3.6,f=-4.1) USER MOD Set 1.3: A 62 CYS SG : rot 51:sc= -0.0999 USER MOD Set 1.4: A 65 CYS SG : rot -41:sc= -0.408 USER MOD Set 2.1: A 22 CYS SG : rot 50:sc= 1.47 USER MOD Set 2.2: A 25 CYS SG : rot -56:sc= -2.06 USER MOD Set 2.3: A 42 CYS SG : rot 70:sc= 1.09 USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= -0.624 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 66:sc= 0.988 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00839) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 88:sc= 0.377 USER MOD Single : A 49 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.000387 K(o=-0.00039,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0644) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 34.379 -21.204 -22.765 1.00 0.00 N ATOM 31 CA GLY A 4 33.123 -21.510 -22.106 1.00 0.00 C ATOM 32 C GLY A 4 32.486 -22.781 -22.631 1.00 0.00 C ATOM 33 O GLY A 4 33.169 -23.640 -23.189 1.00 0.00 O ATOM 0 HA2 GLY A 4 33.294 -21.609 -21.034 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.432 -20.678 -22.243 1.00 0.00 H new ATOM 37 N SER A 5 31.175 -22.903 -22.451 1.00 0.00 N ATOM 38 CA SER A 5 30.447 -24.082 -22.906 1.00 0.00 C ATOM 39 C SER A 5 28.961 -23.776 -23.062 1.00 0.00 C ATOM 40 O SER A 5 28.499 -22.692 -22.708 1.00 0.00 O ATOM 41 CB SER A 5 30.641 -25.238 -21.923 1.00 0.00 C ATOM 42 OG SER A 5 30.231 -26.468 -22.495 1.00 0.00 O ATOM 0 H SER A 5 30.595 -22.200 -21.993 1.00 0.00 H new ATOM 0 HA SER A 5 30.845 -24.371 -23.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.690 -25.300 -21.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.069 -25.047 -21.015 1.00 0.00 H new ATOM 0 HG SER A 5 30.367 -27.191 -21.848 1.00 0.00 H new ATOM 48 N SER A 6 28.217 -24.741 -23.595 1.00 0.00 N ATOM 49 CA SER A 6 26.784 -24.575 -23.802 1.00 0.00 C ATOM 50 C SER A 6 26.024 -25.827 -23.374 1.00 0.00 C ATOM 51 O SER A 6 26.597 -26.911 -23.276 1.00 0.00 O ATOM 52 CB SER A 6 26.492 -24.265 -25.272 1.00 0.00 C ATOM 53 OG SER A 6 25.346 -23.441 -25.402 1.00 0.00 O ATOM 0 H SER A 6 28.584 -25.646 -23.891 1.00 0.00 H new ATOM 0 HA SER A 6 26.448 -23.740 -23.188 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.353 -23.769 -25.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.339 -25.195 -25.820 1.00 0.00 H new ATOM 0 HG SER A 6 25.182 -23.256 -26.350 1.00 0.00 H new ATOM 59 N GLY A 7 24.729 -25.667 -23.120 1.00 0.00 N ATOM 60 CA GLY A 7 23.911 -26.792 -22.705 1.00 0.00 C ATOM 61 C GLY A 7 22.619 -26.891 -23.492 1.00 0.00 C ATOM 62 O GLY A 7 22.297 -26.004 -24.282 1.00 0.00 O ATOM 0 H GLY A 7 24.232 -24.779 -23.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.479 -27.715 -22.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.680 -26.698 -21.644 1.00 0.00 H new ATOM 66 N MET A 8 21.878 -27.973 -23.276 1.00 0.00 N ATOM 67 CA MET A 8 20.614 -28.184 -23.973 1.00 0.00 C ATOM 68 C MET A 8 19.558 -28.745 -23.025 1.00 0.00 C ATOM 69 O MET A 8 19.839 -29.639 -22.227 1.00 0.00 O ATOM 70 CB MET A 8 20.811 -29.135 -25.155 1.00 0.00 C ATOM 71 CG MET A 8 21.351 -30.498 -24.755 1.00 0.00 C ATOM 72 SD MET A 8 23.130 -30.483 -24.462 1.00 0.00 S ATOM 73 CE MET A 8 23.666 -31.788 -25.566 1.00 0.00 C ATOM 0 H MET A 8 22.130 -28.716 -22.625 1.00 0.00 H new ATOM 0 HA MET A 8 20.268 -27.220 -24.346 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.858 -29.267 -25.667 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.496 -28.677 -25.869 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.841 -30.836 -23.853 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.122 -31.219 -25.539 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.748 -31.900 -25.498 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.186 -32.724 -25.283 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.391 -31.534 -26.590 1.00 0.00 H new ATOM 83 N ALA A 9 18.344 -28.213 -23.118 1.00 0.00 N ATOM 84 CA ALA A 9 17.247 -28.662 -22.270 1.00 0.00 C ATOM 85 C ALA A 9 15.905 -28.498 -22.975 1.00 0.00 C ATOM 86 O ALA A 9 15.509 -27.387 -23.326 1.00 0.00 O ATOM 87 CB ALA A 9 17.250 -27.898 -20.954 1.00 0.00 C ATOM 0 H ALA A 9 18.095 -27.471 -23.772 1.00 0.00 H new ATOM 0 HA ALA A 9 17.392 -29.722 -22.063 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.425 -28.244 -20.331 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.193 -28.070 -20.436 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.133 -26.832 -21.152 1.00 0.00 H new ATOM 93 N SER A 10 15.210 -29.612 -23.181 1.00 0.00 N ATOM 94 CA SER A 10 13.914 -29.593 -23.850 1.00 0.00 C ATOM 95 C SER A 10 12.975 -28.591 -23.185 1.00 0.00 C ATOM 96 O SER A 10 13.121 -28.276 -22.004 1.00 0.00 O ATOM 97 CB SER A 10 13.286 -30.987 -23.832 1.00 0.00 C ATOM 98 OG SER A 10 12.222 -31.080 -24.764 1.00 0.00 O ATOM 0 H SER A 10 15.523 -30.540 -22.894 1.00 0.00 H new ATOM 0 HA SER A 10 14.071 -29.287 -24.884 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.045 -31.734 -24.066 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.917 -31.210 -22.831 1.00 0.00 H new ATOM 0 HG SER A 10 11.839 -31.981 -24.734 1.00 0.00 H new ATOM 104 N SER A 11 12.011 -28.094 -23.952 1.00 0.00 N ATOM 105 CA SER A 11 11.049 -27.125 -23.440 1.00 0.00 C ATOM 106 C SER A 11 9.637 -27.459 -23.911 1.00 0.00 C ATOM 107 O SER A 11 9.355 -27.466 -25.109 1.00 0.00 O ATOM 108 CB SER A 11 11.427 -25.712 -23.890 1.00 0.00 C ATOM 109 OG SER A 11 12.706 -25.346 -23.400 1.00 0.00 O ATOM 0 H SER A 11 11.875 -28.346 -24.931 1.00 0.00 H new ATOM 0 HA SER A 11 11.071 -27.171 -22.351 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.423 -25.660 -24.979 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.681 -25.002 -23.534 1.00 0.00 H new ATOM 0 HG SER A 11 12.925 -24.440 -23.702 1.00 0.00 H new ATOM 115 N VAL A 12 8.753 -27.737 -22.958 1.00 0.00 N ATOM 116 CA VAL A 12 7.369 -28.072 -23.274 1.00 0.00 C ATOM 117 C VAL A 12 6.522 -26.815 -23.434 1.00 0.00 C ATOM 118 O VAL A 12 6.883 -25.743 -22.946 1.00 0.00 O ATOM 119 CB VAL A 12 6.745 -28.963 -22.183 1.00 0.00 C ATOM 120 CG1 VAL A 12 7.501 -30.278 -22.070 1.00 0.00 C ATOM 121 CG2 VAL A 12 6.723 -28.234 -20.848 1.00 0.00 C ATOM 0 H VAL A 12 8.970 -27.737 -21.961 1.00 0.00 H new ATOM 0 HA VAL A 12 7.383 -28.619 -24.217 1.00 0.00 H new ATOM 0 HB VAL A 12 5.716 -29.187 -22.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.046 -30.894 -21.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.459 -30.805 -23.023 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.541 -30.079 -21.811 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.279 -28.878 -20.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.742 -27.978 -20.556 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.133 -27.322 -20.941 1.00 0.00 H new ATOM 131 N LEU A 13 5.393 -26.952 -24.121 1.00 0.00 N ATOM 132 CA LEU A 13 4.493 -25.827 -24.346 1.00 0.00 C ATOM 133 C LEU A 13 3.213 -25.982 -23.531 1.00 0.00 C ATOM 134 O LEU A 13 2.739 -27.096 -23.308 1.00 0.00 O ATOM 135 CB LEU A 13 4.153 -25.709 -25.832 1.00 0.00 C ATOM 136 CG LEU A 13 2.951 -24.829 -26.179 1.00 0.00 C ATOM 137 CD1 LEU A 13 3.283 -23.361 -25.959 1.00 0.00 C ATOM 138 CD2 LEU A 13 2.512 -25.069 -27.616 1.00 0.00 C ATOM 0 H LEU A 13 5.079 -27.831 -24.532 1.00 0.00 H new ATOM 0 HA LEU A 13 5.000 -24.918 -24.023 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.026 -25.318 -26.354 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.970 -26.710 -26.223 1.00 0.00 H new ATOM 0 HG LEU A 13 2.126 -25.097 -25.519 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.416 -22.750 -26.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.548 -23.201 -24.914 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.123 -23.079 -26.594 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.656 -24.435 -27.846 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.333 -24.829 -28.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.232 -26.115 -27.741 1.00 0.00 H new ATOM 150 N GLU A 14 2.657 -24.858 -23.090 1.00 0.00 N ATOM 151 CA GLU A 14 1.431 -24.870 -22.301 1.00 0.00 C ATOM 152 C GLU A 14 0.865 -23.461 -22.153 1.00 0.00 C ATOM 153 O GLU A 14 1.507 -22.480 -22.527 1.00 0.00 O ATOM 154 CB GLU A 14 1.693 -25.475 -20.920 1.00 0.00 C ATOM 155 CG GLU A 14 2.486 -24.564 -19.998 1.00 0.00 C ATOM 156 CD GLU A 14 3.980 -24.646 -20.240 1.00 0.00 C ATOM 157 OE1 GLU A 14 4.599 -25.637 -19.798 1.00 0.00 O ATOM 158 OE2 GLU A 14 4.532 -23.721 -20.872 1.00 0.00 O ATOM 0 H GLU A 14 3.036 -23.928 -23.266 1.00 0.00 H new ATOM 0 HA GLU A 14 0.698 -25.483 -22.825 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.739 -25.713 -20.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.232 -26.415 -21.040 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.155 -23.535 -20.138 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.275 -24.829 -18.962 1.00 0.00 H new ATOM 165 N MET A 15 -0.342 -23.369 -21.604 1.00 0.00 N ATOM 166 CA MET A 15 -0.995 -22.080 -21.406 1.00 0.00 C ATOM 167 C MET A 15 -0.288 -21.274 -20.320 1.00 0.00 C ATOM 168 O MET A 15 -0.521 -21.482 -19.129 1.00 0.00 O ATOM 169 CB MET A 15 -2.465 -22.281 -21.032 1.00 0.00 C ATOM 170 CG MET A 15 -2.663 -23.072 -19.749 1.00 0.00 C ATOM 171 SD MET A 15 -4.301 -23.817 -19.639 1.00 0.00 S ATOM 172 CE MET A 15 -3.985 -25.164 -18.501 1.00 0.00 C ATOM 0 H MET A 15 -0.887 -24.171 -21.289 1.00 0.00 H new ATOM 0 HA MET A 15 -0.938 -21.524 -22.342 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.941 -21.306 -20.925 1.00 0.00 H new ATOM 0 HB3 MET A 15 -2.972 -22.795 -21.848 1.00 0.00 H new ATOM 0 HG2 MET A 15 -1.907 -23.855 -19.689 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.509 -22.414 -18.894 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.906 -25.721 -18.332 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.232 -25.829 -18.924 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.624 -24.763 -17.554 1.00 0.00 H new ATOM 182 N ILE A 16 0.576 -20.356 -20.740 1.00 0.00 N ATOM 183 CA ILE A 16 1.316 -19.519 -19.803 1.00 0.00 C ATOM 184 C ILE A 16 0.482 -18.323 -19.358 1.00 0.00 C ATOM 185 O ILE A 16 -0.327 -17.796 -20.122 1.00 0.00 O ATOM 186 CB ILE A 16 2.632 -19.012 -20.420 1.00 0.00 C ATOM 187 CG1 ILE A 16 3.358 -20.152 -21.137 1.00 0.00 C ATOM 188 CG2 ILE A 16 3.521 -18.403 -19.345 1.00 0.00 C ATOM 189 CD1 ILE A 16 4.182 -19.695 -22.321 1.00 0.00 C ATOM 0 H ILE A 16 0.781 -20.173 -21.722 1.00 0.00 H new ATOM 0 HA ILE A 16 1.546 -20.141 -18.938 1.00 0.00 H new ATOM 0 HB ILE A 16 2.398 -18.239 -21.152 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.009 -20.661 -20.426 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.624 -20.883 -21.476 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.448 -18.049 -19.797 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.003 -17.566 -18.876 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.749 -19.157 -18.592 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.668 -20.556 -22.780 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.533 -19.212 -23.052 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.940 -18.987 -21.985 1.00 0.00 H new ATOM 201 N LYS A 17 0.685 -17.897 -18.116 1.00 0.00 N ATOM 202 CA LYS A 17 -0.046 -16.760 -17.567 1.00 0.00 C ATOM 203 C LYS A 17 0.508 -15.446 -18.108 1.00 0.00 C ATOM 204 O LYS A 17 0.855 -14.547 -17.342 1.00 0.00 O ATOM 205 CB LYS A 17 0.031 -16.768 -16.039 1.00 0.00 C ATOM 206 CG LYS A 17 -1.031 -17.632 -15.381 1.00 0.00 C ATOM 207 CD LYS A 17 -0.669 -19.107 -15.445 1.00 0.00 C ATOM 208 CE LYS A 17 -1.691 -19.964 -14.714 1.00 0.00 C ATOM 209 NZ LYS A 17 -2.895 -20.226 -15.550 1.00 0.00 N ATOM 0 H LYS A 17 1.350 -18.322 -17.470 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.089 -16.848 -17.872 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.016 -17.123 -15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.066 -15.746 -15.673 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.153 -17.331 -14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.990 -17.470 -15.874 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.606 -19.422 -16.486 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.317 -19.260 -15.006 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.233 -20.911 -14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.990 -19.465 -13.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.567 -20.813 -15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.347 -19.323 -15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.613 -20.725 -16.418 1.00 0.00 H new ATOM 269 N THR A 21 0.511 -11.376 -15.349 1.00 0.00 N ATOM 270 CA THR A 21 1.865 -10.900 -15.095 1.00 0.00 C ATOM 271 C THR A 21 1.963 -9.391 -15.293 1.00 0.00 C ATOM 272 O THR A 21 1.319 -8.828 -16.178 1.00 0.00 O ATOM 273 CB THR A 21 2.887 -11.594 -16.014 1.00 0.00 C ATOM 274 OG1 THR A 21 2.552 -12.979 -16.161 1.00 0.00 O ATOM 275 CG2 THR A 21 4.295 -11.464 -15.454 1.00 0.00 C ATOM 0 HA THR A 21 2.096 -11.144 -14.058 1.00 0.00 H new ATOM 0 HB THR A 21 2.855 -11.107 -16.989 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.703 -13.061 -16.644 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.999 -11.962 -16.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.558 -10.409 -15.371 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.339 -11.927 -14.468 1.00 0.00 H new ATOM 283 N CYS A 22 2.774 -8.742 -14.464 1.00 0.00 N ATOM 284 CA CYS A 22 2.958 -7.298 -14.548 1.00 0.00 C ATOM 285 C CYS A 22 3.270 -6.872 -15.979 1.00 0.00 C ATOM 286 O CYS A 22 4.266 -7.285 -16.573 1.00 0.00 O ATOM 287 CB CYS A 22 4.084 -6.851 -13.614 1.00 0.00 C ATOM 288 SG CYS A 22 4.027 -5.085 -13.172 1.00 0.00 S ATOM 0 H CYS A 22 3.314 -9.194 -13.726 1.00 0.00 H new ATOM 0 HA CYS A 22 2.028 -6.820 -14.240 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.041 -7.445 -12.701 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.042 -7.065 -14.089 1.00 0.00 H new ATOM 0 HG CYS A 22 2.831 -4.778 -12.766 1.00 0.00 H new ATOM 293 N PRO A 23 2.399 -6.025 -16.547 1.00 0.00 N ATOM 294 CA PRO A 23 2.560 -5.523 -17.915 1.00 0.00 C ATOM 295 C PRO A 23 3.733 -4.557 -18.044 1.00 0.00 C ATOM 296 O PRO A 23 3.975 -3.999 -19.114 1.00 0.00 O ATOM 297 CB PRO A 23 1.239 -4.799 -18.186 1.00 0.00 C ATOM 298 CG PRO A 23 0.739 -4.408 -16.838 1.00 0.00 C ATOM 299 CD PRO A 23 1.189 -5.492 -15.898 1.00 0.00 C ATOM 0 HA PRO A 23 2.774 -6.326 -18.621 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.389 -3.926 -18.821 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.529 -5.448 -18.699 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.141 -3.440 -16.538 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.347 -4.316 -16.836 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.406 -5.098 -14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.426 -6.261 -15.777 1.00 0.00 H new ATOM 307 N ILE A 24 4.458 -4.365 -16.947 1.00 0.00 N ATOM 308 CA ILE A 24 5.607 -3.468 -16.939 1.00 0.00 C ATOM 309 C ILE A 24 6.915 -4.250 -16.907 1.00 0.00 C ATOM 310 O ILE A 24 7.681 -4.240 -17.871 1.00 0.00 O ATOM 311 CB ILE A 24 5.564 -2.510 -15.733 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.320 -1.623 -15.802 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.825 -1.661 -15.687 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.971 -0.967 -14.484 1.00 0.00 C ATOM 0 H ILE A 24 4.270 -4.818 -16.053 1.00 0.00 H new ATOM 0 HA ILE A 24 5.559 -2.884 -17.858 1.00 0.00 H new ATOM 0 HB ILE A 24 5.514 -3.102 -14.819 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.477 -0.849 -16.553 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.474 -2.224 -16.135 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.780 -0.989 -14.830 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.697 -2.309 -15.595 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.903 -1.076 -16.603 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.079 -0.353 -14.608 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.782 -1.735 -13.734 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.801 -0.339 -14.159 1.00 0.00 H new ATOM 326 N CYS A 25 7.166 -4.928 -15.792 1.00 0.00 N ATOM 327 CA CYS A 25 8.381 -5.718 -15.634 1.00 0.00 C ATOM 328 C CYS A 25 8.216 -7.101 -16.257 1.00 0.00 C ATOM 329 O CYS A 25 9.194 -7.737 -16.652 1.00 0.00 O ATOM 330 CB CYS A 25 8.736 -5.853 -14.152 1.00 0.00 C ATOM 331 SG CYS A 25 7.358 -6.423 -13.105 1.00 0.00 S ATOM 0 H CYS A 25 6.544 -4.946 -14.984 1.00 0.00 H new ATOM 0 HA CYS A 25 9.191 -5.201 -16.150 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.567 -6.551 -14.051 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.083 -4.888 -13.783 1.00 0.00 H new ATOM 0 HG CYS A 25 6.342 -5.625 -13.252 1.00 0.00 H new ATOM 336 N LEU A 26 6.972 -7.561 -16.341 1.00 0.00 N ATOM 337 CA LEU A 26 6.678 -8.869 -16.916 1.00 0.00 C ATOM 338 C LEU A 26 7.260 -9.986 -16.056 1.00 0.00 C ATOM 339 O LEU A 26 7.953 -10.871 -16.556 1.00 0.00 O ATOM 340 CB LEU A 26 7.237 -8.961 -18.337 1.00 0.00 C ATOM 341 CG LEU A 26 6.835 -7.835 -19.291 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.665 -7.892 -20.564 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.351 -7.916 -19.616 1.00 0.00 C ATOM 0 H LEU A 26 6.152 -7.048 -16.018 1.00 0.00 H new ATOM 0 HA LEU A 26 5.595 -8.988 -16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.325 -8.988 -18.277 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.918 -9.909 -18.771 1.00 0.00 H new ATOM 0 HG LEU A 26 7.027 -6.882 -18.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.365 -7.083 -21.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.721 -7.784 -20.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.505 -8.849 -21.060 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.083 -7.107 -20.296 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.134 -8.874 -20.088 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.772 -7.825 -18.697 1.00 0.00 H new ATOM 355 N GLU A 27 6.970 -9.939 -14.759 1.00 0.00 N ATOM 356 CA GLU A 27 7.464 -10.948 -13.830 1.00 0.00 C ATOM 357 C GLU A 27 6.502 -11.125 -12.658 1.00 0.00 C ATOM 358 O GLU A 27 5.659 -10.266 -12.396 1.00 0.00 O ATOM 359 CB GLU A 27 8.851 -10.562 -13.312 1.00 0.00 C ATOM 360 CG GLU A 27 8.814 -9.630 -12.112 1.00 0.00 C ATOM 361 CD GLU A 27 10.193 -9.142 -11.710 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.775 -8.329 -12.458 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.689 -9.574 -10.649 1.00 0.00 O ATOM 0 H GLU A 27 6.396 -9.214 -14.329 1.00 0.00 H new ATOM 0 HA GLU A 27 7.535 -11.894 -14.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.394 -11.468 -13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.410 -10.084 -14.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.182 -8.772 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.355 -10.147 -11.269 1.00 0.00 H new ATOM 370 N LEU A 28 6.635 -12.246 -11.956 1.00 0.00 N ATOM 371 CA LEU A 28 5.778 -12.537 -10.812 1.00 0.00 C ATOM 372 C LEU A 28 5.415 -11.259 -10.064 1.00 0.00 C ATOM 373 O LEU A 28 6.291 -10.509 -9.631 1.00 0.00 O ATOM 374 CB LEU A 28 6.475 -13.516 -9.864 1.00 0.00 C ATOM 375 CG LEU A 28 6.261 -15.001 -10.157 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.801 -15.379 -9.960 1.00 0.00 C ATOM 377 CD2 LEU A 28 6.715 -15.337 -11.570 1.00 0.00 C ATOM 0 H LEU A 28 7.327 -12.967 -12.159 1.00 0.00 H new ATOM 0 HA LEU A 28 4.860 -12.991 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.546 -13.312 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.133 -13.313 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 28 6.863 -15.580 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.668 -16.440 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.509 -15.176 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.179 -14.792 -10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.555 -16.398 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.141 -14.749 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.775 -15.105 -11.677 1.00 0.00 H new ATOM 389 N LEU A 29 4.117 -11.016 -9.913 1.00 0.00 N ATOM 390 CA LEU A 29 3.637 -9.829 -9.215 1.00 0.00 C ATOM 391 C LEU A 29 3.791 -9.986 -7.705 1.00 0.00 C ATOM 392 O LEU A 29 3.320 -10.961 -7.120 1.00 0.00 O ATOM 393 CB LEU A 29 2.171 -9.565 -9.565 1.00 0.00 C ATOM 394 CG LEU A 29 1.900 -9.060 -10.982 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.528 -9.512 -11.457 1.00 0.00 C ATOM 396 CD2 LEU A 29 2.013 -7.543 -11.038 1.00 0.00 C ATOM 0 H LEU A 29 3.379 -11.626 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 29 4.240 -8.980 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.611 -10.488 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.775 -8.835 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 29 2.650 -9.485 -11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.353 -9.143 -12.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.483 -10.601 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.237 -9.116 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.817 -7.201 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.285 -7.099 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.018 -7.242 -10.741 1.00 0.00 H new ATOM 408 N LYS A 30 4.451 -9.018 -7.079 1.00 0.00 N ATOM 409 CA LYS A 30 4.665 -9.045 -5.637 1.00 0.00 C ATOM 410 C LYS A 30 3.767 -8.031 -4.935 1.00 0.00 C ATOM 411 O LYS A 30 3.941 -6.823 -5.091 1.00 0.00 O ATOM 412 CB LYS A 30 6.132 -8.754 -5.313 1.00 0.00 C ATOM 413 CG LYS A 30 7.104 -9.709 -5.983 1.00 0.00 C ATOM 414 CD LYS A 30 8.475 -9.658 -5.330 1.00 0.00 C ATOM 415 CE LYS A 30 9.561 -10.148 -6.276 1.00 0.00 C ATOM 416 NZ LYS A 30 9.372 -11.578 -6.644 1.00 0.00 N ATOM 0 H LYS A 30 4.848 -8.204 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 30 4.410 -10.041 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.368 -7.735 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.274 -8.803 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.712 -10.725 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.194 -9.457 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.694 -8.636 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.473 -10.270 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.559 -9.537 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.536 -10.020 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.160 -11.888 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.349 -12.158 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.476 -11.688 -7.160 1.00 0.00 H new ATOM 430 N GLU A 31 2.809 -8.531 -4.161 1.00 0.00 N ATOM 431 CA GLU A 31 1.886 -7.668 -3.435 1.00 0.00 C ATOM 432 C GLU A 31 1.352 -6.560 -4.339 1.00 0.00 C ATOM 433 O GLU A 31 1.419 -5.374 -4.015 1.00 0.00 O ATOM 434 CB GLU A 31 2.577 -7.057 -2.214 1.00 0.00 C ATOM 435 CG GLU A 31 2.456 -7.904 -0.959 1.00 0.00 C ATOM 436 CD GLU A 31 3.371 -7.431 0.154 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.593 -7.673 0.059 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.866 -6.821 1.119 1.00 0.00 O ATOM 0 H GLU A 31 2.652 -9.529 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 31 1.046 -8.277 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.633 -6.908 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.151 -6.073 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.424 -7.883 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.690 -8.941 -1.201 1.00 0.00 H new ATOM 445 N PRO A 32 0.810 -6.955 -5.501 1.00 0.00 N ATOM 446 CA PRO A 32 0.254 -6.011 -6.476 1.00 0.00 C ATOM 447 C PRO A 32 -1.034 -5.360 -5.983 1.00 0.00 C ATOM 448 O PRO A 32 -1.684 -5.862 -5.066 1.00 0.00 O ATOM 449 CB PRO A 32 -0.024 -6.888 -7.699 1.00 0.00 C ATOM 450 CG PRO A 32 -0.210 -8.260 -7.147 1.00 0.00 C ATOM 451 CD PRO A 32 0.697 -8.352 -5.952 1.00 0.00 C ATOM 0 HA PRO A 32 0.933 -5.182 -6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.913 -6.552 -8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.804 -6.855 -8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.249 -8.429 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.044 -9.017 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.276 -8.992 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.669 -8.769 -6.216 1.00 0.00 H new ATOM 459 N VAL A 33 -1.397 -4.239 -6.598 1.00 0.00 N ATOM 460 CA VAL A 33 -2.609 -3.519 -6.223 1.00 0.00 C ATOM 461 C VAL A 33 -3.445 -3.175 -7.450 1.00 0.00 C ATOM 462 O VAL A 33 -2.976 -2.496 -8.363 1.00 0.00 O ATOM 463 CB VAL A 33 -2.278 -2.223 -5.460 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.804 -2.539 -4.049 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.233 -1.414 -6.213 1.00 0.00 C ATOM 0 H VAL A 33 -0.869 -3.810 -7.358 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.181 -4.179 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.186 -1.624 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.575 -1.611 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.588 -3.074 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.909 -3.159 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.011 -0.502 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.323 -2.004 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.615 -1.155 -7.201 1.00 0.00 H new ATOM 475 N SER A 34 -4.688 -3.648 -7.464 1.00 0.00 N ATOM 476 CA SER A 34 -5.590 -3.392 -8.580 1.00 0.00 C ATOM 477 C SER A 34 -6.033 -1.933 -8.598 1.00 0.00 C ATOM 478 O SER A 34 -5.804 -1.191 -7.643 1.00 0.00 O ATOM 479 CB SER A 34 -6.813 -4.308 -8.495 1.00 0.00 C ATOM 480 OG SER A 34 -7.311 -4.614 -9.785 1.00 0.00 O ATOM 0 H SER A 34 -5.092 -4.210 -6.715 1.00 0.00 H new ATOM 0 HA SER A 34 -5.052 -3.601 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.546 -5.229 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.593 -3.825 -7.906 1.00 0.00 H new ATOM 0 HG SER A 34 -8.091 -5.202 -9.704 1.00 0.00 H new ATOM 486 N ALA A 35 -6.671 -1.528 -9.692 1.00 0.00 N ATOM 487 CA ALA A 35 -7.149 -0.158 -9.834 1.00 0.00 C ATOM 488 C ALA A 35 -8.524 -0.122 -10.492 1.00 0.00 C ATOM 489 O ALA A 35 -9.129 -1.164 -10.745 1.00 0.00 O ATOM 490 CB ALA A 35 -6.155 0.667 -10.638 1.00 0.00 C ATOM 0 H ALA A 35 -6.869 -2.129 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.241 0.274 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.525 1.688 -10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.193 0.677 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.035 0.228 -11.628 1.00 0.00 H new ATOM 496 N ASP A 36 -9.013 1.082 -10.765 1.00 0.00 N ATOM 497 CA ASP A 36 -10.317 1.254 -11.394 1.00 0.00 C ATOM 498 C ASP A 36 -10.409 0.445 -12.684 1.00 0.00 C ATOM 499 O ASP A 36 -11.452 -0.131 -12.995 1.00 0.00 O ATOM 500 CB ASP A 36 -10.576 2.733 -11.686 1.00 0.00 C ATOM 501 CG ASP A 36 -12.049 3.036 -11.878 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.562 2.806 -12.994 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.689 3.502 -10.913 1.00 0.00 O ATOM 0 H ASP A 36 -8.526 1.954 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.077 0.890 -10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.188 3.336 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.028 3.025 -12.582 1.00 0.00 H new ATOM 508 N CYS A 37 -9.311 0.406 -13.431 1.00 0.00 N ATOM 509 CA CYS A 37 -9.267 -0.331 -14.689 1.00 0.00 C ATOM 510 C CYS A 37 -8.873 -1.786 -14.453 1.00 0.00 C ATOM 511 O CYS A 37 -8.139 -2.377 -15.243 1.00 0.00 O ATOM 512 CB CYS A 37 -8.279 0.326 -15.654 1.00 0.00 C ATOM 513 SG CYS A 37 -6.642 0.663 -14.929 1.00 0.00 S ATOM 0 H CYS A 37 -8.439 0.876 -13.187 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.264 -0.310 -15.129 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.153 -0.319 -16.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.706 1.263 -16.012 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.842 1.109 -15.852 1.00 0.00 H new ATOM 518 N ASN A 38 -9.368 -2.358 -13.359 1.00 0.00 N ATOM 519 CA ASN A 38 -9.068 -3.744 -13.018 1.00 0.00 C ATOM 520 C ASN A 38 -7.640 -4.105 -13.417 1.00 0.00 C ATOM 521 O ASN A 38 -7.373 -5.219 -13.868 1.00 0.00 O ATOM 522 CB ASN A 38 -10.056 -4.686 -13.709 1.00 0.00 C ATOM 523 CG ASN A 38 -11.495 -4.236 -13.543 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.098 -3.695 -14.470 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.052 -4.460 -12.359 1.00 0.00 N ATOM 0 H ASN A 38 -9.978 -1.883 -12.694 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.164 -3.856 -11.938 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.816 -4.744 -14.771 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.943 -5.690 -13.301 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.018 -4.180 -12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.514 -4.912 -11.620 1.00 0.00 H new ATOM 532 N HIS A 39 -6.726 -3.155 -13.246 1.00 0.00 N ATOM 533 CA HIS A 39 -5.324 -3.374 -13.587 1.00 0.00 C ATOM 534 C HIS A 39 -4.442 -3.281 -12.345 1.00 0.00 C ATOM 535 O HIS A 39 -4.387 -2.242 -11.688 1.00 0.00 O ATOM 536 CB HIS A 39 -4.866 -2.354 -14.630 1.00 0.00 C ATOM 537 CG HIS A 39 -5.452 -2.583 -15.989 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.421 -1.636 -16.991 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.084 -3.660 -16.511 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.011 -2.120 -18.069 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.422 -3.347 -17.805 1.00 0.00 N ATOM 0 H HIS A 39 -6.930 -2.227 -12.874 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.229 -4.377 -14.004 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.136 -1.354 -14.291 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.779 -2.384 -14.702 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.007 -0.707 -16.912 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.285 -4.592 -16.004 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.136 -1.600 -19.007 1.00 0.00 H new ATOM 549 N SER A 40 -3.755 -4.374 -12.030 1.00 0.00 N ATOM 550 CA SER A 40 -2.879 -4.417 -10.865 1.00 0.00 C ATOM 551 C SER A 40 -1.413 -4.424 -11.287 1.00 0.00 C ATOM 552 O SER A 40 -1.071 -4.885 -12.376 1.00 0.00 O ATOM 553 CB SER A 40 -3.184 -5.654 -10.018 1.00 0.00 C ATOM 554 OG SER A 40 -3.281 -6.814 -10.825 1.00 0.00 O ATOM 0 H SER A 40 -3.788 -5.242 -12.565 1.00 0.00 H new ATOM 0 HA SER A 40 -3.063 -3.523 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.400 -5.790 -9.273 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.118 -5.506 -9.475 1.00 0.00 H new ATOM 0 HG SER A 40 -3.475 -7.591 -10.260 1.00 0.00 H new ATOM 560 N PHE A 41 -0.551 -3.909 -10.417 1.00 0.00 N ATOM 561 CA PHE A 41 0.879 -3.854 -10.698 1.00 0.00 C ATOM 562 C PHE A 41 1.691 -3.987 -9.414 1.00 0.00 C ATOM 563 O PHE A 41 1.194 -3.717 -8.320 1.00 0.00 O ATOM 564 CB PHE A 41 1.231 -2.544 -11.405 1.00 0.00 C ATOM 565 CG PHE A 41 0.158 -2.058 -12.337 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.956 -1.396 -11.846 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.262 -2.264 -13.703 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.946 -0.947 -12.700 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.724 -1.817 -14.562 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.830 -1.159 -14.060 1.00 0.00 C ATOM 0 H PHE A 41 -0.818 -3.524 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 41 1.128 -4.690 -11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.425 -1.777 -10.655 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.155 -2.681 -11.967 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.052 -1.229 -10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.123 -2.780 -14.101 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.809 -0.431 -12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.630 -1.982 -15.625 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.603 -0.811 -14.730 1.00 0.00 H new ATOM 580 N CYS A 42 2.945 -4.404 -9.554 1.00 0.00 N ATOM 581 CA CYS A 42 3.828 -4.574 -8.406 1.00 0.00 C ATOM 582 C CYS A 42 3.746 -3.369 -7.474 1.00 0.00 C ATOM 583 O CYS A 42 3.913 -2.227 -7.902 1.00 0.00 O ATOM 584 CB CYS A 42 5.271 -4.774 -8.872 1.00 0.00 C ATOM 585 SG CYS A 42 5.480 -6.112 -10.091 1.00 0.00 S ATOM 0 H CYS A 42 3.373 -4.631 -10.452 1.00 0.00 H new ATOM 0 HA CYS A 42 3.504 -5.458 -7.858 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.634 -3.842 -9.305 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.896 -4.987 -8.004 1.00 0.00 H new ATOM 0 HG CYS A 42 4.952 -5.754 -11.224 1.00 0.00 H new ATOM 590 N ARG A 43 3.487 -3.633 -6.197 1.00 0.00 N ATOM 591 CA ARG A 43 3.381 -2.571 -5.204 1.00 0.00 C ATOM 592 C ARG A 43 4.332 -1.423 -5.531 1.00 0.00 C ATOM 593 O ARG A 43 3.997 -0.254 -5.345 1.00 0.00 O ATOM 594 CB ARG A 43 3.686 -3.117 -3.808 1.00 0.00 C ATOM 595 CG ARG A 43 3.526 -2.086 -2.702 1.00 0.00 C ATOM 596 CD ARG A 43 2.063 -1.738 -2.473 1.00 0.00 C ATOM 597 NE ARG A 43 1.403 -2.699 -1.593 1.00 0.00 N ATOM 598 CZ ARG A 43 1.550 -2.708 -0.273 1.00 0.00 C ATOM 599 NH1 ARG A 43 2.330 -1.813 0.317 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.916 -3.615 0.460 1.00 0.00 N ATOM 0 H ARG A 43 3.347 -4.573 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 43 2.360 -2.191 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.026 -3.961 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.707 -3.499 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.959 -2.471 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.080 -1.184 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.991 -0.741 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.543 -1.707 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 43 0.796 -3.402 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.819 -1.115 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.441 -1.823 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.316 -4.306 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.029 -3.621 1.474 1.00 0.00 H new ATOM 614 N ALA A 44 5.519 -1.767 -6.020 1.00 0.00 N ATOM 615 CA ALA A 44 6.518 -0.766 -6.375 1.00 0.00 C ATOM 616 C ALA A 44 6.236 -0.174 -7.752 1.00 0.00 C ATOM 617 O ALA A 44 6.097 1.041 -7.900 1.00 0.00 O ATOM 618 CB ALA A 44 7.912 -1.374 -6.335 1.00 0.00 C ATOM 0 H ALA A 44 5.812 -2.731 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 44 6.465 0.040 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.648 -0.615 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.119 -1.743 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.969 -2.200 -7.044 1.00 0.00 H new ATOM 624 N CYS A 45 6.154 -1.039 -8.757 1.00 0.00 N ATOM 625 CA CYS A 45 5.890 -0.602 -10.123 1.00 0.00 C ATOM 626 C CYS A 45 4.808 0.473 -10.151 1.00 0.00 C ATOM 627 O CYS A 45 5.004 1.551 -10.712 1.00 0.00 O ATOM 628 CB CYS A 45 5.467 -1.791 -10.988 1.00 0.00 C ATOM 629 SG CYS A 45 6.839 -2.890 -11.464 1.00 0.00 S ATOM 0 H CYS A 45 6.267 -2.047 -8.651 1.00 0.00 H new ATOM 0 HA CYS A 45 6.809 -0.177 -10.526 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.721 -2.373 -10.447 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.986 -1.416 -11.891 1.00 0.00 H new ATOM 0 HG CYS A 45 6.533 -4.119 -11.169 1.00 0.00 H new ATOM 634 N ILE A 46 3.666 0.171 -9.542 1.00 0.00 N ATOM 635 CA ILE A 46 2.553 1.111 -9.496 1.00 0.00 C ATOM 636 C ILE A 46 2.997 2.461 -8.940 1.00 0.00 C ATOM 637 O ILE A 46 2.491 3.508 -9.345 1.00 0.00 O ATOM 638 CB ILE A 46 1.395 0.571 -8.636 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.262 1.597 -8.566 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.889 0.223 -7.240 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.654 1.568 -9.770 1.00 0.00 C ATOM 0 H ILE A 46 3.487 -0.717 -9.074 1.00 0.00 H new ATOM 0 HA ILE A 46 2.205 1.239 -10.521 1.00 0.00 H new ATOM 0 HB ILE A 46 1.010 -0.337 -9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.327 1.415 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.691 2.594 -8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.059 -0.157 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.665 -0.539 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.297 1.115 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.433 2.321 -9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.078 1.780 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.112 0.582 -9.855 1.00 0.00 H new ATOM 653 N THR A 47 3.947 2.429 -8.011 1.00 0.00 N ATOM 654 CA THR A 47 4.460 3.649 -7.401 1.00 0.00 C ATOM 655 C THR A 47 5.441 4.358 -8.328 1.00 0.00 C ATOM 656 O THR A 47 5.314 5.556 -8.583 1.00 0.00 O ATOM 657 CB THR A 47 5.160 3.355 -6.060 1.00 0.00 C ATOM 658 OG1 THR A 47 4.230 2.771 -5.140 1.00 0.00 O ATOM 659 CG2 THR A 47 5.741 4.627 -5.463 1.00 0.00 C ATOM 0 H THR A 47 4.377 1.571 -7.665 1.00 0.00 H new ATOM 0 HA THR A 47 3.602 4.297 -7.221 1.00 0.00 H new ATOM 0 HB THR A 47 5.975 2.655 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.222 1.798 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.230 4.395 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.469 5.053 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.941 5.347 -5.291 1.00 0.00 H new ATOM 667 N LEU A 48 6.417 3.611 -8.831 1.00 0.00 N ATOM 668 CA LEU A 48 7.420 4.168 -9.732 1.00 0.00 C ATOM 669 C LEU A 48 6.764 4.780 -10.965 1.00 0.00 C ATOM 670 O LEU A 48 7.064 5.912 -11.343 1.00 0.00 O ATOM 671 CB LEU A 48 8.414 3.084 -10.153 1.00 0.00 C ATOM 672 CG LEU A 48 9.267 3.398 -11.383 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.257 4.511 -11.077 1.00 0.00 C ATOM 674 CD2 LEU A 48 9.996 2.149 -11.859 1.00 0.00 C ATOM 0 H LEU A 48 6.535 2.618 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 48 7.954 4.955 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.081 2.885 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.860 2.165 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 48 8.607 3.737 -12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.855 4.720 -11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.715 5.410 -10.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.912 4.201 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.598 2.391 -12.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.644 1.781 -11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.269 1.380 -12.120 1.00 0.00 H new ATOM 686 N ASN A 49 5.866 4.024 -11.587 1.00 0.00 N ATOM 687 CA ASN A 49 5.166 4.493 -12.778 1.00 0.00 C ATOM 688 C ASN A 49 4.605 5.895 -12.562 1.00 0.00 C ATOM 689 O ASN A 49 4.942 6.829 -13.292 1.00 0.00 O ATOM 690 CB ASN A 49 4.033 3.530 -13.141 1.00 0.00 C ATOM 691 CG ASN A 49 3.198 4.031 -14.304 1.00 0.00 C ATOM 692 OD1 ASN A 49 2.070 4.487 -14.120 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.751 3.949 -15.508 1.00 0.00 N ATOM 0 H ASN A 49 5.606 3.085 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 49 5.882 4.529 -13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.454 2.556 -13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.391 3.385 -12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.237 4.272 -16.328 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.690 3.564 -15.613 1.00 0.00 H new ATOM 700 N TYR A 50 3.750 6.037 -11.556 1.00 0.00 N ATOM 701 CA TYR A 50 3.141 7.325 -11.246 1.00 0.00 C ATOM 702 C TYR A 50 4.180 8.441 -11.282 1.00 0.00 C ATOM 703 O TYR A 50 4.039 9.411 -12.026 1.00 0.00 O ATOM 704 CB TYR A 50 2.474 7.278 -9.870 1.00 0.00 C ATOM 705 CG TYR A 50 1.946 8.618 -9.407 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.737 9.112 -9.882 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.657 9.389 -8.496 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.252 10.335 -9.462 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.178 10.613 -8.070 1.00 0.00 C ATOM 710 CZ TYR A 50 0.976 11.082 -8.556 1.00 0.00 C ATOM 711 OH TYR A 50 0.495 12.301 -8.135 1.00 0.00 O ATOM 0 H TYR A 50 3.463 5.276 -10.941 1.00 0.00 H new ATOM 0 HA TYR A 50 2.385 7.533 -12.003 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.652 6.563 -9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.193 6.908 -9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.167 8.530 -10.591 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.600 9.026 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.689 10.705 -9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.742 11.199 -7.360 1.00 0.00 H new ATOM 0 HH TYR A 50 1.124 12.698 -7.497 1.00 0.00 H new ATOM 721 N GLU A 51 5.225 8.295 -10.473 1.00 0.00 N ATOM 722 CA GLU A 51 6.288 9.291 -10.412 1.00 0.00 C ATOM 723 C GLU A 51 6.745 9.685 -11.813 1.00 0.00 C ATOM 724 O GLU A 51 6.924 10.866 -12.110 1.00 0.00 O ATOM 725 CB GLU A 51 7.475 8.754 -9.609 1.00 0.00 C ATOM 726 CG GLU A 51 7.127 8.399 -8.173 1.00 0.00 C ATOM 727 CD GLU A 51 8.253 7.672 -7.463 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.409 8.135 -7.556 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.978 6.641 -6.815 1.00 0.00 O ATOM 0 H GLU A 51 5.358 7.497 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 51 5.893 10.177 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.870 7.869 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.270 9.500 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.886 9.310 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.233 7.775 -8.163 1.00 0.00 H new ATOM 861 N ASN A 61 -1.794 8.255 -14.532 1.00 0.00 N ATOM 862 CA ASN A 61 -2.042 7.590 -15.805 1.00 0.00 C ATOM 863 C ASN A 61 -1.611 6.128 -15.749 1.00 0.00 C ATOM 864 O ASN A 61 -0.577 5.796 -15.168 1.00 0.00 O ATOM 865 CB ASN A 61 -1.299 8.309 -16.933 1.00 0.00 C ATOM 866 CG ASN A 61 -1.384 9.818 -16.812 1.00 0.00 C ATOM 867 OD1 ASN A 61 -0.579 10.443 -16.121 1.00 0.00 O ATOM 868 ND2 ASN A 61 -2.364 10.411 -17.484 1.00 0.00 N ATOM 0 HA ASN A 61 -3.113 7.627 -16.002 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.252 8.005 -16.926 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.714 8.000 -17.892 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.472 11.424 -17.440 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.008 9.853 -18.044 1.00 0.00 H new ATOM 875 N CYS A 62 -2.409 5.257 -16.356 1.00 0.00 N ATOM 876 CA CYS A 62 -2.112 3.830 -16.376 1.00 0.00 C ATOM 877 C CYS A 62 -1.203 3.480 -17.551 1.00 0.00 C ATOM 878 O CYS A 62 -1.472 3.827 -18.701 1.00 0.00 O ATOM 879 CB CYS A 62 -3.406 3.019 -16.460 1.00 0.00 C ATOM 880 SG CYS A 62 -3.175 1.225 -16.242 1.00 0.00 S ATOM 0 H CYS A 62 -3.268 5.515 -16.842 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.594 3.580 -15.450 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.099 3.380 -15.700 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.873 3.199 -17.428 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.492 1.004 -15.158 1.00 0.00 H new ATOM 885 N PRO A 63 -0.100 2.776 -17.257 1.00 0.00 N ATOM 886 CA PRO A 63 0.871 2.363 -18.274 1.00 0.00 C ATOM 887 C PRO A 63 0.315 1.289 -19.204 1.00 0.00 C ATOM 888 O PRO A 63 1.048 0.702 -19.999 1.00 0.00 O ATOM 889 CB PRO A 63 2.034 1.806 -17.450 1.00 0.00 C ATOM 890 CG PRO A 63 1.415 1.371 -16.166 1.00 0.00 C ATOM 891 CD PRO A 63 0.284 2.328 -15.907 1.00 0.00 C ATOM 0 HA PRO A 63 1.151 3.189 -18.928 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.516 0.972 -17.960 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.800 2.564 -17.284 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.051 0.346 -16.236 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.142 1.397 -15.354 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.545 1.841 -15.394 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.599 3.163 -15.281 1.00 0.00 H new ATOM 899 N VAL A 64 -0.986 1.038 -19.099 1.00 0.00 N ATOM 900 CA VAL A 64 -1.641 0.036 -19.931 1.00 0.00 C ATOM 901 C VAL A 64 -2.763 0.655 -20.757 1.00 0.00 C ATOM 902 O VAL A 64 -2.720 0.646 -21.987 1.00 0.00 O ATOM 903 CB VAL A 64 -2.218 -1.111 -19.080 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.946 -2.116 -19.960 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.114 -1.790 -18.283 1.00 0.00 C ATOM 0 H VAL A 64 -1.607 1.515 -18.446 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.880 -0.365 -20.600 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.938 -0.692 -18.377 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.347 -2.919 -19.341 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.763 -1.618 -20.482 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.251 -2.532 -20.689 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.539 -2.598 -17.687 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.369 -2.197 -18.967 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.642 -1.063 -17.623 1.00 0.00 H new ATOM 915 N CYS A 65 -3.767 1.193 -20.072 1.00 0.00 N ATOM 916 CA CYS A 65 -4.901 1.817 -20.741 1.00 0.00 C ATOM 917 C CYS A 65 -4.799 3.339 -20.679 1.00 0.00 C ATOM 918 O CYS A 65 -5.571 4.049 -21.323 1.00 0.00 O ATOM 919 CB CYS A 65 -6.213 1.357 -20.102 1.00 0.00 C ATOM 920 SG CYS A 65 -6.333 1.703 -18.318 1.00 0.00 S ATOM 0 H CYS A 65 -3.818 1.209 -19.053 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.887 1.511 -21.787 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.044 1.844 -20.612 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.326 0.285 -20.262 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.191 1.452 -17.749 1.00 0.00 H new ATOM 925 N ARG A 66 -3.842 3.831 -19.899 1.00 0.00 N ATOM 926 CA ARG A 66 -3.639 5.267 -19.752 1.00 0.00 C ATOM 927 C ARG A 66 -4.911 5.947 -19.255 1.00 0.00 C ATOM 928 O ARG A 66 -5.279 7.022 -19.728 1.00 0.00 O ATOM 929 CB ARG A 66 -3.207 5.881 -21.085 1.00 0.00 C ATOM 930 CG ARG A 66 -1.802 5.487 -21.510 1.00 0.00 C ATOM 931 CD ARG A 66 -1.798 4.164 -22.260 1.00 0.00 C ATOM 932 NE ARG A 66 -0.657 4.052 -23.165 1.00 0.00 N ATOM 933 CZ ARG A 66 0.546 3.639 -22.783 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.765 3.302 -21.520 1.00 0.00 N ATOM 935 NH2 ARG A 66 1.534 3.564 -23.666 1.00 0.00 N ATOM 0 H ARG A 66 -3.195 3.256 -19.359 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.852 5.424 -19.015 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.911 5.577 -21.860 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.264 6.967 -21.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.380 6.267 -22.144 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.163 5.410 -20.631 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.776 3.342 -21.545 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.723 4.067 -22.829 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.792 4.305 -24.144 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.008 3.359 -20.838 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.690 2.985 -21.230 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.370 3.824 -24.639 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.458 3.247 -23.372 1.00 0.00 H new ATOM 949 N VAL A 67 -5.579 5.313 -18.296 1.00 0.00 N ATOM 950 CA VAL A 67 -6.810 5.857 -17.734 1.00 0.00 C ATOM 951 C VAL A 67 -6.537 6.600 -16.431 1.00 0.00 C ATOM 952 O VAL A 67 -5.834 6.113 -15.545 1.00 0.00 O ATOM 953 CB VAL A 67 -7.845 4.747 -17.472 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.584 4.078 -16.131 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.257 5.312 -17.529 1.00 0.00 C ATOM 0 H VAL A 67 -5.288 4.423 -17.892 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.213 6.554 -18.469 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.748 3.992 -18.252 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.325 3.297 -15.964 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.587 3.638 -16.132 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.652 4.820 -15.335 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.976 4.514 -17.342 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.370 6.087 -16.771 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.438 5.740 -18.515 1.00 0.00 H new ATOM 965 N PRO A 68 -7.105 7.809 -16.309 1.00 0.00 N ATOM 966 CA PRO A 68 -6.939 8.646 -15.117 1.00 0.00 C ATOM 967 C PRO A 68 -7.662 8.074 -13.902 1.00 0.00 C ATOM 968 O PRO A 68 -8.890 8.121 -13.820 1.00 0.00 O ATOM 969 CB PRO A 68 -7.562 9.981 -15.531 1.00 0.00 C ATOM 970 CG PRO A 68 -8.543 9.628 -16.596 1.00 0.00 C ATOM 971 CD PRO A 68 -7.956 8.451 -17.326 1.00 0.00 C ATOM 0 HA PRO A 68 -5.894 8.723 -14.815 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.052 10.468 -14.688 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.806 10.672 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.512 9.376 -16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.703 10.467 -17.273 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.731 7.775 -17.687 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.377 8.765 -18.195 1.00 0.00 H new ATOM 979 N TYR A 69 -6.894 7.536 -12.962 1.00 0.00 N ATOM 980 CA TYR A 69 -7.462 6.954 -11.751 1.00 0.00 C ATOM 981 C TYR A 69 -6.978 7.698 -10.510 1.00 0.00 C ATOM 982 O TYR A 69 -5.862 8.216 -10.461 1.00 0.00 O ATOM 983 CB TYR A 69 -7.091 5.474 -11.650 1.00 0.00 C ATOM 984 CG TYR A 69 -5.600 5.222 -11.651 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.860 5.312 -10.479 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.932 4.894 -12.825 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.497 5.083 -10.476 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.571 4.662 -12.830 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.857 4.758 -11.654 1.00 0.00 C ATOM 990 OH TYR A 69 -1.501 4.529 -11.656 1.00 0.00 O ATOM 0 H TYR A 69 -5.876 7.490 -13.015 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.547 7.047 -11.807 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.520 5.062 -10.737 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.542 4.937 -12.484 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.358 5.565 -9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.487 4.819 -13.749 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.936 5.158 -9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.068 4.406 -13.751 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.207 4.311 -12.565 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.837 7.752 -9.482 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.520 8.428 -8.220 1.00 0.00 C ATOM 1002 C PRO A 70 -6.455 7.689 -7.418 1.00 0.00 C ATOM 1003 O PRO A 70 -6.735 6.674 -6.781 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.854 8.422 -7.470 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.598 7.259 -8.029 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.184 7.157 -9.471 1.00 0.00 C ATOM 0 HA PRO A 70 -7.111 9.425 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.704 8.316 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.400 9.353 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.356 6.344 -7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.675 7.406 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.169 6.122 -9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.868 7.698 -10.125 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.230 8.205 -7.453 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.122 7.594 -6.730 1.00 0.00 C ATOM 1016 C PHE A 71 -4.480 7.385 -5.261 1.00 0.00 C ATOM 1017 O PHE A 71 -4.975 8.294 -4.596 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.869 8.465 -6.842 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.680 7.902 -6.117 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.120 6.697 -6.510 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.123 8.577 -5.043 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.026 6.175 -5.845 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.028 8.061 -4.376 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.520 6.858 -4.776 1.00 0.00 C ATOM 0 H PHE A 71 -4.981 9.045 -7.975 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.921 6.621 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.616 8.590 -7.895 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.089 9.457 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.543 6.159 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.549 9.517 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.401 5.235 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.399 8.598 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.374 6.452 -4.254 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.226 6.179 -4.762 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.529 5.871 -3.377 1.00 0.00 C ATOM 1036 C GLY A 72 -5.672 4.886 -3.238 1.00 0.00 C ATOM 1037 O GLY A 72 -5.674 4.049 -2.336 1.00 0.00 O ATOM 0 H GLY A 72 -3.816 5.410 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.640 5.462 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.781 6.791 -2.850 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.649 4.985 -4.133 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.806 4.097 -4.105 1.00 0.00 C ATOM 1043 C ASN A 73 -7.470 2.747 -4.730 1.00 0.00 C ATOM 1044 O ASN A 73 -8.249 2.201 -5.513 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.983 4.735 -4.845 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.620 5.863 -4.056 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -8.926 6.714 -3.499 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.947 5.873 -4.004 1.00 0.00 N ATOM 0 H ASN A 73 -6.663 5.672 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.084 3.937 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.640 5.117 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.733 3.973 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.432 6.607 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.482 5.147 -4.481 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.306 2.212 -4.379 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.866 0.924 -4.904 1.00 0.00 C ATOM 1057 C LEU A 74 -6.046 -0.178 -3.866 1.00 0.00 C ATOM 1058 O LEU A 74 -5.662 -0.023 -2.706 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.399 1.000 -5.334 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.040 2.133 -6.297 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.610 2.596 -6.066 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.233 1.687 -7.739 1.00 0.00 C ATOM 0 H LEU A 74 -5.650 2.650 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.481 0.685 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.784 1.101 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.129 0.053 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.707 2.974 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.372 3.402 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.505 2.955 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.927 1.763 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.973 2.505 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.590 0.831 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.274 1.405 -7.896 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.632 -1.293 -4.290 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.861 -2.424 -3.398 1.00 0.00 C ATOM 1076 C LYS A 75 -5.801 -3.502 -3.604 1.00 0.00 C ATOM 1077 O LYS A 75 -5.220 -3.638 -4.681 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.254 -3.012 -3.635 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.494 -3.449 -5.070 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.697 -4.372 -5.177 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.991 -3.586 -5.318 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.144 -3.010 -6.683 1.00 0.00 N ATOM 0 H LYS A 75 -6.957 -1.438 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.794 -2.065 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.395 -3.868 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.004 -2.270 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.650 -2.572 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.608 -3.958 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.575 -5.032 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.750 -5.007 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.837 -4.238 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.011 -2.783 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.116 -2.660 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.474 -2.224 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.949 -3.744 -7.393 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.543 -4.288 -2.548 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.553 -5.368 -2.588 1.00 0.00 C ATOM 1098 C PRO A 76 -5.000 -6.531 -3.468 1.00 0.00 C ATOM 1099 O PRO A 76 -5.973 -7.218 -3.158 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.452 -5.812 -1.127 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.761 -5.435 -0.525 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.197 -4.182 -1.233 1.00 0.00 C ATOM 0 HA PRO A 76 -3.606 -5.037 -3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.276 -6.885 -1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.625 -5.316 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.494 -6.231 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.663 -5.263 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.282 -4.130 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.880 -3.287 -0.698 1.00 0.00 H new