USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 24 SER OG : rot -30:sc= -0.524 USER MOD Set 1.2: A 54 THR OG1 : rot 61:sc= -1.12 USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 1.21 (180deg=0.479) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.227 (180deg=-1.33) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -43:sc= 0.616 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.07! K(o=-3.1!,f=0.6) USER MOD Single : A 19 GLN : amide:sc= -0.0015 X(o=-0.0015,f=-0.0015) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.16) USER MOD Single : A 27 ASN : amide:sc= -0.509! X(o=-0.51!,f=-0.79) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -4:sc= -0.114 USER MOD Single : A 46 ASN : amide:sc= -15.4! C(o=-15!,f=-7.5!) USER MOD Single : A 49 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.055) USER MOD Single : A 51 THR OG1 : rot -70:sc= -0.365 USER MOD Single : A 57 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 129:sc= 1.27 USER MOD Single : A 66 HIS : no HD1:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -150:sc= -0.802 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.01) USER MOD Single : A 78 MET CE :methyl -136:sc= -17! (180deg=-23.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -1.88! (180deg=-6.78!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 173:sc= -9.67! (180deg=-9.87!) USER MOD Single : A 92 SER OG : rot 92:sc= -6.78! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -4.51! C(o=-4.5!,f=-14!) USER MOD Single : A 105 SER OG : rot -10:sc= 0.842 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.430 -2.519 -3.571 1.00 0.00 N ATOM 78 CA LEU A 5 12.125 -3.161 -4.670 1.00 0.00 C ATOM 79 C LEU A 5 13.436 -2.438 -4.946 1.00 0.00 C ATOM 80 O LEU A 5 13.512 -1.217 -4.827 1.00 0.00 O ATOM 81 CB LEU A 5 11.233 -3.154 -5.908 1.00 0.00 C ATOM 82 CG LEU A 5 10.593 -4.528 -6.081 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.493 -4.713 -5.040 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.994 -4.638 -7.480 1.00 0.00 C ATOM 0 HA LEU A 5 12.352 -4.194 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.461 -2.391 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.820 -2.901 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 5 11.351 -5.300 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.036 -5.695 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.921 -4.636 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.735 -3.941 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.537 -5.620 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.237 -3.865 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.780 -4.508 -8.224 1.00 0.00 H new ATOM 96 N CYS A 6 14.470 -3.197 -5.316 1.00 0.00 N ATOM 97 CA CYS A 6 15.771 -2.628 -5.607 1.00 0.00 C ATOM 98 C CYS A 6 16.466 -3.456 -6.679 1.00 0.00 C ATOM 99 O CYS A 6 16.228 -4.657 -6.790 1.00 0.00 O ATOM 100 CB CYS A 6 16.604 -2.586 -4.330 1.00 0.00 C ATOM 101 SG CYS A 6 15.627 -2.376 -2.820 1.00 0.00 S ATOM 0 H CYS A 6 14.422 -4.211 -5.419 1.00 0.00 H new ATOM 0 HA CYS A 6 15.653 -1.611 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.179 -3.509 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.321 -1.769 -4.403 1.00 0.00 H new ATOM 106 N LYS A 7 17.328 -2.810 -7.468 1.00 0.00 N ATOM 107 CA LYS A 7 18.051 -3.490 -8.523 1.00 0.00 C ATOM 108 C LYS A 7 19.146 -4.361 -7.925 1.00 0.00 C ATOM 109 O LYS A 7 20.011 -3.870 -7.202 1.00 0.00 O ATOM 110 CB LYS A 7 18.644 -2.457 -9.478 1.00 0.00 C ATOM 111 CG LYS A 7 17.533 -1.860 -10.336 1.00 0.00 C ATOM 112 CD LYS A 7 17.397 -2.664 -11.626 1.00 0.00 C ATOM 113 CE LYS A 7 16.864 -1.762 -12.735 1.00 0.00 C ATOM 114 NZ LYS A 7 17.964 -1.091 -13.444 1.00 0.00 N ATOM 0 H LYS A 7 17.536 -1.815 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 7 17.368 -4.133 -9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.145 -1.670 -8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.397 -2.923 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.591 -1.870 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.757 -0.818 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.364 -3.078 -11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.723 -3.506 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.280 -2.353 -13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.192 -1.016 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.653 -0.149 -13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.780 -0.993 -12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.239 -1.656 -14.273 1.00 0.00 H new ATOM 128 N PHE A 8 19.107 -5.661 -8.226 1.00 0.00 N ATOM 129 CA PHE A 8 20.092 -6.592 -7.718 1.00 0.00 C ATOM 130 C PHE A 8 20.973 -7.086 -8.857 1.00 0.00 C ATOM 131 O PHE A 8 20.754 -8.172 -9.389 1.00 0.00 O ATOM 132 CB PHE A 8 19.384 -7.760 -7.036 1.00 0.00 C ATOM 133 CG PHE A 8 20.124 -8.297 -5.835 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.156 -9.228 -6.007 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.780 -7.862 -4.549 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.844 -9.723 -4.893 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.468 -8.358 -3.436 1.00 0.00 C ATOM 138 CZ PHE A 8 21.500 -9.289 -3.607 1.00 0.00 C ATOM 0 H PHE A 8 18.397 -6.085 -8.823 1.00 0.00 H new ATOM 0 HA PHE A 8 20.726 -6.091 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.389 -7.440 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.249 -8.565 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.421 -9.564 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 8 18.984 -7.144 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.641 -10.440 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.203 -8.023 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.030 -9.672 -2.748 1.00 0.00 H new ATOM 148 N CYS A 9 21.973 -6.284 -9.229 1.00 0.00 N ATOM 149 CA CYS A 9 22.882 -6.640 -10.301 1.00 0.00 C ATOM 150 C CYS A 9 24.314 -6.639 -9.783 1.00 0.00 C ATOM 151 O CYS A 9 24.667 -5.828 -8.930 1.00 0.00 O ATOM 152 CB CYS A 9 22.722 -5.651 -11.452 1.00 0.00 C ATOM 153 SG CYS A 9 21.416 -6.094 -12.625 1.00 0.00 S ATOM 0 H CYS A 9 22.168 -5.381 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 9 22.649 -7.641 -10.665 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.509 -4.664 -11.042 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.668 -5.577 -11.988 1.00 0.00 H new ATOM 158 N ASP A 10 25.138 -7.552 -10.302 1.00 0.00 N ATOM 159 CA ASP A 10 26.523 -7.652 -9.891 1.00 0.00 C ATOM 160 C ASP A 10 27.305 -6.455 -10.415 1.00 0.00 C ATOM 161 O ASP A 10 26.816 -5.721 -11.270 1.00 0.00 O ATOM 162 CB ASP A 10 27.115 -8.957 -10.415 1.00 0.00 C ATOM 163 CG ASP A 10 26.065 -10.058 -10.444 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.808 -10.625 -9.360 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.540 -10.313 -11.549 1.00 0.00 O ATOM 0 H ASP A 10 24.860 -8.231 -11.010 1.00 0.00 H new ATOM 0 HA ASP A 10 26.584 -7.652 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.514 -8.803 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.949 -9.262 -9.783 1.00 0.00 H new ATOM 170 N VAL A 11 28.521 -6.262 -9.901 1.00 0.00 N ATOM 171 CA VAL A 11 29.361 -5.158 -10.318 1.00 0.00 C ATOM 172 C VAL A 11 30.005 -5.480 -11.659 1.00 0.00 C ATOM 173 O VAL A 11 30.803 -6.409 -11.760 1.00 0.00 O ATOM 174 CB VAL A 11 30.425 -4.899 -9.256 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.517 -6.103 -8.323 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.775 -4.676 -9.931 1.00 0.00 C ATOM 0 H VAL A 11 28.940 -6.864 -9.192 1.00 0.00 H new ATOM 0 HA VAL A 11 28.756 -4.259 -10.433 1.00 0.00 H new ATOM 0 HB VAL A 11 30.155 -4.013 -8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.277 -5.918 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.553 -6.263 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.786 -6.989 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.535 -4.491 -9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.045 -5.562 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.711 -3.816 -10.598 1.00 0.00 H new ATOM 186 N LYS A 12 29.656 -4.708 -12.692 1.00 0.00 N ATOM 187 CA LYS A 12 30.201 -4.915 -14.018 1.00 0.00 C ATOM 188 C LYS A 12 30.589 -3.578 -14.634 1.00 0.00 C ATOM 189 O LYS A 12 30.131 -2.530 -14.185 1.00 0.00 O ATOM 190 CB LYS A 12 29.170 -5.632 -14.884 1.00 0.00 C ATOM 191 CG LYS A 12 28.289 -6.511 -14.004 1.00 0.00 C ATOM 192 CD LYS A 12 27.450 -7.434 -14.883 1.00 0.00 C ATOM 193 CE LYS A 12 26.083 -6.800 -15.127 1.00 0.00 C ATOM 194 NZ LYS A 12 26.186 -5.667 -16.060 1.00 0.00 N ATOM 0 H LYS A 12 28.995 -3.934 -12.625 1.00 0.00 H new ATOM 0 HA LYS A 12 31.096 -5.534 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.558 -4.904 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.672 -6.240 -15.637 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.907 -7.100 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.640 -5.891 -13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.956 -7.609 -15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.332 -8.405 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.399 -7.547 -15.530 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.662 -6.460 -14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.288 -5.556 -16.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.391 -4.797 -15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.952 -5.846 -16.740 1.00 0.00 H new ATOM 208 N ALA A 13 31.435 -3.619 -15.665 1.00 0.00 N ATOM 209 CA ALA A 13 31.881 -2.414 -16.337 1.00 0.00 C ATOM 210 C ALA A 13 30.679 -1.561 -16.714 1.00 0.00 C ATOM 211 O ALA A 13 29.888 -1.942 -17.574 1.00 0.00 O ATOM 212 CB ALA A 13 32.686 -2.792 -17.576 1.00 0.00 C ATOM 0 H ALA A 13 31.822 -4.481 -16.048 1.00 0.00 H new ATOM 0 HA ALA A 13 32.518 -1.834 -15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.022 -1.887 -18.082 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.552 -3.385 -17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 13 32.061 -3.375 -18.252 1.00 0.00 H new ATOM 218 N THR A 14 30.543 -0.400 -16.068 1.00 0.00 N ATOM 219 CA THR A 14 29.439 0.498 -16.341 1.00 0.00 C ATOM 220 C THR A 14 29.946 1.739 -17.062 1.00 0.00 C ATOM 221 O THR A 14 31.113 2.103 -16.934 1.00 0.00 O ATOM 222 CB THR A 14 28.756 0.876 -15.030 1.00 0.00 C ATOM 223 OG1 THR A 14 27.570 1.589 -15.306 1.00 0.00 O ATOM 224 CG2 THR A 14 29.693 1.750 -14.201 1.00 0.00 C ATOM 0 H THR A 14 31.190 -0.067 -15.353 1.00 0.00 H new ATOM 0 HA THR A 14 28.713 0.001 -16.985 1.00 0.00 H new ATOM 0 HB THR A 14 28.515 -0.029 -14.472 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.130 1.830 -14.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.205 2.020 -13.264 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.610 1.200 -13.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.935 2.655 -14.758 1.00 0.00 H new ATOM 232 N THR A 15 29.063 2.390 -17.821 1.00 0.00 N ATOM 233 CA THR A 15 29.426 3.586 -18.556 1.00 0.00 C ATOM 234 C THR A 15 28.854 4.814 -17.863 1.00 0.00 C ATOM 235 O THR A 15 28.745 5.878 -18.468 1.00 0.00 O ATOM 236 CB THR A 15 28.904 3.480 -19.987 1.00 0.00 C ATOM 237 OG1 THR A 15 29.435 4.534 -20.759 1.00 0.00 O ATOM 238 CG2 THR A 15 27.381 3.569 -19.981 1.00 0.00 C ATOM 0 H THR A 15 28.091 2.102 -17.938 1.00 0.00 H new ATOM 0 HA THR A 15 30.511 3.684 -18.584 1.00 0.00 H new ATOM 0 HB THR A 15 29.209 2.526 -20.416 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.401 5.367 -20.243 1.00 0.00 H new ATOM 0 HG21 THR A 15 27.008 3.493 -21.002 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.971 2.754 -19.384 1.00 0.00 H new ATOM 0 HG23 THR A 15 27.074 4.523 -19.552 1.00 0.00 H new ATOM 246 N CYS A 16 28.487 4.663 -16.588 1.00 0.00 N ATOM 247 CA CYS A 16 27.929 5.756 -15.818 1.00 0.00 C ATOM 248 C CYS A 16 29.051 6.627 -15.274 1.00 0.00 C ATOM 249 O CYS A 16 30.022 6.118 -14.719 1.00 0.00 O ATOM 250 CB CYS A 16 27.080 5.193 -14.680 1.00 0.00 C ATOM 251 SG CYS A 16 25.407 5.880 -14.603 1.00 0.00 S ATOM 0 H CYS A 16 28.570 3.786 -16.073 1.00 0.00 H new ATOM 0 HA CYS A 16 27.295 6.371 -16.457 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.013 4.111 -14.791 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.585 5.386 -13.733 1.00 0.00 H new ATOM 256 N SER A 17 28.916 7.946 -15.433 1.00 0.00 N ATOM 257 CA SER A 17 29.917 8.878 -14.956 1.00 0.00 C ATOM 258 C SER A 17 29.392 9.621 -13.735 1.00 0.00 C ATOM 259 O SER A 17 28.203 9.561 -13.433 1.00 0.00 O ATOM 260 CB SER A 17 30.272 9.857 -16.073 1.00 0.00 C ATOM 261 OG SER A 17 31.201 9.255 -16.946 1.00 0.00 O ATOM 0 H SER A 17 28.117 8.385 -15.891 1.00 0.00 H new ATOM 0 HA SER A 17 30.816 8.334 -14.666 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.374 10.142 -16.621 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.692 10.770 -15.651 1.00 0.00 H new ATOM 0 HG SER A 17 31.428 9.882 -17.664 1.00 0.00 H new ATOM 267 N ASN A 18 30.285 10.325 -13.035 1.00 0.00 N ATOM 268 CA ASN A 18 29.907 11.075 -11.854 1.00 0.00 C ATOM 269 C ASN A 18 28.987 12.224 -12.242 1.00 0.00 C ATOM 270 O ASN A 18 29.348 13.390 -12.096 1.00 0.00 O ATOM 271 CB ASN A 18 31.163 11.598 -11.163 1.00 0.00 C ATOM 272 CG ASN A 18 32.117 12.223 -12.171 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.218 13.445 -12.260 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.821 11.380 -12.931 1.00 0.00 N ATOM 0 H ASN A 18 31.275 10.386 -13.273 1.00 0.00 H new ATOM 0 HA ASN A 18 29.370 10.425 -11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.888 12.337 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.663 10.782 -10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.477 11.743 -13.622 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.702 10.373 -12.820 1.00 0.00 H new ATOM 281 N GLN A 19 27.793 11.890 -12.737 1.00 0.00 N ATOM 282 CA GLN A 19 26.827 12.891 -13.143 1.00 0.00 C ATOM 283 C GLN A 19 25.771 13.060 -12.060 1.00 0.00 C ATOM 284 O GLN A 19 25.501 12.130 -11.302 1.00 0.00 O ATOM 285 CB GLN A 19 26.186 12.472 -14.463 1.00 0.00 C ATOM 286 CG GLN A 19 27.141 11.557 -15.225 1.00 0.00 C ATOM 287 CD GLN A 19 27.027 11.782 -16.726 1.00 0.00 C ATOM 288 OE1 GLN A 19 26.093 11.295 -17.359 1.00 0.00 O ATOM 289 NE2 GLN A 19 27.981 12.523 -17.294 1.00 0.00 N ATOM 0 H GLN A 19 27.479 10.928 -12.863 1.00 0.00 H new ATOM 0 HA GLN A 19 27.328 13.848 -13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.244 11.957 -14.275 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.953 13.352 -15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.165 11.744 -14.902 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.918 10.516 -14.991 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.736 12.905 -16.725 1.00 0.00 H new ATOM 0 HE22 GLN A 19 27.955 12.707 -18.297 1.00 0.00 H new ATOM 298 N ASP A 20 25.170 14.250 -11.989 1.00 0.00 N ATOM 299 CA ASP A 20 24.150 14.535 -11.002 1.00 0.00 C ATOM 300 C ASP A 20 23.188 13.358 -10.903 1.00 0.00 C ATOM 301 O ASP A 20 22.630 13.099 -9.839 1.00 0.00 O ATOM 302 CB ASP A 20 23.407 15.809 -11.392 1.00 0.00 C ATOM 303 CG ASP A 20 24.150 17.043 -10.899 1.00 0.00 C ATOM 304 OD1 ASP A 20 24.032 17.331 -9.689 1.00 0.00 O ATOM 305 OD2 ASP A 20 24.820 17.676 -11.743 1.00 0.00 O ATOM 0 H ASP A 20 25.380 15.030 -12.612 1.00 0.00 H new ATOM 0 HA ASP A 20 24.613 14.685 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.298 15.854 -12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.402 15.792 -10.971 1.00 0.00 H new ATOM 310 N GLN A 21 22.996 12.646 -12.015 1.00 0.00 N ATOM 311 CA GLN A 21 22.104 11.505 -12.048 1.00 0.00 C ATOM 312 C GLN A 21 22.704 10.404 -12.911 1.00 0.00 C ATOM 313 O GLN A 21 23.090 10.647 -14.052 1.00 0.00 O ATOM 314 CB GLN A 21 20.745 11.939 -12.591 1.00 0.00 C ATOM 315 CG GLN A 21 19.647 11.098 -11.947 1.00 0.00 C ATOM 316 CD GLN A 21 18.270 11.577 -12.385 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.967 11.597 -13.576 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.435 11.963 -11.417 1.00 0.00 N ATOM 0 H GLN A 21 23.453 12.848 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 21 21.970 11.114 -11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.578 12.996 -12.381 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.720 11.821 -13.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.777 10.051 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.728 11.155 -10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.733 11.928 -10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.499 12.293 -11.652 1.00 0.00 H new ATOM 327 N CYS A 22 22.782 9.190 -12.361 1.00 0.00 N ATOM 328 CA CYS A 22 23.333 8.058 -13.081 1.00 0.00 C ATOM 329 C CYS A 22 22.474 6.826 -12.837 1.00 0.00 C ATOM 330 O CYS A 22 21.711 6.777 -11.875 1.00 0.00 O ATOM 331 CB CYS A 22 24.769 7.816 -12.623 1.00 0.00 C ATOM 332 SG CYS A 22 25.984 7.853 -13.965 1.00 0.00 S ATOM 0 H CYS A 22 22.467 8.973 -11.415 1.00 0.00 H new ATOM 0 HA CYS A 22 23.337 8.268 -14.151 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.036 8.571 -11.884 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.823 6.848 -12.124 1.00 0.00 H new ATOM 337 N THR A 23 22.599 5.826 -13.713 1.00 0.00 N ATOM 338 CA THR A 23 21.834 4.602 -13.586 1.00 0.00 C ATOM 339 C THR A 23 22.766 3.438 -13.282 1.00 0.00 C ATOM 340 O THR A 23 23.954 3.490 -13.592 1.00 0.00 O ATOM 341 CB THR A 23 21.059 4.351 -14.876 1.00 0.00 C ATOM 342 OG1 THR A 23 20.244 5.466 -15.159 1.00 0.00 O ATOM 343 CG2 THR A 23 20.186 3.110 -14.712 1.00 0.00 C ATOM 0 H THR A 23 23.227 5.849 -14.517 1.00 0.00 H new ATOM 0 HA THR A 23 21.125 4.697 -12.764 1.00 0.00 H new ATOM 0 HB THR A 23 21.759 4.196 -15.697 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.747 5.306 -15.988 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.632 2.930 -15.633 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.816 2.248 -14.494 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.485 3.264 -13.892 1.00 0.00 H new ATOM 351 N SER A 24 22.221 2.383 -12.670 1.00 0.00 N ATOM 352 CA SER A 24 23.003 1.212 -12.328 1.00 0.00 C ATOM 353 C SER A 24 23.138 0.308 -13.544 1.00 0.00 C ATOM 354 O SER A 24 24.064 -0.496 -13.625 1.00 0.00 O ATOM 355 CB SER A 24 22.330 0.472 -11.176 1.00 0.00 C ATOM 356 OG SER A 24 21.155 -0.153 -11.642 1.00 0.00 O ATOM 0 H SER A 24 21.238 2.325 -12.404 1.00 0.00 H new ATOM 0 HA SER A 24 24.002 1.516 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.010 -0.272 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.090 1.169 -10.373 1.00 0.00 H new ATOM 0 HG SER A 24 20.778 0.369 -12.381 1.00 0.00 H new ATOM 362 N ASN A 25 22.210 0.442 -14.495 1.00 0.00 N ATOM 363 CA ASN A 25 22.231 -0.360 -15.701 1.00 0.00 C ATOM 364 C ASN A 25 21.828 -1.792 -15.379 1.00 0.00 C ATOM 365 O ASN A 25 21.895 -2.668 -16.239 1.00 0.00 O ATOM 366 CB ASN A 25 23.629 -0.318 -16.314 1.00 0.00 C ATOM 367 CG ASN A 25 23.594 -0.739 -17.775 1.00 0.00 C ATOM 368 OD1 ASN A 25 22.930 -0.103 -18.591 1.00 0.00 O ATOM 369 ND2 ASN A 25 24.314 -1.814 -18.107 1.00 0.00 N ATOM 0 H ASN A 25 21.435 1.104 -14.444 1.00 0.00 H new ATOM 0 HA ASN A 25 21.518 0.043 -16.421 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.036 0.690 -16.231 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.295 -0.978 -15.757 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.328 -2.140 -19.074 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.849 -2.309 -17.394 1.00 0.00 H new ATOM 376 N CYS A 26 21.406 -2.027 -14.134 1.00 0.00 N ATOM 377 CA CYS A 26 20.992 -3.347 -13.703 1.00 0.00 C ATOM 378 C CYS A 26 19.718 -3.752 -14.431 1.00 0.00 C ATOM 379 O CYS A 26 19.033 -2.907 -15.004 1.00 0.00 O ATOM 380 CB CYS A 26 20.773 -3.343 -12.192 1.00 0.00 C ATOM 381 SG CYS A 26 20.041 -4.869 -11.551 1.00 0.00 S ATOM 0 H CYS A 26 21.345 -1.311 -13.410 1.00 0.00 H new ATOM 0 HA CYS A 26 21.770 -4.072 -13.943 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.729 -3.175 -11.697 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.127 -2.505 -11.931 1.00 0.00 H new ATOM 386 N ASN A 27 19.402 -5.048 -14.410 1.00 0.00 N ATOM 387 CA ASN A 27 18.214 -5.555 -15.066 1.00 0.00 C ATOM 388 C ASN A 27 17.542 -6.602 -14.188 1.00 0.00 C ATOM 389 O ASN A 27 16.895 -7.517 -14.693 1.00 0.00 O ATOM 390 CB ASN A 27 18.597 -6.149 -16.419 1.00 0.00 C ATOM 391 CG ASN A 27 19.615 -7.269 -16.252 1.00 0.00 C ATOM 392 OD1 ASN A 27 20.762 -7.134 -16.667 1.00 0.00 O ATOM 393 ND2 ASN A 27 19.190 -8.377 -15.641 1.00 0.00 N ATOM 0 H ASN A 27 19.960 -5.762 -13.941 1.00 0.00 H new ATOM 0 HA ASN A 27 17.508 -4.740 -15.226 1.00 0.00 H new ATOM 0 HB2 ASN A 27 17.707 -6.533 -16.917 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.010 -5.369 -17.059 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.829 -9.160 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.226 -8.441 -15.314 1.00 0.00 H new ATOM 400 N ILE A 28 17.699 -6.464 -12.870 1.00 0.00 N ATOM 401 CA ILE A 28 17.109 -7.393 -11.926 1.00 0.00 C ATOM 402 C ILE A 28 16.304 -6.627 -10.886 1.00 0.00 C ATOM 403 O ILE A 28 16.650 -5.501 -10.535 1.00 0.00 O ATOM 404 CB ILE A 28 18.211 -8.213 -11.264 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.956 -9.019 -12.325 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.593 -9.165 -10.243 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.985 -9.920 -11.650 1.00 0.00 C ATOM 0 H ILE A 28 18.234 -5.711 -12.438 1.00 0.00 H new ATOM 0 HA ILE A 28 16.436 -8.072 -12.449 1.00 0.00 H new ATOM 0 HB ILE A 28 18.909 -7.543 -10.762 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.252 -9.620 -12.901 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.450 -8.347 -13.027 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.380 -9.752 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.062 -8.590 -9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.895 -9.834 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.517 -10.496 -12.407 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.695 -9.308 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.479 -10.601 -10.966 1.00 0.00 H new ATOM 419 N THR A 29 15.227 -7.241 -10.392 1.00 0.00 N ATOM 420 CA THR A 29 14.384 -6.612 -9.395 1.00 0.00 C ATOM 421 C THR A 29 14.300 -7.492 -8.156 1.00 0.00 C ATOM 422 O THR A 29 13.577 -8.485 -8.142 1.00 0.00 O ATOM 423 CB THR A 29 12.994 -6.373 -9.982 1.00 0.00 C ATOM 424 OG1 THR A 29 13.115 -5.699 -11.214 1.00 0.00 O ATOM 425 CG2 THR A 29 12.172 -5.526 -9.015 1.00 0.00 C ATOM 0 H THR A 29 14.925 -8.174 -10.672 1.00 0.00 H new ATOM 0 HA THR A 29 14.814 -5.653 -9.106 1.00 0.00 H new ATOM 0 HB THR A 29 12.495 -7.330 -10.139 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.224 -5.547 -11.592 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.180 -5.355 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.079 -6.048 -8.063 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.669 -4.569 -8.857 1.00 0.00 H new ATOM 433 N SER A 30 15.045 -7.123 -7.111 1.00 0.00 N ATOM 434 CA SER A 30 15.053 -7.877 -5.874 1.00 0.00 C ATOM 435 C SER A 30 14.070 -7.261 -4.888 1.00 0.00 C ATOM 436 O SER A 30 14.100 -6.056 -4.648 1.00 0.00 O ATOM 437 CB SER A 30 16.464 -7.888 -5.295 1.00 0.00 C ATOM 438 OG SER A 30 16.947 -6.566 -5.206 1.00 0.00 O ATOM 0 H SER A 30 15.650 -6.302 -7.106 1.00 0.00 H new ATOM 0 HA SER A 30 14.746 -8.905 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.460 -8.352 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.123 -8.485 -5.926 1.00 0.00 H new ATOM 0 HG SER A 30 16.292 -5.951 -5.599 1.00 0.00 H new ATOM 444 N ILE A 31 13.198 -8.094 -4.316 1.00 0.00 N ATOM 445 CA ILE A 31 12.212 -7.632 -3.358 1.00 0.00 C ATOM 446 C ILE A 31 12.767 -7.761 -1.947 1.00 0.00 C ATOM 447 O ILE A 31 13.343 -8.788 -1.596 1.00 0.00 O ATOM 448 CB ILE A 31 10.932 -8.446 -3.514 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.266 -9.814 -4.101 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.973 -7.713 -4.447 1.00 0.00 C ATOM 451 CD1 ILE A 31 12.097 -10.609 -3.097 1.00 0.00 C ATOM 0 H ILE A 31 13.161 -9.095 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 31 11.982 -6.583 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 31 10.463 -8.574 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.349 -10.353 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.818 -9.697 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.058 -8.295 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.733 -6.736 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.442 -7.584 -5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.336 -11.587 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 31 13.020 -10.071 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.529 -10.738 -2.176 1.00 0.00 H new ATOM 463 N CYS A 32 12.591 -6.715 -1.135 1.00 0.00 N ATOM 464 CA CYS A 32 13.074 -6.717 0.231 1.00 0.00 C ATOM 465 C CYS A 32 11.894 -6.737 1.193 1.00 0.00 C ATOM 466 O CYS A 32 11.729 -5.823 1.997 1.00 0.00 O ATOM 467 CB CYS A 32 13.941 -5.483 0.466 1.00 0.00 C ATOM 468 SG CYS A 32 15.069 -5.107 -0.900 1.00 0.00 S ATOM 0 H CYS A 32 12.114 -5.856 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 32 13.678 -7.607 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.293 -4.623 0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.524 -5.628 1.376 1.00 0.00 H new ATOM 538 N GLU A 37 15.991 -5.069 4.608 1.00 0.00 N ATOM 539 CA GLU A 37 16.764 -4.963 3.387 1.00 0.00 C ATOM 540 C GLU A 37 16.418 -3.670 2.662 1.00 0.00 C ATOM 541 O GLU A 37 15.251 -3.410 2.373 1.00 0.00 O ATOM 542 CB GLU A 37 16.480 -6.173 2.500 1.00 0.00 C ATOM 543 CG GLU A 37 17.463 -7.291 2.835 1.00 0.00 C ATOM 544 CD GLU A 37 18.711 -7.195 1.970 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.620 -7.612 0.795 1.00 0.00 O ATOM 546 OE2 GLU A 37 19.733 -6.706 2.500 1.00 0.00 O ATOM 0 HA GLU A 37 17.827 -4.945 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.457 -6.516 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.571 -5.897 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.740 -7.234 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.985 -8.259 2.684 1.00 0.00 H new ATOM 553 N VAL A 38 17.436 -2.859 2.369 1.00 0.00 N ATOM 554 CA VAL A 38 17.237 -1.599 1.681 1.00 0.00 C ATOM 555 C VAL A 38 17.945 -1.631 0.334 1.00 0.00 C ATOM 556 O VAL A 38 18.729 -2.538 0.064 1.00 0.00 O ATOM 557 CB VAL A 38 17.769 -0.459 2.544 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.089 0.846 2.141 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.474 -0.753 4.013 1.00 0.00 C ATOM 0 H VAL A 38 18.408 -3.061 2.602 1.00 0.00 H new ATOM 0 HA VAL A 38 16.173 -1.439 1.507 1.00 0.00 H new ATOM 0 HB VAL A 38 18.845 -0.367 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.469 1.660 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.299 1.057 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.012 0.755 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.854 0.061 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.397 -0.845 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.960 -1.685 4.302 1.00 0.00 H new ATOM 569 N CYS A 39 17.667 -0.636 -0.512 1.00 0.00 N ATOM 570 CA CYS A 39 18.276 -0.555 -1.824 1.00 0.00 C ATOM 571 C CYS A 39 19.560 0.258 -1.746 1.00 0.00 C ATOM 572 O CYS A 39 19.548 1.400 -1.288 1.00 0.00 O ATOM 573 CB CYS A 39 17.292 0.081 -2.802 1.00 0.00 C ATOM 574 SG CYS A 39 15.588 -0.500 -2.614 1.00 0.00 S ATOM 0 H CYS A 39 17.020 0.124 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 39 18.524 -1.556 -2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.313 1.163 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.624 -0.123 -3.820 1.00 0.00 H new ATOM 579 N ALA A 40 20.671 -0.333 -2.192 1.00 0.00 N ATOM 580 CA ALA A 40 21.955 0.337 -2.169 1.00 0.00 C ATOM 581 C ALA A 40 22.694 0.083 -3.476 1.00 0.00 C ATOM 582 O ALA A 40 22.768 -1.054 -3.937 1.00 0.00 O ATOM 583 CB ALA A 40 22.770 -0.166 -0.981 1.00 0.00 C ATOM 0 H ALA A 40 20.698 -1.279 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 40 21.806 1.411 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.736 0.338 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.233 0.045 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.923 -1.241 -1.074 1.00 0.00 H new ATOM 589 N ALA A 41 23.240 1.146 -4.072 1.00 0.00 N ATOM 590 CA ALA A 41 23.966 1.033 -5.320 1.00 0.00 C ATOM 591 C ALA A 41 25.297 1.763 -5.210 1.00 0.00 C ATOM 592 O ALA A 41 25.337 2.931 -4.830 1.00 0.00 O ATOM 593 CB ALA A 41 23.123 1.614 -6.452 1.00 0.00 C ATOM 0 H ALA A 41 23.187 2.095 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 41 24.166 -0.017 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.668 1.530 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.185 1.064 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.913 2.664 -6.247 1.00 0.00 H new ATOM 599 N VAL A 42 26.388 1.069 -5.542 1.00 0.00 N ATOM 600 CA VAL A 42 27.713 1.652 -5.477 1.00 0.00 C ATOM 601 C VAL A 42 28.340 1.659 -6.865 1.00 0.00 C ATOM 602 O VAL A 42 28.339 0.641 -7.555 1.00 0.00 O ATOM 603 CB VAL A 42 28.572 0.855 -4.500 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.333 -0.637 -4.712 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.046 1.173 -4.741 1.00 0.00 C ATOM 0 H VAL A 42 26.370 0.100 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 42 27.646 2.681 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 42 28.304 1.124 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.947 -1.207 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.281 -0.865 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.600 -0.907 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.660 0.604 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.314 0.904 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.218 2.239 -4.589 1.00 0.00 H new ATOM 615 N TRP A 43 28.877 2.811 -7.274 1.00 0.00 N ATOM 616 CA TRP A 43 29.504 2.940 -8.574 1.00 0.00 C ATOM 617 C TRP A 43 30.977 3.281 -8.407 1.00 0.00 C ATOM 618 O TRP A 43 31.319 4.319 -7.844 1.00 0.00 O ATOM 619 CB TRP A 43 28.786 4.020 -9.378 1.00 0.00 C ATOM 620 CG TRP A 43 29.486 4.442 -10.630 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.227 3.967 -11.867 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.561 5.417 -10.795 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.061 4.576 -12.781 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.906 5.481 -12.172 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.280 6.253 -9.922 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.907 6.327 -12.657 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.286 7.105 -10.399 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.602 7.145 -11.762 1.00 0.00 C ATOM 0 H TRP A 43 28.886 3.665 -6.716 1.00 0.00 H new ATOM 0 HA TRP A 43 29.431 1.995 -9.112 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.792 3.657 -9.639 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.649 4.895 -8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.481 3.224 -12.104 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.054 4.382 -13.782 1.00 0.00 H new ATOM 0 HE3 TRP A 43 31.053 6.238 -8.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.141 6.348 -13.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.823 7.737 -9.707 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.379 7.804 -12.120 1.00 0.00 H new ATOM 639 N ARG A 44 31.853 2.401 -8.899 1.00 0.00 N ATOM 640 CA ARG A 44 33.284 2.610 -8.803 1.00 0.00 C ATOM 641 C ARG A 44 33.857 2.892 -10.184 1.00 0.00 C ATOM 642 O ARG A 44 33.323 2.425 -11.188 1.00 0.00 O ATOM 643 CB ARG A 44 33.936 1.376 -8.188 1.00 0.00 C ATOM 644 CG ARG A 44 32.866 0.511 -7.527 1.00 0.00 C ATOM 645 CD ARG A 44 33.495 -0.301 -6.398 1.00 0.00 C ATOM 646 NE ARG A 44 33.582 -1.718 -6.755 1.00 0.00 N ATOM 647 CZ ARG A 44 34.460 -2.187 -7.652 1.00 0.00 C ATOM 648 NH1 ARG A 44 35.308 -1.348 -8.262 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.490 -3.496 -7.938 1.00 0.00 N ATOM 0 H ARG A 44 31.586 1.536 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 44 33.489 3.469 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.456 0.805 -8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.683 1.675 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.066 1.139 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.417 -0.156 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.491 0.084 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.903 -0.187 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 44 32.948 -2.376 -6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.285 -0.352 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 44 35.976 -1.705 -8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.845 -4.135 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.158 -3.854 -8.621 1.00 0.00 H new ATOM 663 N ARG A 45 34.950 3.657 -10.233 1.00 0.00 N ATOM 664 CA ARG A 45 35.590 3.997 -11.488 1.00 0.00 C ATOM 665 C ARG A 45 37.102 3.984 -11.316 1.00 0.00 C ATOM 666 O ARG A 45 37.665 4.874 -10.680 1.00 0.00 O ATOM 667 CB ARG A 45 35.110 5.372 -11.947 1.00 0.00 C ATOM 668 CG ARG A 45 35.502 6.420 -10.908 1.00 0.00 C ATOM 669 CD ARG A 45 36.603 7.311 -11.475 1.00 0.00 C ATOM 670 NE ARG A 45 37.427 6.580 -12.439 1.00 0.00 N ATOM 671 CZ ARG A 45 38.766 6.581 -12.398 1.00 0.00 C ATOM 672 NH1 ARG A 45 39.406 7.272 -11.445 1.00 0.00 N ATOM 673 NH2 ARG A 45 39.465 5.892 -13.311 1.00 0.00 N ATOM 0 H ARG A 45 35.406 4.050 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 45 35.324 3.261 -12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.551 5.619 -12.913 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.028 5.365 -12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.635 7.022 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.847 5.932 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 45 36.159 8.181 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 45 37.229 7.682 -10.664 1.00 0.00 H new ATOM 0 HE ARG A 45 36.962 6.047 -13.174 1.00 0.00 H new ATOM 0 HH11 ARG A 45 38.874 7.797 -10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 45 40.426 7.273 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 45 38.977 5.367 -14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 45 40.485 5.893 -13.280 1.00 0.00 H new ATOM 687 N ASN A 46 37.761 2.972 -11.885 1.00 0.00 N ATOM 688 CA ASN A 46 39.201 2.851 -11.791 1.00 0.00 C ATOM 689 C ASN A 46 39.831 3.087 -13.157 1.00 0.00 C ATOM 690 O ASN A 46 39.401 2.510 -14.152 1.00 0.00 O ATOM 691 CB ASN A 46 39.560 1.465 -11.264 1.00 0.00 C ATOM 692 CG ASN A 46 38.901 0.377 -12.101 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.954 -0.265 -11.653 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.405 0.173 -13.320 1.00 0.00 N ATOM 0 H ASN A 46 37.310 2.227 -12.416 1.00 0.00 H new ATOM 0 HA ASN A 46 39.588 3.601 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.642 1.335 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.242 1.373 -10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 46 39.002 -0.543 -13.925 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.193 0.733 -13.646 1.00 0.00 H new ATOM 701 N ASP A 47 40.857 3.941 -13.201 1.00 0.00 N ATOM 702 CA ASP A 47 41.541 4.251 -14.440 1.00 0.00 C ATOM 703 C ASP A 47 40.525 4.414 -15.562 1.00 0.00 C ATOM 704 O ASP A 47 39.915 5.472 -15.699 1.00 0.00 O ATOM 705 CB ASP A 47 42.532 3.136 -14.766 1.00 0.00 C ATOM 706 CG ASP A 47 43.957 3.567 -14.449 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.207 3.879 -13.264 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.771 3.576 -15.398 1.00 0.00 O ATOM 0 H ASP A 47 41.227 4.427 -12.384 1.00 0.00 H new ATOM 0 HA ASP A 47 42.089 5.187 -14.333 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.282 2.243 -14.194 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.454 2.871 -15.820 1.00 0.00 H new ATOM 713 N GLU A 48 40.345 3.364 -16.365 1.00 0.00 N ATOM 714 CA GLU A 48 39.405 3.399 -17.466 1.00 0.00 C ATOM 715 C GLU A 48 38.402 2.263 -17.331 1.00 0.00 C ATOM 716 O GLU A 48 37.699 1.932 -18.283 1.00 0.00 O ATOM 717 CB GLU A 48 40.166 3.294 -18.786 1.00 0.00 C ATOM 718 CG GLU A 48 40.971 4.570 -19.012 1.00 0.00 C ATOM 719 CD GLU A 48 41.634 4.558 -20.382 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.324 3.556 -20.669 1.00 0.00 O ATOM 721 OE2 GLU A 48 41.439 5.550 -21.116 1.00 0.00 O ATOM 0 H GLU A 48 40.844 2.480 -16.266 1.00 0.00 H new ATOM 0 HA GLU A 48 38.857 4.341 -17.449 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.831 2.430 -18.767 1.00 0.00 H new ATOM 0 HB3 GLU A 48 39.468 3.141 -19.609 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.316 5.437 -18.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.731 4.668 -18.237 1.00 0.00 H new ATOM 728 N ASN A 49 38.336 1.664 -16.139 1.00 0.00 N ATOM 729 CA ASN A 49 37.421 0.570 -15.884 1.00 0.00 C ATOM 730 C ASN A 49 36.449 0.955 -14.777 1.00 0.00 C ATOM 731 O ASN A 49 36.776 0.856 -13.596 1.00 0.00 O ATOM 732 CB ASN A 49 38.213 -0.675 -15.498 1.00 0.00 C ATOM 733 CG ASN A 49 38.059 -1.765 -16.550 1.00 0.00 C ATOM 734 OD1 ASN A 49 39.048 -2.340 -16.998 1.00 0.00 O ATOM 735 ND2 ASN A 49 36.815 -2.047 -16.942 1.00 0.00 N ATOM 0 H ASN A 49 38.911 1.926 -15.339 1.00 0.00 H new ATOM 0 HA ASN A 49 36.847 0.355 -16.785 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.267 -0.420 -15.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.869 -1.045 -14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 49 36.653 -2.769 -17.644 1.00 0.00 H new ATOM 0 HD22 ASN A 49 36.026 -1.541 -16.539 1.00 0.00 H new ATOM 742 N VAL A 50 35.249 1.395 -15.163 1.00 0.00 N ATOM 743 CA VAL A 50 34.235 1.791 -14.207 1.00 0.00 C ATOM 744 C VAL A 50 33.243 0.655 -14.007 1.00 0.00 C ATOM 745 O VAL A 50 32.658 0.163 -14.969 1.00 0.00 O ATOM 746 CB VAL A 50 33.527 3.046 -14.708 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.513 3.509 -13.666 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.555 4.150 -14.943 1.00 0.00 C ATOM 0 H VAL A 50 34.963 1.483 -16.138 1.00 0.00 H new ATOM 0 HA VAL A 50 34.701 2.012 -13.247 1.00 0.00 H new ATOM 0 HB VAL A 50 33.012 2.824 -15.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 32.007 4.406 -14.024 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.779 2.721 -13.497 1.00 0.00 H new ATOM 0 HG13 VAL A 50 33.028 3.731 -12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 50 34.050 5.047 -15.301 1.00 0.00 H new ATOM 0 HG22 VAL A 50 35.070 4.372 -14.009 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.280 3.820 -15.687 1.00 0.00 H new ATOM 758 N THR A 51 33.054 0.238 -12.753 1.00 0.00 N ATOM 759 CA THR A 51 32.134 -0.836 -12.438 1.00 0.00 C ATOM 760 C THR A 51 31.056 -0.333 -11.489 1.00 0.00 C ATOM 761 O THR A 51 31.344 0.404 -10.548 1.00 0.00 O ATOM 762 CB THR A 51 32.903 -1.998 -11.816 1.00 0.00 C ATOM 763 OG1 THR A 51 32.955 -1.831 -10.417 1.00 0.00 O ATOM 764 CG2 THR A 51 34.321 -2.028 -12.378 1.00 0.00 C ATOM 0 H THR A 51 33.531 0.634 -11.943 1.00 0.00 H new ATOM 0 HA THR A 51 31.651 -1.184 -13.351 1.00 0.00 H new ATOM 0 HB THR A 51 32.399 -2.935 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.544 -1.078 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.871 -2.858 -11.934 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.281 -2.157 -13.460 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.826 -1.091 -12.142 1.00 0.00 H new ATOM 772 N LEU A 52 29.807 -0.735 -11.737 1.00 0.00 N ATOM 773 CA LEU A 52 28.691 -0.326 -10.907 1.00 0.00 C ATOM 774 C LEU A 52 27.993 -1.554 -10.340 1.00 0.00 C ATOM 775 O LEU A 52 27.736 -2.515 -11.061 1.00 0.00 O ATOM 776 CB LEU A 52 27.722 0.512 -11.735 1.00 0.00 C ATOM 777 CG LEU A 52 26.895 1.397 -10.806 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.336 2.578 -11.593 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.742 0.583 -10.224 1.00 0.00 C ATOM 0 H LEU A 52 29.551 -1.347 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 52 29.054 0.278 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.273 1.127 -12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.067 -0.137 -12.315 1.00 0.00 H new ATOM 0 HG LEU A 52 27.526 1.766 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.745 3.210 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.158 3.159 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.704 2.210 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.150 1.213 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.111 0.216 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.140 -0.262 -9.662 1.00 0.00 H new ATOM 791 N GLU A 53 27.686 -1.520 -9.041 1.00 0.00 N ATOM 792 CA GLU A 53 27.019 -2.628 -8.386 1.00 0.00 C ATOM 793 C GLU A 53 25.704 -2.157 -7.781 1.00 0.00 C ATOM 794 O GLU A 53 25.629 -1.068 -7.217 1.00 0.00 O ATOM 795 CB GLU A 53 27.933 -3.206 -7.310 1.00 0.00 C ATOM 796 CG GLU A 53 27.692 -4.708 -7.191 1.00 0.00 C ATOM 797 CD GLU A 53 28.435 -5.285 -5.995 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.815 -4.476 -5.119 1.00 0.00 O ATOM 799 OE2 GLU A 53 28.610 -6.522 -5.978 1.00 0.00 O ATOM 0 H GLU A 53 27.893 -0.731 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 53 26.800 -3.407 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.976 -3.013 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.740 -2.719 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.624 -4.902 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.021 -5.206 -8.103 1.00 0.00 H new ATOM 806 N THR A 54 24.663 -2.986 -7.900 1.00 0.00 N ATOM 807 CA THR A 54 23.359 -2.651 -7.364 1.00 0.00 C ATOM 808 C THR A 54 22.753 -3.866 -6.677 1.00 0.00 C ATOM 809 O THR A 54 22.671 -4.941 -7.267 1.00 0.00 O ATOM 810 CB THR A 54 22.457 -2.161 -8.492 1.00 0.00 C ATOM 811 OG1 THR A 54 23.150 -2.243 -9.717 1.00 0.00 O ATOM 812 CG2 THR A 54 22.056 -0.712 -8.230 1.00 0.00 C ATOM 0 H THR A 54 24.707 -3.893 -8.365 1.00 0.00 H new ATOM 0 HA THR A 54 23.460 -1.856 -6.625 1.00 0.00 H new ATOM 0 HB THR A 54 21.563 -2.782 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.395 -3.176 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.411 -0.361 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.520 -0.648 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.950 -0.090 -8.184 1.00 0.00 H new ATOM 820 N ILE A 55 22.326 -3.693 -5.424 1.00 0.00 N ATOM 821 CA ILE A 55 21.728 -4.770 -4.661 1.00 0.00 C ATOM 822 C ILE A 55 21.062 -4.210 -3.413 1.00 0.00 C ATOM 823 O ILE A 55 21.392 -3.110 -2.973 1.00 0.00 O ATOM 824 CB ILE A 55 22.803 -5.789 -4.292 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.142 -5.077 -4.122 1.00 0.00 C ATOM 826 CG2 ILE A 55 22.917 -6.831 -5.401 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.001 -3.970 -3.081 1.00 0.00 C ATOM 0 H ILE A 55 22.388 -2.808 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 55 20.966 -5.268 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 55 22.533 -6.281 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.907 -5.788 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.466 -4.656 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.684 -7.559 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.961 -7.340 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.188 -6.340 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.957 -3.461 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.248 -3.254 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.697 -4.403 -2.128 1.00 0.00 H new ATOM 839 N CYS A 56 20.124 -4.967 -2.842 1.00 0.00 N ATOM 840 CA CYS A 56 19.419 -4.544 -1.649 1.00 0.00 C ATOM 841 C CYS A 56 20.333 -4.666 -0.439 1.00 0.00 C ATOM 842 O CYS A 56 20.323 -5.681 0.252 1.00 0.00 O ATOM 843 CB CYS A 56 18.167 -5.399 -1.468 1.00 0.00 C ATOM 844 SG CYS A 56 16.806 -4.543 -0.637 1.00 0.00 S ATOM 0 H CYS A 56 19.839 -5.881 -3.195 1.00 0.00 H new ATOM 0 HA CYS A 56 19.120 -3.501 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 56 17.826 -5.738 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.427 -6.289 -0.895 1.00 0.00 H new ATOM 849 N HIS A 57 21.130 -3.624 -0.184 1.00 0.00 N ATOM 850 CA HIS A 57 22.047 -3.623 0.938 1.00 0.00 C ATOM 851 C HIS A 57 21.579 -2.628 1.990 1.00 0.00 C ATOM 852 O HIS A 57 21.013 -1.588 1.659 1.00 0.00 O ATOM 853 CB HIS A 57 23.448 -3.272 0.448 1.00 0.00 C ATOM 854 CG HIS A 57 24.385 -2.923 1.572 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.174 -3.804 2.275 1.00 0.00 N ATOM 856 CD2 HIS A 57 24.607 -1.670 2.077 1.00 0.00 C ATOM 857 CE1 HIS A 57 25.856 -3.090 3.188 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.546 -1.785 3.107 1.00 0.00 N ATOM 0 H HIS A 57 21.152 -2.773 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 57 22.071 -4.614 1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 57 23.855 -4.115 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.387 -2.431 -0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.140 -0.756 1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.559 -3.509 3.892 1.00 0.00 H new ATOM 0 HE2 HIS A 57 25.920 -1.030 3.681 1.00 0.00 H new ATOM 866 N ASP A 58 21.817 -2.949 3.264 1.00 0.00 N ATOM 867 CA ASP A 58 21.419 -2.086 4.357 1.00 0.00 C ATOM 868 C ASP A 58 22.457 -0.988 4.550 1.00 0.00 C ATOM 869 O ASP A 58 23.655 -1.262 4.578 1.00 0.00 O ATOM 870 CB ASP A 58 21.267 -2.914 5.630 1.00 0.00 C ATOM 871 CG ASP A 58 19.955 -3.686 5.622 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.841 -4.602 4.778 1.00 0.00 O ATOM 873 OD2 ASP A 58 19.091 -3.346 6.458 1.00 0.00 O ATOM 0 H ASP A 58 22.286 -3.806 3.556 1.00 0.00 H new ATOM 0 HA ASP A 58 20.461 -1.619 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.102 -3.609 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.303 -2.260 6.501 1.00 0.00 H new ATOM 878 N PRO A 59 21.993 0.258 4.681 1.00 0.00 N ATOM 879 CA PRO A 59 22.830 1.422 4.872 1.00 0.00 C ATOM 880 C PRO A 59 23.405 1.413 6.282 1.00 0.00 C ATOM 881 O PRO A 59 23.824 2.449 6.791 1.00 0.00 O ATOM 882 CB PRO A 59 21.895 2.613 4.672 1.00 0.00 C ATOM 883 CG PRO A 59 20.545 2.064 5.132 1.00 0.00 C ATOM 884 CD PRO A 59 20.592 0.615 4.652 1.00 0.00 C ATOM 0 HA PRO A 59 23.675 1.454 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.205 3.474 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.867 2.935 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.429 2.129 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.713 2.611 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.005 -0.035 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.180 0.518 3.647 1.00 0.00 H new ATOM 892 N GLN A 60 23.424 0.235 6.912 1.00 0.00 N ATOM 893 CA GLN A 60 23.943 0.097 8.257 1.00 0.00 C ATOM 894 C GLN A 60 25.357 -0.467 8.210 1.00 0.00 C ATOM 895 O GLN A 60 26.220 -0.049 8.979 1.00 0.00 O ATOM 896 CB GLN A 60 23.024 -0.815 9.065 1.00 0.00 C ATOM 897 CG GLN A 60 23.099 -0.436 10.541 1.00 0.00 C ATOM 898 CD GLN A 60 21.770 -0.693 11.235 1.00 0.00 C ATOM 899 OE1 GLN A 60 21.108 0.243 11.680 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.378 -1.966 11.328 1.00 0.00 N ATOM 0 H GLN A 60 23.082 -0.634 6.502 1.00 0.00 H new ATOM 0 HA GLN A 60 23.979 1.074 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.998 -0.724 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.318 -1.856 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.886 -1.011 11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.367 0.616 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.962 -2.709 10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.495 -2.196 11.784 1.00 0.00 H new ATOM 909 N LYS A 61 25.590 -1.418 7.303 1.00 0.00 N ATOM 910 CA LYS A 61 26.895 -2.032 7.160 1.00 0.00 C ATOM 911 C LYS A 61 27.772 -1.180 6.253 1.00 0.00 C ATOM 912 O LYS A 61 27.269 -0.486 5.372 1.00 0.00 O ATOM 913 CB LYS A 61 26.735 -3.438 6.591 1.00 0.00 C ATOM 914 CG LYS A 61 26.215 -4.371 7.681 1.00 0.00 C ATOM 915 CD LYS A 61 26.081 -5.784 7.119 1.00 0.00 C ATOM 916 CE LYS A 61 25.358 -6.668 8.133 1.00 0.00 C ATOM 917 NZ LYS A 61 26.313 -7.474 8.908 1.00 0.00 N ATOM 0 H LYS A 61 24.884 -1.775 6.659 1.00 0.00 H new ATOM 0 HA LYS A 61 27.376 -2.101 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.044 -3.425 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.691 -3.800 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.896 -4.369 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.250 -4.020 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.528 -5.763 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.067 -6.195 6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 61 24.770 -6.046 8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.659 -7.325 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 25.796 -8.065 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.856 -8.083 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.963 -6.844 9.420 1.00 0.00 H new ATOM 931 N ARG A 62 29.088 -1.234 6.472 1.00 0.00 N ATOM 932 CA ARG A 62 30.028 -0.469 5.678 1.00 0.00 C ATOM 933 C ARG A 62 30.472 -1.289 4.474 1.00 0.00 C ATOM 934 O ARG A 62 31.045 -2.365 4.629 1.00 0.00 O ATOM 935 CB ARG A 62 31.226 -0.084 6.540 1.00 0.00 C ATOM 936 CG ARG A 62 31.074 1.362 7.006 1.00 0.00 C ATOM 937 CD ARG A 62 29.741 1.524 7.734 1.00 0.00 C ATOM 938 NE ARG A 62 29.752 2.707 8.593 1.00 0.00 N ATOM 939 CZ ARG A 62 28.672 3.476 8.782 1.00 0.00 C ATOM 940 NH1 ARG A 62 27.518 3.172 8.174 1.00 0.00 N ATOM 941 NH2 ARG A 62 28.745 4.550 9.581 1.00 0.00 N ATOM 0 H ARG A 62 29.520 -1.805 7.198 1.00 0.00 H new ATOM 0 HA ARG A 62 29.549 0.441 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 62 31.297 -0.749 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.149 -0.199 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 62 31.897 1.631 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.119 2.037 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 62 28.933 1.606 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 62 29.540 0.637 8.334 1.00 0.00 H new ATOM 0 HE ARG A 62 30.619 2.957 9.068 1.00 0.00 H new ATOM 0 HH11 ARG A 62 27.461 2.354 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 62 26.696 3.758 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 62 29.623 4.782 10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 62 27.922 5.136 9.725 1.00 0.00 H new ATOM 955 N LEU A 63 30.206 -0.776 3.270 1.00 0.00 N ATOM 956 CA LEU A 63 30.578 -1.459 2.048 1.00 0.00 C ATOM 957 C LEU A 63 31.841 -0.835 1.472 1.00 0.00 C ATOM 958 O LEU A 63 31.999 0.384 1.490 1.00 0.00 O ATOM 959 CB LEU A 63 29.429 -1.376 1.048 1.00 0.00 C ATOM 960 CG LEU A 63 29.861 -1.998 -0.276 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.620 -3.504 -0.233 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.049 -1.384 -1.414 1.00 0.00 C ATOM 0 H LEU A 63 29.732 0.115 3.125 1.00 0.00 H new ATOM 0 HA LEU A 63 30.780 -2.509 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.555 -1.897 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.139 -0.336 0.896 1.00 0.00 H new ATOM 0 HG LEU A 63 30.921 -1.805 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.929 -3.949 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.199 -3.942 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.560 -3.698 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.357 -1.828 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 63 27.989 -1.577 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.221 -0.308 -1.444 1.00 0.00 H new ATOM 974 N TYR A 64 32.741 -1.675 0.956 1.00 0.00 N ATOM 975 CA TYR A 64 33.984 -1.202 0.379 1.00 0.00 C ATOM 976 C TYR A 64 34.685 -0.269 1.357 1.00 0.00 C ATOM 977 O TYR A 64 35.502 0.556 0.955 1.00 0.00 O ATOM 978 CB TYR A 64 33.692 -0.487 -0.937 1.00 0.00 C ATOM 979 CG TYR A 64 33.056 -1.378 -1.978 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.747 -2.497 -2.457 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.778 -1.083 -2.465 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.159 -3.322 -3.423 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.189 -1.907 -3.431 1.00 0.00 C ATOM 984 CZ TYR A 64 31.879 -3.027 -3.911 1.00 0.00 C ATOM 985 OH TYR A 64 31.306 -3.830 -4.852 1.00 0.00 O ATOM 0 H TYR A 64 32.624 -2.688 0.930 1.00 0.00 H new ATOM 0 HA TYR A 64 34.643 -2.047 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.033 0.360 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.622 -0.082 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.734 -2.724 -2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.246 -0.219 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.692 -4.186 -3.792 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.202 -1.679 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 64 30.403 -4.080 -4.563 1.00 0.00 H new ATOM 995 N GLY A 65 34.364 -0.403 2.646 1.00 0.00 N ATOM 996 CA GLY A 65 34.964 0.428 3.669 1.00 0.00 C ATOM 997 C GLY A 65 34.322 1.809 3.672 1.00 0.00 C ATOM 998 O GLY A 65 34.829 2.734 4.303 1.00 0.00 O ATOM 0 H GLY A 65 33.690 -1.083 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 65 34.841 -0.040 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.036 0.518 3.492 1.00 0.00 H new ATOM 1002 N HIS A 66 33.199 1.946 2.961 1.00 0.00 N ATOM 1003 CA HIS A 66 32.497 3.210 2.885 1.00 0.00 C ATOM 1004 C HIS A 66 31.103 3.068 3.479 1.00 0.00 C ATOM 1005 O HIS A 66 30.497 2.001 3.401 1.00 0.00 O ATOM 1006 CB HIS A 66 32.420 3.661 1.428 1.00 0.00 C ATOM 1007 CG HIS A 66 33.641 3.279 0.638 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.948 3.516 0.999 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.653 2.635 -0.570 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.730 3.021 0.023 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.987 2.474 -0.954 1.00 0.00 N ATOM 0 H HIS A 66 32.764 1.190 2.432 1.00 0.00 H new ATOM 0 HA HIS A 66 33.037 3.963 3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.538 3.221 0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 66 32.293 4.743 1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.787 2.310 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.809 3.058 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 66 35.329 2.030 -1.806 1.00 0.00 H new ATOM 1019 N MET A 67 30.593 4.149 4.073 1.00 0.00 N ATOM 1020 CA MET A 67 29.276 4.137 4.677 1.00 0.00 C ATOM 1021 C MET A 67 28.398 5.197 4.028 1.00 0.00 C ATOM 1022 O MET A 67 28.788 6.360 3.935 1.00 0.00 O ATOM 1023 CB MET A 67 29.403 4.386 6.177 1.00 0.00 C ATOM 1024 CG MET A 67 30.107 5.720 6.413 1.00 0.00 C ATOM 1025 SD MET A 67 31.549 5.608 7.502 1.00 0.00 S ATOM 1026 CE MET A 67 31.200 7.012 8.589 1.00 0.00 C ATOM 0 H MET A 67 31.080 5.042 4.144 1.00 0.00 H new ATOM 0 HA MET A 67 28.811 3.164 4.520 1.00 0.00 H new ATOM 0 HB2 MET A 67 28.416 4.396 6.640 1.00 0.00 H new ATOM 0 HB3 MET A 67 29.966 3.578 6.644 1.00 0.00 H new ATOM 0 HG2 MET A 67 30.421 6.129 5.452 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.394 6.425 6.842 1.00 0.00 H new ATOM 0 HE1 MET A 67 31.991 7.101 9.334 1.00 0.00 H new ATOM 0 HE2 MET A 67 31.153 7.927 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 67 30.245 6.855 9.091 1.00 0.00 H new ATOM 1036 N LEU A 68 27.208 4.793 3.578 1.00 0.00 N ATOM 1037 CA LEU A 68 26.281 5.706 2.940 1.00 0.00 C ATOM 1038 C LEU A 68 25.244 6.177 3.950 1.00 0.00 C ATOM 1039 O LEU A 68 24.753 5.387 4.754 1.00 0.00 O ATOM 1040 CB LEU A 68 25.610 5.007 1.761 1.00 0.00 C ATOM 1041 CG LEU A 68 25.806 3.499 1.885 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.896 2.957 2.983 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.457 2.831 0.558 1.00 0.00 C ATOM 0 H LEU A 68 26.870 3.833 3.648 1.00 0.00 H new ATOM 0 HA LEU A 68 26.820 6.578 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.547 5.246 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.035 5.364 0.823 1.00 0.00 H new ATOM 0 HG LEU A 68 26.845 3.286 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.035 1.880 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.145 3.435 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.857 3.169 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.597 1.754 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.418 3.043 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.107 3.219 -0.227 1.00 0.00 H new ATOM 1055 N ASP A 69 24.910 7.469 3.906 1.00 0.00 N ATOM 1056 CA ASP A 69 23.935 8.038 4.814 1.00 0.00 C ATOM 1057 C ASP A 69 22.921 8.861 4.032 1.00 0.00 C ATOM 1058 O ASP A 69 23.171 10.024 3.722 1.00 0.00 O ATOM 1059 CB ASP A 69 24.649 8.901 5.850 1.00 0.00 C ATOM 1060 CG ASP A 69 24.522 8.298 7.242 1.00 0.00 C ATOM 1061 OD1 ASP A 69 25.184 7.264 7.475 1.00 0.00 O ATOM 1062 OD2 ASP A 69 23.765 8.882 8.047 1.00 0.00 O ATOM 0 H ASP A 69 25.308 8.136 3.245 1.00 0.00 H new ATOM 0 HA ASP A 69 23.403 7.239 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.702 8.996 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.227 9.906 5.845 1.00 0.00 H new ATOM 1067 N ASP A 70 21.775 8.255 3.714 1.00 0.00 N ATOM 1068 CA ASP A 70 20.733 8.933 2.970 1.00 0.00 C ATOM 1069 C ASP A 70 19.709 7.921 2.479 1.00 0.00 C ATOM 1070 O ASP A 70 19.064 8.135 1.455 1.00 0.00 O ATOM 1071 CB ASP A 70 21.354 9.687 1.798 1.00 0.00 C ATOM 1072 CG ASP A 70 22.515 8.904 1.202 1.00 0.00 C ATOM 1073 OD1 ASP A 70 22.264 7.759 0.768 1.00 0.00 O ATOM 1074 OD2 ASP A 70 23.632 9.465 1.192 1.00 0.00 O ATOM 0 H ASP A 70 21.553 7.292 3.965 1.00 0.00 H new ATOM 0 HA ASP A 70 20.226 9.649 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.598 9.863 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.703 10.664 2.133 1.00 0.00 H new ATOM 1079 N SER A 71 19.561 6.815 3.212 1.00 0.00 N ATOM 1080 CA SER A 71 18.616 5.779 2.847 1.00 0.00 C ATOM 1081 C SER A 71 17.195 6.312 2.959 1.00 0.00 C ATOM 1082 O SER A 71 16.335 5.973 2.147 1.00 0.00 O ATOM 1083 CB SER A 71 18.813 4.569 3.757 1.00 0.00 C ATOM 1084 OG SER A 71 17.686 3.727 3.668 1.00 0.00 O ATOM 0 H SER A 71 20.089 6.622 4.063 1.00 0.00 H new ATOM 0 HA SER A 71 18.787 5.474 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.711 4.024 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.957 4.895 4.787 1.00 0.00 H new ATOM 0 HG SER A 71 17.562 3.256 4.518 1.00 0.00 H new ATOM 1090 N SER A 72 16.949 7.150 3.968 1.00 0.00 N ATOM 1091 CA SER A 72 15.636 7.726 4.179 1.00 0.00 C ATOM 1092 C SER A 72 15.382 8.824 3.154 1.00 0.00 C ATOM 1093 O SER A 72 14.295 9.394 3.107 1.00 0.00 O ATOM 1094 CB SER A 72 15.548 8.282 5.598 1.00 0.00 C ATOM 1095 OG SER A 72 16.138 9.562 5.639 1.00 0.00 O ATOM 0 H SER A 72 17.650 7.441 4.650 1.00 0.00 H new ATOM 0 HA SER A 72 14.874 6.957 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.506 8.340 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.055 7.614 6.294 1.00 0.00 H new ATOM 0 HG SER A 72 16.080 9.920 6.549 1.00 0.00 H new ATOM 1101 N SER A 73 16.392 9.116 2.331 1.00 0.00 N ATOM 1102 CA SER A 73 16.273 10.139 1.311 1.00 0.00 C ATOM 1103 C SER A 73 15.477 9.601 0.130 1.00 0.00 C ATOM 1104 O SER A 73 15.646 8.449 -0.265 1.00 0.00 O ATOM 1105 CB SER A 73 17.666 10.579 0.869 1.00 0.00 C ATOM 1106 OG SER A 73 17.583 11.840 0.244 1.00 0.00 O ATOM 0 H SER A 73 17.300 8.652 2.358 1.00 0.00 H new ATOM 0 HA SER A 73 15.745 11.002 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.333 10.631 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.089 9.847 0.181 1.00 0.00 H new ATOM 0 HG SER A 73 18.477 12.124 -0.039 1.00 0.00 H new ATOM 1112 N GLU A 74 14.607 10.440 -0.436 1.00 0.00 N ATOM 1113 CA GLU A 74 13.794 10.046 -1.568 1.00 0.00 C ATOM 1114 C GLU A 74 14.657 9.942 -2.817 1.00 0.00 C ATOM 1115 O GLU A 74 14.195 9.483 -3.860 1.00 0.00 O ATOM 1116 CB GLU A 74 12.673 11.063 -1.767 1.00 0.00 C ATOM 1117 CG GLU A 74 11.324 10.373 -1.599 1.00 0.00 C ATOM 1118 CD GLU A 74 10.457 10.565 -2.835 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.900 11.676 -2.971 1.00 0.00 O ATOM 1120 OE2 GLU A 74 10.370 9.597 -3.621 1.00 0.00 O ATOM 0 H GLU A 74 14.454 11.398 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 74 13.351 9.068 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.771 11.874 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.744 11.509 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.476 9.309 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.812 10.775 -0.725 1.00 0.00 H new ATOM 1127 N GLN A 75 15.916 10.372 -2.710 1.00 0.00 N ATOM 1128 CA GLN A 75 16.838 10.326 -3.828 1.00 0.00 C ATOM 1129 C GLN A 75 18.185 9.791 -3.365 1.00 0.00 C ATOM 1130 O GLN A 75 18.743 10.274 -2.382 1.00 0.00 O ATOM 1131 CB GLN A 75 16.985 11.725 -4.420 1.00 0.00 C ATOM 1132 CG GLN A 75 17.579 12.662 -3.372 1.00 0.00 C ATOM 1133 CD GLN A 75 17.215 14.109 -3.669 1.00 0.00 C ATOM 1134 OE1 GLN A 75 18.095 14.951 -3.830 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.914 14.397 -3.741 1.00 0.00 N ATOM 0 H GLN A 75 16.314 10.756 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 75 16.451 9.658 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.627 11.693 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.014 12.097 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.213 12.386 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.663 12.552 -3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.220 13.662 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.613 15.352 -3.937 1.00 0.00 H new ATOM 1144 N CYS A 76 18.708 8.790 -4.078 1.00 0.00 N ATOM 1145 CA CYS A 76 19.985 8.194 -3.739 1.00 0.00 C ATOM 1146 C CYS A 76 21.115 9.062 -4.276 1.00 0.00 C ATOM 1147 O CYS A 76 21.131 9.403 -5.457 1.00 0.00 O ATOM 1148 CB CYS A 76 20.059 6.786 -4.323 1.00 0.00 C ATOM 1149 SG CYS A 76 21.723 6.290 -4.835 1.00 0.00 S ATOM 0 H CYS A 76 18.257 8.380 -4.896 1.00 0.00 H new ATOM 0 HA CYS A 76 20.086 8.128 -2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.691 6.076 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.392 6.724 -5.183 1.00 0.00 H new ATOM 1154 N VAL A 77 22.062 9.418 -3.405 1.00 0.00 N ATOM 1155 CA VAL A 77 23.189 10.241 -3.794 1.00 0.00 C ATOM 1156 C VAL A 77 24.481 9.452 -3.641 1.00 0.00 C ATOM 1157 O VAL A 77 24.639 8.694 -2.687 1.00 0.00 O ATOM 1158 CB VAL A 77 23.218 11.501 -2.932 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.978 11.215 -1.640 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.917 12.622 -3.695 1.00 0.00 C ATOM 0 H VAL A 77 22.062 9.143 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 77 23.088 10.534 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 77 22.198 11.803 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.999 12.114 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.480 10.413 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.998 10.913 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.938 13.522 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.937 12.320 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.376 12.826 -4.619 1.00 0.00 H new ATOM 1170 N MET A 78 25.407 9.631 -4.585 1.00 0.00 N ATOM 1171 CA MET A 78 26.677 8.935 -4.549 1.00 0.00 C ATOM 1172 C MET A 78 27.665 9.703 -3.685 1.00 0.00 C ATOM 1173 O MET A 78 27.982 10.856 -3.970 1.00 0.00 O ATOM 1174 CB MET A 78 27.210 8.780 -5.971 1.00 0.00 C ATOM 1175 CG MET A 78 26.654 7.499 -6.586 1.00 0.00 C ATOM 1176 SD MET A 78 26.864 6.032 -5.547 1.00 0.00 S ATOM 1177 CE MET A 78 27.305 4.831 -6.829 1.00 0.00 C ATOM 0 H MET A 78 25.292 10.256 -5.383 1.00 0.00 H new ATOM 0 HA MET A 78 26.540 7.945 -4.114 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.922 9.641 -6.575 1.00 0.00 H new ATOM 0 HB3 MET A 78 28.299 8.748 -5.961 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.592 7.638 -6.791 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.144 7.326 -7.544 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.761 3.902 -6.659 1.00 0.00 H new ATOM 0 HE2 MET A 78 27.043 5.231 -7.808 1.00 0.00 H new ATOM 0 HE3 MET A 78 28.377 4.636 -6.792 1.00 0.00 H new ATOM 1187 N LYS A 79 28.155 9.060 -2.622 1.00 0.00 N ATOM 1188 CA LYS A 79 29.103 9.684 -1.721 1.00 0.00 C ATOM 1189 C LYS A 79 30.512 9.204 -2.040 1.00 0.00 C ATOM 1190 O LYS A 79 30.774 8.003 -2.062 1.00 0.00 O ATOM 1191 CB LYS A 79 28.731 9.348 -0.280 1.00 0.00 C ATOM 1192 CG LYS A 79 27.814 10.434 0.275 1.00 0.00 C ATOM 1193 CD LYS A 79 28.483 11.106 1.470 1.00 0.00 C ATOM 1194 CE LYS A 79 27.500 12.067 2.131 1.00 0.00 C ATOM 1195 NZ LYS A 79 27.467 11.870 3.588 1.00 0.00 N ATOM 0 H LYS A 79 27.904 8.104 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 79 29.072 10.766 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.232 8.380 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.631 9.270 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 79 27.599 11.173 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.860 10.000 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.810 10.353 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.373 11.646 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.784 13.095 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.503 11.914 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.791 12.536 4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.173 10.895 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.414 12.039 3.983 1.00 0.00 H new ATOM 1209 N GLU A 80 31.422 10.149 -2.289 1.00 0.00 N ATOM 1210 CA GLU A 80 32.797 9.818 -2.604 1.00 0.00 C ATOM 1211 C GLU A 80 33.504 9.294 -1.361 1.00 0.00 C ATOM 1212 O GLU A 80 33.568 9.979 -0.343 1.00 0.00 O ATOM 1213 CB GLU A 80 33.505 11.057 -3.146 1.00 0.00 C ATOM 1214 CG GLU A 80 33.745 12.045 -2.007 1.00 0.00 C ATOM 1215 CD GLU A 80 33.889 13.463 -2.540 1.00 0.00 C ATOM 1216 OE1 GLU A 80 34.993 13.773 -3.038 1.00 0.00 O ATOM 1217 OE2 GLU A 80 32.892 14.210 -2.440 1.00 0.00 O ATOM 0 H GLU A 80 31.222 11.149 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 80 32.820 9.038 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.453 10.776 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.901 11.523 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.916 12.000 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.645 11.764 -1.460 1.00 0.00 H new ATOM 1224 N LYS A 81 34.035 8.072 -1.448 1.00 0.00 N ATOM 1225 CA LYS A 81 34.733 7.463 -0.335 1.00 0.00 C ATOM 1226 C LYS A 81 36.201 7.264 -0.688 1.00 0.00 C ATOM 1227 O LYS A 81 36.546 7.120 -1.859 1.00 0.00 O ATOM 1228 CB LYS A 81 34.074 6.129 0.009 1.00 0.00 C ATOM 1229 CG LYS A 81 32.631 6.134 -0.484 1.00 0.00 C ATOM 1230 CD LYS A 81 31.790 7.041 0.408 1.00 0.00 C ATOM 1231 CE LYS A 81 30.397 6.442 0.575 1.00 0.00 C ATOM 1232 NZ LYS A 81 29.600 7.218 1.538 1.00 0.00 N ATOM 0 H LYS A 81 33.990 7.491 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 81 34.676 8.118 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.625 5.309 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.101 5.965 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.590 6.482 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.229 5.121 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.267 7.155 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.719 8.036 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 29.889 6.421 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.480 5.410 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.617 7.282 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.620 6.747 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.998 8.175 1.627 1.00 0.00 H new ATOM 1246 N LYS A 82 37.065 7.257 0.330 1.00 0.00 N ATOM 1247 CA LYS A 82 38.487 7.076 0.122 1.00 0.00 C ATOM 1248 C LYS A 82 38.737 5.799 -0.668 1.00 0.00 C ATOM 1249 O LYS A 82 38.682 4.703 -0.116 1.00 0.00 O ATOM 1250 CB LYS A 82 39.195 7.024 1.472 1.00 0.00 C ATOM 1251 CG LYS A 82 38.646 5.857 2.288 1.00 0.00 C ATOM 1252 CD LYS A 82 38.227 6.353 3.669 1.00 0.00 C ATOM 1253 CE LYS A 82 37.298 5.330 4.317 1.00 0.00 C ATOM 1254 NZ LYS A 82 36.516 5.941 5.402 1.00 0.00 N ATOM 0 H LYS A 82 36.795 7.376 1.306 1.00 0.00 H new ATOM 0 HA LYS A 82 38.883 7.915 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.269 6.907 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.045 7.960 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 82 37.793 5.411 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.403 5.079 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.107 6.508 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 82 37.723 7.316 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 82 36.624 4.918 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 82 37.884 4.499 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 35.892 5.225 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 37.161 6.312 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 35.941 6.719 5.020 1.00 0.00 H new ATOM 1268 N ASP A 83 39.011 5.944 -1.966 1.00 0.00 N ATOM 1269 CA ASP A 83 39.268 4.806 -2.826 1.00 0.00 C ATOM 1270 C ASP A 83 40.615 4.971 -3.512 1.00 0.00 C ATOM 1271 O ASP A 83 40.808 5.904 -4.287 1.00 0.00 O ATOM 1272 CB ASP A 83 38.147 4.684 -3.855 1.00 0.00 C ATOM 1273 CG ASP A 83 36.803 4.470 -3.173 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.718 3.508 -2.378 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.887 5.270 -3.460 1.00 0.00 O ATOM 0 H ASP A 83 39.059 6.847 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 83 39.297 3.894 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.109 5.586 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.354 3.852 -4.527 1.00 0.00 H new ATOM 1280 N ASP A 84 41.549 4.062 -3.225 1.00 0.00 N ATOM 1281 CA ASP A 84 42.872 4.113 -3.815 1.00 0.00 C ATOM 1282 C ASP A 84 42.907 3.265 -5.078 1.00 0.00 C ATOM 1283 O ASP A 84 42.521 2.098 -5.056 1.00 0.00 O ATOM 1284 CB ASP A 84 43.899 3.616 -2.801 1.00 0.00 C ATOM 1285 CG ASP A 84 45.126 4.518 -2.782 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.851 4.509 -3.799 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.313 5.197 -1.750 1.00 0.00 O ATOM 0 H ASP A 84 41.405 3.282 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 84 43.115 5.141 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.450 3.585 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.196 2.597 -3.048 1.00 0.00 H new ATOM 1292 N GLY A 85 43.368 3.854 -6.183 1.00 0.00 N ATOM 1293 CA GLY A 85 43.448 3.148 -7.446 1.00 0.00 C ATOM 1294 C GLY A 85 42.234 3.468 -8.306 1.00 0.00 C ATOM 1295 O GLY A 85 42.201 3.138 -9.490 1.00 0.00 O ATOM 0 H GLY A 85 43.690 4.821 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.360 3.431 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.503 2.074 -7.268 1.00 0.00 H new ATOM 1299 N GLY A 86 41.231 4.114 -7.706 1.00 0.00 N ATOM 1300 CA GLY A 86 40.023 4.473 -8.420 1.00 0.00 C ATOM 1301 C GLY A 86 39.007 5.084 -7.464 1.00 0.00 C ATOM 1302 O GLY A 86 39.218 5.098 -6.253 1.00 0.00 O ATOM 0 H GLY A 86 41.241 4.395 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.258 5.182 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.598 3.590 -8.897 1.00 0.00 H new ATOM 1306 N LEU A 87 37.901 5.592 -8.013 1.00 0.00 N ATOM 1307 CA LEU A 87 36.859 6.202 -7.211 1.00 0.00 C ATOM 1308 C LEU A 87 35.713 5.219 -7.019 1.00 0.00 C ATOM 1309 O LEU A 87 35.338 4.508 -7.950 1.00 0.00 O ATOM 1310 CB LEU A 87 36.370 7.475 -7.896 1.00 0.00 C ATOM 1311 CG LEU A 87 36.860 8.692 -7.117 1.00 0.00 C ATOM 1312 CD1 LEU A 87 38.354 8.551 -6.838 1.00 0.00 C ATOM 1313 CD2 LEU A 87 36.612 9.954 -7.937 1.00 0.00 C ATOM 0 H LEU A 87 37.711 5.589 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 87 37.256 6.462 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.738 7.514 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.281 7.477 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 87 36.320 8.760 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.704 9.420 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 87 38.531 7.649 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.895 8.482 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 87 36.962 10.824 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 87 37.152 9.886 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 35.545 10.055 -8.135 1.00 0.00 H new ATOM 1325 N MET A 88 35.156 5.180 -5.807 1.00 0.00 N ATOM 1326 CA MET A 88 34.059 4.284 -5.501 1.00 0.00 C ATOM 1327 C MET A 88 32.986 5.028 -4.719 1.00 0.00 C ATOM 1328 O MET A 88 33.234 5.502 -3.613 1.00 0.00 O ATOM 1329 CB MET A 88 34.583 3.095 -4.700 1.00 0.00 C ATOM 1330 CG MET A 88 35.961 2.698 -5.221 1.00 0.00 C ATOM 1331 SD MET A 88 36.771 1.406 -4.246 1.00 0.00 S ATOM 1332 CE MET A 88 37.889 0.748 -5.508 1.00 0.00 C ATOM 0 H MET A 88 35.454 5.763 -5.025 1.00 0.00 H new ATOM 0 HA MET A 88 33.617 3.917 -6.427 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.643 3.353 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.894 2.254 -4.784 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.864 2.355 -6.251 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.600 3.581 -5.238 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.476 -0.067 -5.085 1.00 0.00 H new ATOM 0 HE2 MET A 88 37.307 0.376 -6.351 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.558 1.538 -5.849 1.00 0.00 H new ATOM 1342 N PHE A 89 31.788 5.130 -5.300 1.00 0.00 N ATOM 1343 CA PHE A 89 30.685 5.813 -4.657 1.00 0.00 C ATOM 1344 C PHE A 89 29.593 4.813 -4.302 1.00 0.00 C ATOM 1345 O PHE A 89 29.203 3.994 -5.130 1.00 0.00 O ATOM 1346 CB PHE A 89 30.144 6.894 -5.590 1.00 0.00 C ATOM 1347 CG PHE A 89 31.054 8.093 -5.714 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.335 7.947 -6.260 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.619 9.350 -5.279 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.179 9.057 -6.374 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.463 10.461 -5.392 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.743 10.315 -5.940 1.00 0.00 C ATOM 0 H PHE A 89 31.566 4.744 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 89 31.032 6.284 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.986 6.464 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.170 7.223 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.672 6.977 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.632 9.463 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.166 8.944 -6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.127 11.431 -5.056 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.394 11.172 -6.028 1.00 0.00 H new ATOM 1362 N MET A 90 29.100 4.882 -3.062 1.00 0.00 N ATOM 1363 CA MET A 90 28.060 3.982 -2.605 1.00 0.00 C ATOM 1364 C MET A 90 26.874 4.783 -2.086 1.00 0.00 C ATOM 1365 O MET A 90 27.050 5.829 -1.466 1.00 0.00 O ATOM 1366 CB MET A 90 28.618 3.075 -1.512 1.00 0.00 C ATOM 1367 CG MET A 90 29.494 3.894 -0.569 1.00 0.00 C ATOM 1368 SD MET A 90 29.107 3.660 1.184 1.00 0.00 S ATOM 1369 CE MET A 90 28.583 1.928 1.135 1.00 0.00 C ATOM 0 H MET A 90 29.411 5.556 -2.362 1.00 0.00 H new ATOM 0 HA MET A 90 27.720 3.363 -3.435 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.802 2.612 -0.957 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.200 2.268 -1.957 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.538 3.630 -0.738 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.388 4.950 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.422 1.568 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.655 1.845 0.569 1.00 0.00 H new ATOM 0 HE3 MET A 90 29.356 1.328 0.655 1.00 0.00 H new ATOM 1379 N CYS A 91 25.662 4.287 -2.341 1.00 0.00 N ATOM 1380 CA CYS A 91 24.453 4.954 -1.901 1.00 0.00 C ATOM 1381 C CYS A 91 23.425 3.921 -1.461 1.00 0.00 C ATOM 1382 O CYS A 91 23.555 2.741 -1.779 1.00 0.00 O ATOM 1383 CB CYS A 91 23.905 5.814 -3.036 1.00 0.00 C ATOM 1384 SG CYS A 91 22.663 4.980 -4.056 1.00 0.00 S ATOM 0 H CYS A 91 25.500 3.420 -2.854 1.00 0.00 H new ATOM 0 HA CYS A 91 24.677 5.599 -1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.466 6.718 -2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.732 6.128 -3.673 1.00 0.00 H new ATOM 1389 N SER A 92 22.402 4.368 -0.729 1.00 0.00 N ATOM 1390 CA SER A 92 21.360 3.481 -0.253 1.00 0.00 C ATOM 1391 C SER A 92 20.034 4.226 -0.199 1.00 0.00 C ATOM 1392 O SER A 92 20.000 5.450 -0.305 1.00 0.00 O ATOM 1393 CB SER A 92 21.738 2.949 1.127 1.00 0.00 C ATOM 1394 OG SER A 92 22.655 3.830 1.735 1.00 0.00 O ATOM 0 H SER A 92 22.281 5.344 -0.457 1.00 0.00 H new ATOM 0 HA SER A 92 21.253 2.639 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.847 2.850 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.177 1.955 1.038 1.00 0.00 H new ATOM 0 HG SER A 92 22.168 4.488 2.274 1.00 0.00 H new ATOM 1400 N CYS A 93 18.938 3.480 -0.034 1.00 0.00 N ATOM 1401 CA CYS A 93 17.616 4.070 0.034 1.00 0.00 C ATOM 1402 C CYS A 93 16.561 2.973 0.001 1.00 0.00 C ATOM 1403 O CYS A 93 16.661 2.035 -0.788 1.00 0.00 O ATOM 1404 CB CYS A 93 17.429 5.036 -1.133 1.00 0.00 C ATOM 1405 SG CYS A 93 17.945 4.363 -2.733 1.00 0.00 S ATOM 0 H CYS A 93 18.950 2.464 0.054 1.00 0.00 H new ATOM 0 HA CYS A 93 17.508 4.624 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.378 5.321 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 93 17.995 5.946 -0.933 1.00 0.00 H new ATOM 1410 N THR A 94 15.547 3.092 0.861 1.00 0.00 N ATOM 1411 CA THR A 94 14.482 2.110 0.922 1.00 0.00 C ATOM 1412 C THR A 94 13.537 2.297 -0.256 1.00 0.00 C ATOM 1413 O THR A 94 12.631 1.493 -0.465 1.00 0.00 O ATOM 1414 CB THR A 94 13.734 2.255 2.244 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.755 3.262 2.122 1.00 0.00 O ATOM 1416 CG2 THR A 94 14.718 2.633 3.348 1.00 0.00 C ATOM 0 H THR A 94 15.448 3.862 1.522 1.00 0.00 H new ATOM 0 HA THR A 94 14.904 1.107 0.866 1.00 0.00 H new ATOM 0 HB THR A 94 13.254 1.309 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.273 3.354 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.183 2.737 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.475 1.854 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.199 3.578 3.098 1.00 0.00 H new ATOM 1424 N GLY A 95 13.750 3.364 -1.028 1.00 0.00 N ATOM 1425 CA GLY A 95 12.917 3.649 -2.180 1.00 0.00 C ATOM 1426 C GLY A 95 12.951 2.482 -3.157 1.00 0.00 C ATOM 1427 O GLY A 95 13.584 1.463 -2.893 1.00 0.00 O ATOM 0 H GLY A 95 14.496 4.042 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.892 3.834 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.265 4.556 -2.674 1.00 0.00 H new ATOM 1431 N GLU A 96 12.264 2.635 -4.292 1.00 0.00 N ATOM 1432 CA GLU A 96 12.218 1.596 -5.301 1.00 0.00 C ATOM 1433 C GLU A 96 13.261 1.870 -6.375 1.00 0.00 C ATOM 1434 O GLU A 96 13.213 2.899 -7.045 1.00 0.00 O ATOM 1435 CB GLU A 96 10.820 1.538 -5.908 1.00 0.00 C ATOM 1436 CG GLU A 96 10.449 0.086 -6.194 1.00 0.00 C ATOM 1437 CD GLU A 96 9.317 0.005 -7.209 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.246 0.577 -6.911 1.00 0.00 O ATOM 1439 OE2 GLU A 96 9.544 -0.628 -8.262 1.00 0.00 O ATOM 0 H GLU A 96 11.734 3.474 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 96 12.442 0.632 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.096 1.981 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.787 2.121 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.321 -0.449 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.149 -0.406 -5.269 1.00 0.00 H new ATOM 1446 N GLU A 97 14.209 0.942 -6.538 1.00 0.00 N ATOM 1447 CA GLU A 97 15.256 1.088 -7.529 1.00 0.00 C ATOM 1448 C GLU A 97 16.017 2.384 -7.293 1.00 0.00 C ATOM 1449 O GLU A 97 17.019 2.649 -7.954 1.00 0.00 O ATOM 1450 CB GLU A 97 14.638 1.071 -8.925 1.00 0.00 C ATOM 1451 CG GLU A 97 14.150 -0.338 -9.247 1.00 0.00 C ATOM 1452 CD GLU A 97 12.805 -0.298 -9.958 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.761 0.295 -11.057 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.846 -0.862 -9.389 1.00 0.00 O ATOM 0 H GLU A 97 14.265 0.083 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 97 15.959 0.259 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.808 1.776 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.373 1.391 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.882 -0.846 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.062 -0.916 -8.327 1.00 0.00 H new ATOM 1461 N CYS A 98 15.540 3.193 -6.345 1.00 0.00 N ATOM 1462 CA CYS A 98 16.176 4.455 -6.024 1.00 0.00 C ATOM 1463 C CYS A 98 17.686 4.275 -5.983 1.00 0.00 C ATOM 1464 O CYS A 98 18.432 5.190 -6.325 1.00 0.00 O ATOM 1465 CB CYS A 98 15.654 4.959 -4.680 1.00 0.00 C ATOM 1466 SG CYS A 98 16.854 5.943 -3.750 1.00 0.00 S ATOM 0 H CYS A 98 14.710 2.988 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 98 15.939 5.192 -6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.761 5.560 -4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 98 15.353 4.104 -4.075 1.00 0.00 H new ATOM 1471 N ASN A 99 18.137 3.090 -5.564 1.00 0.00 N ATOM 1472 CA ASN A 99 19.553 2.799 -5.483 1.00 0.00 C ATOM 1473 C ASN A 99 20.144 2.697 -6.882 1.00 0.00 C ATOM 1474 O ASN A 99 21.183 3.288 -7.165 1.00 0.00 O ATOM 1475 CB ASN A 99 19.760 1.496 -4.714 1.00 0.00 C ATOM 1476 CG ASN A 99 19.115 0.326 -5.445 1.00 0.00 C ATOM 1477 OD1 ASN A 99 17.994 0.440 -5.934 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.830 -0.799 -5.520 1.00 0.00 N ATOM 0 H ASN A 99 17.532 2.320 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 99 20.062 3.605 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.826 1.308 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.333 1.586 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.449 -1.614 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.757 -0.843 -5.097 1.00 0.00 H new ATOM 1485 N ASP A 100 19.476 1.944 -7.758 1.00 0.00 N ATOM 1486 CA ASP A 100 19.935 1.768 -9.122 1.00 0.00 C ATOM 1487 C ASP A 100 20.393 3.104 -9.687 1.00 0.00 C ATOM 1488 O ASP A 100 21.234 3.146 -10.583 1.00 0.00 O ATOM 1489 CB ASP A 100 18.808 1.181 -9.965 1.00 0.00 C ATOM 1490 CG ASP A 100 18.157 2.254 -10.826 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.816 2.676 -11.802 1.00 0.00 O ATOM 1492 OD2 ASP A 100 17.014 2.633 -10.494 1.00 0.00 O ATOM 0 H ASP A 100 18.613 1.448 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 100 20.780 1.080 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.200 0.387 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.060 0.728 -9.314 1.00 0.00 H new ATOM 1497 N VAL A 101 19.837 4.199 -9.162 1.00 0.00 N ATOM 1498 CA VAL A 101 20.191 5.529 -9.617 1.00 0.00 C ATOM 1499 C VAL A 101 21.175 6.161 -8.643 1.00 0.00 C ATOM 1500 O VAL A 101 20.831 6.432 -7.496 1.00 0.00 O ATOM 1501 CB VAL A 101 18.927 6.377 -9.734 1.00 0.00 C ATOM 1502 CG1 VAL A 101 19.050 7.309 -10.936 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.718 5.465 -9.919 1.00 0.00 C ATOM 0 H VAL A 101 19.138 4.181 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 101 20.666 5.470 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 101 18.800 6.968 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 101 18.148 7.915 -11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.914 7.961 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 101 19.176 6.718 -11.843 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.815 6.070 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.844 4.874 -10.826 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.630 4.799 -9.061 1.00 0.00 H new ATOM 1513 N LEU A 102 22.406 6.394 -9.106 1.00 0.00 N ATOM 1514 CA LEU A 102 23.434 6.993 -8.277 1.00 0.00 C ATOM 1515 C LEU A 102 23.658 8.439 -8.695 1.00 0.00 C ATOM 1516 O LEU A 102 24.191 8.702 -9.770 1.00 0.00 O ATOM 1517 CB LEU A 102 24.724 6.187 -8.408 1.00 0.00 C ATOM 1518 CG LEU A 102 24.441 4.892 -9.164 1.00 0.00 C ATOM 1519 CD1 LEU A 102 23.308 4.137 -8.474 1.00 0.00 C ATOM 1520 CD2 LEU A 102 24.035 5.219 -10.598 1.00 0.00 C ATOM 0 H LEU A 102 22.707 6.173 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 102 23.117 6.983 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.478 6.771 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.127 5.963 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 102 25.338 4.273 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.106 3.212 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 23.597 3.903 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.411 4.756 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.833 4.294 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 102 23.138 5.838 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 102 24.844 5.758 -11.091 1.00 0.00 H new ATOM 1532 N ILE A 103 23.248 9.378 -7.839 1.00 0.00 N ATOM 1533 CA ILE A 103 23.405 10.791 -8.120 1.00 0.00 C ATOM 1534 C ILE A 103 24.802 11.243 -7.715 1.00 0.00 C ATOM 1535 O ILE A 103 25.209 11.058 -6.571 1.00 0.00 O ATOM 1536 CB ILE A 103 22.340 11.581 -7.363 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.047 11.598 -8.173 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.825 13.012 -7.149 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.893 11.118 -7.299 1.00 0.00 C ATOM 0 H ILE A 103 22.804 9.175 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 103 23.281 10.971 -9.188 1.00 0.00 H new ATOM 0 HB ILE A 103 22.157 11.111 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.847 12.606 -8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.145 10.956 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.065 13.577 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.749 13.000 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.008 13.482 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.969 11.130 -7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.094 10.103 -6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.790 11.778 -6.437 1.00 0.00 H new ATOM 1551 N PHE A 104 25.534 11.839 -8.659 1.00 0.00 N ATOM 1552 CA PHE A 104 26.877 12.314 -8.395 1.00 0.00 C ATOM 1553 C PHE A 104 26.893 13.836 -8.374 1.00 0.00 C ATOM 1554 O PHE A 104 26.646 14.477 -9.393 1.00 0.00 O ATOM 1555 CB PHE A 104 27.824 11.777 -9.466 1.00 0.00 C ATOM 1556 CG PHE A 104 27.839 10.270 -9.558 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.747 9.593 -10.113 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.945 9.551 -9.090 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.762 8.195 -10.200 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.960 8.155 -9.177 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.868 7.477 -9.732 1.00 0.00 C ATOM 0 H PHE A 104 25.210 12.000 -9.613 1.00 0.00 H new ATOM 0 HA PHE A 104 27.209 11.955 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.536 12.189 -10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.834 12.130 -9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.894 10.148 -10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.787 10.074 -8.662 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.920 7.671 -10.628 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.814 7.600 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.879 6.399 -9.799 1.00 0.00 H new ATOM 1571 N SER A 105 27.186 14.414 -7.207 1.00 0.00 N ATOM 1572 CA SER A 105 27.235 15.855 -7.059 1.00 0.00 C ATOM 1573 C SER A 105 28.486 16.254 -6.290 1.00 0.00 C ATOM 1574 O SER A 105 28.722 15.767 -5.187 1.00 0.00 O ATOM 1575 CB SER A 105 25.979 16.334 -6.336 1.00 0.00 C ATOM 1576 OG SER A 105 26.148 16.171 -4.945 1.00 0.00 O ATOM 0 H SER A 105 27.392 13.897 -6.353 1.00 0.00 H new ATOM 0 HA SER A 105 27.274 16.324 -8.042 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.788 17.381 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.112 15.768 -6.677 1.00 0.00 H new ATOM 0 HG SER A 105 26.960 15.650 -4.773 1.00 0.00 H new ATOM 1582 N ALA A 106 29.288 17.147 -6.876 1.00 0.00 N ATOM 1583 CA ALA A 106 30.509 17.607 -6.245 1.00 0.00 C ATOM 1584 C ALA A 106 30.196 18.754 -5.295 1.00 0.00 C ATOM 1585 O ALA A 106 30.264 18.591 -4.078 1.00 0.00 O ATOM 1586 CB ALA A 106 31.499 18.048 -7.319 1.00 0.00 C ATOM 0 H ALA A 106 29.105 17.562 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 106 30.955 16.796 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.418 18.394 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.723 17.207 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.064 18.858 -7.904 1.00 0.00 H new