USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 696 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 38 TYR OH : rot -163:sc= 0.467 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 140:sc= -0.125 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -18:sc= 1.39 USER MOD Single : A 19 GLN : amide:sc= -0.105 K(o=-0.1,f=-0.93) USER MOD Single : A 20 MET CE :methyl -123:sc= -1.97! (180deg=-6.25!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= -0.872 K(o=-0.87,f=-0.22) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= -2.54 X(o=-2.5,f=-2.9) USER MOD Single : A 67 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.36) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -132:sc= -1.47 (180deg=-2.48!) USER MOD Single : A 78 MET CE :methyl -152:sc= -0.708 (180deg=-2.56!) USER MOD Single : A 79 GLN : amide:sc= -0.0837 K(o=-0.084,f=-0.94) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 89 SER OG : rot 46:sc= 1.27 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.916 -22.473 -6.758 1.00 0.00 N ATOM 2 CA GLY A 1 -11.947 -21.661 -6.137 1.00 0.00 C ATOM 3 C GLY A 1 -13.276 -21.760 -6.858 1.00 0.00 C ATOM 4 O GLY A 1 -13.909 -20.744 -7.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.027 -22.371 -6.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.210 -23.471 -6.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.772 -22.160 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.075 -21.973 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.624 -20.620 -6.119 1.00 0.00 H new ATOM 8 N SER A 2 -13.701 -22.986 -7.148 1.00 0.00 N ATOM 9 CA SER A 2 -14.961 -23.212 -7.845 1.00 0.00 C ATOM 10 C SER A 2 -16.126 -22.599 -7.074 1.00 0.00 C ATOM 11 O SER A 2 -16.912 -21.828 -7.627 1.00 0.00 O ATOM 12 CB SER A 2 -15.198 -24.713 -8.039 1.00 0.00 C ATOM 13 OG SER A 2 -16.205 -24.948 -9.008 1.00 0.00 O ATOM 0 H SER A 2 -13.191 -23.837 -6.911 1.00 0.00 H new ATOM 0 HA SER A 2 -14.900 -22.730 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.270 -25.194 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.489 -25.164 -7.090 1.00 0.00 H new ATOM 0 HG SER A 2 -16.337 -25.913 -9.115 1.00 0.00 H new ATOM 19 N SER A 3 -16.231 -22.946 -5.796 1.00 0.00 N ATOM 20 CA SER A 3 -17.301 -22.432 -4.949 1.00 0.00 C ATOM 21 C SER A 3 -17.434 -20.920 -5.099 1.00 0.00 C ATOM 22 O SER A 3 -18.525 -20.402 -5.338 1.00 0.00 O ATOM 23 CB SER A 3 -17.040 -22.790 -3.485 1.00 0.00 C ATOM 24 OG SER A 3 -17.355 -24.147 -3.227 1.00 0.00 O ATOM 0 H SER A 3 -15.588 -23.581 -5.324 1.00 0.00 H new ATOM 0 HA SER A 3 -18.235 -22.895 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.994 -22.604 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.636 -22.146 -2.838 1.00 0.00 H new ATOM 0 HG SER A 3 -17.178 -24.351 -2.285 1.00 0.00 H new ATOM 30 N GLY A 4 -16.315 -20.217 -4.957 1.00 0.00 N ATOM 31 CA GLY A 4 -16.326 -18.770 -5.079 1.00 0.00 C ATOM 32 C GLY A 4 -15.002 -18.145 -4.689 1.00 0.00 C ATOM 33 O GLY A 4 -14.164 -17.866 -5.545 1.00 0.00 O ATOM 0 H GLY A 4 -15.400 -20.623 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.564 -18.497 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.116 -18.361 -4.449 1.00 0.00 H new ATOM 37 N SER A 5 -14.813 -17.922 -3.392 1.00 0.00 N ATOM 38 CA SER A 5 -13.584 -17.320 -2.890 1.00 0.00 C ATOM 39 C SER A 5 -12.373 -17.842 -3.655 1.00 0.00 C ATOM 40 O SER A 5 -12.366 -18.979 -4.130 1.00 0.00 O ATOM 41 CB SER A 5 -13.422 -17.609 -1.396 1.00 0.00 C ATOM 42 OG SER A 5 -14.418 -16.947 -0.638 1.00 0.00 O ATOM 0 H SER A 5 -15.496 -18.150 -2.670 1.00 0.00 H new ATOM 0 HA SER A 5 -13.649 -16.242 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.482 -18.683 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.435 -17.287 -1.065 1.00 0.00 H new ATOM 0 HG SER A 5 -14.732 -17.539 0.078 1.00 0.00 H new ATOM 48 N SER A 6 -11.346 -17.005 -3.771 1.00 0.00 N ATOM 49 CA SER A 6 -10.129 -17.379 -4.481 1.00 0.00 C ATOM 50 C SER A 6 -9.039 -17.804 -3.503 1.00 0.00 C ATOM 51 O SER A 6 -8.058 -18.441 -3.887 1.00 0.00 O ATOM 52 CB SER A 6 -9.635 -16.213 -5.339 1.00 0.00 C ATOM 53 OG SER A 6 -8.920 -16.679 -6.470 1.00 0.00 O ATOM 0 H SER A 6 -11.333 -16.062 -3.382 1.00 0.00 H new ATOM 0 HA SER A 6 -10.361 -18.224 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.484 -15.611 -5.664 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.994 -15.564 -4.742 1.00 0.00 H new ATOM 0 HG SER A 6 -8.616 -15.915 -7.003 1.00 0.00 H new ATOM 59 N GLY A 7 -9.216 -17.446 -2.235 1.00 0.00 N ATOM 60 CA GLY A 7 -8.240 -17.796 -1.221 1.00 0.00 C ATOM 61 C GLY A 7 -7.109 -16.792 -1.132 1.00 0.00 C ATOM 62 O GLY A 7 -6.544 -16.390 -2.151 1.00 0.00 O ATOM 0 H GLY A 7 -10.019 -16.919 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.736 -17.866 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.830 -18.782 -1.441 1.00 0.00 H new ATOM 66 N CYS A 8 -6.776 -16.383 0.088 1.00 0.00 N ATOM 67 CA CYS A 8 -5.707 -15.417 0.307 1.00 0.00 C ATOM 68 C CYS A 8 -4.368 -16.123 0.499 1.00 0.00 C ATOM 69 O CYS A 8 -4.316 -17.337 0.704 1.00 0.00 O ATOM 70 CB CYS A 8 -6.018 -14.548 1.526 1.00 0.00 C ATOM 71 SG CYS A 8 -4.997 -13.044 1.648 1.00 0.00 S ATOM 0 H CYS A 8 -7.232 -16.707 0.941 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.639 -14.781 -0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.069 -14.259 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.878 -15.143 2.428 1.00 0.00 H new ATOM 76 N LYS A 9 -3.286 -15.355 0.435 1.00 0.00 N ATOM 77 CA LYS A 9 -1.945 -15.904 0.604 1.00 0.00 C ATOM 78 C LYS A 9 -1.391 -15.569 1.984 1.00 0.00 C ATOM 79 O LYS A 9 -0.697 -16.380 2.599 1.00 0.00 O ATOM 80 CB LYS A 9 -1.010 -15.362 -0.479 1.00 0.00 C ATOM 81 CG LYS A 9 -1.340 -15.862 -1.874 1.00 0.00 C ATOM 82 CD LYS A 9 -0.448 -15.217 -2.923 1.00 0.00 C ATOM 83 CE LYS A 9 -1.047 -15.341 -4.316 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.760 -16.667 -4.928 1.00 0.00 N ATOM 0 H LYS A 9 -3.311 -14.349 0.267 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.008 -16.988 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.054 -14.273 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.015 -15.641 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.222 -16.945 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.384 -15.647 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.302 -14.164 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.535 -15.687 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.125 -15.192 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.648 -14.553 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.185 -16.711 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.269 -16.799 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.163 -17.419 -4.333 1.00 0.00 H new ATOM 98 N LEU A 10 -1.701 -14.371 2.467 1.00 0.00 N ATOM 99 CA LEU A 10 -1.234 -13.929 3.777 1.00 0.00 C ATOM 100 C LEU A 10 -2.069 -14.553 4.891 1.00 0.00 C ATOM 101 O LEU A 10 -1.608 -15.449 5.600 1.00 0.00 O ATOM 102 CB LEU A 10 -1.293 -12.404 3.874 1.00 0.00 C ATOM 103 CG LEU A 10 -0.444 -11.634 2.860 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.955 -10.210 2.709 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.019 -11.638 3.278 1.00 0.00 C ATOM 0 H LEU A 10 -2.274 -13.688 1.971 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.201 -14.255 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.331 -12.092 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.981 -12.111 4.876 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.525 -12.131 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.339 -9.677 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.988 -10.229 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.904 -9.701 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.608 -11.086 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.120 -11.165 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.379 -12.665 3.333 1.00 0.00 H new ATOM 117 N CYS A 11 -3.300 -14.075 5.039 1.00 0.00 N ATOM 118 CA CYS A 11 -4.201 -14.586 6.066 1.00 0.00 C ATOM 119 C CYS A 11 -4.701 -15.982 5.704 1.00 0.00 C ATOM 120 O CYS A 11 -5.229 -16.703 6.552 1.00 0.00 O ATOM 121 CB CYS A 11 -5.387 -13.638 6.249 1.00 0.00 C ATOM 122 SG CYS A 11 -6.613 -13.711 4.903 1.00 0.00 S ATOM 0 H CYS A 11 -3.697 -13.334 4.461 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.648 -14.649 7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.883 -13.872 7.191 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.013 -12.617 6.330 1.00 0.00 H new ATOM 127 N LEU A 12 -4.531 -16.356 4.441 1.00 0.00 N ATOM 128 CA LEU A 12 -4.965 -17.666 3.966 1.00 0.00 C ATOM 129 C LEU A 12 -6.430 -17.911 4.309 1.00 0.00 C ATOM 130 O LEU A 12 -6.798 -18.988 4.776 1.00 0.00 O ATOM 131 CB LEU A 12 -4.095 -18.765 4.578 1.00 0.00 C ATOM 132 CG LEU A 12 -2.653 -18.837 4.076 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.809 -19.701 5.000 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.609 -19.375 2.653 1.00 0.00 C ATOM 0 H LEU A 12 -4.096 -15.771 3.727 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.857 -17.687 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.076 -18.626 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.573 -19.726 4.389 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.239 -17.829 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.786 -19.741 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.813 -19.273 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.222 -20.709 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.574 -19.419 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.042 -20.375 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.179 -18.717 1.997 1.00 0.00 H new ATOM 146 N GLY A 13 -7.266 -16.904 4.072 1.00 0.00 N ATOM 147 CA GLY A 13 -8.682 -17.031 4.359 1.00 0.00 C ATOM 148 C GLY A 13 -9.509 -17.265 3.110 1.00 0.00 C ATOM 149 O GLY A 13 -8.980 -17.668 2.075 1.00 0.00 O ATOM 0 H GLY A 13 -6.987 -16.002 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.836 -17.857 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.031 -16.127 4.858 1.00 0.00 H new ATOM 153 N GLU A 14 -10.810 -17.011 3.208 1.00 0.00 N ATOM 154 CA GLU A 14 -11.711 -17.199 2.077 1.00 0.00 C ATOM 155 C GLU A 14 -12.695 -16.037 1.966 1.00 0.00 C ATOM 156 O GLU A 14 -13.611 -15.907 2.777 1.00 0.00 O ATOM 157 CB GLU A 14 -12.475 -18.517 2.218 1.00 0.00 C ATOM 158 CG GLU A 14 -11.689 -19.730 1.749 1.00 0.00 C ATOM 159 CD GLU A 14 -11.909 -20.036 0.280 1.00 0.00 C ATOM 160 OE1 GLU A 14 -12.850 -20.795 -0.034 1.00 0.00 O ATOM 161 OE2 GLU A 14 -11.142 -19.515 -0.555 1.00 0.00 O ATOM 0 H GLU A 14 -11.263 -16.675 4.058 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.110 -17.232 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.752 -18.656 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.402 -18.453 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.627 -19.560 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.977 -20.597 2.344 1.00 0.00 H new ATOM 168 N TYR A 15 -12.497 -15.197 0.957 1.00 0.00 N ATOM 169 CA TYR A 15 -13.364 -14.045 0.741 1.00 0.00 C ATOM 170 C TYR A 15 -13.868 -14.005 -0.698 1.00 0.00 C ATOM 171 O TYR A 15 -13.221 -14.494 -1.624 1.00 0.00 O ATOM 172 CB TYR A 15 -12.618 -12.750 1.068 1.00 0.00 C ATOM 173 CG TYR A 15 -11.755 -12.845 2.305 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.483 -13.402 2.249 1.00 0.00 C ATOM 175 CD2 TYR A 15 -12.211 -12.378 3.532 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.691 -13.492 3.376 1.00 0.00 C ATOM 177 CE2 TYR A 15 -11.426 -12.462 4.665 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.166 -13.020 4.583 1.00 0.00 C ATOM 179 OH TYR A 15 -9.382 -13.107 5.709 1.00 0.00 O ATOM 0 H TYR A 15 -11.744 -15.292 0.276 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.223 -14.139 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.992 -12.477 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.343 -11.947 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.107 -13.771 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.197 -11.942 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.705 -13.929 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.796 -12.093 5.610 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.670 -13.764 5.562 1.00 0.00 H new ATOM 189 N PRO A 16 -15.052 -13.406 -0.893 1.00 0.00 N ATOM 190 CA PRO A 16 -15.672 -13.286 -2.217 1.00 0.00 C ATOM 191 C PRO A 16 -14.922 -12.313 -3.120 1.00 0.00 C ATOM 192 O PRO A 16 -14.748 -11.143 -2.781 1.00 0.00 O ATOM 193 CB PRO A 16 -17.073 -12.755 -1.907 1.00 0.00 C ATOM 194 CG PRO A 16 -16.930 -12.047 -0.604 1.00 0.00 C ATOM 195 CD PRO A 16 -15.879 -12.801 0.164 1.00 0.00 C ATOM 0 HA PRO A 16 -15.671 -14.234 -2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.422 -12.080 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.798 -13.566 -1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.634 -11.009 -0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.875 -12.033 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.294 -12.138 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.321 -13.558 0.812 1.00 0.00 H new ATOM 203 N VAL A 17 -14.478 -12.805 -4.273 1.00 0.00 N ATOM 204 CA VAL A 17 -13.747 -11.979 -5.227 1.00 0.00 C ATOM 205 C VAL A 17 -14.282 -10.552 -5.240 1.00 0.00 C ATOM 206 O VAL A 17 -13.517 -9.592 -5.313 1.00 0.00 O ATOM 207 CB VAL A 17 -13.830 -12.560 -6.651 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.207 -13.946 -6.699 1.00 0.00 C ATOM 209 CG2 VAL A 17 -15.274 -12.597 -7.128 1.00 0.00 C ATOM 0 H VAL A 17 -14.612 -13.772 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.705 -11.971 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.267 -11.912 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.275 -14.341 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.160 -13.885 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.739 -14.608 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.314 -13.010 -8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.863 -13.221 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.681 -11.586 -7.134 1.00 0.00 H new ATOM 219 N GLU A 18 -15.604 -10.421 -5.169 1.00 0.00 N ATOM 220 CA GLU A 18 -16.242 -9.108 -5.173 1.00 0.00 C ATOM 221 C GLU A 18 -15.558 -8.168 -4.185 1.00 0.00 C ATOM 222 O GLU A 18 -15.202 -7.041 -4.531 1.00 0.00 O ATOM 223 CB GLU A 18 -17.726 -9.238 -4.826 1.00 0.00 C ATOM 224 CG GLU A 18 -18.579 -8.104 -5.369 1.00 0.00 C ATOM 225 CD GLU A 18 -18.806 -8.208 -6.864 1.00 0.00 C ATOM 226 OE1 GLU A 18 -17.830 -8.052 -7.625 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.962 -8.447 -7.273 1.00 0.00 O ATOM 0 H GLU A 18 -16.253 -11.206 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.145 -8.688 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.101 -10.183 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.835 -9.277 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.542 -8.102 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.097 -7.152 -5.144 1.00 0.00 H new ATOM 234 N GLN A 19 -15.378 -8.639 -2.956 1.00 0.00 N ATOM 235 CA GLN A 19 -14.738 -7.839 -1.918 1.00 0.00 C ATOM 236 C GLN A 19 -13.234 -7.749 -2.150 1.00 0.00 C ATOM 237 O GLN A 19 -12.631 -6.691 -1.973 1.00 0.00 O ATOM 238 CB GLN A 19 -15.018 -8.438 -0.538 1.00 0.00 C ATOM 239 CG GLN A 19 -16.473 -8.329 -0.111 1.00 0.00 C ATOM 240 CD GLN A 19 -16.754 -9.048 1.192 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.835 -9.500 1.877 1.00 0.00 O ATOM 242 NE2 GLN A 19 -18.030 -9.159 1.546 1.00 0.00 N ATOM 0 H GLN A 19 -15.666 -9.570 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.155 -6.833 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.727 -9.488 -0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.393 -7.936 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.739 -7.277 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.109 -8.742 -0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.760 -8.770 0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.279 -9.633 2.414 1.00 0.00 H new ATOM 251 N MET A 20 -12.633 -8.867 -2.548 1.00 0.00 N ATOM 252 CA MET A 20 -11.198 -8.912 -2.806 1.00 0.00 C ATOM 253 C MET A 20 -10.796 -7.861 -3.835 1.00 0.00 C ATOM 254 O MET A 20 -11.649 -7.255 -4.483 1.00 0.00 O ATOM 255 CB MET A 20 -10.791 -10.304 -3.294 1.00 0.00 C ATOM 256 CG MET A 20 -11.157 -11.419 -2.328 1.00 0.00 C ATOM 257 SD MET A 20 -9.848 -11.765 -1.138 1.00 0.00 S ATOM 258 CE MET A 20 -8.764 -12.800 -2.118 1.00 0.00 C ATOM 0 H MET A 20 -13.117 -9.752 -2.698 1.00 0.00 H new ATOM 0 HA MET A 20 -10.679 -8.695 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.268 -10.497 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.714 -10.320 -3.463 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.067 -11.146 -1.793 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.378 -12.325 -2.892 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.622 -13.757 -1.616 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.209 -12.968 -3.099 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.799 -12.306 -2.237 1.00 0.00 H new ATOM 268 N THR A 21 -9.493 -7.650 -3.981 1.00 0.00 N ATOM 269 CA THR A 21 -8.978 -6.671 -4.930 1.00 0.00 C ATOM 270 C THR A 21 -7.913 -7.286 -5.831 1.00 0.00 C ATOM 271 O THR A 21 -6.846 -7.685 -5.365 1.00 0.00 O ATOM 272 CB THR A 21 -8.381 -5.449 -4.209 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.356 -4.871 -3.335 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.909 -4.405 -5.211 1.00 0.00 C ATOM 0 H THR A 21 -8.773 -8.144 -3.454 1.00 0.00 H new ATOM 0 HA THR A 21 -9.822 -6.347 -5.539 1.00 0.00 H new ATOM 0 HB THR A 21 -7.523 -5.783 -3.626 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.968 -4.095 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.491 -3.551 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.145 -4.839 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.752 -4.076 -5.818 1.00 0.00 H new ATOM 282 N THR A 22 -8.209 -7.358 -7.125 1.00 0.00 N ATOM 283 CA THR A 22 -7.276 -7.925 -8.091 1.00 0.00 C ATOM 284 C THR A 22 -6.305 -6.869 -8.603 1.00 0.00 C ATOM 285 O THR A 22 -6.719 -5.818 -9.095 1.00 0.00 O ATOM 286 CB THR A 22 -8.018 -8.548 -9.289 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.878 -9.601 -8.839 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.033 -9.093 -10.313 1.00 0.00 C ATOM 0 H THR A 22 -9.087 -7.031 -7.528 1.00 0.00 H new ATOM 0 HA THR A 22 -6.719 -8.705 -7.572 1.00 0.00 H new ATOM 0 HB THR A 22 -8.615 -7.769 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.347 -9.991 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.581 -9.528 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.400 -8.283 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.412 -9.859 -9.849 1.00 0.00 H new ATOM 296 N ILE A 23 -5.013 -7.152 -8.487 1.00 0.00 N ATOM 297 CA ILE A 23 -3.983 -6.226 -8.939 1.00 0.00 C ATOM 298 C ILE A 23 -3.833 -6.271 -10.457 1.00 0.00 C ATOM 299 O ILE A 23 -3.647 -7.337 -11.041 1.00 0.00 O ATOM 300 CB ILE A 23 -2.621 -6.535 -8.291 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.757 -6.581 -6.767 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.589 -5.498 -8.705 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.558 -7.188 -6.072 1.00 0.00 C ATOM 0 H ILE A 23 -4.654 -8.017 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.301 -5.229 -8.635 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.283 -7.512 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.910 -5.569 -6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.647 -7.154 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.632 -5.731 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.477 -5.509 -9.789 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.918 -4.509 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.724 -7.188 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.417 -8.212 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.669 -6.602 -6.302 1.00 0.00 H new ATOM 315 N ALA A 24 -3.911 -5.104 -11.089 1.00 0.00 N ATOM 316 CA ALA A 24 -3.780 -5.009 -12.537 1.00 0.00 C ATOM 317 C ALA A 24 -2.315 -4.935 -12.952 1.00 0.00 C ATOM 318 O ALA A 24 -1.989 -4.428 -14.025 1.00 0.00 O ATOM 319 CB ALA A 24 -4.539 -3.798 -13.057 1.00 0.00 C ATOM 0 H ALA A 24 -4.064 -4.211 -10.620 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.210 -5.910 -12.976 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.432 -3.739 -14.140 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.594 -3.892 -12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.135 -2.893 -12.603 1.00 0.00 H new ATOM 325 N GLN A 25 -1.434 -5.441 -12.093 1.00 0.00 N ATOM 326 CA GLN A 25 -0.003 -5.430 -12.371 1.00 0.00 C ATOM 327 C GLN A 25 0.545 -6.850 -12.460 1.00 0.00 C ATOM 328 O GLN A 25 1.284 -7.185 -13.386 1.00 0.00 O ATOM 329 CB GLN A 25 0.742 -4.650 -11.287 1.00 0.00 C ATOM 330 CG GLN A 25 0.895 -3.170 -11.598 1.00 0.00 C ATOM 331 CD GLN A 25 1.944 -2.903 -12.661 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.668 -3.808 -13.076 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.030 -1.655 -13.107 1.00 0.00 N ATOM 0 H GLN A 25 -1.687 -5.863 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 25 0.151 -4.940 -13.332 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.211 -4.761 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.731 -5.088 -11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.063 -2.771 -11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.163 -2.637 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.409 -0.936 -12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.717 -1.415 -13.822 1.00 0.00 H new ATOM 342 N CYS A 26 0.178 -7.682 -11.491 1.00 0.00 N ATOM 343 CA CYS A 26 0.633 -9.067 -11.459 1.00 0.00 C ATOM 344 C CYS A 26 -0.538 -10.020 -11.244 1.00 0.00 C ATOM 345 O CYS A 26 -0.390 -11.071 -10.621 1.00 0.00 O ATOM 346 CB CYS A 26 1.670 -9.259 -10.350 1.00 0.00 C ATOM 347 SG CYS A 26 1.097 -8.746 -8.699 1.00 0.00 S ATOM 0 H CYS A 26 -0.433 -7.421 -10.717 1.00 0.00 H new ATOM 0 HA CYS A 26 1.092 -9.294 -12.421 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.956 -10.310 -10.313 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.566 -8.693 -10.604 1.00 0.00 H new ATOM 352 N GLN A 27 -1.702 -9.645 -11.766 1.00 0.00 N ATOM 353 CA GLN A 27 -2.900 -10.466 -11.632 1.00 0.00 C ATOM 354 C GLN A 27 -2.918 -11.185 -10.285 1.00 0.00 C ATOM 355 O GLN A 27 -3.169 -12.389 -10.216 1.00 0.00 O ATOM 356 CB GLN A 27 -2.974 -11.486 -12.769 1.00 0.00 C ATOM 357 CG GLN A 27 -3.375 -10.880 -14.104 1.00 0.00 C ATOM 358 CD GLN A 27 -4.838 -10.488 -14.152 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.676 -11.233 -14.661 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.153 -9.312 -13.620 1.00 0.00 N ATOM 0 H GLN A 27 -1.841 -8.778 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.769 -9.810 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.003 -11.970 -12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.690 -12.264 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.761 -10.001 -14.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.168 -11.595 -14.900 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.426 -8.727 -13.209 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.122 -8.994 -13.623 1.00 0.00 H new ATOM 369 N CYS A 28 -2.651 -10.440 -9.218 1.00 0.00 N ATOM 370 CA CYS A 28 -2.636 -11.005 -7.875 1.00 0.00 C ATOM 371 C CYS A 28 -3.811 -10.485 -7.053 1.00 0.00 C ATOM 372 O CYS A 28 -4.053 -9.278 -6.992 1.00 0.00 O ATOM 373 CB CYS A 28 -1.319 -10.668 -7.173 1.00 0.00 C ATOM 374 SG CYS A 28 0.105 -11.642 -7.757 1.00 0.00 S ATOM 0 H CYS A 28 -2.442 -9.442 -9.258 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.727 -12.088 -7.962 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.104 -9.609 -7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.440 -10.827 -6.101 1.00 0.00 H new ATOM 379 N ILE A 29 -4.538 -11.401 -6.424 1.00 0.00 N ATOM 380 CA ILE A 29 -5.687 -11.035 -5.604 1.00 0.00 C ATOM 381 C ILE A 29 -5.343 -11.087 -4.121 1.00 0.00 C ATOM 382 O ILE A 29 -4.590 -11.955 -3.676 1.00 0.00 O ATOM 383 CB ILE A 29 -6.888 -11.960 -5.874 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.154 -11.389 -5.232 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.607 -13.360 -5.350 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.433 -11.896 -5.860 1.00 0.00 C ATOM 0 H ILE A 29 -4.352 -12.403 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.956 -10.014 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.045 -12.021 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.157 -11.637 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.130 -10.302 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.465 -14.002 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.727 -13.766 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.427 -13.317 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.289 -11.449 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.453 -11.624 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.481 -12.981 -5.764 1.00 0.00 H new ATOM 398 N PHE A 30 -5.900 -10.154 -3.355 1.00 0.00 N ATOM 399 CA PHE A 30 -5.653 -10.094 -1.919 1.00 0.00 C ATOM 400 C PHE A 30 -6.826 -9.443 -1.193 1.00 0.00 C ATOM 401 O PHE A 30 -7.330 -8.400 -1.611 1.00 0.00 O ATOM 402 CB PHE A 30 -4.366 -9.315 -1.634 1.00 0.00 C ATOM 403 CG PHE A 30 -3.132 -9.978 -2.175 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.635 -11.129 -1.586 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.469 -9.450 -3.270 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.499 -11.743 -2.081 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.333 -10.059 -3.769 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.847 -11.206 -3.173 1.00 0.00 C ATOM 0 H PHE A 30 -6.526 -9.429 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.541 -11.114 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.452 -8.318 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.258 -9.189 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.140 -11.552 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.844 -8.552 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.123 -12.641 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.826 -9.638 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.042 -11.682 -3.560 1.00 0.00 H new ATOM 418 N CYS A 31 -7.257 -10.067 -0.102 1.00 0.00 N ATOM 419 CA CYS A 31 -8.372 -9.552 0.684 1.00 0.00 C ATOM 420 C CYS A 31 -8.070 -8.149 1.201 1.00 0.00 C ATOM 421 O CYS A 31 -7.045 -7.918 1.845 1.00 0.00 O ATOM 422 CB CYS A 31 -8.671 -10.487 1.858 1.00 0.00 C ATOM 423 SG CYS A 31 -7.493 -10.343 3.240 1.00 0.00 S ATOM 0 H CYS A 31 -6.851 -10.931 0.258 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.248 -9.501 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.675 -10.280 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.670 -11.516 1.499 1.00 0.00 H new ATOM 428 N THR A 32 -8.970 -7.212 0.916 1.00 0.00 N ATOM 429 CA THR A 32 -8.800 -5.831 1.350 1.00 0.00 C ATOM 430 C THR A 32 -8.065 -5.761 2.685 1.00 0.00 C ATOM 431 O THR A 32 -7.094 -5.019 2.832 1.00 0.00 O ATOM 432 CB THR A 32 -10.156 -5.115 1.486 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.872 -5.181 0.247 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.962 -3.660 1.888 1.00 0.00 C ATOM 0 H THR A 32 -9.824 -7.385 0.386 1.00 0.00 H new ATOM 0 HA THR A 32 -8.207 -5.329 0.585 1.00 0.00 H new ATOM 0 HB THR A 32 -10.730 -5.617 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.734 -4.725 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.934 -3.175 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.443 -3.613 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.370 -3.149 1.129 1.00 0.00 H new ATOM 442 N LEU A 33 -8.534 -6.539 3.654 1.00 0.00 N ATOM 443 CA LEU A 33 -7.920 -6.565 4.977 1.00 0.00 C ATOM 444 C LEU A 33 -6.400 -6.515 4.873 1.00 0.00 C ATOM 445 O LEU A 33 -5.773 -5.525 5.253 1.00 0.00 O ATOM 446 CB LEU A 33 -8.350 -7.823 5.735 1.00 0.00 C ATOM 447 CG LEU A 33 -9.673 -7.730 6.496 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.100 -9.102 6.994 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.552 -6.753 7.657 1.00 0.00 C ATOM 0 H LEU A 33 -9.337 -7.160 3.549 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.257 -5.685 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.421 -8.645 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.564 -8.082 6.444 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.438 -7.360 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.043 -9.016 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.227 -9.774 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.336 -9.501 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.503 -6.699 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.774 -7.094 8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.293 -5.765 7.276 1.00 0.00 H new ATOM 461 N CYS A 34 -5.811 -7.587 4.354 1.00 0.00 N ATOM 462 CA CYS A 34 -4.363 -7.665 4.198 1.00 0.00 C ATOM 463 C CYS A 34 -3.861 -6.589 3.240 1.00 0.00 C ATOM 464 O CYS A 34 -3.189 -5.642 3.650 1.00 0.00 O ATOM 465 CB CYS A 34 -3.959 -9.048 3.685 1.00 0.00 C ATOM 466 SG CYS A 34 -4.625 -10.430 4.669 1.00 0.00 S ATOM 0 H CYS A 34 -6.314 -8.414 4.034 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.907 -7.499 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.297 -9.154 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.871 -9.116 3.673 1.00 0.00 H new ATOM 471 N LEU A 35 -4.193 -6.739 1.963 1.00 0.00 N ATOM 472 CA LEU A 35 -3.776 -5.781 0.946 1.00 0.00 C ATOM 473 C LEU A 35 -3.771 -4.362 1.504 1.00 0.00 C ATOM 474 O LEU A 35 -2.945 -3.533 1.119 1.00 0.00 O ATOM 475 CB LEU A 35 -4.703 -5.860 -0.269 1.00 0.00 C ATOM 476 CG LEU A 35 -4.050 -5.614 -1.629 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.071 -5.762 -2.746 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.407 -4.236 -1.671 1.00 0.00 C ATOM 0 H LEU A 35 -4.750 -7.516 1.607 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.762 -6.034 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.166 -6.847 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.505 -5.134 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.270 -6.361 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.588 -5.583 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.484 -6.770 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.874 -5.038 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.947 -4.079 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.168 -3.474 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.645 -4.166 -0.895 1.00 0.00 H new ATOM 490 N LYS A 36 -4.697 -4.088 2.417 1.00 0.00 N ATOM 491 CA LYS A 36 -4.799 -2.770 3.033 1.00 0.00 C ATOM 492 C LYS A 36 -3.653 -2.538 4.013 1.00 0.00 C ATOM 493 O LYS A 36 -2.855 -1.618 3.839 1.00 0.00 O ATOM 494 CB LYS A 36 -6.140 -2.624 3.756 1.00 0.00 C ATOM 495 CG LYS A 36 -6.366 -1.243 4.346 1.00 0.00 C ATOM 496 CD LYS A 36 -7.552 -1.230 5.295 1.00 0.00 C ATOM 497 CE LYS A 36 -7.139 -1.608 6.709 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.290 -2.110 7.508 1.00 0.00 N ATOM 0 H LYS A 36 -5.388 -4.762 2.747 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.736 -2.021 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.946 -2.848 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.195 -3.364 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.470 -0.922 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.534 -0.526 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.004 -0.238 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.312 -1.925 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.364 -2.373 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.704 -0.740 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.967 -2.357 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.019 -1.371 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.689 -2.954 7.049 1.00 0.00 H new ATOM 512 N GLN A 37 -3.580 -3.378 5.039 1.00 0.00 N ATOM 513 CA GLN A 37 -2.531 -3.262 6.046 1.00 0.00 C ATOM 514 C GLN A 37 -1.149 -3.319 5.401 1.00 0.00 C ATOM 515 O GLN A 37 -0.277 -2.506 5.707 1.00 0.00 O ATOM 516 CB GLN A 37 -2.668 -4.376 7.085 1.00 0.00 C ATOM 517 CG GLN A 37 -3.940 -4.283 7.913 1.00 0.00 C ATOM 518 CD GLN A 37 -4.091 -5.436 8.885 1.00 0.00 C ATOM 519 OE1 GLN A 37 -4.212 -5.233 10.093 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.082 -6.657 8.362 1.00 0.00 N ATOM 0 H GLN A 37 -4.233 -4.146 5.196 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.642 -2.297 6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.645 -5.340 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.807 -4.347 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.940 -3.344 8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.802 -4.260 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.979 -6.780 7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.178 -7.472 8.968 1.00 0.00 H new ATOM 529 N TYR A 38 -0.958 -4.286 4.510 1.00 0.00 N ATOM 530 CA TYR A 38 0.318 -4.450 3.825 1.00 0.00 C ATOM 531 C TYR A 38 0.847 -3.109 3.326 1.00 0.00 C ATOM 532 O TYR A 38 1.859 -2.607 3.816 1.00 0.00 O ATOM 533 CB TYR A 38 0.169 -5.421 2.651 1.00 0.00 C ATOM 534 CG TYR A 38 1.321 -5.368 1.672 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.577 -5.845 2.023 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.152 -4.842 0.398 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.633 -5.800 1.133 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.201 -4.793 -0.499 1.00 0.00 C ATOM 539 CZ TYR A 38 3.439 -5.273 -0.127 1.00 0.00 C ATOM 540 OH TYR A 38 4.487 -5.225 -1.018 1.00 0.00 O ATOM 0 H TYR A 38 -1.670 -4.967 4.246 1.00 0.00 H new ATOM 0 HA TYR A 38 1.034 -4.858 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.079 -6.436 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.757 -5.199 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.731 -6.258 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.184 -4.465 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.604 -6.175 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.053 -4.381 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 38 4.274 -4.597 -1.740 1.00 0.00 H new ATOM 550 N VAL A 39 0.153 -2.533 2.349 1.00 0.00 N ATOM 551 CA VAL A 39 0.550 -1.249 1.784 1.00 0.00 C ATOM 552 C VAL A 39 0.734 -0.201 2.877 1.00 0.00 C ATOM 553 O VAL A 39 1.563 0.699 2.754 1.00 0.00 O ATOM 554 CB VAL A 39 -0.488 -0.738 0.768 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.692 -1.755 -0.344 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.805 -0.425 1.463 1.00 0.00 C ATOM 0 H VAL A 39 -0.687 -2.935 1.933 1.00 0.00 H new ATOM 0 HA VAL A 39 1.500 -1.408 1.273 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.111 0.182 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.429 -1.377 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.253 -1.925 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.047 -2.694 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.527 -0.065 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.189 -1.328 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.644 0.342 2.220 1.00 0.00 H new ATOM 566 N GLU A 40 -0.047 -0.326 3.946 1.00 0.00 N ATOM 567 CA GLU A 40 0.031 0.611 5.061 1.00 0.00 C ATOM 568 C GLU A 40 1.371 0.493 5.779 1.00 0.00 C ATOM 569 O GLU A 40 2.158 1.441 5.808 1.00 0.00 O ATOM 570 CB GLU A 40 -1.112 0.359 6.047 1.00 0.00 C ATOM 571 CG GLU A 40 -2.324 1.246 5.813 1.00 0.00 C ATOM 572 CD GLU A 40 -3.233 1.321 7.024 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.541 0.257 7.601 1.00 0.00 O ATOM 574 OE2 GLU A 40 -3.638 2.443 7.393 1.00 0.00 O ATOM 0 H GLU A 40 -0.740 -1.066 4.063 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.059 1.621 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.417 -0.685 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.747 0.517 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.990 2.250 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.889 0.866 4.962 1.00 0.00 H new ATOM 581 N LEU A 41 1.626 -0.675 6.358 1.00 0.00 N ATOM 582 CA LEU A 41 2.871 -0.918 7.077 1.00 0.00 C ATOM 583 C LEU A 41 4.070 -0.424 6.272 1.00 0.00 C ATOM 584 O LEU A 41 5.003 0.162 6.825 1.00 0.00 O ATOM 585 CB LEU A 41 3.027 -2.409 7.380 1.00 0.00 C ATOM 586 CG LEU A 41 2.495 -2.878 8.734 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.366 -2.348 9.862 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.050 -2.438 8.922 1.00 0.00 C ATOM 0 H LEU A 41 0.986 -1.469 6.343 1.00 0.00 H new ATOM 0 HA LEU A 41 2.833 -0.365 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.520 -2.973 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.085 -2.663 7.320 1.00 0.00 H new ATOM 0 HG LEU A 41 2.528 -3.967 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.972 -2.692 10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.385 -2.713 9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.366 -1.258 9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.688 -2.781 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.992 -1.350 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.433 -2.867 8.132 1.00 0.00 H new ATOM 600 N LEU A 42 4.037 -0.660 4.966 1.00 0.00 N ATOM 601 CA LEU A 42 5.119 -0.237 4.084 1.00 0.00 C ATOM 602 C LEU A 42 5.257 1.283 4.081 1.00 0.00 C ATOM 603 O LEU A 42 6.306 1.821 4.436 1.00 0.00 O ATOM 604 CB LEU A 42 4.871 -0.740 2.661 1.00 0.00 C ATOM 605 CG LEU A 42 5.466 -2.106 2.320 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.085 -2.516 0.905 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.979 -2.084 2.480 1.00 0.00 C ATOM 0 H LEU A 42 3.272 -1.142 4.494 1.00 0.00 H new ATOM 0 HA LEU A 42 6.048 -0.668 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.795 -0.783 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.273 -0.006 1.962 1.00 0.00 H new ATOM 0 HG LEU A 42 5.058 -2.842 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.517 -3.491 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.000 -2.573 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.465 -1.779 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.385 -3.065 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.405 -1.336 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.232 -1.835 3.511 1.00 0.00 H new ATOM 619 N ILE A 43 4.191 1.967 3.682 1.00 0.00 N ATOM 620 CA ILE A 43 4.192 3.424 3.637 1.00 0.00 C ATOM 621 C ILE A 43 4.808 4.013 4.901 1.00 0.00 C ATOM 622 O ILE A 43 5.649 4.909 4.837 1.00 0.00 O ATOM 623 CB ILE A 43 2.767 3.983 3.466 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.228 3.646 2.074 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.757 5.487 3.693 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.718 3.694 1.983 1.00 0.00 C ATOM 0 H ILE A 43 3.315 1.536 3.385 1.00 0.00 H new ATOM 0 HA ILE A 43 4.793 3.712 2.774 1.00 0.00 H new ATOM 0 HB ILE A 43 2.119 3.519 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.650 4.344 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.570 2.650 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.743 5.867 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.105 5.705 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.416 5.968 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.407 3.445 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.288 2.976 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.370 4.696 2.233 1.00 0.00 H new ATOM 638 N LYS A 44 4.384 3.502 6.053 1.00 0.00 N ATOM 639 CA LYS A 44 4.896 3.973 7.334 1.00 0.00 C ATOM 640 C LYS A 44 6.418 4.063 7.313 1.00 0.00 C ATOM 641 O LYS A 44 7.002 4.996 7.863 1.00 0.00 O ATOM 642 CB LYS A 44 4.446 3.041 8.461 1.00 0.00 C ATOM 643 CG LYS A 44 2.936 2.950 8.608 1.00 0.00 C ATOM 644 CD LYS A 44 2.369 4.175 9.305 1.00 0.00 C ATOM 645 CE LYS A 44 1.006 3.887 9.917 1.00 0.00 C ATOM 646 NZ LYS A 44 1.124 3.219 11.242 1.00 0.00 N ATOM 0 H LYS A 44 3.687 2.761 6.125 1.00 0.00 H new ATOM 0 HA LYS A 44 4.493 4.970 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.846 2.044 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.874 3.388 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.479 2.846 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.678 2.056 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.057 4.503 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.283 4.994 8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.453 4.820 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.431 3.254 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.174 3.040 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.629 2.317 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.651 3.833 11.895 1.00 0.00 H new ATOM 660 N GLU A 45 7.055 3.087 6.671 1.00 0.00 N ATOM 661 CA GLU A 45 8.510 3.058 6.578 1.00 0.00 C ATOM 662 C GLU A 45 9.032 4.279 5.826 1.00 0.00 C ATOM 663 O GLU A 45 9.632 5.176 6.416 1.00 0.00 O ATOM 664 CB GLU A 45 8.973 1.778 5.880 1.00 0.00 C ATOM 665 CG GLU A 45 10.462 1.512 6.021 1.00 0.00 C ATOM 666 CD GLU A 45 10.950 1.669 7.449 1.00 0.00 C ATOM 667 OE1 GLU A 45 11.141 2.822 7.887 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.139 0.637 8.127 1.00 0.00 O ATOM 0 H GLU A 45 6.587 2.308 6.209 1.00 0.00 H new ATOM 0 HA GLU A 45 8.914 3.077 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.421 0.932 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.722 1.841 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.681 0.502 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.012 2.197 5.376 1.00 0.00 H new ATOM 675 N GLY A 46 8.797 4.304 4.517 1.00 0.00 N ATOM 676 CA GLY A 46 9.252 5.418 3.705 1.00 0.00 C ATOM 677 C GLY A 46 10.670 5.231 3.204 1.00 0.00 C ATOM 678 O GLY A 46 11.488 6.148 3.280 1.00 0.00 O ATOM 0 H GLY A 46 8.301 3.574 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.583 5.540 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.195 6.336 4.289 1.00 0.00 H new ATOM 682 N LEU A 47 10.963 4.041 2.693 1.00 0.00 N ATOM 683 CA LEU A 47 12.294 3.735 2.179 1.00 0.00 C ATOM 684 C LEU A 47 12.214 3.175 0.763 1.00 0.00 C ATOM 685 O LEU A 47 13.137 3.346 -0.034 1.00 0.00 O ATOM 686 CB LEU A 47 12.999 2.735 3.096 1.00 0.00 C ATOM 687 CG LEU A 47 12.883 1.264 2.700 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.058 0.851 1.826 1.00 0.00 C ATOM 689 CD2 LEU A 47 12.802 0.382 3.938 1.00 0.00 C ATOM 0 H LEU A 47 10.297 3.272 2.623 1.00 0.00 H new ATOM 0 HA LEU A 47 12.868 4.661 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.056 2.996 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.599 2.852 4.103 1.00 0.00 H new ATOM 0 HG LEU A 47 11.966 1.135 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.958 -0.200 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.071 1.460 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.988 0.997 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.720 -0.662 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.701 0.516 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.927 0.660 4.526 1.00 0.00 H new ATOM 701 N GLU A 48 11.106 2.509 0.455 1.00 0.00 N ATOM 702 CA GLU A 48 10.907 1.926 -0.866 1.00 0.00 C ATOM 703 C GLU A 48 10.251 2.929 -1.810 1.00 0.00 C ATOM 704 O GLU A 48 10.436 2.868 -3.026 1.00 0.00 O ATOM 705 CB GLU A 48 10.047 0.664 -0.767 1.00 0.00 C ATOM 706 CG GLU A 48 10.857 -0.617 -0.652 1.00 0.00 C ATOM 707 CD GLU A 48 11.887 -0.757 -1.756 1.00 0.00 C ATOM 708 OE1 GLU A 48 11.485 -0.978 -2.918 1.00 0.00 O ATOM 709 OE2 GLU A 48 13.094 -0.645 -1.459 1.00 0.00 O ATOM 0 H GLU A 48 10.332 2.360 1.103 1.00 0.00 H new ATOM 0 HA GLU A 48 11.884 1.660 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.391 0.748 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.406 0.601 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.361 -0.638 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.182 -1.473 -0.679 1.00 0.00 H new ATOM 716 N THR A 49 9.481 3.852 -1.242 1.00 0.00 N ATOM 717 CA THR A 49 8.795 4.867 -2.032 1.00 0.00 C ATOM 718 C THR A 49 7.948 4.231 -3.128 1.00 0.00 C ATOM 719 O THR A 49 7.737 4.826 -4.184 1.00 0.00 O ATOM 720 CB THR A 49 9.794 5.849 -2.673 1.00 0.00 C ATOM 721 OG1 THR A 49 10.855 6.138 -1.757 1.00 0.00 O ATOM 722 CG2 THR A 49 9.099 7.140 -3.077 1.00 0.00 C ATOM 0 H THR A 49 9.317 3.917 -0.237 1.00 0.00 H new ATOM 0 HA THR A 49 8.146 5.415 -1.349 1.00 0.00 H new ATOM 0 HB THR A 49 10.206 5.381 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.486 6.761 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.824 7.818 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.312 6.919 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.662 7.609 -2.196 1.00 0.00 H new ATOM 730 N ALA A 50 7.465 3.021 -2.869 1.00 0.00 N ATOM 731 CA ALA A 50 6.638 2.306 -3.833 1.00 0.00 C ATOM 732 C ALA A 50 5.932 1.123 -3.180 1.00 0.00 C ATOM 733 O ALA A 50 6.501 0.445 -2.322 1.00 0.00 O ATOM 734 CB ALA A 50 7.483 1.836 -5.008 1.00 0.00 C ATOM 0 H ALA A 50 7.632 2.515 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 50 5.875 2.993 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.852 1.304 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.936 2.698 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.267 1.169 -4.649 1.00 0.00 H new ATOM 740 N ILE A 51 4.692 0.878 -3.591 1.00 0.00 N ATOM 741 CA ILE A 51 3.910 -0.224 -3.047 1.00 0.00 C ATOM 742 C ILE A 51 3.939 -1.431 -3.977 1.00 0.00 C ATOM 743 O ILE A 51 3.078 -1.579 -4.844 1.00 0.00 O ATOM 744 CB ILE A 51 2.447 0.190 -2.805 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.387 1.509 -2.032 1.00 0.00 C ATOM 746 CG2 ILE A 51 1.704 -0.905 -2.054 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.853 1.390 -0.597 1.00 0.00 C ATOM 0 H ILE A 51 4.208 1.429 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 51 4.365 -0.493 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 51 1.962 0.335 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.001 2.250 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.363 1.881 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.671 -0.598 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.721 -1.824 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.187 -1.079 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.783 2.363 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.224 0.674 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.888 1.048 -0.578 1.00 0.00 H new ATOM 759 N SER A 52 4.934 -2.292 -3.791 1.00 0.00 N ATOM 760 CA SER A 52 5.075 -3.487 -4.615 1.00 0.00 C ATOM 761 C SER A 52 4.079 -4.562 -4.191 1.00 0.00 C ATOM 762 O SER A 52 3.227 -4.331 -3.332 1.00 0.00 O ATOM 763 CB SER A 52 6.502 -4.032 -4.519 1.00 0.00 C ATOM 764 OG SER A 52 6.825 -4.383 -3.186 1.00 0.00 O ATOM 0 H SER A 52 5.655 -2.185 -3.077 1.00 0.00 H new ATOM 0 HA SER A 52 4.866 -3.212 -5.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.605 -4.905 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.206 -3.283 -4.882 1.00 0.00 H new ATOM 0 HG SER A 52 7.741 -4.730 -3.152 1.00 0.00 H new ATOM 770 N CYS A 53 4.191 -5.737 -4.800 1.00 0.00 N ATOM 771 CA CYS A 53 3.302 -6.849 -4.488 1.00 0.00 C ATOM 772 C CYS A 53 3.620 -7.431 -3.114 1.00 0.00 C ATOM 773 O CYS A 53 4.778 -7.651 -2.759 1.00 0.00 O ATOM 774 CB CYS A 53 3.419 -7.938 -5.556 1.00 0.00 C ATOM 775 SG CYS A 53 2.279 -9.339 -5.317 1.00 0.00 S ATOM 0 H CYS A 53 4.890 -5.944 -5.514 1.00 0.00 H new ATOM 0 HA CYS A 53 2.280 -6.472 -4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.233 -7.494 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.442 -8.314 -5.566 1.00 0.00 H new ATOM 780 N PRO A 54 2.568 -7.688 -2.323 1.00 0.00 N ATOM 781 CA PRO A 54 2.710 -8.250 -0.976 1.00 0.00 C ATOM 782 C PRO A 54 3.172 -9.703 -0.999 1.00 0.00 C ATOM 783 O PRO A 54 3.310 -10.336 0.048 1.00 0.00 O ATOM 784 CB PRO A 54 1.296 -8.148 -0.398 1.00 0.00 C ATOM 785 CG PRO A 54 0.399 -8.151 -1.589 1.00 0.00 C ATOM 786 CD PRO A 54 1.160 -7.452 -2.681 1.00 0.00 C ATOM 0 HA PRO A 54 3.464 -7.722 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.078 -8.986 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.173 -7.237 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.142 -9.169 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.537 -7.636 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.921 -7.862 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.927 -6.388 -2.715 1.00 0.00 H new ATOM 794 N ASP A 55 3.411 -10.223 -2.197 1.00 0.00 N ATOM 795 CA ASP A 55 3.859 -11.602 -2.356 1.00 0.00 C ATOM 796 C ASP A 55 5.369 -11.661 -2.568 1.00 0.00 C ATOM 797 O ASP A 55 5.934 -10.854 -3.307 1.00 0.00 O ATOM 798 CB ASP A 55 3.140 -12.263 -3.532 1.00 0.00 C ATOM 799 CG ASP A 55 3.567 -13.702 -3.737 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.711 -14.428 -2.730 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.757 -14.105 -4.904 1.00 0.00 O ATOM 0 H ASP A 55 3.302 -9.711 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 55 3.617 -12.144 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.064 -12.227 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.339 -11.695 -4.441 1.00 0.00 H new ATOM 806 N ALA A 56 6.017 -12.620 -1.916 1.00 0.00 N ATOM 807 CA ALA A 56 7.460 -12.785 -2.034 1.00 0.00 C ATOM 808 C ALA A 56 7.812 -13.755 -3.156 1.00 0.00 C ATOM 809 O ALA A 56 8.900 -13.690 -3.729 1.00 0.00 O ATOM 810 CB ALA A 56 8.046 -13.266 -0.715 1.00 0.00 C ATOM 0 H ALA A 56 5.565 -13.295 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 56 7.892 -11.815 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.125 -13.385 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.834 -12.535 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.599 -14.223 -0.446 1.00 0.00 H new ATOM 816 N ALA A 57 6.885 -14.657 -3.465 1.00 0.00 N ATOM 817 CA ALA A 57 7.097 -15.640 -4.520 1.00 0.00 C ATOM 818 C ALA A 57 6.398 -15.223 -5.808 1.00 0.00 C ATOM 819 O ALA A 57 5.884 -16.062 -6.549 1.00 0.00 O ATOM 820 CB ALA A 57 6.607 -17.009 -4.070 1.00 0.00 C ATOM 0 H ALA A 57 5.980 -14.727 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 57 8.167 -15.696 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.771 -17.734 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.156 -17.317 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.543 -16.957 -3.840 1.00 0.00 H new ATOM 826 N CYS A 58 6.381 -13.921 -6.071 1.00 0.00 N ATOM 827 CA CYS A 58 5.743 -13.390 -7.271 1.00 0.00 C ATOM 828 C CYS A 58 6.748 -13.272 -8.414 1.00 0.00 C ATOM 829 O CYS A 58 7.705 -12.501 -8.355 1.00 0.00 O ATOM 830 CB CYS A 58 5.122 -12.023 -6.981 1.00 0.00 C ATOM 831 SG CYS A 58 3.958 -11.448 -8.260 1.00 0.00 S ATOM 0 H CYS A 58 6.802 -13.213 -5.469 1.00 0.00 H new ATOM 0 HA CYS A 58 4.957 -14.083 -7.571 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.601 -12.068 -6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.920 -11.288 -6.875 1.00 0.00 H new ATOM 836 N PRO A 59 6.525 -14.057 -9.479 1.00 0.00 N ATOM 837 CA PRO A 59 7.399 -14.059 -10.656 1.00 0.00 C ATOM 838 C PRO A 59 7.291 -12.768 -11.461 1.00 0.00 C ATOM 839 O PRO A 59 8.218 -12.392 -12.178 1.00 0.00 O ATOM 840 CB PRO A 59 6.885 -15.245 -11.476 1.00 0.00 C ATOM 841 CG PRO A 59 5.462 -15.403 -11.064 1.00 0.00 C ATOM 842 CD PRO A 59 5.403 -15.002 -9.617 1.00 0.00 C ATOM 0 HA PRO A 59 8.451 -14.136 -10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.968 -15.052 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.460 -16.148 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.808 -14.775 -11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.129 -16.432 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.451 -14.534 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.518 -15.862 -8.957 1.00 0.00 H new ATOM 850 N LYS A 60 6.152 -12.093 -11.338 1.00 0.00 N ATOM 851 CA LYS A 60 5.923 -10.843 -12.052 1.00 0.00 C ATOM 852 C LYS A 60 6.484 -9.660 -11.271 1.00 0.00 C ATOM 853 O LYS A 60 7.033 -8.725 -11.853 1.00 0.00 O ATOM 854 CB LYS A 60 4.426 -10.641 -12.300 1.00 0.00 C ATOM 855 CG LYS A 60 4.109 -9.427 -13.155 1.00 0.00 C ATOM 856 CD LYS A 60 4.232 -9.742 -14.637 1.00 0.00 C ATOM 857 CE LYS A 60 3.319 -8.858 -15.472 1.00 0.00 C ATOM 858 NZ LYS A 60 3.947 -7.544 -15.780 1.00 0.00 N ATOM 0 H LYS A 60 5.374 -12.391 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 60 6.439 -10.900 -13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.023 -11.531 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.918 -10.542 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.098 -9.082 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.786 -8.613 -12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.265 -9.603 -14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.984 -10.789 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.071 -9.369 -16.403 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.383 -8.696 -14.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.292 -6.972 -16.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.161 -7.045 -14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.828 -7.696 -16.312 1.00 0.00 H new ATOM 872 N GLN A 61 6.343 -9.708 -9.949 1.00 0.00 N ATOM 873 CA GLN A 61 6.836 -8.638 -9.089 1.00 0.00 C ATOM 874 C GLN A 61 6.187 -7.306 -9.450 1.00 0.00 C ATOM 875 O GLN A 61 6.872 -6.302 -9.639 1.00 0.00 O ATOM 876 CB GLN A 61 8.358 -8.525 -9.203 1.00 0.00 C ATOM 877 CG GLN A 61 9.083 -9.844 -8.991 1.00 0.00 C ATOM 878 CD GLN A 61 10.589 -9.709 -9.110 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.154 -9.860 -10.193 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.247 -9.421 -7.992 1.00 0.00 N ATOM 0 H GLN A 61 5.892 -10.476 -9.451 1.00 0.00 H new ATOM 0 HA GLN A 61 6.572 -8.882 -8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.612 -8.134 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.716 -7.801 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.834 -10.236 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.728 -10.571 -9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.738 -9.304 -7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.261 -9.316 -8.010 1.00 0.00 H new ATOM 889 N GLY A 62 4.861 -7.306 -9.544 1.00 0.00 N ATOM 890 CA GLY A 62 4.142 -6.091 -9.882 1.00 0.00 C ATOM 891 C GLY A 62 3.946 -5.181 -8.686 1.00 0.00 C ATOM 892 O GLY A 62 4.533 -5.402 -7.626 1.00 0.00 O ATOM 0 H GLY A 62 4.272 -8.125 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.688 -5.554 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.169 -6.352 -10.299 1.00 0.00 H new ATOM 896 N HIS A 63 3.121 -4.153 -8.855 1.00 0.00 N ATOM 897 CA HIS A 63 2.850 -3.205 -7.780 1.00 0.00 C ATOM 898 C HIS A 63 1.382 -2.789 -7.780 1.00 0.00 C ATOM 899 O HIS A 63 0.604 -3.218 -8.633 1.00 0.00 O ATOM 900 CB HIS A 63 3.742 -1.972 -7.923 1.00 0.00 C ATOM 901 CG HIS A 63 5.163 -2.296 -8.269 1.00 0.00 C ATOM 902 ND1 HIS A 63 5.529 -2.908 -9.449 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.310 -2.089 -7.582 1.00 0.00 C ATOM 904 CE1 HIS A 63 6.841 -3.065 -9.471 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.339 -2.575 -8.351 1.00 0.00 N ATOM 0 H HIS A 63 2.628 -3.955 -9.726 1.00 0.00 H new ATOM 0 HA HIS A 63 3.070 -3.695 -6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.328 -1.322 -8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.723 -1.410 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.400 -1.627 -6.610 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.409 -3.518 -10.270 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.327 -2.560 -8.098 1.00 0.00 H new ATOM 913 N LEU A 64 1.010 -1.953 -6.817 1.00 0.00 N ATOM 914 CA LEU A 64 -0.365 -1.479 -6.704 1.00 0.00 C ATOM 915 C LEU A 64 -0.526 -0.114 -7.364 1.00 0.00 C ATOM 916 O LEU A 64 0.323 0.765 -7.208 1.00 0.00 O ATOM 917 CB LEU A 64 -0.780 -1.401 -5.233 1.00 0.00 C ATOM 918 CG LEU A 64 -1.289 -2.700 -4.610 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.566 -3.158 -5.298 1.00 0.00 C ATOM 920 CD2 LEU A 64 -0.222 -3.783 -4.686 1.00 0.00 C ATOM 0 H LEU A 64 1.641 -1.589 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.012 -2.189 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.075 -1.054 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.559 -0.645 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.514 -2.513 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.913 -4.084 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.333 -2.391 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.368 -3.328 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.602 -4.701 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.035 -3.968 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.667 -3.457 -4.146 1.00 0.00 H new ATOM 932 N GLN A 65 -1.621 0.058 -8.097 1.00 0.00 N ATOM 933 CA GLN A 65 -1.894 1.318 -8.778 1.00 0.00 C ATOM 934 C GLN A 65 -2.245 2.413 -7.778 1.00 0.00 C ATOM 935 O GLN A 65 -2.975 2.177 -6.815 1.00 0.00 O ATOM 936 CB GLN A 65 -3.034 1.143 -9.783 1.00 0.00 C ATOM 937 CG GLN A 65 -2.719 0.155 -10.895 1.00 0.00 C ATOM 938 CD GLN A 65 -2.802 -1.287 -10.435 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.891 -1.823 -10.224 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.648 -1.925 -10.276 1.00 0.00 N ATOM 0 H GLN A 65 -2.333 -0.659 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.992 1.616 -9.312 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.926 0.809 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.270 2.111 -10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.414 0.310 -11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.718 0.353 -11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.769 -1.443 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.641 -2.897 -9.968 1.00 0.00 H new ATOM 949 N GLU A 66 -1.721 3.613 -8.010 1.00 0.00 N ATOM 950 CA GLU A 66 -1.980 4.743 -7.127 1.00 0.00 C ATOM 951 C GLU A 66 -3.458 4.814 -6.752 1.00 0.00 C ATOM 952 O GLU A 66 -3.807 4.868 -5.574 1.00 0.00 O ATOM 953 CB GLU A 66 -1.550 6.051 -7.796 1.00 0.00 C ATOM 954 CG GLU A 66 -1.585 7.251 -6.866 1.00 0.00 C ATOM 955 CD GLU A 66 -2.935 7.944 -6.858 1.00 0.00 C ATOM 956 OE1 GLU A 66 -3.702 7.759 -7.825 1.00 0.00 O ATOM 957 OE2 GLU A 66 -3.223 8.669 -5.884 1.00 0.00 O ATOM 0 H GLU A 66 -1.115 3.827 -8.802 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.398 4.600 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.539 5.934 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.201 6.244 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.340 6.929 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.817 7.963 -7.168 1.00 0.00 H new ATOM 964 N ASN A 67 -4.320 4.814 -7.764 1.00 0.00 N ATOM 965 CA ASN A 67 -5.760 4.878 -7.540 1.00 0.00 C ATOM 966 C ASN A 67 -6.179 3.931 -6.420 1.00 0.00 C ATOM 967 O ASN A 67 -6.873 4.330 -5.486 1.00 0.00 O ATOM 968 CB ASN A 67 -6.511 4.531 -8.827 1.00 0.00 C ATOM 969 CG ASN A 67 -5.798 5.032 -10.067 1.00 0.00 C ATOM 970 OD1 ASN A 67 -5.886 6.210 -10.414 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.087 4.137 -10.743 1.00 0.00 N ATOM 0 H ASN A 67 -4.047 4.770 -8.746 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.013 5.896 -7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.632 3.450 -8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.511 4.962 -8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.586 4.416 -11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.042 3.171 -10.419 1.00 0.00 H new ATOM 978 N GLU A 68 -5.754 2.676 -6.523 1.00 0.00 N ATOM 979 CA GLU A 68 -6.087 1.672 -5.520 1.00 0.00 C ATOM 980 C GLU A 68 -5.734 2.166 -4.120 1.00 0.00 C ATOM 981 O GLU A 68 -6.595 2.252 -3.244 1.00 0.00 O ATOM 982 CB GLU A 68 -5.351 0.363 -5.811 1.00 0.00 C ATOM 983 CG GLU A 68 -5.975 -0.448 -6.935 1.00 0.00 C ATOM 984 CD GLU A 68 -7.378 -0.918 -6.607 1.00 0.00 C ATOM 985 OE1 GLU A 68 -7.573 -1.489 -5.513 1.00 0.00 O ATOM 986 OE2 GLU A 68 -8.283 -0.712 -7.443 1.00 0.00 O ATOM 0 H GLU A 68 -5.178 2.330 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.161 1.493 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.316 0.587 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.331 -0.242 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.001 0.156 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.346 -1.313 -7.146 1.00 0.00 H new ATOM 993 N ILE A 69 -4.461 2.487 -3.915 1.00 0.00 N ATOM 994 CA ILE A 69 -3.993 2.972 -2.623 1.00 0.00 C ATOM 995 C ILE A 69 -4.830 4.153 -2.143 1.00 0.00 C ATOM 996 O ILE A 69 -5.411 4.113 -1.059 1.00 0.00 O ATOM 997 CB ILE A 69 -2.513 3.397 -2.682 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.649 2.242 -3.196 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.038 3.852 -1.312 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.433 2.696 -3.972 1.00 0.00 C ATOM 0 H ILE A 69 -3.735 2.420 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.097 2.146 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.417 4.234 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.325 1.637 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.257 1.599 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.991 4.149 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.638 4.700 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.144 3.034 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.132 1.825 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.750 3.276 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.197 3.314 -3.332 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.888 5.200 -2.959 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.656 6.392 -2.617 1.00 0.00 C ATOM 1014 C GLU A 70 -6.915 6.023 -1.839 1.00 0.00 C ATOM 1015 O GLU A 70 -7.113 6.472 -0.709 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.033 7.163 -3.885 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.197 8.656 -3.662 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.527 9.010 -3.025 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.574 8.673 -3.614 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -7.519 9.624 -1.937 1.00 0.00 O ATOM 0 H GLU A 70 -4.413 5.248 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.034 7.026 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.266 6.999 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.964 6.759 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.387 9.015 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.107 9.174 -4.617 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.762 5.203 -2.449 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.003 4.775 -1.814 1.00 0.00 C ATOM 1029 C CYS A 71 -8.720 3.841 -0.643 1.00 0.00 C ATOM 1030 O CYS A 71 -9.300 3.985 0.433 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.907 4.076 -2.833 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.451 3.442 -2.137 1.00 0.00 S ATOM 0 H CYS A 71 -7.612 4.821 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.512 5.661 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.143 4.776 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.358 3.249 -3.283 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.147 2.871 -3.075 1.00 0.00 H new ATOM 1038 N MET A 72 -7.827 2.881 -0.860 1.00 0.00 N ATOM 1039 CA MET A 72 -7.468 1.923 0.178 1.00 0.00 C ATOM 1040 C MET A 72 -7.182 2.632 1.498 1.00 0.00 C ATOM 1041 O MET A 72 -7.869 2.410 2.495 1.00 0.00 O ATOM 1042 CB MET A 72 -6.247 1.107 -0.251 1.00 0.00 C ATOM 1043 CG MET A 72 -6.154 -0.250 0.427 1.00 0.00 C ATOM 1044 SD MET A 72 -4.985 -1.355 -0.389 1.00 0.00 S ATOM 1045 CE MET A 72 -5.713 -1.473 -2.021 1.00 0.00 C ATOM 0 H MET A 72 -7.339 2.746 -1.745 1.00 0.00 H new ATOM 0 HA MET A 72 -8.313 1.250 0.323 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.278 0.963 -1.331 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.344 1.677 -0.031 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.854 -0.113 1.466 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.140 -0.715 0.438 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.764 -2.519 -2.322 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.718 -1.051 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.101 -0.920 -2.733 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.163 3.487 1.497 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.788 4.229 2.694 1.00 0.00 C ATOM 1057 C VAL A 73 -6.437 5.609 2.711 1.00 0.00 C ATOM 1058 O VAL A 73 -6.519 6.281 1.682 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.260 4.392 2.796 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.571 3.040 2.700 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.750 5.337 1.718 1.00 0.00 C ATOM 0 H VAL A 73 -5.583 3.682 0.681 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.143 3.653 3.548 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.024 4.826 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.492 3.175 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.913 2.399 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.814 2.575 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.668 5.440 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.998 4.935 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.218 6.314 1.839 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.896 6.028 3.886 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.535 7.328 4.038 1.00 0.00 C ATOM 1073 C ALA A 74 -6.560 8.459 3.728 1.00 0.00 C ATOM 1074 O ALA A 74 -5.355 8.239 3.620 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.093 7.481 5.445 1.00 0.00 C ATOM 0 H ALA A 74 -6.837 5.485 4.747 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.357 7.386 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.568 8.457 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.829 6.699 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.283 7.396 6.169 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.090 9.669 3.584 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.266 10.834 3.288 1.00 0.00 C ATOM 1083 C ALA A 75 -5.098 10.942 4.262 1.00 0.00 C ATOM 1084 O ALA A 75 -3.937 10.919 3.857 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.109 12.100 3.327 1.00 0.00 C ATOM 0 H ALA A 75 -8.087 9.868 3.668 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.857 10.714 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.481 12.962 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.905 12.030 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.546 12.216 4.319 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.415 11.062 5.547 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.390 11.175 6.579 1.00 0.00 C ATOM 1093 C GLU A 76 -3.201 10.271 6.266 1.00 0.00 C ATOM 1094 O GLU A 76 -2.047 10.664 6.441 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.971 10.818 7.948 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.521 9.403 8.025 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.619 9.259 9.060 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.502 9.876 10.140 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.597 8.531 8.789 1.00 0.00 O ATOM 0 H GLU A 76 -6.372 11.084 5.899 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.043 12.208 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.196 10.940 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.767 11.522 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.908 9.114 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.710 8.715 8.263 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.492 9.061 5.803 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.447 8.101 5.465 1.00 0.00 C ATOM 1108 C ILE A 77 -1.846 8.403 4.098 1.00 0.00 C ATOM 1109 O ILE A 77 -0.657 8.699 3.983 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.986 6.658 5.471 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.495 6.285 6.864 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.905 5.688 5.018 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.388 6.054 7.870 1.00 0.00 C ATOM 0 H ILE A 77 -4.442 8.721 5.653 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.673 8.194 6.227 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.820 6.595 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.146 7.079 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.102 5.383 6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.300 4.672 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.587 5.944 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.052 5.752 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.822 5.793 8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.749 5.240 7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.794 6.962 7.973 1.00 0.00 H new ATOM 1125 N MET A 78 -2.675 8.327 3.062 1.00 0.00 N ATOM 1126 CA MET A 78 -2.225 8.595 1.701 1.00 0.00 C ATOM 1127 C MET A 78 -1.149 9.677 1.688 1.00 0.00 C ATOM 1128 O MET A 78 -0.143 9.554 0.989 1.00 0.00 O ATOM 1129 CB MET A 78 -3.404 9.021 0.825 1.00 0.00 C ATOM 1130 CG MET A 78 -3.059 9.124 -0.651 1.00 0.00 C ATOM 1131 SD MET A 78 -2.392 7.587 -1.317 1.00 0.00 S ATOM 1132 CE MET A 78 -1.472 8.199 -2.726 1.00 0.00 C ATOM 0 H MET A 78 -3.662 8.082 3.139 1.00 0.00 H new ATOM 0 HA MET A 78 -1.797 7.677 1.299 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.216 8.305 0.951 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.773 9.986 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.953 9.400 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.332 9.924 -0.795 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.425 7.426 -3.493 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.969 9.081 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.461 8.463 -2.414 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.369 10.733 2.463 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.419 11.836 2.537 1.00 0.00 C ATOM 1144 C GLN A 79 1.000 11.319 2.752 1.00 0.00 C ATOM 1145 O GLN A 79 1.925 11.702 2.037 1.00 0.00 O ATOM 1146 CB GLN A 79 -0.802 12.793 3.669 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.234 14.192 3.502 1.00 0.00 C ATOM 1148 CD GLN A 79 -0.860 14.941 2.343 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.024 14.726 2.006 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -0.088 15.828 1.725 1.00 0.00 N ATOM 0 H GLN A 79 -2.196 10.848 3.048 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.451 12.374 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.889 12.856 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.455 12.380 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.391 14.756 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.843 14.127 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.872 15.974 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.455 16.363 0.938 1.00 0.00 H new ATOM 1159 N ARG A 80 1.163 10.446 3.742 1.00 0.00 N ATOM 1160 CA ARG A 80 2.470 9.877 4.051 1.00 0.00 C ATOM 1161 C ARG A 80 3.136 9.331 2.792 1.00 0.00 C ATOM 1162 O ARG A 80 4.281 9.669 2.487 1.00 0.00 O ATOM 1163 CB ARG A 80 2.330 8.764 5.092 1.00 0.00 C ATOM 1164 CG ARG A 80 1.852 9.254 6.449 1.00 0.00 C ATOM 1165 CD ARG A 80 1.282 8.118 7.282 1.00 0.00 C ATOM 1166 NE ARG A 80 0.351 8.599 8.300 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.729 9.006 9.506 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.012 8.991 9.844 1.00 0.00 N ATOM 1169 NH2 ARG A 80 -0.176 9.431 10.379 1.00 0.00 N ATOM 0 H ARG A 80 0.407 10.118 4.343 1.00 0.00 H new ATOM 0 HA ARG A 80 3.098 10.669 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.631 8.015 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.293 8.268 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.682 9.717 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.092 10.023 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.771 7.411 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.097 7.577 7.763 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.643 8.623 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.711 8.666 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.299 9.304 10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.163 9.445 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.116 9.743 11.305 1.00 0.00 H new ATOM 1183 N TYR A 81 2.414 8.486 2.065 1.00 0.00 N ATOM 1184 CA TYR A 81 2.937 7.891 0.840 1.00 0.00 C ATOM 1185 C TYR A 81 3.300 8.969 -0.176 1.00 0.00 C ATOM 1186 O TYR A 81 4.435 9.037 -0.649 1.00 0.00 O ATOM 1187 CB TYR A 81 1.911 6.930 0.237 1.00 0.00 C ATOM 1188 CG TYR A 81 2.372 6.280 -1.047 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.574 5.584 -1.103 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.608 6.363 -2.204 1.00 0.00 C ATOM 1191 CE1 TYR A 81 4.000 4.989 -2.275 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.026 5.771 -3.380 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.223 5.084 -3.410 1.00 0.00 C ATOM 1194 OH TYR A 81 3.643 4.494 -4.580 1.00 0.00 O ATOM 0 H TYR A 81 1.465 8.197 2.302 1.00 0.00 H new ATOM 0 HA TYR A 81 3.840 7.336 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.682 6.153 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.985 7.473 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.185 5.507 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.671 6.900 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.937 4.452 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.420 5.845 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 81 2.980 4.654 -5.283 1.00 0.00 H new ATOM 1204 N LYS A 82 2.328 9.811 -0.510 1.00 0.00 N ATOM 1205 CA LYS A 82 2.543 10.888 -1.469 1.00 0.00 C ATOM 1206 C LYS A 82 3.799 11.682 -1.124 1.00 0.00 C ATOM 1207 O LYS A 82 4.548 12.096 -2.009 1.00 0.00 O ATOM 1208 CB LYS A 82 1.331 11.821 -1.500 1.00 0.00 C ATOM 1209 CG LYS A 82 0.268 11.404 -2.503 1.00 0.00 C ATOM 1210 CD LYS A 82 -0.594 12.581 -2.924 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.181 12.375 -4.311 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.295 13.325 -4.590 1.00 0.00 N ATOM 0 H LYS A 82 1.382 9.768 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 82 2.676 10.441 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.886 11.858 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.666 12.831 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.746 10.969 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.362 10.629 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.400 12.719 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.003 13.493 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.399 12.503 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.545 11.352 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.668 13.152 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.053 13.186 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.942 14.301 -4.528 1.00 0.00 H new ATOM 1226 N LYS A 83 4.026 11.889 0.169 1.00 0.00 N ATOM 1227 CA LYS A 83 5.192 12.631 0.633 1.00 0.00 C ATOM 1228 C LYS A 83 6.482 11.972 0.153 1.00 0.00 C ATOM 1229 O LYS A 83 7.430 12.652 -0.240 1.00 0.00 O ATOM 1230 CB LYS A 83 5.190 12.722 2.161 1.00 0.00 C ATOM 1231 CG LYS A 83 6.066 13.838 2.704 1.00 0.00 C ATOM 1232 CD LYS A 83 5.273 15.118 2.910 1.00 0.00 C ATOM 1233 CE LYS A 83 5.401 16.049 1.715 1.00 0.00 C ATOM 1234 NZ LYS A 83 6.538 16.998 1.869 1.00 0.00 N ATOM 0 H LYS A 83 3.417 11.553 0.915 1.00 0.00 H new ATOM 0 HA LYS A 83 5.142 13.637 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.167 12.873 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.529 11.772 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.509 13.527 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.888 14.025 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.223 14.875 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.626 15.626 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.541 15.459 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.475 16.610 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.591 17.615 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.393 17.579 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.426 16.464 1.962 1.00 0.00 H new ATOM 1248 N LEU A 84 6.510 10.643 0.188 1.00 0.00 N ATOM 1249 CA LEU A 84 7.682 9.892 -0.245 1.00 0.00 C ATOM 1250 C LEU A 84 7.971 10.136 -1.723 1.00 0.00 C ATOM 1251 O LEU A 84 9.124 10.301 -2.120 1.00 0.00 O ATOM 1252 CB LEU A 84 7.476 8.398 0.007 1.00 0.00 C ATOM 1253 CG LEU A 84 7.124 8.000 1.442 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.747 6.528 1.511 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.287 8.299 2.377 1.00 0.00 C ATOM 0 H LEU A 84 5.734 10.065 0.512 1.00 0.00 H new ATOM 0 HA LEU A 84 8.538 10.237 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.682 8.045 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.386 7.873 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 84 6.264 8.589 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.500 6.263 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.884 6.343 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.587 5.921 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.020 8.010 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.164 7.736 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.511 9.365 2.350 1.00 0.00 H new ATOM 1267 N GLN A 85 6.916 10.157 -2.531 1.00 0.00 N ATOM 1268 CA GLN A 85 7.056 10.383 -3.964 1.00 0.00 C ATOM 1269 C GLN A 85 7.541 11.800 -4.247 1.00 0.00 C ATOM 1270 O GLN A 85 8.445 12.009 -5.056 1.00 0.00 O ATOM 1271 CB GLN A 85 5.724 10.134 -4.673 1.00 0.00 C ATOM 1272 CG GLN A 85 5.468 8.670 -4.993 1.00 0.00 C ATOM 1273 CD GLN A 85 6.018 8.263 -6.346 1.00 0.00 C ATOM 1274 OE1 GLN A 85 7.229 8.270 -6.564 1.00 0.00 O ATOM 1275 NE2 GLN A 85 5.127 7.904 -7.263 1.00 0.00 N ATOM 0 H GLN A 85 5.955 10.020 -2.217 1.00 0.00 H new ATOM 0 HA GLN A 85 7.799 9.683 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.914 10.507 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.702 10.709 -5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.920 8.049 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.395 8.479 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.132 7.913 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.438 7.619 -8.192 1.00 0.00 H new ATOM 1284 N PHE A 86 6.932 12.774 -3.577 1.00 0.00 N ATOM 1285 CA PHE A 86 7.301 14.173 -3.757 1.00 0.00 C ATOM 1286 C PHE A 86 8.790 14.380 -3.499 1.00 0.00 C ATOM 1287 O PHE A 86 9.476 15.047 -4.274 1.00 0.00 O ATOM 1288 CB PHE A 86 6.480 15.063 -2.822 1.00 0.00 C ATOM 1289 CG PHE A 86 6.748 16.530 -3.002 1.00 0.00 C ATOM 1290 CD1 PHE A 86 6.533 17.142 -4.226 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.217 17.296 -1.946 1.00 0.00 C ATOM 1292 CE1 PHE A 86 6.778 18.492 -4.395 1.00 0.00 C ATOM 1293 CE2 PHE A 86 7.464 18.647 -2.110 1.00 0.00 C ATOM 1294 CZ PHE A 86 7.245 19.245 -3.336 1.00 0.00 C ATOM 0 H PHE A 86 6.181 12.619 -2.905 1.00 0.00 H new ATOM 0 HA PHE A 86 7.088 14.450 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.420 14.872 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.694 14.787 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.170 16.557 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.391 16.833 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.604 18.957 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.828 19.234 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.439 20.300 -3.466 1.00 0.00 H new ATOM 1304 N GLU A 87 9.282 13.806 -2.406 1.00 0.00 N ATOM 1305 CA GLU A 87 10.689 13.930 -2.046 1.00 0.00 C ATOM 1306 C GLU A 87 11.584 13.719 -3.264 1.00 0.00 C ATOM 1307 O GLU A 87 12.408 14.570 -3.597 1.00 0.00 O ATOM 1308 CB GLU A 87 11.049 12.920 -0.954 1.00 0.00 C ATOM 1309 CG GLU A 87 10.524 13.297 0.421 1.00 0.00 C ATOM 1310 CD GLU A 87 10.617 12.155 1.414 1.00 0.00 C ATOM 1311 OE1 GLU A 87 11.724 11.602 1.580 1.00 0.00 O ATOM 1312 OE2 GLU A 87 9.582 11.813 2.025 1.00 0.00 O ATOM 0 H GLU A 87 8.727 13.251 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 87 10.853 14.939 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.652 11.943 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.133 12.822 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.088 14.150 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.485 13.615 0.335 1.00 0.00 H new ATOM 1319 N ARG A 88 11.415 12.578 -3.925 1.00 0.00 N ATOM 1320 CA ARG A 88 12.206 12.254 -5.105 1.00 0.00 C ATOM 1321 C ARG A 88 11.387 12.440 -6.378 1.00 0.00 C ATOM 1322 O ARG A 88 10.861 11.477 -6.937 1.00 0.00 O ATOM 1323 CB ARG A 88 12.720 10.815 -5.022 1.00 0.00 C ATOM 1324 CG ARG A 88 13.802 10.614 -3.974 1.00 0.00 C ATOM 1325 CD ARG A 88 13.204 10.353 -2.600 1.00 0.00 C ATOM 1326 NE ARG A 88 14.229 10.295 -1.560 1.00 0.00 N ATOM 1327 CZ ARG A 88 14.038 9.736 -0.371 1.00 0.00 C ATOM 1328 NH1 ARG A 88 12.869 9.189 -0.071 1.00 0.00 N ATOM 1329 NH2 ARG A 88 15.020 9.724 0.523 1.00 0.00 N ATOM 0 H ARG A 88 10.737 11.863 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 88 13.056 12.935 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.884 10.152 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.111 10.521 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.437 9.776 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.439 11.497 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.488 11.140 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.651 9.414 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 88 15.141 10.706 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.112 9.196 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.726 8.760 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.921 10.144 0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.873 9.294 1.436 1.00 0.00 H new ATOM 1343 N SER A 89 11.281 13.686 -6.832 1.00 0.00 N ATOM 1344 CA SER A 89 10.522 13.998 -8.037 1.00 0.00 C ATOM 1345 C SER A 89 10.705 15.462 -8.429 1.00 0.00 C ATOM 1346 O SER A 89 10.930 16.321 -7.578 1.00 0.00 O ATOM 1347 CB SER A 89 9.037 13.699 -7.821 1.00 0.00 C ATOM 1348 OG SER A 89 8.729 12.363 -8.181 1.00 0.00 O ATOM 0 H SER A 89 11.711 14.495 -6.383 1.00 0.00 H new ATOM 0 HA SER A 89 10.898 13.372 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.777 13.867 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.434 14.387 -8.414 1.00 0.00 H new ATOM 0 HG SER A 89 9.406 11.760 -7.809 1.00 0.00 H new ATOM 1354 N GLY A 90 10.607 15.736 -9.727 1.00 0.00 N ATOM 1355 CA GLY A 90 10.766 17.095 -10.211 1.00 0.00 C ATOM 1356 C GLY A 90 9.940 17.367 -11.453 1.00 0.00 C ATOM 1357 O GLY A 90 8.770 17.745 -11.377 1.00 0.00 O ATOM 0 H GLY A 90 10.421 15.042 -10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.477 17.794 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.818 17.279 -10.430 1.00 0.00 H new ATOM 1361 N PRO A 91 10.554 17.174 -12.629 1.00 0.00 N ATOM 1362 CA PRO A 91 9.887 17.398 -13.916 1.00 0.00 C ATOM 1363 C PRO A 91 8.808 16.357 -14.198 1.00 0.00 C ATOM 1364 O PRO A 91 7.767 16.669 -14.776 1.00 0.00 O ATOM 1365 CB PRO A 91 11.025 17.275 -14.932 1.00 0.00 C ATOM 1366 CG PRO A 91 12.038 16.411 -14.263 1.00 0.00 C ATOM 1367 CD PRO A 91 11.946 16.724 -12.796 1.00 0.00 C ATOM 0 HA PRO A 91 9.372 18.358 -13.946 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.677 16.829 -15.864 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.440 18.251 -15.182 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.836 15.356 -14.450 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.038 16.616 -14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.161 15.848 -12.184 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.656 17.498 -12.505 1.00 0.00 H new ATOM 1375 N SER A 92 9.062 15.120 -13.783 1.00 0.00 N ATOM 1376 CA SER A 92 8.114 14.032 -13.994 1.00 0.00 C ATOM 1377 C SER A 92 6.724 14.421 -13.499 1.00 0.00 C ATOM 1378 O SER A 92 6.578 15.301 -12.651 1.00 0.00 O ATOM 1379 CB SER A 92 8.589 12.768 -13.276 1.00 0.00 C ATOM 1380 OG SER A 92 9.731 12.219 -13.910 1.00 0.00 O ATOM 0 H SER A 92 9.917 14.846 -13.298 1.00 0.00 H new ATOM 0 HA SER A 92 8.057 13.833 -15.064 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.823 13.002 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.787 12.030 -13.263 1.00 0.00 H new ATOM 0 HG SER A 92 10.016 11.413 -13.431 1.00 0.00 H new ATOM 1386 N SER A 93 5.705 13.758 -14.036 1.00 0.00 N ATOM 1387 CA SER A 93 4.325 14.035 -13.654 1.00 0.00 C ATOM 1388 C SER A 93 4.137 13.874 -12.148 1.00 0.00 C ATOM 1389 O SER A 93 4.751 13.010 -11.523 1.00 0.00 O ATOM 1390 CB SER A 93 3.370 13.105 -14.402 1.00 0.00 C ATOM 1391 OG SER A 93 3.008 13.648 -15.659 1.00 0.00 O ATOM 0 H SER A 93 5.809 13.025 -14.737 1.00 0.00 H new ATOM 0 HA SER A 93 4.099 15.067 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.842 12.133 -14.545 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.475 12.940 -13.803 1.00 0.00 H new ATOM 0 HG SER A 93 2.398 13.033 -16.118 1.00 0.00 H new ATOM 1397 N GLY A 94 3.282 14.713 -11.572 1.00 0.00 N ATOM 1398 CA GLY A 94 3.026 14.648 -10.145 1.00 0.00 C ATOM 1399 C GLY A 94 4.077 15.380 -9.334 1.00 0.00 C ATOM 1400 O GLY A 94 3.831 15.682 -8.167 1.00 0.00 O ATOM 0 H GLY A 94 2.762 15.437 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.046 15.076 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.992 13.604 -9.832 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.906 -11.975 3.495 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 2.062 -10.445 -7.354 1.00 0.00 ZN