USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 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 52 SER OG : rot 180:sc= 0.00179 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5.1!) USER MOD Set 2.1: A 6 SER OG : rot -68:sc= -1.13 USER MOD Set 2.2: A 20 MET CE :methyl 153:sc= -0.645 (180deg=-0.146) 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 18:sc= 0.00356 USER MOD Single : A 5 SER OG : rot 38:sc= 0.057 USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= 0.273 (180deg=0) USER MOD Single : A 15 TYR OH : rot 26:sc= 0.758 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.157 X(o=-0.16,f=-0.12) USER MOD Single : A 27 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 32 THR OG1 : rot 75:sc=-0.00454 USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= 0.0265 (180deg=-2.15!) USER MOD Single : A 37 GLN : amide:sc= -1.93 K(o=-1.9,f=-9.7!) USER MOD Single : A 38 TYR OH : rot -168:sc= 1.01 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.103 (180deg=-0.584) USER MOD Single : A 49 THR OG1 : rot -160: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 65 GLN : amide:sc= -4.27! C(o=-4.3!,f=-3.9!) USER MOD Single : A 67 ASN : amide:sc= 0.769 K(o=0.77,f=-5.1!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -114:sc= -1.34! (180deg=-1.73!) USER MOD Single : A 78 MET CE :methyl -137:sc= -3.12! (180deg=-7.92!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) 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+ -144:sc= 0 (180deg=-0.0352) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 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 -20.486 -26.562 1.759 1.00 0.00 N ATOM 2 CA GLY A 1 -20.095 -26.223 0.403 1.00 0.00 C ATOM 3 C GLY A 1 -20.377 -24.773 0.064 1.00 0.00 C ATOM 4 O GLY A 1 -21.532 -24.351 0.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.273 -27.563 1.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.960 -25.968 2.431 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.506 -26.398 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.031 -26.423 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.627 -26.867 -0.297 1.00 0.00 H new ATOM 8 N SER A 2 -19.317 -24.007 -0.177 1.00 0.00 N ATOM 9 CA SER A 2 -19.456 -22.594 -0.510 1.00 0.00 C ATOM 10 C SER A 2 -18.907 -22.307 -1.904 1.00 0.00 C ATOM 11 O SER A 2 -18.083 -23.059 -2.425 1.00 0.00 O ATOM 12 CB SER A 2 -18.729 -21.731 0.524 1.00 0.00 C ATOM 13 OG SER A 2 -19.437 -21.701 1.751 1.00 0.00 O ATOM 0 H SER A 2 -18.354 -24.341 -0.148 1.00 0.00 H new ATOM 0 HA SER A 2 -20.517 -22.346 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.726 -22.123 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.616 -20.717 0.141 1.00 0.00 H new ATOM 0 HG SER A 2 -18.951 -21.145 2.395 1.00 0.00 H new ATOM 19 N SER A 3 -19.370 -21.214 -2.502 1.00 0.00 N ATOM 20 CA SER A 3 -18.929 -20.828 -3.838 1.00 0.00 C ATOM 21 C SER A 3 -18.728 -19.319 -3.928 1.00 0.00 C ATOM 22 O SER A 3 -19.654 -18.543 -3.697 1.00 0.00 O ATOM 23 CB SER A 3 -19.948 -21.282 -4.884 1.00 0.00 C ATOM 24 OG SER A 3 -19.792 -22.659 -5.184 1.00 0.00 O ATOM 0 H SER A 3 -20.050 -20.580 -2.083 1.00 0.00 H new ATOM 0 HA SER A 3 -17.975 -21.316 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.958 -21.099 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.828 -20.693 -5.793 1.00 0.00 H new ATOM 0 HG SER A 3 -19.272 -23.091 -4.475 1.00 0.00 H new ATOM 30 N GLY A 4 -17.509 -18.910 -4.269 1.00 0.00 N ATOM 31 CA GLY A 4 -17.207 -17.495 -4.384 1.00 0.00 C ATOM 32 C GLY A 4 -15.850 -17.143 -3.807 1.00 0.00 C ATOM 33 O GLY A 4 -15.122 -16.326 -4.370 1.00 0.00 O ATOM 0 H GLY A 4 -16.726 -19.533 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.238 -17.204 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.977 -16.919 -3.871 1.00 0.00 H new ATOM 37 N SER A 5 -15.510 -17.760 -2.679 1.00 0.00 N ATOM 38 CA SER A 5 -14.234 -17.503 -2.023 1.00 0.00 C ATOM 39 C SER A 5 -13.070 -17.782 -2.969 1.00 0.00 C ATOM 40 O SER A 5 -13.008 -18.835 -3.601 1.00 0.00 O ATOM 41 CB SER A 5 -14.102 -18.364 -0.765 1.00 0.00 C ATOM 42 OG SER A 5 -14.126 -19.743 -1.088 1.00 0.00 O ATOM 0 H SER A 5 -16.101 -18.441 -2.201 1.00 0.00 H new ATOM 0 HA SER A 5 -14.204 -16.451 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.171 -18.123 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.915 -18.134 -0.076 1.00 0.00 H new ATOM 0 HG SER A 5 -13.633 -19.892 -1.922 1.00 0.00 H new ATOM 48 N SER A 6 -12.149 -16.828 -3.060 1.00 0.00 N ATOM 49 CA SER A 6 -10.989 -16.967 -3.932 1.00 0.00 C ATOM 50 C SER A 6 -9.764 -17.412 -3.138 1.00 0.00 C ATOM 51 O SER A 6 -8.838 -18.009 -3.686 1.00 0.00 O ATOM 52 CB SER A 6 -10.696 -15.644 -4.643 1.00 0.00 C ATOM 53 OG SER A 6 -10.426 -14.612 -3.710 1.00 0.00 O ATOM 0 H SER A 6 -12.184 -15.951 -2.541 1.00 0.00 H new ATOM 0 HA SER A 6 -11.215 -17.729 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.843 -15.767 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.548 -15.364 -5.263 1.00 0.00 H new ATOM 0 HG SER A 6 -11.243 -14.399 -3.212 1.00 0.00 H new ATOM 59 N GLY A 7 -9.767 -17.116 -1.842 1.00 0.00 N ATOM 60 CA GLY A 7 -8.652 -17.493 -0.993 1.00 0.00 C ATOM 61 C GLY A 7 -7.564 -16.438 -0.962 1.00 0.00 C ATOM 62 O GLY A 7 -7.441 -15.636 -1.889 1.00 0.00 O ATOM 0 H GLY A 7 -10.521 -16.622 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.014 -17.667 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.231 -18.434 -1.348 1.00 0.00 H new ATOM 66 N CYS A 8 -6.772 -16.437 0.104 1.00 0.00 N ATOM 67 CA CYS A 8 -5.689 -15.471 0.253 1.00 0.00 C ATOM 68 C CYS A 8 -4.341 -16.178 0.356 1.00 0.00 C ATOM 69 O CYS A 8 -4.277 -17.392 0.549 1.00 0.00 O ATOM 70 CB CYS A 8 -5.919 -14.603 1.492 1.00 0.00 C ATOM 71 SG CYS A 8 -4.883 -13.105 1.552 1.00 0.00 S ATOM 0 H CYS A 8 -6.859 -17.095 0.879 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.679 -14.834 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.968 -14.308 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.726 -15.201 2.383 1.00 0.00 H new ATOM 76 N LYS A 9 -3.265 -15.409 0.227 1.00 0.00 N ATOM 77 CA LYS A 9 -1.917 -15.959 0.307 1.00 0.00 C ATOM 78 C LYS A 9 -1.280 -15.642 1.657 1.00 0.00 C ATOM 79 O LYS A 9 -0.589 -16.479 2.241 1.00 0.00 O ATOM 80 CB LYS A 9 -1.048 -15.400 -0.822 1.00 0.00 C ATOM 81 CG LYS A 9 -1.500 -15.832 -2.207 1.00 0.00 C ATOM 82 CD LYS A 9 -0.570 -15.304 -3.286 1.00 0.00 C ATOM 83 CE LYS A 9 -1.269 -15.227 -4.635 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.297 -15.194 -5.763 1.00 0.00 N ATOM 0 H LYS A 9 -3.300 -14.402 0.066 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.986 -17.042 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.055 -14.311 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.017 -15.720 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.535 -16.920 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.512 -15.472 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.209 -14.315 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.303 -15.951 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.930 -16.086 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.895 -14.335 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.533 -14.407 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.664 -15.061 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.343 -16.091 -6.287 1.00 0.00 H new ATOM 98 N LEU A 10 -1.516 -14.431 2.148 1.00 0.00 N ATOM 99 CA LEU A 10 -0.967 -14.004 3.430 1.00 0.00 C ATOM 100 C LEU A 10 -1.715 -14.656 4.588 1.00 0.00 C ATOM 101 O LEU A 10 -1.203 -15.569 5.238 1.00 0.00 O ATOM 102 CB LEU A 10 -1.036 -12.481 3.557 1.00 0.00 C ATOM 103 CG LEU A 10 -0.323 -11.684 2.464 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.878 -10.270 2.387 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.177 -11.658 2.716 1.00 0.00 C ATOM 0 H LEU A 10 -2.084 -13.727 1.678 1.00 0.00 H new ATOM 0 HA LEU A 10 0.076 -14.319 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.085 -12.185 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.613 -12.197 4.521 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.502 -12.175 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.359 -9.717 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.943 -10.309 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.730 -9.769 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.668 -11.087 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.376 -11.191 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.563 -12.677 2.719 1.00 0.00 H new ATOM 117 N CYS A 11 -2.932 -14.185 4.839 1.00 0.00 N ATOM 118 CA CYS A 11 -3.754 -14.723 5.917 1.00 0.00 C ATOM 119 C CYS A 11 -4.351 -16.072 5.525 1.00 0.00 C ATOM 120 O CYS A 11 -4.765 -16.853 6.382 1.00 0.00 O ATOM 121 CB CYS A 11 -4.872 -13.741 6.273 1.00 0.00 C ATOM 122 SG CYS A 11 -6.217 -13.670 5.046 1.00 0.00 S ATOM 0 H CYS A 11 -3.371 -13.431 4.310 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.116 -14.868 6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.291 -14.019 7.240 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.444 -12.745 6.385 1.00 0.00 H new ATOM 127 N LEU A 12 -4.392 -16.337 4.223 1.00 0.00 N ATOM 128 CA LEU A 12 -4.938 -17.591 3.716 1.00 0.00 C ATOM 129 C LEU A 12 -6.360 -17.812 4.226 1.00 0.00 C ATOM 130 O LEU A 12 -6.701 -18.898 4.693 1.00 0.00 O ATOM 131 CB LEU A 12 -4.048 -18.763 4.130 1.00 0.00 C ATOM 132 CG LEU A 12 -2.578 -18.666 3.723 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.696 -19.393 4.727 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.373 -19.228 2.323 1.00 0.00 C ATOM 0 H LEU A 12 -4.054 -15.701 3.501 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.967 -17.532 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.098 -18.866 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.463 -19.676 3.704 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.292 -17.614 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.653 -19.313 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.820 -18.944 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.982 -20.444 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.321 -19.150 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.677 -20.275 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.975 -18.662 1.612 1.00 0.00 H new ATOM 146 N GLY A 13 -7.185 -16.774 4.132 1.00 0.00 N ATOM 147 CA GLY A 13 -8.560 -16.876 4.586 1.00 0.00 C ATOM 148 C GLY A 13 -9.548 -16.910 3.438 1.00 0.00 C ATOM 149 O GLY A 13 -9.182 -16.665 2.289 1.00 0.00 O ATOM 0 H GLY A 13 -6.926 -15.864 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.675 -17.778 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.789 -16.030 5.234 1.00 0.00 H new ATOM 153 N GLU A 14 -10.805 -17.215 3.749 1.00 0.00 N ATOM 154 CA GLU A 14 -11.847 -17.282 2.732 1.00 0.00 C ATOM 155 C GLU A 14 -12.656 -15.988 2.697 1.00 0.00 C ATOM 156 O GLU A 14 -13.257 -15.592 3.695 1.00 0.00 O ATOM 157 CB GLU A 14 -12.775 -18.469 2.999 1.00 0.00 C ATOM 158 CG GLU A 14 -12.127 -19.818 2.740 1.00 0.00 C ATOM 159 CD GLU A 14 -13.031 -20.980 3.104 1.00 0.00 C ATOM 160 OE1 GLU A 14 -14.068 -21.157 2.432 1.00 0.00 O ATOM 161 OE2 GLU A 14 -12.702 -21.711 4.061 1.00 0.00 O ATOM 0 H GLU A 14 -11.125 -17.419 4.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.366 -17.417 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.112 -18.430 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.661 -18.375 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.856 -19.890 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.202 -19.889 3.313 1.00 0.00 H new ATOM 168 N TYR A 15 -12.666 -15.335 1.541 1.00 0.00 N ATOM 169 CA TYR A 15 -13.397 -14.085 1.375 1.00 0.00 C ATOM 170 C TYR A 15 -13.975 -13.974 -0.033 1.00 0.00 C ATOM 171 O TYR A 15 -13.440 -14.523 -0.996 1.00 0.00 O ATOM 172 CB TYR A 15 -12.482 -12.893 1.658 1.00 0.00 C ATOM 173 CG TYR A 15 -11.631 -13.063 2.895 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.384 -13.673 2.826 1.00 0.00 C ATOM 175 CD2 TYR A 15 -12.073 -12.616 4.135 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.603 -13.831 3.954 1.00 0.00 C ATOM 177 CE2 TYR A 15 -11.297 -12.769 5.267 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.064 -13.377 5.172 1.00 0.00 C ATOM 179 OH TYR A 15 -9.289 -13.533 6.299 1.00 0.00 O ATOM 0 H TYR A 15 -12.176 -15.651 0.704 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.221 -14.079 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.831 -12.734 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.091 -11.996 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.020 -14.030 1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.040 -12.141 4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.636 -14.308 3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.655 -12.414 6.222 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.344 -13.580 6.042 1.00 0.00 H new ATOM 189 N PRO A 16 -15.095 -13.246 -0.156 1.00 0.00 N ATOM 190 CA PRO A 16 -15.770 -13.044 -1.442 1.00 0.00 C ATOM 191 C PRO A 16 -14.969 -12.151 -2.384 1.00 0.00 C ATOM 192 O PRO A 16 -14.488 -11.089 -1.989 1.00 0.00 O ATOM 193 CB PRO A 16 -17.085 -12.365 -1.048 1.00 0.00 C ATOM 194 CG PRO A 16 -16.790 -11.691 0.246 1.00 0.00 C ATOM 195 CD PRO A 16 -15.788 -12.564 0.950 1.00 0.00 C ATOM 0 HA PRO A 16 -15.903 -13.980 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.402 -11.648 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.890 -13.092 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.389 -10.691 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.696 -11.578 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.098 -11.976 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.274 -13.274 1.619 1.00 0.00 H new ATOM 203 N VAL A 17 -14.832 -12.589 -3.631 1.00 0.00 N ATOM 204 CA VAL A 17 -14.090 -11.828 -4.630 1.00 0.00 C ATOM 205 C VAL A 17 -14.450 -10.348 -4.572 1.00 0.00 C ATOM 206 O VAL A 17 -13.597 -9.483 -4.768 1.00 0.00 O ATOM 207 CB VAL A 17 -14.358 -12.356 -6.051 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.963 -13.821 -6.160 1.00 0.00 C ATOM 209 CG2 VAL A 17 -15.820 -12.160 -6.424 1.00 0.00 C ATOM 0 H VAL A 17 -15.224 -13.466 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.032 -11.950 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.748 -11.787 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.160 -14.177 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.901 -13.929 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.544 -14.408 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.992 -12.539 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.451 -12.702 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.065 -11.099 -6.388 1.00 0.00 H new ATOM 219 N GLU A 18 -15.722 -10.064 -4.305 1.00 0.00 N ATOM 220 CA GLU A 18 -16.195 -8.687 -4.222 1.00 0.00 C ATOM 221 C GLU A 18 -15.313 -7.863 -3.290 1.00 0.00 C ATOM 222 O GLU A 18 -14.794 -6.816 -3.676 1.00 0.00 O ATOM 223 CB GLU A 18 -17.645 -8.652 -3.734 1.00 0.00 C ATOM 224 CG GLU A 18 -18.667 -8.734 -4.855 1.00 0.00 C ATOM 225 CD GLU A 18 -18.328 -7.827 -6.021 1.00 0.00 C ATOM 226 OE1 GLU A 18 -17.578 -8.268 -6.916 1.00 0.00 O ATOM 227 OE2 GLU A 18 -18.811 -6.676 -6.039 1.00 0.00 O ATOM 0 H GLU A 18 -16.442 -10.768 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.144 -8.252 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.807 -9.480 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.808 -7.733 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.732 -9.763 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.650 -8.467 -4.466 1.00 0.00 H new ATOM 234 N GLN A 19 -15.149 -8.344 -2.061 1.00 0.00 N ATOM 235 CA GLN A 19 -14.330 -7.651 -1.073 1.00 0.00 C ATOM 236 C GLN A 19 -12.858 -7.676 -1.472 1.00 0.00 C ATOM 237 O GLN A 19 -12.135 -6.701 -1.273 1.00 0.00 O ATOM 238 CB GLN A 19 -14.508 -8.288 0.306 1.00 0.00 C ATOM 239 CG GLN A 19 -15.716 -7.765 1.066 1.00 0.00 C ATOM 240 CD GLN A 19 -15.523 -7.807 2.569 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.365 -6.771 3.216 1.00 0.00 O ATOM 242 NE2 GLN A 19 -15.533 -9.009 3.134 1.00 0.00 N ATOM 0 H GLN A 19 -15.572 -9.210 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.658 -6.613 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.602 -9.368 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.611 -8.109 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.918 -6.739 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.592 -8.356 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.667 -9.841 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.407 -9.100 4.142 1.00 0.00 H new ATOM 251 N MET A 20 -12.422 -8.799 -2.034 1.00 0.00 N ATOM 252 CA MET A 20 -11.036 -8.950 -2.461 1.00 0.00 C ATOM 253 C MET A 20 -10.661 -7.880 -3.481 1.00 0.00 C ATOM 254 O MET A 20 -11.528 -7.204 -4.036 1.00 0.00 O ATOM 255 CB MET A 20 -10.812 -10.341 -3.058 1.00 0.00 C ATOM 256 CG MET A 20 -11.212 -11.473 -2.127 1.00 0.00 C ATOM 257 SD MET A 20 -9.956 -11.825 -0.882 1.00 0.00 S ATOM 258 CE MET A 20 -8.973 -13.058 -1.732 1.00 0.00 C ATOM 0 H MET A 20 -13.008 -9.617 -2.204 1.00 0.00 H new ATOM 0 HA MET A 20 -10.398 -8.831 -1.585 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.380 -10.426 -3.984 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.759 -10.450 -3.318 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.148 -11.217 -1.631 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.398 -12.372 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.951 -13.032 -1.354 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.399 -14.046 -1.558 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.970 -12.847 -2.801 1.00 0.00 H new ATOM 268 N THR A 21 -9.363 -7.730 -3.725 1.00 0.00 N ATOM 269 CA THR A 21 -8.873 -6.741 -4.677 1.00 0.00 C ATOM 270 C THR A 21 -7.855 -7.354 -5.632 1.00 0.00 C ATOM 271 O THR A 21 -6.795 -7.820 -5.211 1.00 0.00 O ATOM 272 CB THR A 21 -8.229 -5.540 -3.959 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.081 -5.086 -2.902 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.971 -4.400 -4.934 1.00 0.00 C ATOM 0 H THR A 21 -8.632 -8.281 -3.276 1.00 0.00 H new ATOM 0 HA THR A 21 -9.737 -6.394 -5.245 1.00 0.00 H new ATOM 0 HB THR A 21 -7.275 -5.864 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.663 -4.324 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.516 -3.564 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.298 -4.740 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.914 -4.079 -5.376 1.00 0.00 H new ATOM 282 N THR A 22 -8.182 -7.349 -6.921 1.00 0.00 N ATOM 283 CA THR A 22 -7.295 -7.905 -7.935 1.00 0.00 C ATOM 284 C THR A 22 -6.351 -6.841 -8.484 1.00 0.00 C ATOM 285 O THR A 22 -6.760 -5.708 -8.742 1.00 0.00 O ATOM 286 CB THR A 22 -8.092 -8.517 -9.103 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.966 -9.542 -8.615 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.156 -9.099 -10.151 1.00 0.00 C ATOM 0 H THR A 22 -9.054 -6.966 -7.287 1.00 0.00 H new ATOM 0 HA THR A 22 -6.713 -8.689 -7.450 1.00 0.00 H new ATOM 0 HB THR A 22 -8.682 -7.726 -9.565 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.470 -9.925 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.742 -9.525 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.512 -8.311 -10.541 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.543 -9.878 -9.699 1.00 0.00 H new ATOM 296 N ILE A 23 -5.087 -7.212 -8.660 1.00 0.00 N ATOM 297 CA ILE A 23 -4.086 -6.289 -9.180 1.00 0.00 C ATOM 298 C ILE A 23 -3.985 -6.386 -10.698 1.00 0.00 C ATOM 299 O ILE A 23 -3.869 -7.477 -11.255 1.00 0.00 O ATOM 300 CB ILE A 23 -2.699 -6.558 -8.565 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.784 -6.547 -7.037 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.694 -5.527 -9.054 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.532 -7.059 -6.360 1.00 0.00 C ATOM 0 H ILE A 23 -4.732 -8.145 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.408 -5.285 -8.904 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.361 -7.544 -8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.980 -5.529 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.632 -7.156 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.719 -5.730 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.617 -5.580 -10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.024 -4.530 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.663 -7.023 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.346 -8.088 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.684 -6.436 -6.644 1.00 0.00 H new ATOM 315 N ALA A 24 -4.026 -5.236 -11.363 1.00 0.00 N ATOM 316 CA ALA A 24 -3.936 -5.190 -12.817 1.00 0.00 C ATOM 317 C ALA A 24 -2.481 -5.151 -13.275 1.00 0.00 C ATOM 318 O ALA A 24 -2.173 -4.627 -14.345 1.00 0.00 O ATOM 319 CB ALA A 24 -4.693 -3.986 -13.355 1.00 0.00 C ATOM 0 H ALA A 24 -4.121 -4.323 -10.917 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.391 -6.098 -13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.617 -3.965 -14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.742 -4.057 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.264 -3.073 -12.943 1.00 0.00 H new ATOM 325 N GLN A 25 -1.594 -5.708 -12.458 1.00 0.00 N ATOM 326 CA GLN A 25 -0.171 -5.734 -12.780 1.00 0.00 C ATOM 327 C GLN A 25 0.339 -7.169 -12.870 1.00 0.00 C ATOM 328 O GLN A 25 1.010 -7.540 -13.834 1.00 0.00 O ATOM 329 CB GLN A 25 0.626 -4.963 -11.727 1.00 0.00 C ATOM 330 CG GLN A 25 0.736 -3.475 -12.017 1.00 0.00 C ATOM 331 CD GLN A 25 1.629 -3.176 -13.205 1.00 0.00 C ATOM 332 OE1 GLN A 25 2.855 -3.206 -13.098 1.00 0.00 O ATOM 333 NE2 GLN A 25 1.017 -2.886 -14.347 1.00 0.00 N ATOM 0 H GLN A 25 -1.834 -6.147 -11.569 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.034 -5.256 -13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.155 -5.101 -10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.628 -5.387 -11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.259 -3.071 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.127 -2.965 -11.136 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.002 -2.873 -14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.566 -2.677 -15.181 1.00 0.00 H new ATOM 342 N CYS A 26 0.018 -7.971 -11.862 1.00 0.00 N ATOM 343 CA CYS A 26 0.444 -9.365 -11.828 1.00 0.00 C ATOM 344 C CYS A 26 -0.741 -10.290 -11.564 1.00 0.00 C ATOM 345 O CYS A 26 -0.578 -11.385 -11.026 1.00 0.00 O ATOM 346 CB CYS A 26 1.512 -9.567 -10.750 1.00 0.00 C ATOM 347 SG CYS A 26 1.030 -8.959 -9.102 1.00 0.00 S ATOM 0 H CYS A 26 -0.536 -7.680 -11.057 1.00 0.00 H new ATOM 0 HA CYS A 26 0.867 -9.614 -12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.745 -10.629 -10.680 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.426 -9.060 -11.060 1.00 0.00 H new ATOM 352 N GLN A 27 -1.931 -9.841 -11.946 1.00 0.00 N ATOM 353 CA GLN A 27 -3.143 -10.628 -11.751 1.00 0.00 C ATOM 354 C GLN A 27 -3.123 -11.332 -10.398 1.00 0.00 C ATOM 355 O GLN A 27 -3.401 -12.527 -10.305 1.00 0.00 O ATOM 356 CB GLN A 27 -3.294 -11.657 -12.872 1.00 0.00 C ATOM 357 CG GLN A 27 -3.939 -11.096 -14.130 1.00 0.00 C ATOM 358 CD GLN A 27 -5.375 -10.666 -13.907 1.00 0.00 C ATOM 359 OE1 GLN A 27 -6.241 -11.486 -13.602 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.636 -9.373 -14.060 1.00 0.00 N ATOM 0 H GLN A 27 -2.083 -8.936 -12.392 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.995 -9.948 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.311 -12.054 -13.124 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.892 -12.493 -12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.359 -10.243 -14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.907 -11.849 -14.917 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.887 -8.728 -14.313 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.585 -9.025 -13.924 1.00 0.00 H new ATOM 369 N CYS A 28 -2.792 -10.582 -9.352 1.00 0.00 N ATOM 370 CA CYS A 28 -2.734 -11.133 -8.004 1.00 0.00 C ATOM 371 C CYS A 28 -3.871 -10.589 -7.144 1.00 0.00 C ATOM 372 O CYS A 28 -4.077 -9.378 -7.065 1.00 0.00 O ATOM 373 CB CYS A 28 -1.388 -10.808 -7.354 1.00 0.00 C ATOM 374 SG CYS A 28 0.000 -11.810 -7.976 1.00 0.00 S ATOM 0 H CYS A 28 -2.560 -9.591 -9.413 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.843 -12.215 -8.077 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.163 -9.754 -7.517 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.472 -10.953 -6.277 1.00 0.00 H new ATOM 379 N ILE A 29 -4.605 -11.492 -6.502 1.00 0.00 N ATOM 380 CA ILE A 29 -5.720 -11.102 -5.647 1.00 0.00 C ATOM 381 C ILE A 29 -5.320 -11.129 -4.176 1.00 0.00 C ATOM 382 O ILE A 29 -4.544 -11.984 -3.748 1.00 0.00 O ATOM 383 CB ILE A 29 -6.937 -12.023 -5.855 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.220 -11.313 -5.420 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.756 -13.321 -5.082 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.474 -12.117 -5.685 1.00 0.00 C ATOM 0 H ILE A 29 -4.448 -12.498 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.993 -10.085 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.017 -12.262 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.159 -11.090 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.293 -10.359 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.624 -13.962 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.860 -13.832 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.655 -13.101 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.345 -11.553 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.559 -12.318 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.423 -13.060 -5.141 1.00 0.00 H new ATOM 398 N PHE A 30 -5.857 -10.189 -3.405 1.00 0.00 N ATOM 399 CA PHE A 30 -5.558 -10.106 -1.981 1.00 0.00 C ATOM 400 C PHE A 30 -6.709 -9.453 -1.221 1.00 0.00 C ATOM 401 O PHE A 30 -7.245 -8.429 -1.642 1.00 0.00 O ATOM 402 CB PHE A 30 -4.269 -9.314 -1.755 1.00 0.00 C ATOM 403 CG PHE A 30 -3.054 -9.959 -2.357 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.539 -11.129 -1.823 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.429 -9.397 -3.459 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.421 -11.727 -2.375 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.312 -9.990 -4.016 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.806 -11.156 -3.473 1.00 0.00 C ATOM 0 H PHE A 30 -6.501 -9.474 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.425 -11.120 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.387 -8.316 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.111 -9.191 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.016 -11.579 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.819 -8.486 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.029 -12.639 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.835 -9.543 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.068 -11.620 -3.906 1.00 0.00 H new ATOM 418 N CYS A 31 -7.084 -10.055 -0.097 1.00 0.00 N ATOM 419 CA CYS A 31 -8.172 -9.536 0.723 1.00 0.00 C ATOM 420 C CYS A 31 -7.869 -8.116 1.192 1.00 0.00 C ATOM 421 O CYS A 31 -6.782 -7.836 1.700 1.00 0.00 O ATOM 422 CB CYS A 31 -8.406 -10.445 1.932 1.00 0.00 C ATOM 423 SG CYS A 31 -7.152 -10.280 3.241 1.00 0.00 S ATOM 0 H CYS A 31 -6.650 -10.903 0.267 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.075 -9.514 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.387 -10.225 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.429 -11.481 1.595 1.00 0.00 H new ATOM 428 N THR A 32 -8.838 -7.222 1.020 1.00 0.00 N ATOM 429 CA THR A 32 -8.675 -5.832 1.426 1.00 0.00 C ATOM 430 C THR A 32 -7.787 -5.719 2.658 1.00 0.00 C ATOM 431 O THR A 32 -6.705 -5.131 2.606 1.00 0.00 O ATOM 432 CB THR A 32 -10.035 -5.171 1.723 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.914 -5.336 0.605 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.861 -3.690 2.024 1.00 0.00 C ATOM 0 H THR A 32 -9.744 -7.436 0.602 1.00 0.00 H new ATOM 0 HA THR A 32 -8.201 -5.313 0.593 1.00 0.00 H new ATOM 0 HB THR A 32 -10.467 -5.656 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.233 -6.262 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.834 -3.244 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.214 -3.569 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.410 -3.195 1.164 1.00 0.00 H new ATOM 442 N LEU A 33 -8.248 -6.283 3.768 1.00 0.00 N ATOM 443 CA LEU A 33 -7.495 -6.246 5.017 1.00 0.00 C ATOM 444 C LEU A 33 -5.996 -6.336 4.750 1.00 0.00 C ATOM 445 O LEU A 33 -5.261 -5.367 4.942 1.00 0.00 O ATOM 446 CB LEU A 33 -7.932 -7.390 5.933 1.00 0.00 C ATOM 447 CG LEU A 33 -9.243 -7.180 6.692 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.764 -8.501 7.234 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.051 -6.177 7.820 1.00 0.00 C ATOM 0 H LEU A 33 -9.141 -6.772 3.829 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.701 -5.296 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.024 -8.295 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.140 -7.570 6.660 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.982 -6.779 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.697 -8.331 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.941 -9.189 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.028 -8.931 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.994 -6.040 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.297 -6.549 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.725 -5.223 7.407 1.00 0.00 H new ATOM 461 N CYS A 34 -5.548 -7.506 4.306 1.00 0.00 N ATOM 462 CA CYS A 34 -4.138 -7.724 4.011 1.00 0.00 C ATOM 463 C CYS A 34 -3.604 -6.640 3.077 1.00 0.00 C ATOM 464 O CYS A 34 -2.876 -5.743 3.503 1.00 0.00 O ATOM 465 CB CYS A 34 -3.933 -9.102 3.380 1.00 0.00 C ATOM 466 SG CYS A 34 -4.229 -10.493 4.520 1.00 0.00 S ATOM 0 H CYS A 34 -6.143 -8.318 4.143 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.585 -7.676 4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.599 -9.200 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.913 -9.168 3.000 1.00 0.00 H new ATOM 471 N LEU A 35 -3.970 -6.732 1.804 1.00 0.00 N ATOM 472 CA LEU A 35 -3.529 -5.761 0.809 1.00 0.00 C ATOM 473 C LEU A 35 -3.416 -4.367 1.421 1.00 0.00 C ATOM 474 O LEU A 35 -2.517 -3.599 1.079 1.00 0.00 O ATOM 475 CB LEU A 35 -4.502 -5.733 -0.372 1.00 0.00 C ATOM 476 CG LEU A 35 -3.871 -5.580 -1.757 1.00 0.00 C ATOM 477 CD1 LEU A 35 -4.921 -5.751 -2.843 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.184 -4.229 -1.884 1.00 0.00 C ATOM 0 H LEU A 35 -4.571 -7.469 1.436 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.544 -6.064 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.084 -6.654 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.202 -4.912 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.119 -6.360 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.454 -5.639 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.367 -6.743 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.696 -4.994 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.741 -4.138 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.915 -3.434 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.403 -4.146 -1.128 1.00 0.00 H new ATOM 490 N LYS A 36 -4.333 -4.049 2.329 1.00 0.00 N ATOM 491 CA LYS A 36 -4.335 -2.751 2.992 1.00 0.00 C ATOM 492 C LYS A 36 -3.170 -2.638 3.971 1.00 0.00 C ATOM 493 O LYS A 36 -2.354 -1.722 3.874 1.00 0.00 O ATOM 494 CB LYS A 36 -5.658 -2.535 3.730 1.00 0.00 C ATOM 495 CG LYS A 36 -5.880 -1.098 4.171 1.00 0.00 C ATOM 496 CD LYS A 36 -7.194 -0.940 4.918 1.00 0.00 C ATOM 497 CE LYS A 36 -7.015 -1.157 6.412 1.00 0.00 C ATOM 498 NZ LYS A 36 -6.470 0.053 7.086 1.00 0.00 N ATOM 0 H LYS A 36 -5.085 -4.673 2.622 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.221 -1.981 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.480 -2.839 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.686 -3.184 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.056 -0.782 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.875 -0.444 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.597 0.057 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.922 -1.653 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.974 -1.421 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.344 -1.999 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.636 -0.209 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.197 0.756 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.196 0.459 7.710 1.00 0.00 H new ATOM 512 N GLN A 37 -3.100 -3.575 4.910 1.00 0.00 N ATOM 513 CA GLN A 37 -2.034 -3.580 5.905 1.00 0.00 C ATOM 514 C GLN A 37 -0.665 -3.592 5.235 1.00 0.00 C ATOM 515 O GLN A 37 0.295 -3.019 5.752 1.00 0.00 O ATOM 516 CB GLN A 37 -2.175 -4.792 6.828 1.00 0.00 C ATOM 517 CG GLN A 37 -3.046 -4.532 8.047 1.00 0.00 C ATOM 518 CD GLN A 37 -4.348 -3.838 7.695 1.00 0.00 C ATOM 519 OE1 GLN A 37 -4.356 -2.673 7.297 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.458 -4.552 7.840 1.00 0.00 N ATOM 0 H GLN A 37 -3.768 -4.340 5.003 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.120 -2.669 6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.596 -5.622 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.184 -5.103 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.265 -5.478 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.494 -3.920 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.405 -5.515 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.363 -4.138 7.618 1.00 0.00 H new ATOM 529 N TYR A 38 -0.580 -4.249 4.085 1.00 0.00 N ATOM 530 CA TYR A 38 0.674 -4.338 3.345 1.00 0.00 C ATOM 531 C TYR A 38 1.109 -2.965 2.844 1.00 0.00 C ATOM 532 O TYR A 38 2.161 -2.456 3.230 1.00 0.00 O ATOM 533 CB TYR A 38 0.527 -5.301 2.165 1.00 0.00 C ATOM 534 CG TYR A 38 1.680 -5.243 1.189 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.939 -5.715 1.541 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.512 -4.715 -0.085 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.996 -5.663 0.653 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.562 -4.660 -0.980 1.00 0.00 C ATOM 539 CZ TYR A 38 3.802 -5.135 -0.607 1.00 0.00 C ATOM 540 OH TYR A 38 4.851 -5.081 -1.495 1.00 0.00 O ATOM 0 H TYR A 38 -1.365 -4.729 3.644 1.00 0.00 H new ATOM 0 HA TYR A 38 1.440 -4.717 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.435 -6.318 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.398 -5.075 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.094 -6.130 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.543 -4.341 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.968 -6.033 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.413 -4.247 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 38 4.606 -4.516 -2.257 1.00 0.00 H new ATOM 550 N VAL A 39 0.291 -2.370 1.981 1.00 0.00 N ATOM 551 CA VAL A 39 0.591 -1.055 1.427 1.00 0.00 C ATOM 552 C VAL A 39 0.692 -0.006 2.528 1.00 0.00 C ATOM 553 O VAL A 39 1.470 0.943 2.423 1.00 0.00 O ATOM 554 CB VAL A 39 -0.482 -0.617 0.412 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.673 -1.681 -0.658 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.796 -0.321 1.120 1.00 0.00 C ATOM 0 H VAL A 39 -0.584 -2.778 1.651 1.00 0.00 H new ATOM 0 HA VAL A 39 1.551 -1.136 0.918 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.143 0.297 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.435 -1.353 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.268 -1.840 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.989 -2.614 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.542 -0.013 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.141 -1.217 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.647 0.480 1.845 1.00 0.00 H new ATOM 566 N GLU A 40 -0.098 -0.183 3.582 1.00 0.00 N ATOM 567 CA GLU A 40 -0.097 0.750 4.702 1.00 0.00 C ATOM 568 C GLU A 40 1.254 0.745 5.412 1.00 0.00 C ATOM 569 O GLU A 40 1.936 1.769 5.481 1.00 0.00 O ATOM 570 CB GLU A 40 -1.207 0.394 5.693 1.00 0.00 C ATOM 571 CG GLU A 40 -2.515 1.121 5.428 1.00 0.00 C ATOM 572 CD GLU A 40 -3.513 0.955 6.556 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.502 -0.112 7.206 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.307 1.891 6.790 1.00 0.00 O ATOM 0 H GLU A 40 -0.747 -0.964 3.684 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.279 1.750 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.384 -0.681 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.870 0.627 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.313 2.182 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.953 0.747 4.502 1.00 0.00 H new ATOM 581 N LEU A 41 1.634 -0.413 5.939 1.00 0.00 N ATOM 582 CA LEU A 41 2.904 -0.553 6.646 1.00 0.00 C ATOM 583 C LEU A 41 4.049 0.036 5.829 1.00 0.00 C ATOM 584 O LEU A 41 4.864 0.803 6.344 1.00 0.00 O ATOM 585 CB LEU A 41 3.182 -2.026 6.948 1.00 0.00 C ATOM 586 CG LEU A 41 2.689 -2.539 8.301 1.00 0.00 C ATOM 587 CD1 LEU A 41 1.253 -3.032 8.195 1.00 0.00 C ATOM 588 CD2 LEU A 41 3.598 -3.645 8.816 1.00 0.00 C ATOM 0 H LEU A 41 1.082 -1.269 5.891 1.00 0.00 H new ATOM 0 HA LEU A 41 2.832 -0.004 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.724 -2.629 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.258 -2.191 6.890 1.00 0.00 H new ATOM 0 HG LEU A 41 2.716 -1.713 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.920 -3.393 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.610 -2.213 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.199 -3.843 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.232 -3.998 9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.604 -4.472 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.611 -3.259 8.932 1.00 0.00 H new ATOM 600 N LEU A 42 4.104 -0.326 4.551 1.00 0.00 N ATOM 601 CA LEU A 42 5.148 0.169 3.661 1.00 0.00 C ATOM 602 C LEU A 42 5.214 1.692 3.690 1.00 0.00 C ATOM 603 O LEU A 42 6.297 2.277 3.698 1.00 0.00 O ATOM 604 CB LEU A 42 4.899 -0.314 2.231 1.00 0.00 C ATOM 605 CG LEU A 42 5.530 -1.655 1.856 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.130 -2.057 0.445 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.045 -1.585 1.982 1.00 0.00 C ATOM 0 H LEU A 42 3.438 -0.960 4.109 1.00 0.00 H new ATOM 0 HA LEU A 42 6.103 -0.224 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.823 -0.386 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.271 0.445 1.543 1.00 0.00 H new ATOM 0 HG LEU A 42 5.162 -2.414 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.589 -3.014 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.045 -2.148 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.469 -1.298 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.478 -2.548 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.430 -0.814 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.314 -1.343 3.010 1.00 0.00 H new ATOM 619 N ILE A 43 4.047 2.329 3.708 1.00 0.00 N ATOM 620 CA ILE A 43 3.972 3.784 3.741 1.00 0.00 C ATOM 621 C ILE A 43 4.347 4.324 5.118 1.00 0.00 C ATOM 622 O ILE A 43 5.124 5.271 5.235 1.00 0.00 O ATOM 623 CB ILE A 43 2.562 4.284 3.373 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.177 3.803 1.972 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.501 5.802 3.452 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.685 3.784 1.730 1.00 0.00 C ATOM 0 H ILE A 43 3.141 1.860 3.700 1.00 0.00 H new ATOM 0 HA ILE A 43 4.684 4.153 3.003 1.00 0.00 H new ATOM 0 HB ILE A 43 1.849 3.873 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.649 4.449 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.575 2.800 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.499 6.140 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.738 6.123 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.223 6.232 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.485 3.433 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.209 3.115 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.284 4.790 1.851 1.00 0.00 H new ATOM 638 N LYS A 44 3.789 3.713 6.157 1.00 0.00 N ATOM 639 CA LYS A 44 4.067 4.128 7.528 1.00 0.00 C ATOM 640 C LYS A 44 5.569 4.245 7.768 1.00 0.00 C ATOM 641 O LYS A 44 6.038 5.220 8.353 1.00 0.00 O ATOM 642 CB LYS A 44 3.456 3.132 8.517 1.00 0.00 C ATOM 643 CG LYS A 44 1.953 3.278 8.677 1.00 0.00 C ATOM 644 CD LYS A 44 1.603 4.292 9.753 1.00 0.00 C ATOM 645 CE LYS A 44 1.478 3.634 11.119 1.00 0.00 C ATOM 646 NZ LYS A 44 0.340 2.674 11.171 1.00 0.00 N ATOM 0 H LYS A 44 3.142 2.929 6.077 1.00 0.00 H new ATOM 0 HA LYS A 44 3.616 5.108 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.681 2.119 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.931 3.261 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.513 3.586 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.518 2.312 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.370 5.065 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.665 4.785 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.405 3.112 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.341 4.402 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.006 2.584 12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.436 3.022 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.654 1.745 10.826 1.00 0.00 H new ATOM 660 N GLU A 45 6.315 3.244 7.312 1.00 0.00 N ATOM 661 CA GLU A 45 7.764 3.237 7.479 1.00 0.00 C ATOM 662 C GLU A 45 8.394 4.459 6.816 1.00 0.00 C ATOM 663 O GLU A 45 8.917 5.343 7.492 1.00 0.00 O ATOM 664 CB GLU A 45 8.361 1.958 6.886 1.00 0.00 C ATOM 665 CG GLU A 45 9.831 1.763 7.215 1.00 0.00 C ATOM 666 CD GLU A 45 10.072 1.526 8.693 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.031 2.506 9.466 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.300 0.359 9.077 1.00 0.00 O ATOM 0 H GLU A 45 5.941 2.429 6.825 1.00 0.00 H new ATOM 0 HA GLU A 45 7.981 3.271 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.798 1.100 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.239 1.979 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.217 0.916 6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.391 2.642 6.896 1.00 0.00 H new ATOM 675 N GLY A 46 8.340 4.499 5.488 1.00 0.00 N ATOM 676 CA GLY A 46 8.908 5.616 4.756 1.00 0.00 C ATOM 677 C GLY A 46 10.037 5.191 3.837 1.00 0.00 C ATOM 678 O GLY A 46 10.003 5.459 2.636 1.00 0.00 O ATOM 0 H GLY A 46 7.913 3.778 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.126 6.097 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.278 6.359 5.462 1.00 0.00 H new ATOM 682 N LEU A 47 11.040 4.529 4.402 1.00 0.00 N ATOM 683 CA LEU A 47 12.187 4.069 3.626 1.00 0.00 C ATOM 684 C LEU A 47 11.750 3.576 2.251 1.00 0.00 C ATOM 685 O LEU A 47 12.180 4.104 1.225 1.00 0.00 O ATOM 686 CB LEU A 47 12.917 2.951 4.372 1.00 0.00 C ATOM 687 CG LEU A 47 13.930 2.148 3.554 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.055 3.047 3.067 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.485 0.995 4.377 1.00 0.00 C ATOM 0 H LEU A 47 11.083 4.298 5.395 1.00 0.00 H new ATOM 0 HA LEU A 47 12.866 4.911 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.435 3.389 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.173 2.261 4.770 1.00 0.00 H new ATOM 0 HG LEU A 47 13.420 1.735 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.766 2.458 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.643 3.838 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.564 3.490 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.204 0.434 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.979 1.387 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.670 0.336 4.676 1.00 0.00 H new ATOM 701 N GLU A 48 10.890 2.562 2.236 1.00 0.00 N ATOM 702 CA GLU A 48 10.393 1.999 0.985 1.00 0.00 C ATOM 703 C GLU A 48 9.219 2.815 0.450 1.00 0.00 C ATOM 704 O GLU A 48 8.136 2.823 1.036 1.00 0.00 O ATOM 705 CB GLU A 48 9.968 0.544 1.188 1.00 0.00 C ATOM 706 CG GLU A 48 11.106 -0.451 1.027 1.00 0.00 C ATOM 707 CD GLU A 48 10.749 -1.832 1.541 1.00 0.00 C ATOM 708 OE1 GLU A 48 10.666 -2.003 2.776 1.00 0.00 O ATOM 709 OE2 GLU A 48 10.554 -2.743 0.708 1.00 0.00 O ATOM 0 H GLU A 48 10.523 2.114 3.075 1.00 0.00 H new ATOM 0 HA GLU A 48 11.201 2.034 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.540 0.435 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.181 0.301 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.379 -0.518 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.983 -0.084 1.560 1.00 0.00 H new ATOM 716 N THR A 49 9.442 3.500 -0.666 1.00 0.00 N ATOM 717 CA THR A 49 8.405 4.320 -1.281 1.00 0.00 C ATOM 718 C THR A 49 7.510 3.484 -2.188 1.00 0.00 C ATOM 719 O THR A 49 6.288 3.486 -2.044 1.00 0.00 O ATOM 720 CB THR A 49 9.012 5.474 -2.098 1.00 0.00 C ATOM 721 OG1 THR A 49 9.938 6.211 -1.293 1.00 0.00 O ATOM 722 CG2 THR A 49 7.924 6.406 -2.609 1.00 0.00 C ATOM 0 H THR A 49 10.332 3.504 -1.164 1.00 0.00 H new ATOM 0 HA THR A 49 7.808 4.736 -0.470 1.00 0.00 H new ATOM 0 HB THR A 49 9.535 5.047 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.077 7.099 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.377 7.214 -3.184 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.237 5.849 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.377 6.824 -1.764 1.00 0.00 H new ATOM 730 N ALA A 50 8.127 2.769 -3.124 1.00 0.00 N ATOM 731 CA ALA A 50 7.385 1.926 -4.055 1.00 0.00 C ATOM 732 C ALA A 50 6.699 0.777 -3.326 1.00 0.00 C ATOM 733 O ALA A 50 7.228 0.244 -2.351 1.00 0.00 O ATOM 734 CB ALA A 50 8.313 1.391 -5.135 1.00 0.00 C ATOM 0 H ALA A 50 9.138 2.757 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 50 6.613 2.536 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.747 0.763 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.753 2.225 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.105 0.801 -4.674 1.00 0.00 H new ATOM 740 N ILE A 51 5.518 0.400 -3.805 1.00 0.00 N ATOM 741 CA ILE A 51 4.760 -0.687 -3.198 1.00 0.00 C ATOM 742 C ILE A 51 4.591 -1.849 -4.171 1.00 0.00 C ATOM 743 O ILE A 51 3.581 -1.948 -4.867 1.00 0.00 O ATOM 744 CB ILE A 51 3.369 -0.214 -2.736 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.502 0.973 -1.781 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.616 -1.355 -2.069 1.00 0.00 C ATOM 747 CD1 ILE A 51 2.177 1.473 -1.250 1.00 0.00 C ATOM 0 H ILE A 51 5.066 0.831 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 51 5.328 -1.022 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 51 2.802 0.108 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.135 0.685 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.009 1.789 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.635 -1.005 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.495 -2.174 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.178 -1.704 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.348 2.315 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.549 1.793 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.677 0.672 -0.706 1.00 0.00 H new ATOM 759 N SER A 52 5.588 -2.728 -4.213 1.00 0.00 N ATOM 760 CA SER A 52 5.552 -3.884 -5.102 1.00 0.00 C ATOM 761 C SER A 52 4.521 -4.903 -4.625 1.00 0.00 C ATOM 762 O SER A 52 3.795 -4.665 -3.661 1.00 0.00 O ATOM 763 CB SER A 52 6.933 -4.536 -5.182 1.00 0.00 C ATOM 764 OG SER A 52 7.132 -5.158 -6.439 1.00 0.00 O ATOM 0 H SER A 52 6.430 -2.662 -3.642 1.00 0.00 H new ATOM 0 HA SER A 52 5.264 -3.540 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.704 -3.783 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.036 -5.275 -4.387 1.00 0.00 H new ATOM 0 HG SER A 52 8.023 -5.566 -6.465 1.00 0.00 H new ATOM 770 N CYS A 53 4.464 -6.041 -5.310 1.00 0.00 N ATOM 771 CA CYS A 53 3.524 -7.099 -4.959 1.00 0.00 C ATOM 772 C CYS A 53 3.809 -7.638 -3.561 1.00 0.00 C ATOM 773 O CYS A 53 4.955 -7.888 -3.187 1.00 0.00 O ATOM 774 CB CYS A 53 3.598 -8.234 -5.982 1.00 0.00 C ATOM 775 SG CYS A 53 2.404 -9.579 -5.686 1.00 0.00 S ATOM 0 H CYS A 53 5.058 -6.254 -6.111 1.00 0.00 H new ATOM 0 HA CYS A 53 2.519 -6.677 -4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.428 -7.824 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.606 -8.649 -5.976 1.00 0.00 H new ATOM 780 N PRO A 54 2.742 -7.823 -2.770 1.00 0.00 N ATOM 781 CA PRO A 54 2.853 -8.337 -1.400 1.00 0.00 C ATOM 782 C PRO A 54 3.257 -9.805 -1.362 1.00 0.00 C ATOM 783 O PRO A 54 3.392 -10.395 -0.290 1.00 0.00 O ATOM 784 CB PRO A 54 1.439 -8.157 -0.840 1.00 0.00 C ATOM 785 CG PRO A 54 0.552 -8.171 -2.037 1.00 0.00 C ATOM 786 CD PRO A 54 1.347 -7.546 -3.150 1.00 0.00 C ATOM 0 HA PRO A 54 3.623 -7.817 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.182 -8.959 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.347 -7.220 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.257 -9.189 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.364 -7.611 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.099 -7.985 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.157 -6.476 -3.228 1.00 0.00 H new ATOM 794 N ASP A 55 3.451 -10.392 -2.539 1.00 0.00 N ATOM 795 CA ASP A 55 3.843 -11.792 -2.640 1.00 0.00 C ATOM 796 C ASP A 55 5.288 -11.920 -3.112 1.00 0.00 C ATOM 797 O ASP A 55 5.608 -11.593 -4.254 1.00 0.00 O ATOM 798 CB ASP A 55 2.912 -12.536 -3.599 1.00 0.00 C ATOM 799 CG ASP A 55 3.031 -14.042 -3.471 1.00 0.00 C ATOM 800 OD1 ASP A 55 4.083 -14.515 -2.991 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.073 -14.748 -3.849 1.00 0.00 O ATOM 0 H ASP A 55 3.343 -9.919 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 55 3.763 -12.238 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.882 -12.238 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.141 -12.242 -4.623 1.00 0.00 H new ATOM 806 N ALA A 56 6.155 -12.396 -2.225 1.00 0.00 N ATOM 807 CA ALA A 56 7.565 -12.567 -2.551 1.00 0.00 C ATOM 808 C ALA A 56 7.766 -13.717 -3.532 1.00 0.00 C ATOM 809 O ALA A 56 8.805 -13.816 -4.183 1.00 0.00 O ATOM 810 CB ALA A 56 8.375 -12.804 -1.284 1.00 0.00 C ATOM 0 H ALA A 56 5.906 -12.670 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 56 7.916 -11.652 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.426 -12.930 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.265 -11.949 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.014 -13.703 -0.784 1.00 0.00 H new ATOM 816 N ALA A 57 6.764 -14.584 -3.634 1.00 0.00 N ATOM 817 CA ALA A 57 6.830 -15.726 -4.537 1.00 0.00 C ATOM 818 C ALA A 57 6.164 -15.410 -5.872 1.00 0.00 C ATOM 819 O ALA A 57 5.698 -16.309 -6.573 1.00 0.00 O ATOM 820 CB ALA A 57 6.181 -16.944 -3.896 1.00 0.00 C ATOM 0 H ALA A 57 5.896 -14.517 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 57 7.880 -15.946 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.237 -17.789 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.704 -17.191 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.136 -16.725 -3.675 1.00 0.00 H new ATOM 826 N CYS A 58 6.122 -14.128 -6.217 1.00 0.00 N ATOM 827 CA CYS A 58 5.512 -13.692 -7.468 1.00 0.00 C ATOM 828 C CYS A 58 6.574 -13.455 -8.538 1.00 0.00 C ATOM 829 O CYS A 58 7.414 -12.561 -8.427 1.00 0.00 O ATOM 830 CB CYS A 58 4.702 -12.413 -7.246 1.00 0.00 C ATOM 831 SG CYS A 58 3.668 -11.932 -8.666 1.00 0.00 S ATOM 0 H CYS A 58 6.503 -13.372 -5.648 1.00 0.00 H new ATOM 0 HA CYS A 58 4.845 -14.482 -7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.063 -12.548 -6.374 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.387 -11.597 -7.016 1.00 0.00 H new ATOM 836 N PRO A 59 6.537 -14.274 -9.599 1.00 0.00 N ATOM 837 CA PRO A 59 7.488 -14.173 -10.710 1.00 0.00 C ATOM 838 C PRO A 59 7.271 -12.918 -11.548 1.00 0.00 C ATOM 839 O PRO A 59 8.040 -12.630 -12.465 1.00 0.00 O ATOM 840 CB PRO A 59 7.198 -15.427 -11.540 1.00 0.00 C ATOM 841 CG PRO A 59 5.783 -15.768 -11.228 1.00 0.00 C ATOM 842 CD PRO A 59 5.564 -15.361 -9.797 1.00 0.00 C ATOM 0 HA PRO A 59 8.518 -14.105 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.334 -15.237 -12.605 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.870 -16.243 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.099 -15.240 -11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.600 -16.834 -11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.542 -15.021 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.742 -16.190 -9.112 1.00 0.00 H new ATOM 850 N LYS A 60 6.218 -12.173 -11.227 1.00 0.00 N ATOM 851 CA LYS A 60 5.898 -10.948 -11.949 1.00 0.00 C ATOM 852 C LYS A 60 6.363 -9.721 -11.169 1.00 0.00 C ATOM 853 O LYS A 60 6.969 -8.811 -11.734 1.00 0.00 O ATOM 854 CB LYS A 60 4.393 -10.860 -12.206 1.00 0.00 C ATOM 855 CG LYS A 60 4.037 -10.143 -13.497 1.00 0.00 C ATOM 856 CD LYS A 60 4.182 -8.637 -13.357 1.00 0.00 C ATOM 857 CE LYS A 60 4.215 -7.952 -14.714 1.00 0.00 C ATOM 858 NZ LYS A 60 5.550 -8.069 -15.363 1.00 0.00 N ATOM 0 H LYS A 60 5.571 -12.397 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 60 6.422 -10.972 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.978 -11.868 -12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.920 -10.343 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.681 -10.498 -14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.012 -10.386 -13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.352 -8.244 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.097 -8.408 -12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.457 -8.392 -15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.960 -6.899 -14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.531 -7.589 -16.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.270 -7.626 -14.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.783 -9.073 -15.500 1.00 0.00 H new ATOM 872 N GLN A 61 6.079 -9.707 -9.871 1.00 0.00 N ATOM 873 CA GLN A 61 6.469 -8.593 -9.016 1.00 0.00 C ATOM 874 C GLN A 61 5.730 -7.319 -9.412 1.00 0.00 C ATOM 875 O GLN A 61 6.334 -6.253 -9.539 1.00 0.00 O ATOM 876 CB GLN A 61 7.980 -8.366 -9.096 1.00 0.00 C ATOM 877 CG GLN A 61 8.797 -9.626 -8.862 1.00 0.00 C ATOM 878 CD GLN A 61 10.289 -9.362 -8.866 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.955 -9.482 -7.836 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.825 -9.002 -10.026 1.00 0.00 N ATOM 0 H GLN A 61 5.580 -10.455 -9.389 1.00 0.00 H new ATOM 0 HA GLN A 61 6.200 -8.843 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.227 -7.960 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.266 -7.615 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.512 -10.067 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.559 -10.358 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.236 -8.915 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.825 -8.813 -10.089 1.00 0.00 H new ATOM 889 N GLY A 62 4.420 -7.436 -9.605 1.00 0.00 N ATOM 890 CA GLY A 62 3.620 -6.284 -9.985 1.00 0.00 C ATOM 891 C GLY A 62 3.302 -5.386 -8.806 1.00 0.00 C ATOM 892 O GLY A 62 2.819 -5.851 -7.774 1.00 0.00 O ATOM 0 H GLY A 62 3.898 -8.307 -9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.153 -5.709 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.690 -6.625 -10.439 1.00 0.00 H new ATOM 896 N HIS A 63 3.574 -4.094 -8.959 1.00 0.00 N ATOM 897 CA HIS A 63 3.314 -3.127 -7.898 1.00 0.00 C ATOM 898 C HIS A 63 1.870 -2.639 -7.950 1.00 0.00 C ATOM 899 O HIS A 63 1.110 -3.009 -8.846 1.00 0.00 O ATOM 900 CB HIS A 63 4.271 -1.941 -8.015 1.00 0.00 C ATOM 901 CG HIS A 63 5.711 -2.339 -8.114 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.220 -3.072 -9.166 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.755 -2.101 -7.285 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.512 -3.270 -8.978 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.862 -2.690 -7.845 1.00 0.00 N ATOM 0 H HIS A 63 3.974 -3.692 -9.807 1.00 0.00 H new ATOM 0 HA HIS A 63 3.477 -3.622 -6.941 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.004 -1.355 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.141 -1.293 -7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.723 -1.551 -6.356 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.170 -3.814 -9.639 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.802 -2.681 -7.450 1.00 0.00 H new ATOM 913 N LEU A 64 1.497 -1.806 -6.984 1.00 0.00 N ATOM 914 CA LEU A 64 0.144 -1.267 -6.919 1.00 0.00 C ATOM 915 C LEU A 64 0.096 0.156 -7.468 1.00 0.00 C ATOM 916 O LEU A 64 1.009 0.949 -7.236 1.00 0.00 O ATOM 917 CB LEU A 64 -0.366 -1.286 -5.477 1.00 0.00 C ATOM 918 CG LEU A 64 -1.066 -2.571 -5.030 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.386 -2.743 -5.765 1.00 0.00 C ATOM 920 CD2 LEU A 64 -0.164 -3.776 -5.257 1.00 0.00 C ATOM 0 H LEU A 64 2.113 -1.490 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.500 -1.896 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.478 -1.105 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.058 -0.454 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.276 -2.496 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.870 -3.662 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.035 -1.894 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.201 -2.796 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.678 -4.681 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.078 -3.855 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.755 -3.656 -4.683 1.00 0.00 H new ATOM 932 N GLN A 65 -0.972 0.471 -8.192 1.00 0.00 N ATOM 933 CA GLN A 65 -1.137 1.799 -8.772 1.00 0.00 C ATOM 934 C GLN A 65 -1.484 2.822 -7.696 1.00 0.00 C ATOM 935 O GLN A 65 -1.739 2.465 -6.546 1.00 0.00 O ATOM 936 CB GLN A 65 -2.229 1.778 -9.843 1.00 0.00 C ATOM 937 CG GLN A 65 -1.953 0.801 -10.974 1.00 0.00 C ATOM 938 CD GLN A 65 -2.062 -0.646 -10.535 1.00 0.00 C ATOM 939 OE1 GLN A 65 -1.092 -1.401 -10.600 1.00 0.00 O ATOM 940 NE2 GLN A 65 -3.247 -1.041 -10.085 1.00 0.00 N ATOM 0 H GLN A 65 -1.736 -0.174 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.192 2.088 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.180 1.521 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.339 2.780 -10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.656 0.984 -11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.954 0.982 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.024 -0.382 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.380 -2.004 -9.776 1.00 0.00 H new ATOM 949 N GLU A 66 -1.489 4.096 -8.078 1.00 0.00 N ATOM 950 CA GLU A 66 -1.802 5.172 -7.144 1.00 0.00 C ATOM 951 C GLU A 66 -3.283 5.160 -6.779 1.00 0.00 C ATOM 952 O GLU A 66 -3.642 5.148 -5.602 1.00 0.00 O ATOM 953 CB GLU A 66 -1.423 6.526 -7.746 1.00 0.00 C ATOM 954 CG GLU A 66 -1.524 7.679 -6.762 1.00 0.00 C ATOM 955 CD GLU A 66 -0.541 7.554 -5.615 1.00 0.00 C ATOM 956 OE1 GLU A 66 -0.885 6.902 -4.607 1.00 0.00 O ATOM 957 OE2 GLU A 66 0.573 8.107 -5.725 1.00 0.00 O ATOM 0 H GLU A 66 -1.280 4.408 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.221 5.012 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.403 6.472 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.071 6.729 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.346 8.617 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.538 7.724 -6.364 1.00 0.00 H new ATOM 964 N ASN A 67 -4.138 5.166 -7.797 1.00 0.00 N ATOM 965 CA ASN A 67 -5.581 5.158 -7.584 1.00 0.00 C ATOM 966 C ASN A 67 -5.978 4.067 -6.594 1.00 0.00 C ATOM 967 O ASN A 67 -6.770 4.301 -5.682 1.00 0.00 O ATOM 968 CB ASN A 67 -6.311 4.949 -8.912 1.00 0.00 C ATOM 969 CG ASN A 67 -5.584 3.984 -9.827 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.446 4.229 -10.227 1.00 0.00 O ATOM 971 ND2 ASN A 67 -6.240 2.880 -10.164 1.00 0.00 N ATOM 0 H ASN A 67 -3.857 5.176 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.868 6.123 -7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.315 4.573 -8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.423 5.909 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.802 2.194 -10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.182 2.718 -9.809 1.00 0.00 H new ATOM 978 N GLU A 68 -5.422 2.874 -6.782 1.00 0.00 N ATOM 979 CA GLU A 68 -5.719 1.746 -5.906 1.00 0.00 C ATOM 980 C GLU A 68 -5.417 2.094 -4.451 1.00 0.00 C ATOM 981 O GLU A 68 -6.278 1.965 -3.580 1.00 0.00 O ATOM 982 CB GLU A 68 -4.911 0.518 -6.327 1.00 0.00 C ATOM 983 CG GLU A 68 -5.179 0.071 -7.754 1.00 0.00 C ATOM 984 CD GLU A 68 -6.435 -0.770 -7.876 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.355 -1.994 -7.645 1.00 0.00 O ATOM 986 OE2 GLU A 68 -7.500 -0.203 -8.200 1.00 0.00 O ATOM 0 H GLU A 68 -4.764 2.664 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.782 1.520 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.849 0.738 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.138 -0.305 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.270 0.948 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.326 -0.502 -8.118 1.00 0.00 H new ATOM 993 N ILE A 69 -4.190 2.533 -4.197 1.00 0.00 N ATOM 994 CA ILE A 69 -3.774 2.900 -2.848 1.00 0.00 C ATOM 995 C ILE A 69 -4.650 4.014 -2.287 1.00 0.00 C ATOM 996 O ILE A 69 -5.189 3.898 -1.187 1.00 0.00 O ATOM 997 CB ILE A 69 -2.302 3.353 -2.817 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.392 2.243 -3.347 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.900 3.745 -1.402 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.094 2.753 -3.932 1.00 0.00 C ATOM 0 H ILE A 69 -3.466 2.644 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.884 2.009 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.191 4.225 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.168 1.550 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.928 1.678 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.857 4.063 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.532 4.564 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.023 2.889 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.500 1.911 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.309 3.423 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.463 3.293 -3.166 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.788 5.094 -3.051 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.600 6.228 -2.629 1.00 0.00 C ATOM 1014 C GLU A 70 -6.873 5.758 -1.933 1.00 0.00 C ATOM 1015 O GLU A 70 -7.119 6.093 -0.773 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.958 7.103 -3.833 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.286 8.539 -3.465 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.368 8.638 -2.407 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.504 8.198 -2.679 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -7.078 9.156 -1.307 1.00 0.00 O ATOM 0 H GLU A 70 -4.348 5.206 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.016 6.816 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.125 7.098 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.812 6.665 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.384 9.033 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.607 9.075 -4.358 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.678 4.980 -2.646 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.927 4.463 -2.098 1.00 0.00 C ATOM 1029 C CYS A 71 -8.658 3.480 -0.964 1.00 0.00 C ATOM 1030 O CYS A 71 -9.311 3.525 0.078 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.747 3.782 -3.195 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.491 3.552 -2.777 1.00 0.00 S ATOM 0 H CYS A 71 -7.488 4.693 -3.606 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.495 5.304 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.678 4.375 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.305 2.810 -3.413 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.101 2.971 -3.767 1.00 0.00 H new ATOM 1038 N MET A 72 -7.692 2.591 -1.175 1.00 0.00 N ATOM 1039 CA MET A 72 -7.337 1.596 -0.169 1.00 0.00 C ATOM 1040 C MET A 72 -7.228 2.234 1.211 1.00 0.00 C ATOM 1041 O MET A 72 -7.919 1.833 2.148 1.00 0.00 O ATOM 1042 CB MET A 72 -6.015 0.919 -0.538 1.00 0.00 C ATOM 1043 CG MET A 72 -5.870 -0.481 0.036 1.00 0.00 C ATOM 1044 SD MET A 72 -4.668 -1.479 -0.863 1.00 0.00 S ATOM 1045 CE MET A 72 -5.528 -1.732 -2.413 1.00 0.00 C ATOM 0 H MET A 72 -7.142 2.539 -2.032 1.00 0.00 H new ATOM 0 HA MET A 72 -8.126 0.845 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.933 0.868 -1.624 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.189 1.536 -0.184 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.569 -0.411 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.839 -0.980 0.015 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.771 -2.789 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.447 -1.146 -2.419 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.890 -1.416 -3.239 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.355 3.229 1.332 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.155 3.923 2.599 1.00 0.00 C ATOM 1057 C VAL A 73 -6.917 5.243 2.628 1.00 0.00 C ATOM 1058 O VAL A 73 -7.446 5.688 1.611 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.663 4.197 2.860 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.855 2.913 2.747 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.139 5.253 1.897 1.00 0.00 C ATOM 0 H VAL A 73 -5.774 3.573 0.567 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.538 3.269 3.382 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.554 4.577 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.803 3.127 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.215 2.191 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.968 2.499 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.083 5.434 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.261 4.903 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.698 6.179 2.033 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.967 5.866 3.801 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.661 7.137 3.963 1.00 0.00 C ATOM 1073 C ALA A 74 -6.735 8.310 3.663 1.00 0.00 C ATOM 1074 O ALA A 74 -5.550 8.123 3.386 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.226 7.255 5.371 1.00 0.00 C ATOM 0 H ALA A 74 -6.535 5.510 4.654 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.485 7.166 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.742 8.209 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.928 6.441 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.413 7.199 6.095 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.282 9.520 3.719 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.504 10.723 3.455 1.00 0.00 C ATOM 1083 C ALA A 75 -5.337 10.848 4.428 1.00 0.00 C ATOM 1084 O ALA A 75 -4.188 10.996 4.016 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.394 11.955 3.534 1.00 0.00 C ATOM 0 H ALA A 75 -8.262 9.693 3.945 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.095 10.647 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.800 12.847 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.190 11.877 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.831 12.025 4.530 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.642 10.787 5.721 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.617 10.895 6.753 1.00 0.00 C ATOM 1093 C GLU A 76 -3.395 10.053 6.395 1.00 0.00 C ATOM 1094 O GLU A 76 -2.258 10.463 6.624 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.176 10.454 8.106 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.003 9.180 8.038 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.472 8.715 9.402 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -5.712 8.876 10.379 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.601 8.189 9.493 1.00 0.00 O ATOM 0 H GLU A 76 -6.589 10.664 6.078 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.311 11.939 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.349 10.303 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.792 11.256 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.869 9.347 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.411 8.392 7.573 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.641 8.873 5.834 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.561 7.974 5.445 1.00 0.00 C ATOM 1108 C ILE A 77 -1.980 8.366 4.092 1.00 0.00 C ATOM 1109 O ILE A 77 -0.800 8.698 3.984 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.043 6.512 5.381 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.537 6.054 6.754 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.924 5.607 4.886 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.428 5.876 7.768 1.00 0.00 C ATOM 0 H ILE A 77 -4.577 8.518 5.639 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.787 8.060 6.208 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.873 6.449 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.253 6.782 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.071 5.110 6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.280 4.577 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.614 5.923 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.076 5.672 5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.852 5.550 8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.724 5.126 7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.908 6.824 7.909 1.00 0.00 H new ATOM 1125 N MET A 78 -2.818 8.327 3.060 1.00 0.00 N ATOM 1126 CA MET A 78 -2.387 8.682 1.713 1.00 0.00 C ATOM 1127 C MET A 78 -1.356 9.805 1.750 1.00 0.00 C ATOM 1128 O MET A 78 -0.259 9.670 1.208 1.00 0.00 O ATOM 1129 CB MET A 78 -3.588 9.105 0.865 1.00 0.00 C ATOM 1130 CG MET A 78 -3.255 9.305 -0.604 1.00 0.00 C ATOM 1131 SD MET A 78 -2.670 7.794 -1.396 1.00 0.00 S ATOM 1132 CE MET A 78 -2.452 8.359 -3.082 1.00 0.00 C ATOM 0 H MET A 78 -3.798 8.053 3.131 1.00 0.00 H new ATOM 0 HA MET A 78 -1.925 7.803 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.368 8.349 0.952 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.997 10.033 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.141 9.665 -1.127 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.493 10.078 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.839 7.608 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.993 9.295 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.392 8.519 -3.278 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.715 10.912 2.390 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.819 12.058 2.496 1.00 0.00 C ATOM 1144 C GLN A 79 0.621 11.606 2.709 1.00 0.00 C ATOM 1145 O GLN A 79 1.537 12.079 2.035 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.256 12.969 3.646 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.735 14.392 3.525 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.572 15.243 2.591 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.597 15.797 2.988 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.138 15.351 1.341 1.00 0.00 N ATOM 0 H GLN A 79 -2.620 11.040 2.843 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.870 12.615 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.345 12.992 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.910 12.543 4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.717 14.853 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.294 14.369 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.283 14.874 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.660 15.911 0.667 1.00 0.00 H new ATOM 1159 N ARG A 80 0.815 10.688 3.650 1.00 0.00 N ATOM 1160 CA ARG A 80 2.144 10.173 3.953 1.00 0.00 C ATOM 1161 C ARG A 80 2.807 9.609 2.699 1.00 0.00 C ATOM 1162 O ARG A 80 3.981 9.869 2.433 1.00 0.00 O ATOM 1163 CB ARG A 80 2.063 9.090 5.031 1.00 0.00 C ATOM 1164 CG ARG A 80 1.543 9.599 6.366 1.00 0.00 C ATOM 1165 CD ARG A 80 1.376 8.466 7.366 1.00 0.00 C ATOM 1166 NE ARG A 80 0.692 8.905 8.580 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.770 8.263 9.740 1.00 0.00 C ATOM 1168 NH1 ARG A 80 1.500 7.161 9.844 1.00 0.00 N ATOM 1169 NH2 ARG A 80 0.120 8.724 10.800 1.00 0.00 N ATOM 0 H ARG A 80 0.068 10.286 4.216 1.00 0.00 H new ATOM 0 HA ARG A 80 2.750 11.000 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.415 8.287 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.054 8.659 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.233 10.342 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.586 10.100 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.812 7.655 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.355 8.065 7.626 1.00 0.00 H new ATOM 0 HE ARG A 80 0.124 9.751 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.004 6.804 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.558 6.670 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.441 9.573 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.181 8.230 11.690 1.00 0.00 H new ATOM 1183 N TYR A 81 2.048 8.833 1.933 1.00 0.00 N ATOM 1184 CA TYR A 81 2.561 8.229 0.710 1.00 0.00 C ATOM 1185 C TYR A 81 2.965 9.300 -0.299 1.00 0.00 C ATOM 1186 O TYR A 81 4.102 9.331 -0.769 1.00 0.00 O ATOM 1187 CB TYR A 81 1.512 7.302 0.094 1.00 0.00 C ATOM 1188 CG TYR A 81 1.977 6.615 -1.170 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.054 5.736 -1.151 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.342 6.846 -2.384 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.483 5.107 -2.303 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.763 6.220 -3.541 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.834 5.352 -3.496 1.00 0.00 C ATOM 1194 OH TYR A 81 3.258 4.728 -4.646 1.00 0.00 O ATOM 0 H TYR A 81 1.075 8.608 2.138 1.00 0.00 H new ATOM 0 HA TYR A 81 3.445 7.646 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.233 6.545 0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.614 7.879 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.564 5.542 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.505 7.527 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.322 4.427 -2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.256 6.409 -4.476 1.00 0.00 H new ATOM 0 HH TYR A 81 2.694 5.008 -5.397 1.00 0.00 H new ATOM 1204 N LYS A 82 2.024 10.178 -0.628 1.00 0.00 N ATOM 1205 CA LYS A 82 2.278 11.254 -1.579 1.00 0.00 C ATOM 1206 C LYS A 82 3.600 11.952 -1.270 1.00 0.00 C ATOM 1207 O LYS A 82 4.448 12.113 -2.147 1.00 0.00 O ATOM 1208 CB LYS A 82 1.134 12.269 -1.551 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.140 11.767 -2.209 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.351 12.570 -1.764 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.594 13.764 -2.674 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.818 14.517 -2.286 1.00 0.00 N ATOM 0 H LYS A 82 1.077 10.166 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 82 2.342 10.817 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.919 12.533 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.457 13.182 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.040 11.829 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.288 10.716 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.232 11.929 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.204 12.915 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.732 14.430 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.690 13.422 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.949 15.323 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.645 13.889 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.717 14.866 -1.311 1.00 0.00 H new ATOM 1226 N LYS A 83 3.767 12.364 -0.017 1.00 0.00 N ATOM 1227 CA LYS A 83 4.984 13.042 0.409 1.00 0.00 C ATOM 1228 C LYS A 83 6.214 12.186 0.121 1.00 0.00 C ATOM 1229 O LYS A 83 7.170 12.646 -0.503 1.00 0.00 O ATOM 1230 CB LYS A 83 4.915 13.367 1.903 1.00 0.00 C ATOM 1231 CG LYS A 83 4.173 14.655 2.211 1.00 0.00 C ATOM 1232 CD LYS A 83 4.718 15.328 3.459 1.00 0.00 C ATOM 1233 CE LYS A 83 3.659 16.179 4.143 1.00 0.00 C ATOM 1234 NZ LYS A 83 2.668 15.345 4.879 1.00 0.00 N ATOM 0 H LYS A 83 3.074 12.240 0.721 1.00 0.00 H new ATOM 0 HA LYS A 83 5.069 13.970 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.427 12.543 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.928 13.438 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.257 15.336 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.113 14.442 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.081 14.570 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.572 15.952 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.140 16.869 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.142 16.784 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.726 15.779 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.643 14.391 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.942 15.283 5.880 1.00 0.00 H new ATOM 1248 N LEU A 84 6.181 10.939 0.577 1.00 0.00 N ATOM 1249 CA LEU A 84 7.292 10.018 0.367 1.00 0.00 C ATOM 1250 C LEU A 84 7.734 10.022 -1.094 1.00 0.00 C ATOM 1251 O LEU A 84 8.919 10.163 -1.392 1.00 0.00 O ATOM 1252 CB LEU A 84 6.893 8.602 0.786 1.00 0.00 C ATOM 1253 CG LEU A 84 6.999 8.289 2.279 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.382 6.934 2.586 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.452 8.330 2.730 1.00 0.00 C ATOM 0 H LEU A 84 5.397 10.542 1.095 1.00 0.00 H new ATOM 0 HA LEU A 84 8.128 10.351 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.864 8.428 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.518 7.894 0.241 1.00 0.00 H new ATOM 0 HG LEU A 84 6.446 9.050 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.467 6.729 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.330 6.940 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.906 6.160 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.509 8.105 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.027 7.591 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.862 9.323 2.547 1.00 0.00 H new ATOM 1267 N GLN A 85 6.772 9.867 -1.998 1.00 0.00 N ATOM 1268 CA GLN A 85 7.062 9.855 -3.426 1.00 0.00 C ATOM 1269 C GLN A 85 7.994 11.003 -3.803 1.00 0.00 C ATOM 1270 O GLN A 85 9.076 10.785 -4.348 1.00 0.00 O ATOM 1271 CB GLN A 85 5.766 9.950 -4.233 1.00 0.00 C ATOM 1272 CG GLN A 85 5.134 8.600 -4.531 1.00 0.00 C ATOM 1273 CD GLN A 85 5.809 7.882 -5.684 1.00 0.00 C ATOM 1274 OE1 GLN A 85 6.766 7.134 -5.490 1.00 0.00 O ATOM 1275 NE2 GLN A 85 5.309 8.107 -6.894 1.00 0.00 N ATOM 0 H GLN A 85 5.786 9.748 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 85 7.560 8.914 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.051 10.564 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.970 10.462 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.184 7.975 -3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.078 8.740 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.514 8.735 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.720 7.651 -7.709 1.00 0.00 H new ATOM 1284 N PHE A 86 7.566 12.226 -3.508 1.00 0.00 N ATOM 1285 CA PHE A 86 8.362 13.409 -3.816 1.00 0.00 C ATOM 1286 C PHE A 86 9.691 13.380 -3.069 1.00 0.00 C ATOM 1287 O PHE A 86 10.756 13.497 -3.673 1.00 0.00 O ATOM 1288 CB PHE A 86 7.588 14.678 -3.455 1.00 0.00 C ATOM 1289 CG PHE A 86 8.436 15.918 -3.455 1.00 0.00 C ATOM 1290 CD1 PHE A 86 8.835 16.499 -4.648 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.835 16.501 -2.264 1.00 0.00 C ATOM 1292 CE1 PHE A 86 9.615 17.641 -4.652 1.00 0.00 C ATOM 1293 CE2 PHE A 86 9.614 17.643 -2.262 1.00 0.00 C ATOM 1294 CZ PHE A 86 10.006 18.212 -3.457 1.00 0.00 C ATOM 0 H PHE A 86 6.673 12.424 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 86 8.568 13.409 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.769 14.808 -4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.141 14.553 -2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.533 16.055 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.534 16.058 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.918 18.086 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.916 18.090 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.617 19.102 -3.457 1.00 0.00 H new ATOM 1304 N GLU A 87 9.619 13.223 -1.752 1.00 0.00 N ATOM 1305 CA GLU A 87 10.818 13.180 -0.921 1.00 0.00 C ATOM 1306 C GLU A 87 11.937 12.414 -1.621 1.00 0.00 C ATOM 1307 O GLU A 87 13.080 12.868 -1.665 1.00 0.00 O ATOM 1308 CB GLU A 87 10.507 12.531 0.429 1.00 0.00 C ATOM 1309 CG GLU A 87 9.487 13.299 1.254 1.00 0.00 C ATOM 1310 CD GLU A 87 10.127 14.338 2.152 1.00 0.00 C ATOM 1311 OE1 GLU A 87 10.820 13.945 3.115 1.00 0.00 O ATOM 1312 OE2 GLU A 87 9.936 15.544 1.893 1.00 0.00 O ATOM 0 H GLU A 87 8.744 13.123 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 87 11.151 14.204 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.137 11.520 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.431 12.441 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.779 13.789 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.917 12.598 1.864 1.00 0.00 H new ATOM 1319 N ARG A 88 11.599 11.249 -2.164 1.00 0.00 N ATOM 1320 CA ARG A 88 12.575 10.419 -2.860 1.00 0.00 C ATOM 1321 C ARG A 88 12.263 10.347 -4.351 1.00 0.00 C ATOM 1322 O ARG A 88 12.283 9.271 -4.949 1.00 0.00 O ATOM 1323 CB ARG A 88 12.595 9.010 -2.264 1.00 0.00 C ATOM 1324 CG ARG A 88 13.173 8.951 -0.859 1.00 0.00 C ATOM 1325 CD ARG A 88 13.799 7.596 -0.570 1.00 0.00 C ATOM 1326 NE ARG A 88 14.026 7.391 0.858 1.00 0.00 N ATOM 1327 CZ ARG A 88 15.062 7.899 1.517 1.00 0.00 C ATOM 1328 NH1 ARG A 88 15.960 8.638 0.880 1.00 0.00 N ATOM 1329 NH2 ARG A 88 15.202 7.669 2.816 1.00 0.00 N ATOM 0 H ARG A 88 10.657 10.859 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 88 13.557 10.874 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.578 8.618 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.177 8.358 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.924 9.732 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.386 9.152 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.149 6.808 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.746 7.513 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 88 13.353 6.827 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.857 8.818 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.754 9.027 1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.514 7.101 3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.998 8.060 3.320 1.00 0.00 H new ATOM 1343 N SER A 89 11.973 11.499 -4.946 1.00 0.00 N ATOM 1344 CA SER A 89 11.653 11.567 -6.367 1.00 0.00 C ATOM 1345 C SER A 89 12.919 11.714 -7.204 1.00 0.00 C ATOM 1346 O SER A 89 13.184 10.909 -8.096 1.00 0.00 O ATOM 1347 CB SER A 89 10.708 12.738 -6.643 1.00 0.00 C ATOM 1348 OG SER A 89 10.653 13.034 -8.028 1.00 0.00 O ATOM 0 H SER A 89 11.953 12.399 -4.466 1.00 0.00 H new ATOM 0 HA SER A 89 11.160 10.636 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.709 12.497 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.043 13.617 -6.093 1.00 0.00 H new ATOM 0 HG SER A 89 10.041 13.785 -8.178 1.00 0.00 H new ATOM 1354 N GLY A 90 13.701 12.748 -6.908 1.00 0.00 N ATOM 1355 CA GLY A 90 14.931 12.982 -7.641 1.00 0.00 C ATOM 1356 C GLY A 90 14.748 13.963 -8.783 1.00 0.00 C ATOM 1357 O GLY A 90 13.629 14.257 -9.204 1.00 0.00 O ATOM 0 H GLY A 90 13.504 13.428 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.691 13.362 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.301 12.036 -8.035 1.00 0.00 H new ATOM 1361 N PRO A 91 15.868 14.488 -9.302 1.00 0.00 N ATOM 1362 CA PRO A 91 15.851 15.450 -10.409 1.00 0.00 C ATOM 1363 C PRO A 91 15.421 14.812 -11.726 1.00 0.00 C ATOM 1364 O PRO A 91 16.225 14.180 -12.411 1.00 0.00 O ATOM 1365 CB PRO A 91 17.305 15.919 -10.491 1.00 0.00 C ATOM 1366 CG PRO A 91 18.100 14.798 -9.916 1.00 0.00 C ATOM 1367 CD PRO A 91 17.235 14.182 -8.851 1.00 0.00 C ATOM 0 HA PRO A 91 15.137 16.256 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO A 91 17.597 16.123 -11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 91 17.456 16.840 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 91 18.355 14.067 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 91 19.038 15.160 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 91 17.400 13.108 -8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 91 17.440 14.610 -7.870 1.00 0.00 H new ATOM 1375 N SER A 92 14.150 14.982 -12.073 1.00 0.00 N ATOM 1376 CA SER A 92 13.614 14.419 -13.307 1.00 0.00 C ATOM 1377 C SER A 92 13.976 15.293 -14.505 1.00 0.00 C ATOM 1378 O SER A 92 13.179 16.119 -14.948 1.00 0.00 O ATOM 1379 CB SER A 92 12.094 14.275 -13.208 1.00 0.00 C ATOM 1380 OG SER A 92 11.730 13.470 -12.101 1.00 0.00 O ATOM 0 H SER A 92 13.472 15.505 -11.518 1.00 0.00 H new ATOM 0 HA SER A 92 14.057 13.434 -13.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.638 15.260 -13.111 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.707 13.833 -14.126 1.00 0.00 H new ATOM 0 HG SER A 92 10.754 13.395 -12.058 1.00 0.00 H new ATOM 1386 N SER A 93 15.185 15.102 -15.024 1.00 0.00 N ATOM 1387 CA SER A 93 15.656 15.874 -16.167 1.00 0.00 C ATOM 1388 C SER A 93 15.645 15.027 -17.436 1.00 0.00 C ATOM 1389 O SER A 93 16.438 14.098 -17.582 1.00 0.00 O ATOM 1390 CB SER A 93 17.068 16.403 -15.906 1.00 0.00 C ATOM 1391 OG SER A 93 17.512 17.220 -16.975 1.00 0.00 O ATOM 0 H SER A 93 15.856 14.419 -14.671 1.00 0.00 H new ATOM 0 HA SER A 93 14.980 16.717 -16.307 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.080 16.975 -14.978 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.754 15.567 -15.774 1.00 0.00 H new ATOM 0 HG SER A 93 18.416 17.547 -16.783 1.00 0.00 H new ATOM 1397 N GLY A 94 14.740 15.356 -18.352 1.00 0.00 N ATOM 1398 CA GLY A 94 14.640 14.616 -19.597 1.00 0.00 C ATOM 1399 C GLY A 94 15.850 14.816 -20.487 1.00 0.00 C ATOM 1400 O GLY A 94 16.085 15.937 -20.938 1.00 0.00 O ATOM 0 H GLY A 94 14.074 16.122 -18.255 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.526 13.555 -19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.743 14.929 -20.132 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.670 -12.047 3.471 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 1.989 -10.631 -7.718 1.00 0.00 ZN