USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 22 ASN : amide:sc= -2.54! C(o=-2.5!,f=-4.8!) USER MOD Set 1.2: A 25 HIS : no HD1:sc= 0 K(o=-2.5,f=-3.1) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 19 GLN : amide:sc= -3.91! K(o=-3.9!,f=-2.4) USER MOD Single : A 21 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -173:sc= -3.08! (180deg=-3.36!) USER MOD Single : A 34 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.9) USER MOD Single : A 55 TYR OH : rot -157:sc= -4.48! USER MOD Single : A 56 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-2.2!) USER MOD Single : A 67 SER OG : rot 61:sc= 0.637 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0381) USER MOD Single : A 71 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.11) USER MOD Single : A 73 HIS : no HD1:sc=-0.000692 X(o=-0.00069,f=-0.013) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.128 16.499 7.196 1.00 0.00 N ATOM 2 CA GLY A 1 14.273 17.019 6.146 1.00 0.00 C ATOM 3 C GLY A 1 13.502 18.250 6.581 1.00 0.00 C ATOM 4 O GLY A 1 12.993 18.308 7.700 1.00 0.00 O ATOM 0 H1 GLY A 1 15.633 15.659 6.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.817 17.226 7.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.548 16.239 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.881 17.264 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.571 16.245 5.837 1.00 0.00 H new ATOM 8 N SER A 2 13.417 19.237 5.695 1.00 0.00 N ATOM 9 CA SER A 2 12.708 20.475 5.996 1.00 0.00 C ATOM 10 C SER A 2 11.621 20.745 4.960 1.00 0.00 C ATOM 11 O SER A 2 11.820 21.517 4.022 1.00 0.00 O ATOM 12 CB SER A 2 13.687 21.650 6.042 1.00 0.00 C ATOM 13 OG SER A 2 13.141 22.741 6.763 1.00 0.00 O ATOM 0 H SER A 2 13.830 19.203 4.763 1.00 0.00 H new ATOM 0 HA SER A 2 12.236 20.366 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.620 21.332 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.929 21.965 5.027 1.00 0.00 H new ATOM 0 HG SER A 2 13.786 23.478 6.779 1.00 0.00 H new ATOM 19 N SER A 3 10.471 20.102 5.136 1.00 0.00 N ATOM 20 CA SER A 3 9.353 20.268 4.215 1.00 0.00 C ATOM 21 C SER A 3 8.100 19.583 4.753 1.00 0.00 C ATOM 22 O SER A 3 8.158 18.461 5.254 1.00 0.00 O ATOM 23 CB SER A 3 9.709 19.698 2.840 1.00 0.00 C ATOM 24 OG SER A 3 8.838 20.198 1.841 1.00 0.00 O ATOM 0 H SER A 3 10.289 19.461 5.908 1.00 0.00 H new ATOM 0 HA SER A 3 9.150 21.334 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.739 19.955 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.650 18.610 2.867 1.00 0.00 H new ATOM 0 HG SER A 3 9.087 19.821 0.971 1.00 0.00 H new ATOM 30 N GLY A 4 6.966 20.269 4.645 1.00 0.00 N ATOM 31 CA GLY A 4 5.714 19.713 5.124 1.00 0.00 C ATOM 32 C GLY A 4 4.618 20.755 5.226 1.00 0.00 C ATOM 33 O GLY A 4 4.101 21.018 6.312 1.00 0.00 O ATOM 0 H GLY A 4 6.892 21.200 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.393 18.917 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.872 19.260 6.103 1.00 0.00 H new ATOM 37 N SER A 5 4.264 21.352 4.093 1.00 0.00 N ATOM 38 CA SER A 5 3.226 22.376 4.060 1.00 0.00 C ATOM 39 C SER A 5 2.098 21.975 3.115 1.00 0.00 C ATOM 40 O SER A 5 1.604 22.793 2.338 1.00 0.00 O ATOM 41 CB SER A 5 3.818 23.718 3.626 1.00 0.00 C ATOM 42 OG SER A 5 4.424 23.620 2.348 1.00 0.00 O ATOM 0 H SER A 5 4.681 21.144 3.185 1.00 0.00 H new ATOM 0 HA SER A 5 2.816 22.476 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.033 24.474 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.556 24.047 4.358 1.00 0.00 H new ATOM 0 HG SER A 5 4.793 24.491 2.093 1.00 0.00 H new ATOM 48 N SER A 6 1.695 20.711 3.186 1.00 0.00 N ATOM 49 CA SER A 6 0.628 20.199 2.335 1.00 0.00 C ATOM 50 C SER A 6 -0.683 20.097 3.109 1.00 0.00 C ATOM 51 O SER A 6 -0.749 19.459 4.159 1.00 0.00 O ATOM 52 CB SER A 6 1.009 18.828 1.772 1.00 0.00 C ATOM 53 OG SER A 6 0.283 18.543 0.588 1.00 0.00 O ATOM 0 H SER A 6 2.092 20.022 3.825 1.00 0.00 H new ATOM 0 HA SER A 6 0.489 20.897 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.078 18.802 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.812 18.058 2.518 1.00 0.00 H new ATOM 0 HG SER A 6 0.155 17.575 0.508 1.00 0.00 H new ATOM 59 N GLY A 7 -1.725 20.731 2.582 1.00 0.00 N ATOM 60 CA GLY A 7 -3.021 20.701 3.236 1.00 0.00 C ATOM 61 C GLY A 7 -3.920 21.839 2.795 1.00 0.00 C ATOM 62 O GLY A 7 -4.603 21.740 1.776 1.00 0.00 O ATOM 0 H GLY A 7 -1.696 21.265 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.511 19.751 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.881 20.750 4.316 1.00 0.00 H new ATOM 66 N MET A 8 -3.920 22.923 3.564 1.00 0.00 N ATOM 67 CA MET A 8 -4.743 24.084 3.247 1.00 0.00 C ATOM 68 C MET A 8 -6.064 23.658 2.615 1.00 0.00 C ATOM 69 O MET A 8 -6.512 24.250 1.633 1.00 0.00 O ATOM 70 CB MET A 8 -3.992 25.025 2.303 1.00 0.00 C ATOM 71 CG MET A 8 -3.621 24.385 0.975 1.00 0.00 C ATOM 72 SD MET A 8 -3.286 25.601 -0.313 1.00 0.00 S ATOM 73 CE MET A 8 -3.064 24.535 -1.736 1.00 0.00 C ATOM 0 H MET A 8 -3.360 23.021 4.411 1.00 0.00 H new ATOM 0 HA MET A 8 -4.959 24.610 4.177 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.608 25.904 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.084 25.372 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.742 23.756 1.113 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.432 23.733 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.849 25.142 -2.615 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.233 23.853 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.975 23.960 -1.906 1.00 0.00 H new ATOM 83 N ALA A 9 -6.683 22.629 3.184 1.00 0.00 N ATOM 84 CA ALA A 9 -7.953 22.126 2.677 1.00 0.00 C ATOM 85 C ALA A 9 -8.541 21.076 3.614 1.00 0.00 C ATOM 86 O ALA A 9 -7.834 20.185 4.087 1.00 0.00 O ATOM 87 CB ALA A 9 -7.773 21.548 1.281 1.00 0.00 C ATOM 0 H ALA A 9 -6.325 22.127 3.997 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.651 22.961 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.730 21.176 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.405 22.324 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.055 20.729 1.316 1.00 0.00 H new ATOM 93 N LEU A 10 -9.838 21.187 3.879 1.00 0.00 N ATOM 94 CA LEU A 10 -10.522 20.248 4.761 1.00 0.00 C ATOM 95 C LEU A 10 -10.724 18.902 4.072 1.00 0.00 C ATOM 96 O LEU A 10 -11.523 18.783 3.142 1.00 0.00 O ATOM 97 CB LEU A 10 -11.872 20.818 5.198 1.00 0.00 C ATOM 98 CG LEU A 10 -11.836 21.821 6.352 1.00 0.00 C ATOM 99 CD1 LEU A 10 -11.386 23.187 5.858 1.00 0.00 C ATOM 100 CD2 LEU A 10 -13.200 21.916 7.019 1.00 0.00 C ATOM 0 H LEU A 10 -10.437 21.918 3.496 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.898 20.095 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.335 21.301 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.518 19.988 5.484 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.116 21.469 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.366 23.888 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.388 23.108 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.081 23.546 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.155 22.634 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.940 22.244 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.483 20.938 7.409 1.00 0.00 H new ATOM 112 N VAL A 11 -9.997 17.890 4.535 1.00 0.00 N ATOM 113 CA VAL A 11 -10.099 16.552 3.965 1.00 0.00 C ATOM 114 C VAL A 11 -9.933 15.483 5.039 1.00 0.00 C ATOM 115 O VAL A 11 -9.010 15.525 5.854 1.00 0.00 O ATOM 116 CB VAL A 11 -9.044 16.328 2.866 1.00 0.00 C ATOM 117 CG1 VAL A 11 -7.657 16.693 3.374 1.00 0.00 C ATOM 118 CG2 VAL A 11 -9.080 14.888 2.378 1.00 0.00 C ATOM 0 H VAL A 11 -9.331 17.971 5.303 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.093 16.470 3.526 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.279 16.979 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.925 16.528 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.642 17.742 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.409 16.071 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.328 14.748 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.871 14.216 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.067 14.666 1.971 1.00 0.00 H new ATOM 128 N PRO A 12 -10.846 14.501 5.043 1.00 0.00 N ATOM 129 CA PRO A 12 -10.821 13.401 6.012 1.00 0.00 C ATOM 130 C PRO A 12 -9.654 12.448 5.777 1.00 0.00 C ATOM 131 O PRO A 12 -9.005 12.490 4.731 1.00 0.00 O ATOM 132 CB PRO A 12 -12.152 12.685 5.770 1.00 0.00 C ATOM 133 CG PRO A 12 -12.503 13.004 4.357 1.00 0.00 C ATOM 134 CD PRO A 12 -11.972 14.388 4.102 1.00 0.00 C ATOM 0 HA PRO A 12 -10.694 13.760 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.056 11.610 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.921 13.036 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.058 12.283 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.582 12.965 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.646 14.509 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.729 15.149 4.288 1.00 0.00 H new ATOM 142 N VAL A 13 -9.391 11.589 6.757 1.00 0.00 N ATOM 143 CA VAL A 13 -8.302 10.625 6.656 1.00 0.00 C ATOM 144 C VAL A 13 -8.792 9.301 6.078 1.00 0.00 C ATOM 145 O VAL A 13 -9.982 8.990 6.135 1.00 0.00 O ATOM 146 CB VAL A 13 -7.654 10.364 8.029 1.00 0.00 C ATOM 147 CG1 VAL A 13 -7.014 11.634 8.567 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.683 9.820 9.009 1.00 0.00 C ATOM 0 H VAL A 13 -9.917 11.541 7.630 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.558 11.057 5.987 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.872 9.615 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.561 11.430 9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.246 11.977 7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.775 12.407 8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.208 9.641 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.489 10.544 9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.091 8.884 8.626 1.00 0.00 H new ATOM 158 N TYR A 14 -7.867 8.526 5.523 1.00 0.00 N ATOM 159 CA TYR A 14 -8.204 7.237 4.933 1.00 0.00 C ATOM 160 C TYR A 14 -7.233 6.155 5.395 1.00 0.00 C ATOM 161 O TYR A 14 -7.627 5.187 6.047 1.00 0.00 O ATOM 162 CB TYR A 14 -8.190 7.332 3.406 1.00 0.00 C ATOM 163 CG TYR A 14 -8.728 8.642 2.876 1.00 0.00 C ATOM 164 CD1 TYR A 14 -7.928 9.777 2.831 1.00 0.00 C ATOM 165 CD2 TYR A 14 -10.036 8.744 2.420 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.415 10.975 2.348 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.532 9.938 1.934 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.718 11.051 1.900 1.00 0.00 C ATOM 169 OH TYR A 14 -10.207 12.243 1.417 1.00 0.00 O ATOM 0 H TYR A 14 -6.878 8.769 5.470 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.206 6.966 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.168 7.199 3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.780 6.513 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.907 9.721 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.676 7.875 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.780 11.848 2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.551 10.000 1.583 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.140 12.126 1.141 1.00 0.00 H new ATOM 179 N CYS A 15 -5.960 6.327 5.054 1.00 0.00 N ATOM 180 CA CYS A 15 -4.930 5.367 5.433 1.00 0.00 C ATOM 181 C CYS A 15 -5.051 4.993 6.907 1.00 0.00 C ATOM 182 O CYS A 15 -5.829 5.594 7.650 1.00 0.00 O ATOM 183 CB CYS A 15 -3.540 5.942 5.154 1.00 0.00 C ATOM 184 SG CYS A 15 -2.225 4.687 5.038 1.00 0.00 S ATOM 0 H CYS A 15 -5.617 7.123 4.516 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.070 4.466 4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.572 6.506 4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.285 6.648 5.945 1.00 0.00 H new ATOM 189 N LEU A 16 -4.277 3.997 7.325 1.00 0.00 N ATOM 190 CA LEU A 16 -4.296 3.542 8.711 1.00 0.00 C ATOM 191 C LEU A 16 -3.552 4.519 9.615 1.00 0.00 C ATOM 192 O LEU A 16 -3.795 4.573 10.821 1.00 0.00 O ATOM 193 CB LEU A 16 -3.670 2.151 8.820 1.00 0.00 C ATOM 194 CG LEU A 16 -3.997 1.177 7.687 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.981 0.046 7.645 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.406 0.624 7.850 1.00 0.00 C ATOM 0 H LEU A 16 -3.628 3.489 6.724 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.335 3.493 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.587 2.265 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.990 1.703 9.761 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.947 1.718 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.230 -0.637 6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.985 0.457 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.999 -0.494 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.622 -0.067 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.483 0.098 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.123 1.444 7.830 1.00 0.00 H new ATOM 208 N CYS A 17 -2.647 5.292 9.024 1.00 0.00 N ATOM 209 CA CYS A 17 -1.869 6.270 9.775 1.00 0.00 C ATOM 210 C CYS A 17 -2.749 7.427 10.238 1.00 0.00 C ATOM 211 O CYS A 17 -2.302 8.302 10.979 1.00 0.00 O ATOM 212 CB CYS A 17 -0.717 6.801 8.920 1.00 0.00 C ATOM 213 SG CYS A 17 0.252 5.502 8.088 1.00 0.00 S ATOM 0 H CYS A 17 -2.434 5.260 8.027 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.461 5.773 10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.120 7.478 8.166 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.050 7.388 9.552 1.00 0.00 H new ATOM 218 N ARG A 18 -4.002 7.424 9.795 1.00 0.00 N ATOM 219 CA ARG A 18 -4.945 8.473 10.162 1.00 0.00 C ATOM 220 C ARG A 18 -4.579 9.793 9.489 1.00 0.00 C ATOM 221 O ARG A 18 -4.686 10.859 10.095 1.00 0.00 O ATOM 222 CB ARG A 18 -4.974 8.654 11.681 1.00 0.00 C ATOM 223 CG ARG A 18 -5.132 7.350 12.446 1.00 0.00 C ATOM 224 CD ARG A 18 -6.429 6.645 12.084 1.00 0.00 C ATOM 225 NE ARG A 18 -6.918 5.803 13.173 1.00 0.00 N ATOM 226 CZ ARG A 18 -7.976 5.007 13.069 1.00 0.00 C ATOM 227 NH1 ARG A 18 -8.654 4.946 11.931 1.00 0.00 N ATOM 228 NH2 ARG A 18 -8.359 4.271 14.104 1.00 0.00 N ATOM 0 H ARG A 18 -4.388 6.706 9.181 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.935 8.172 9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.052 9.142 11.998 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.795 9.321 11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.288 6.695 12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.113 7.551 13.517 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.186 7.387 11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.273 6.034 11.195 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.419 5.828 14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.363 5.511 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.466 4.334 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.841 4.316 14.981 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.172 3.660 14.022 1.00 0.00 H new ATOM 242 N GLN A 19 -4.147 9.712 8.235 1.00 0.00 N ATOM 243 CA GLN A 19 -3.764 10.900 7.481 1.00 0.00 C ATOM 244 C GLN A 19 -4.650 11.074 6.253 1.00 0.00 C ATOM 245 O GLN A 19 -5.163 10.109 5.685 1.00 0.00 O ATOM 246 CB GLN A 19 -2.297 10.810 7.058 1.00 0.00 C ATOM 247 CG GLN A 19 -1.346 10.537 8.212 1.00 0.00 C ATOM 248 CD GLN A 19 -1.594 11.445 9.400 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.206 12.614 9.395 1.00 0.00 O ATOM 250 NE2 GLN A 19 -2.246 10.912 10.427 1.00 0.00 N ATOM 0 H GLN A 19 -4.053 8.837 7.720 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.896 11.768 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.190 10.020 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.009 11.743 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.450 9.498 8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.319 10.665 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.549 9.939 10.389 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.443 11.476 11.254 1.00 0.00 H new ATOM 259 N PRO A 20 -4.837 12.334 5.831 1.00 0.00 N ATOM 260 CA PRO A 20 -5.662 12.664 4.665 1.00 0.00 C ATOM 261 C PRO A 20 -5.021 12.217 3.356 1.00 0.00 C ATOM 262 O PRO A 20 -5.634 11.498 2.567 1.00 0.00 O ATOM 263 CB PRO A 20 -5.758 14.191 4.720 1.00 0.00 C ATOM 264 CG PRO A 20 -4.540 14.621 5.462 1.00 0.00 C ATOM 265 CD PRO A 20 -4.257 13.532 6.460 1.00 0.00 C ATOM 0 HA PRO A 20 -6.629 12.161 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.785 14.622 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.666 14.512 5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.698 14.757 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.704 15.576 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.188 13.416 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.718 13.742 7.425 1.00 0.00 H new ATOM 273 N TYR A 21 -3.784 12.647 3.131 1.00 0.00 N ATOM 274 CA TYR A 21 -3.061 12.292 1.916 1.00 0.00 C ATOM 275 C TYR A 21 -1.640 12.847 1.947 1.00 0.00 C ATOM 276 O TYR A 21 -1.396 13.931 2.475 1.00 0.00 O ATOM 277 CB TYR A 21 -3.800 12.820 0.685 1.00 0.00 C ATOM 278 CG TYR A 21 -3.015 12.676 -0.599 1.00 0.00 C ATOM 279 CD1 TYR A 21 -3.022 11.483 -1.311 1.00 0.00 C ATOM 280 CD2 TYR A 21 -2.269 13.735 -1.102 1.00 0.00 C ATOM 281 CE1 TYR A 21 -2.306 11.347 -2.484 1.00 0.00 C ATOM 282 CE2 TYR A 21 -1.551 13.608 -2.276 1.00 0.00 C ATOM 283 CZ TYR A 21 -1.572 12.413 -2.963 1.00 0.00 C ATOM 284 OH TYR A 21 -0.859 12.282 -4.133 1.00 0.00 O ATOM 0 H TYR A 21 -3.262 13.242 3.774 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.006 11.205 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.747 12.289 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.040 13.872 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.597 10.647 -0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.250 14.673 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.320 10.412 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.976 14.441 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.598 13.169 -4.458 1.00 0.00 H new ATOM 294 N ASN A 22 -0.705 12.095 1.375 1.00 0.00 N ATOM 295 CA ASN A 22 0.692 12.510 1.336 1.00 0.00 C ATOM 296 C ASN A 22 1.170 12.678 -0.103 1.00 0.00 C ATOM 297 O ASN A 22 1.635 11.726 -0.729 1.00 0.00 O ATOM 298 CB ASN A 22 1.570 11.488 2.061 1.00 0.00 C ATOM 299 CG ASN A 22 1.271 11.418 3.546 1.00 0.00 C ATOM 300 OD1 ASN A 22 0.413 12.142 4.052 1.00 0.00 O ATOM 301 ND2 ASN A 22 1.979 10.545 4.251 1.00 0.00 N ATOM 0 H ASN A 22 -0.890 11.195 0.932 1.00 0.00 H new ATOM 0 HA ASN A 22 0.773 13.472 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.420 10.504 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.619 11.747 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.822 10.453 5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.680 9.965 3.789 1.00 0.00 H new ATOM 308 N VAL A 23 1.052 13.896 -0.622 1.00 0.00 N ATOM 309 CA VAL A 23 1.472 14.190 -1.987 1.00 0.00 C ATOM 310 C VAL A 23 2.925 13.786 -2.213 1.00 0.00 C ATOM 311 O VAL A 23 3.344 13.543 -3.344 1.00 0.00 O ATOM 312 CB VAL A 23 1.310 15.686 -2.315 1.00 0.00 C ATOM 313 CG1 VAL A 23 2.092 16.537 -1.326 1.00 0.00 C ATOM 314 CG2 VAL A 23 1.754 15.970 -3.742 1.00 0.00 C ATOM 0 H VAL A 23 0.669 14.695 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 23 0.829 13.610 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 23 0.255 15.947 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.966 17.591 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.722 16.354 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.149 16.276 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.633 17.032 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.802 15.694 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.146 15.388 -4.435 1.00 0.00 H new ATOM 324 N ASN A 24 3.690 13.716 -1.128 1.00 0.00 N ATOM 325 CA ASN A 24 5.097 13.341 -1.208 1.00 0.00 C ATOM 326 C ASN A 24 5.250 11.832 -1.372 1.00 0.00 C ATOM 327 O ASN A 24 6.095 11.362 -2.134 1.00 0.00 O ATOM 328 CB ASN A 24 5.842 13.807 0.045 1.00 0.00 C ATOM 329 CG ASN A 24 5.825 15.315 0.201 1.00 0.00 C ATOM 330 OD1 ASN A 24 5.249 15.846 1.151 1.00 0.00 O ATOM 331 ND2 ASN A 24 6.457 16.014 -0.735 1.00 0.00 N ATOM 0 H ASN A 24 3.359 13.914 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 24 5.528 13.829 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.390 13.348 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.875 13.461 0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.478 17.032 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.921 15.532 -1.505 1.00 0.00 H new ATOM 338 N HIS A 25 4.425 11.077 -0.653 1.00 0.00 N ATOM 339 CA HIS A 25 4.467 9.621 -0.720 1.00 0.00 C ATOM 340 C HIS A 25 3.421 9.091 -1.696 1.00 0.00 C ATOM 341 O HIS A 25 2.443 9.773 -2.004 1.00 0.00 O ATOM 342 CB HIS A 25 4.239 9.019 0.667 1.00 0.00 C ATOM 343 CG HIS A 25 5.279 9.414 1.670 1.00 0.00 C ATOM 344 ND1 HIS A 25 5.082 9.328 3.032 1.00 0.00 N ATOM 345 CD2 HIS A 25 6.532 9.899 1.502 1.00 0.00 C ATOM 346 CE1 HIS A 25 6.168 9.744 3.659 1.00 0.00 C ATOM 347 NE2 HIS A 25 7.063 10.096 2.753 1.00 0.00 N ATOM 0 H HIS A 25 3.720 11.450 -0.017 1.00 0.00 H new ATOM 0 HA HIS A 25 5.454 9.327 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.259 9.328 1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.221 7.932 0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.022 10.094 0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.301 9.789 4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 25 7.997 10.456 2.951 1.00 0.00 H new ATOM 356 N PHE A 26 3.633 7.872 -2.179 1.00 0.00 N ATOM 357 CA PHE A 26 2.709 7.252 -3.122 1.00 0.00 C ATOM 358 C PHE A 26 1.469 6.728 -2.403 1.00 0.00 C ATOM 359 O PHE A 26 1.529 6.355 -1.232 1.00 0.00 O ATOM 360 CB PHE A 26 3.400 6.109 -3.869 1.00 0.00 C ATOM 361 CG PHE A 26 2.447 5.075 -4.397 1.00 0.00 C ATOM 362 CD1 PHE A 26 1.881 4.138 -3.548 1.00 0.00 C ATOM 363 CD2 PHE A 26 2.118 5.040 -5.742 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.003 3.186 -4.030 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.240 4.090 -6.230 1.00 0.00 C ATOM 366 CZ PHE A 26 0.683 3.161 -5.373 1.00 0.00 C ATOM 0 H PHE A 26 4.436 7.293 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 26 2.398 8.011 -3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.972 6.522 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.113 5.627 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.129 4.152 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.552 5.763 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.568 2.462 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.990 4.074 -7.281 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.001 2.417 -5.752 1.00 0.00 H new ATOM 376 N MET A 27 0.347 6.704 -3.114 1.00 0.00 N ATOM 377 CA MET A 27 -0.908 6.225 -2.544 1.00 0.00 C ATOM 378 C MET A 27 -1.771 5.561 -3.612 1.00 0.00 C ATOM 379 O MET A 27 -1.614 5.827 -4.804 1.00 0.00 O ATOM 380 CB MET A 27 -1.674 7.382 -1.899 1.00 0.00 C ATOM 381 CG MET A 27 -1.284 7.637 -0.452 1.00 0.00 C ATOM 382 SD MET A 27 -2.417 8.762 0.385 1.00 0.00 S ATOM 383 CE MET A 27 -3.340 7.616 1.407 1.00 0.00 C ATOM 0 H MET A 27 0.280 7.010 -4.085 1.00 0.00 H new ATOM 0 HA MET A 27 -0.672 5.484 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.502 8.289 -2.478 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.742 7.171 -1.947 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.257 6.689 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.276 8.051 -0.419 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.162 8.142 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.739 6.814 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.681 7.194 2.166 1.00 0.00 H new ATOM 393 N ILE A 28 -2.682 4.698 -3.177 1.00 0.00 N ATOM 394 CA ILE A 28 -3.571 3.997 -4.096 1.00 0.00 C ATOM 395 C ILE A 28 -5.028 4.142 -3.670 1.00 0.00 C ATOM 396 O ILE A 28 -5.330 4.795 -2.673 1.00 0.00 O ATOM 397 CB ILE A 28 -3.220 2.500 -4.186 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.235 2.117 -3.079 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.641 2.173 -5.555 1.00 0.00 C ATOM 400 CD1 ILE A 28 -2.832 2.180 -1.691 1.00 0.00 C ATOM 0 H ILE A 28 -2.824 4.467 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.435 4.453 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.132 1.919 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.869 1.107 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.372 2.782 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.398 1.112 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.373 2.413 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.737 2.760 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.078 1.896 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.172 3.195 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.677 1.494 -1.627 1.00 0.00 H new ATOM 412 N GLU A 29 -5.925 3.525 -4.432 1.00 0.00 N ATOM 413 CA GLU A 29 -7.351 3.585 -4.133 1.00 0.00 C ATOM 414 C GLU A 29 -7.974 2.192 -4.173 1.00 0.00 C ATOM 415 O GLU A 29 -7.808 1.453 -5.144 1.00 0.00 O ATOM 416 CB GLU A 29 -8.066 4.505 -5.125 1.00 0.00 C ATOM 417 CG GLU A 29 -9.554 4.649 -4.858 1.00 0.00 C ATOM 418 CD GLU A 29 -10.381 3.608 -5.588 1.00 0.00 C ATOM 419 OE1 GLU A 29 -9.834 2.531 -5.903 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.575 3.871 -5.845 1.00 0.00 O ATOM 0 H GLU A 29 -5.690 2.978 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.468 3.988 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.603 5.491 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.922 4.119 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.737 4.567 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.879 5.644 -5.161 1.00 0.00 H new ATOM 427 N CYS A 30 -8.693 1.841 -3.112 1.00 0.00 N ATOM 428 CA CYS A 30 -9.341 0.538 -3.024 1.00 0.00 C ATOM 429 C CYS A 30 -10.634 0.518 -3.834 1.00 0.00 C ATOM 430 O CYS A 30 -11.507 1.366 -3.651 1.00 0.00 O ATOM 431 CB CYS A 30 -9.635 0.189 -1.564 1.00 0.00 C ATOM 432 SG CYS A 30 -10.595 -1.344 -1.345 1.00 0.00 S ATOM 0 H CYS A 30 -8.842 2.441 -2.301 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.662 -0.207 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.691 0.094 -1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.180 1.015 -1.107 1.00 0.00 H new ATOM 437 N GLY A 31 -10.750 -0.457 -4.731 1.00 0.00 N ATOM 438 CA GLY A 31 -11.939 -0.570 -5.555 1.00 0.00 C ATOM 439 C GLY A 31 -13.090 -1.233 -4.825 1.00 0.00 C ATOM 440 O GLY A 31 -14.015 -1.753 -5.450 1.00 0.00 O ATOM 0 H GLY A 31 -10.041 -1.171 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.245 0.423 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.703 -1.144 -6.451 1.00 0.00 H new ATOM 444 N LEU A 32 -13.033 -1.218 -3.498 1.00 0.00 N ATOM 445 CA LEU A 32 -14.079 -1.825 -2.680 1.00 0.00 C ATOM 446 C LEU A 32 -14.615 -0.830 -1.656 1.00 0.00 C ATOM 447 O LEU A 32 -15.808 -0.818 -1.351 1.00 0.00 O ATOM 448 CB LEU A 32 -13.541 -3.068 -1.969 1.00 0.00 C ATOM 449 CG LEU A 32 -12.964 -4.160 -2.870 1.00 0.00 C ATOM 450 CD1 LEU A 32 -12.533 -5.362 -2.043 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.980 -4.573 -3.925 1.00 0.00 C ATOM 0 H LEU A 32 -12.274 -0.793 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.898 -2.117 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.766 -2.755 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.348 -3.501 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.086 -3.760 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.125 -6.129 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.771 -5.056 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.394 -5.763 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.552 -5.351 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.877 -4.954 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.240 -3.710 -4.538 1.00 0.00 H new ATOM 463 N CYS A 33 -13.725 0.004 -1.128 1.00 0.00 N ATOM 464 CA CYS A 33 -14.108 1.004 -0.138 1.00 0.00 C ATOM 465 C CYS A 33 -13.913 2.415 -0.687 1.00 0.00 C ATOM 466 O CYS A 33 -14.397 3.388 -0.110 1.00 0.00 O ATOM 467 CB CYS A 33 -13.289 0.826 1.142 1.00 0.00 C ATOM 468 SG CYS A 33 -13.153 -0.902 1.702 1.00 0.00 S ATOM 0 H CYS A 33 -12.734 0.007 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.164 0.864 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.287 1.224 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.742 1.420 1.936 1.00 0.00 H new ATOM 473 N GLN A 34 -13.202 2.515 -1.806 1.00 0.00 N ATOM 474 CA GLN A 34 -12.943 3.806 -2.432 1.00 0.00 C ATOM 475 C GLN A 34 -12.071 4.681 -1.537 1.00 0.00 C ATOM 476 O GLN A 34 -12.104 5.908 -1.629 1.00 0.00 O ATOM 477 CB GLN A 34 -14.260 4.522 -2.737 1.00 0.00 C ATOM 478 CG GLN A 34 -15.198 3.719 -3.624 1.00 0.00 C ATOM 479 CD GLN A 34 -16.200 4.591 -4.354 1.00 0.00 C ATOM 480 OE1 GLN A 34 -15.887 5.711 -4.758 1.00 0.00 O ATOM 481 NE2 GLN A 34 -17.413 4.080 -4.528 1.00 0.00 N ATOM 0 H GLN A 34 -12.796 1.718 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.409 3.628 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.766 4.749 -1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.043 5.474 -3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.612 3.158 -4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.732 2.990 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.629 3.147 -4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.129 4.620 -5.013 1.00 0.00 H new ATOM 490 N ASP A 35 -11.292 4.041 -0.672 1.00 0.00 N ATOM 491 CA ASP A 35 -10.410 4.760 0.240 1.00 0.00 C ATOM 492 C ASP A 35 -8.997 4.850 -0.328 1.00 0.00 C ATOM 493 O ASP A 35 -8.715 4.319 -1.402 1.00 0.00 O ATOM 494 CB ASP A 35 -10.381 4.071 1.605 1.00 0.00 C ATOM 495 CG ASP A 35 -11.542 4.486 2.488 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.621 4.799 1.942 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.372 4.496 3.725 1.00 0.00 O ATOM 0 H ASP A 35 -11.253 3.026 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.799 5.771 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.404 2.990 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.443 4.307 2.108 1.00 0.00 H new ATOM 502 N TRP A 36 -8.115 5.526 0.399 1.00 0.00 N ATOM 503 CA TRP A 36 -6.731 5.687 -0.034 1.00 0.00 C ATOM 504 C TRP A 36 -5.765 5.208 1.044 1.00 0.00 C ATOM 505 O TRP A 36 -6.073 5.261 2.235 1.00 0.00 O ATOM 506 CB TRP A 36 -6.449 7.150 -0.376 1.00 0.00 C ATOM 507 CG TRP A 36 -7.094 7.597 -1.653 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.360 8.086 -1.804 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.505 7.594 -2.958 1.00 0.00 C ATOM 510 NE1 TRP A 36 -8.594 8.387 -3.124 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.471 8.095 -3.852 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.256 7.218 -3.458 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.225 8.228 -5.216 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.013 7.350 -4.812 1.00 0.00 C ATOM 515 CH2 TRP A 36 -5.993 7.852 -5.678 1.00 0.00 C ATOM 0 H TRP A 36 -8.333 5.971 1.290 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.582 5.078 -0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.801 7.781 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.372 7.297 -0.451 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.073 8.217 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.463 8.766 -3.501 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.494 6.831 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.979 8.614 -5.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.051 7.061 -5.209 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.772 7.944 -6.731 1.00 0.00 H new ATOM 526 N PHE A 37 -4.595 4.742 0.619 1.00 0.00 N ATOM 527 CA PHE A 37 -3.584 4.253 1.549 1.00 0.00 C ATOM 528 C PHE A 37 -2.182 4.449 0.979 1.00 0.00 C ATOM 529 O PHE A 37 -2.010 4.649 -0.223 1.00 0.00 O ATOM 530 CB PHE A 37 -3.819 2.773 1.859 1.00 0.00 C ATOM 531 CG PHE A 37 -5.158 2.496 2.479 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.293 2.393 1.691 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.283 2.339 3.850 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.527 2.137 2.259 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.514 2.083 4.423 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.638 1.983 3.626 1.00 0.00 C ATOM 0 H PHE A 37 -4.324 4.693 -0.363 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.666 4.827 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.728 2.198 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.036 2.422 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.213 2.514 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.408 2.418 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.404 2.058 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.597 1.961 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.602 1.785 4.072 1.00 0.00 H new ATOM 546 N HIS A 38 -1.181 4.390 1.853 1.00 0.00 N ATOM 547 CA HIS A 38 0.207 4.561 1.438 1.00 0.00 C ATOM 548 C HIS A 38 0.794 3.240 0.949 1.00 0.00 C ATOM 549 O HIS A 38 0.570 2.190 1.549 1.00 0.00 O ATOM 550 CB HIS A 38 1.043 5.107 2.595 1.00 0.00 C ATOM 551 CG HIS A 38 0.669 6.500 2.999 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.329 6.843 4.291 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.586 7.640 2.274 1.00 0.00 C ATOM 554 CE1 HIS A 38 0.050 8.133 4.342 1.00 0.00 C ATOM 555 NE2 HIS A 38 0.199 8.640 3.131 1.00 0.00 N ATOM 0 H HIS A 38 -1.305 4.225 2.852 1.00 0.00 H new ATOM 0 HA HIS A 38 0.230 5.275 0.615 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.933 4.446 3.455 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.095 5.090 2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.787 7.744 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.249 8.680 5.224 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.051 9.616 2.875 1.00 0.00 H new ATOM 563 N GLY A 39 1.547 3.302 -0.145 1.00 0.00 N ATOM 564 CA GLY A 39 2.153 2.104 -0.696 1.00 0.00 C ATOM 565 C GLY A 39 3.098 1.431 0.279 1.00 0.00 C ATOM 566 O GLY A 39 3.407 0.248 0.139 1.00 0.00 O ATOM 0 H GLY A 39 1.748 4.160 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.369 1.402 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.696 2.361 -1.605 1.00 0.00 H new ATOM 570 N SER A 40 3.561 2.187 1.270 1.00 0.00 N ATOM 571 CA SER A 40 4.481 1.658 2.270 1.00 0.00 C ATOM 572 C SER A 40 3.720 0.968 3.398 1.00 0.00 C ATOM 573 O SER A 40 4.183 -0.026 3.958 1.00 0.00 O ATOM 574 CB SER A 40 5.350 2.781 2.839 1.00 0.00 C ATOM 575 OG SER A 40 6.406 2.260 3.627 1.00 0.00 O ATOM 0 H SER A 40 3.314 3.168 1.402 1.00 0.00 H new ATOM 0 HA SER A 40 5.122 0.922 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.760 3.376 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.736 3.449 3.444 1.00 0.00 H new ATOM 0 HG SER A 40 6.947 2.998 3.978 1.00 0.00 H new ATOM 581 N CYS A 41 2.548 1.502 3.726 1.00 0.00 N ATOM 582 CA CYS A 41 1.720 0.940 4.786 1.00 0.00 C ATOM 583 C CYS A 41 0.989 -0.309 4.301 1.00 0.00 C ATOM 584 O CYS A 41 0.700 -1.215 5.083 1.00 0.00 O ATOM 585 CB CYS A 41 0.709 1.977 5.277 1.00 0.00 C ATOM 586 SG CYS A 41 1.463 3.523 5.878 1.00 0.00 S ATOM 0 H CYS A 41 2.150 2.324 3.272 1.00 0.00 H new ATOM 0 HA CYS A 41 2.373 0.660 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.022 2.212 4.464 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.115 1.539 6.079 1.00 0.00 H new ATOM 591 N VAL A 42 0.694 -0.350 3.006 1.00 0.00 N ATOM 592 CA VAL A 42 -0.002 -1.487 2.416 1.00 0.00 C ATOM 593 C VAL A 42 0.980 -2.458 1.771 1.00 0.00 C ATOM 594 O VAL A 42 0.812 -3.674 1.853 1.00 0.00 O ATOM 595 CB VAL A 42 -1.026 -1.032 1.359 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.990 -0.016 1.952 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.316 -0.458 0.142 1.00 0.00 C ATOM 0 H VAL A 42 0.926 0.391 2.345 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.528 -1.991 3.227 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.602 -1.900 1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.706 0.294 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.523 -0.466 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.433 0.853 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.055 -0.142 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.287 0.399 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.329 -1.220 -0.296 1.00 0.00 H new ATOM 607 N GLY A 43 2.009 -1.912 1.129 1.00 0.00 N ATOM 608 CA GLY A 43 3.004 -2.744 0.479 1.00 0.00 C ATOM 609 C GLY A 43 2.896 -2.705 -1.032 1.00 0.00 C ATOM 610 O GLY A 43 3.093 -3.719 -1.702 1.00 0.00 O ATOM 0 H GLY A 43 2.171 -0.908 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.999 -2.415 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.893 -3.773 0.822 1.00 0.00 H new ATOM 614 N ILE A 44 2.579 -1.532 -1.571 1.00 0.00 N ATOM 615 CA ILE A 44 2.444 -1.366 -3.012 1.00 0.00 C ATOM 616 C ILE A 44 3.353 -0.254 -3.525 1.00 0.00 C ATOM 617 O ILE A 44 3.461 0.806 -2.909 1.00 0.00 O ATOM 618 CB ILE A 44 0.990 -1.049 -3.409 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.088 -2.252 -3.126 1.00 0.00 C ATOM 620 CG2 ILE A 44 0.915 -0.657 -4.877 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.388 -1.930 -3.194 1.00 0.00 C ATOM 0 H ILE A 44 2.411 -0.683 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 44 2.738 -2.312 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 44 0.640 -0.208 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.313 -3.041 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.321 -2.645 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.119 -0.436 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.531 0.226 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.280 -1.480 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.967 -2.829 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.627 -1.163 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.635 -1.565 -4.191 1.00 0.00 H new ATOM 633 N GLU A 45 4.002 -0.502 -4.658 1.00 0.00 N ATOM 634 CA GLU A 45 4.901 0.479 -5.254 1.00 0.00 C ATOM 635 C GLU A 45 4.208 1.235 -6.384 1.00 0.00 C ATOM 636 O GLU A 45 3.250 0.742 -6.978 1.00 0.00 O ATOM 637 CB GLU A 45 6.163 -0.206 -5.782 1.00 0.00 C ATOM 638 CG GLU A 45 7.191 -0.504 -4.704 1.00 0.00 C ATOM 639 CD GLU A 45 7.256 0.580 -3.645 1.00 0.00 C ATOM 640 OE1 GLU A 45 7.610 1.727 -3.992 1.00 0.00 O ATOM 641 OE2 GLU A 45 6.954 0.283 -2.471 1.00 0.00 O ATOM 0 H GLU A 45 3.922 -1.374 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 45 5.182 1.194 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.882 -1.138 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.619 0.428 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.950 -1.456 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.173 -0.617 -5.164 1.00 0.00 H new ATOM 648 N GLU A 46 4.701 2.435 -6.676 1.00 0.00 N ATOM 649 CA GLU A 46 4.129 3.259 -7.733 1.00 0.00 C ATOM 650 C GLU A 46 4.297 2.591 -9.095 1.00 0.00 C ATOM 651 O GLU A 46 3.401 2.640 -9.936 1.00 0.00 O ATOM 652 CB GLU A 46 4.787 4.641 -7.746 1.00 0.00 C ATOM 653 CG GLU A 46 4.327 5.523 -8.895 1.00 0.00 C ATOM 654 CD GLU A 46 5.092 6.830 -8.968 1.00 0.00 C ATOM 655 OE1 GLU A 46 6.212 6.895 -8.421 1.00 0.00 O ATOM 656 OE2 GLU A 46 4.569 7.789 -9.574 1.00 0.00 O ATOM 0 H GLU A 46 5.495 2.857 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 46 3.064 3.374 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.573 5.145 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.869 4.519 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.447 4.983 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.264 5.734 -8.783 1.00 0.00 H new ATOM 663 N GLU A 47 5.453 1.968 -9.303 1.00 0.00 N ATOM 664 CA GLU A 47 5.739 1.291 -10.563 1.00 0.00 C ATOM 665 C GLU A 47 4.761 0.143 -10.798 1.00 0.00 C ATOM 666 O GLU A 47 4.516 -0.253 -11.937 1.00 0.00 O ATOM 667 CB GLU A 47 7.174 0.761 -10.568 1.00 0.00 C ATOM 668 CG GLU A 47 7.425 -0.328 -9.539 1.00 0.00 C ATOM 669 CD GLU A 47 8.819 -0.916 -9.640 1.00 0.00 C ATOM 670 OE1 GLU A 47 9.415 -0.847 -10.735 1.00 0.00 O ATOM 671 OE2 GLU A 47 9.314 -1.446 -8.623 1.00 0.00 O ATOM 0 H GLU A 47 6.206 1.918 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 47 5.623 2.015 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.405 0.372 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.859 1.589 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.279 0.081 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.690 -1.122 -9.669 1.00 0.00 H new ATOM 678 N ASN A 48 4.206 -0.385 -9.713 1.00 0.00 N ATOM 679 CA ASN A 48 3.256 -1.488 -9.800 1.00 0.00 C ATOM 680 C ASN A 48 1.827 -0.967 -9.926 1.00 0.00 C ATOM 681 O ASN A 48 0.986 -1.584 -10.578 1.00 0.00 O ATOM 682 CB ASN A 48 3.375 -2.390 -8.570 1.00 0.00 C ATOM 683 CG ASN A 48 4.689 -3.146 -8.532 1.00 0.00 C ATOM 684 OD1 ASN A 48 5.407 -3.215 -9.530 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.010 -3.717 -7.377 1.00 0.00 N ATOM 0 H ASN A 48 4.397 -0.067 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 48 3.492 -2.068 -10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.281 -1.785 -7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.549 -3.102 -8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.882 -4.239 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.384 -3.634 -6.576 1.00 0.00 H new ATOM 692 N ALA A 49 1.562 0.174 -9.297 1.00 0.00 N ATOM 693 CA ALA A 49 0.237 0.780 -9.341 1.00 0.00 C ATOM 694 C ALA A 49 -0.291 0.843 -10.770 1.00 0.00 C ATOM 695 O ALA A 49 -1.415 0.423 -11.046 1.00 0.00 O ATOM 696 CB ALA A 49 0.273 2.172 -8.727 1.00 0.00 C ATOM 0 H ALA A 49 2.247 0.697 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.441 0.156 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.723 2.613 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.599 2.104 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.969 2.798 -9.285 1.00 0.00 H new ATOM 702 N VAL A 50 0.527 1.371 -11.675 1.00 0.00 N ATOM 703 CA VAL A 50 0.142 1.488 -13.076 1.00 0.00 C ATOM 704 C VAL A 50 -0.361 0.156 -13.622 1.00 0.00 C ATOM 705 O VAL A 50 -1.105 0.116 -14.602 1.00 0.00 O ATOM 706 CB VAL A 50 1.319 1.974 -13.943 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.427 0.933 -13.971 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.845 2.299 -15.351 1.00 0.00 C ATOM 0 H VAL A 50 1.460 1.724 -11.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.662 2.223 -13.122 1.00 0.00 H new ATOM 0 HB VAL A 50 1.721 2.885 -13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.250 1.294 -14.588 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.785 0.755 -12.957 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.042 0.003 -14.388 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.690 2.641 -15.949 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.416 1.406 -15.806 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.089 3.083 -15.309 1.00 0.00 H new ATOM 718 N ASP A 51 0.051 -0.932 -12.982 1.00 0.00 N ATOM 719 CA ASP A 51 -0.359 -2.267 -13.401 1.00 0.00 C ATOM 720 C ASP A 51 -1.552 -2.752 -12.583 1.00 0.00 C ATOM 721 O ASP A 51 -2.239 -3.697 -12.971 1.00 0.00 O ATOM 722 CB ASP A 51 0.805 -3.249 -13.260 1.00 0.00 C ATOM 723 CG ASP A 51 1.883 -3.024 -14.303 1.00 0.00 C ATOM 724 OD1 ASP A 51 1.587 -2.382 -15.332 1.00 0.00 O ATOM 725 OD2 ASP A 51 3.021 -3.491 -14.090 1.00 0.00 O ATOM 0 H ASP A 51 0.669 -0.916 -12.171 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.657 -2.216 -14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.240 -3.152 -12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.429 -4.268 -13.345 1.00 0.00 H new ATOM 730 N ILE A 52 -1.790 -2.099 -11.451 1.00 0.00 N ATOM 731 CA ILE A 52 -2.900 -2.464 -10.579 1.00 0.00 C ATOM 732 C ILE A 52 -4.203 -1.830 -11.053 1.00 0.00 C ATOM 733 O ILE A 52 -4.426 -0.633 -10.870 1.00 0.00 O ATOM 734 CB ILE A 52 -2.635 -2.038 -9.123 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.376 -2.725 -8.589 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.836 -2.367 -8.248 1.00 0.00 C ATOM 737 CD1 ILE A 52 -0.950 -2.229 -7.224 1.00 0.00 C ATOM 0 H ILE A 52 -1.230 -1.315 -11.116 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.991 -3.549 -10.621 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.476 -0.960 -9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.552 -3.799 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.560 -2.569 -9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.634 -2.060 -7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.713 -1.836 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.023 -3.440 -8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.052 -2.759 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.742 -1.160 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.749 -2.410 -6.505 1.00 0.00 H new ATOM 749 N ASP A 53 -5.062 -2.641 -11.661 1.00 0.00 N ATOM 750 CA ASP A 53 -6.346 -2.161 -12.159 1.00 0.00 C ATOM 751 C ASP A 53 -7.282 -1.818 -11.005 1.00 0.00 C ATOM 752 O ASP A 53 -7.900 -0.752 -10.990 1.00 0.00 O ATOM 753 CB ASP A 53 -6.992 -3.212 -13.062 1.00 0.00 C ATOM 754 CG ASP A 53 -7.962 -2.604 -14.056 1.00 0.00 C ATOM 755 OD1 ASP A 53 -7.575 -1.641 -14.750 1.00 0.00 O ATOM 756 OD2 ASP A 53 -9.108 -3.093 -14.141 1.00 0.00 O ATOM 0 H ASP A 53 -4.892 -3.634 -11.821 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.168 -1.256 -12.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.213 -3.751 -13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.517 -3.942 -12.446 1.00 0.00 H new ATOM 761 N ILE A 54 -7.384 -2.727 -10.042 1.00 0.00 N ATOM 762 CA ILE A 54 -8.246 -2.521 -8.885 1.00 0.00 C ATOM 763 C ILE A 54 -7.532 -2.904 -7.593 1.00 0.00 C ATOM 764 O ILE A 54 -7.465 -4.080 -7.234 1.00 0.00 O ATOM 765 CB ILE A 54 -9.548 -3.335 -9.000 1.00 0.00 C ATOM 766 CG1 ILE A 54 -10.260 -3.015 -10.316 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.458 -3.048 -7.815 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.633 -3.640 -10.427 1.00 0.00 C ATOM 0 H ILE A 54 -6.880 -3.614 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.493 -1.460 -8.860 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.298 -4.396 -8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.353 -1.934 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.644 -3.360 -11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.374 -3.631 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.949 -3.321 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.704 -1.986 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.079 -3.371 -11.385 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.546 -4.724 -10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.265 -3.275 -9.617 1.00 0.00 H new ATOM 780 N TYR A 55 -7.002 -1.904 -6.897 1.00 0.00 N ATOM 781 CA TYR A 55 -6.293 -2.136 -5.644 1.00 0.00 C ATOM 782 C TYR A 55 -7.257 -2.572 -4.545 1.00 0.00 C ATOM 783 O TYR A 55 -8.395 -2.106 -4.481 1.00 0.00 O ATOM 784 CB TYR A 55 -5.548 -0.871 -5.214 1.00 0.00 C ATOM 785 CG TYR A 55 -5.175 -0.857 -3.749 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.413 -1.879 -3.196 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.585 0.178 -2.917 1.00 0.00 C ATOM 788 CE1 TYR A 55 -4.071 -1.870 -1.857 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.246 0.195 -1.578 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.490 -0.831 -1.053 1.00 0.00 C ATOM 791 OH TYR A 55 -4.150 -0.818 0.281 1.00 0.00 O ATOM 0 H TYR A 55 -7.050 -0.925 -7.179 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.571 -2.937 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.642 -0.772 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.169 -0.002 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.083 -2.694 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.179 0.983 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.479 -2.672 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.572 1.008 -0.946 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.788 -0.263 0.776 1.00 0.00 H new ATOM 801 N HIS A 56 -6.792 -3.467 -3.680 1.00 0.00 N ATOM 802 CA HIS A 56 -7.611 -3.966 -2.581 1.00 0.00 C ATOM 803 C HIS A 56 -6.962 -3.658 -1.235 1.00 0.00 C ATOM 804 O HIS A 56 -5.940 -4.245 -0.879 1.00 0.00 O ATOM 805 CB HIS A 56 -7.829 -5.473 -2.722 1.00 0.00 C ATOM 806 CG HIS A 56 -9.050 -5.830 -3.512 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.671 -7.058 -3.424 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.767 -5.111 -4.408 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.716 -7.080 -4.233 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.796 -5.910 -4.841 1.00 0.00 N ATOM 0 H HIS A 56 -5.852 -3.862 -3.719 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.576 -3.461 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.955 -5.915 -3.200 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.907 -5.915 -1.729 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.567 -4.098 -4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.390 -7.913 -4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.507 -5.643 -5.522 1.00 0.00 H new ATOM 819 N CYS A 57 -7.560 -2.732 -0.493 1.00 0.00 N ATOM 820 CA CYS A 57 -7.040 -2.345 0.813 1.00 0.00 C ATOM 821 C CYS A 57 -6.720 -3.574 1.658 1.00 0.00 C ATOM 822 O CYS A 57 -7.249 -4.664 1.439 1.00 0.00 O ATOM 823 CB CYS A 57 -8.050 -1.458 1.545 1.00 0.00 C ATOM 824 SG CYS A 57 -9.462 -2.367 2.250 1.00 0.00 S ATOM 0 H CYS A 57 -8.406 -2.235 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.119 -1.784 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.537 -0.926 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.426 -0.705 0.852 1.00 0.00 H new ATOM 829 N PRO A 58 -5.831 -3.397 2.647 1.00 0.00 N ATOM 830 CA PRO A 58 -5.421 -4.480 3.546 1.00 0.00 C ATOM 831 C PRO A 58 -6.539 -4.903 4.492 1.00 0.00 C ATOM 832 O PRO A 58 -6.327 -5.714 5.395 1.00 0.00 O ATOM 833 CB PRO A 58 -4.258 -3.868 4.331 1.00 0.00 C ATOM 834 CG PRO A 58 -4.506 -2.400 4.291 1.00 0.00 C ATOM 835 CD PRO A 58 -5.160 -2.126 2.965 1.00 0.00 C ATOM 0 HA PRO A 58 -5.155 -5.385 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.234 -4.238 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.299 -4.120 3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.149 -2.090 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.574 -1.844 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.870 -1.302 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.428 -1.857 2.204 1.00 0.00 H new ATOM 843 N ASP A 59 -7.728 -4.350 4.281 1.00 0.00 N ATOM 844 CA ASP A 59 -8.880 -4.672 5.115 1.00 0.00 C ATOM 845 C ASP A 59 -9.877 -5.539 4.353 1.00 0.00 C ATOM 846 O ASP A 59 -10.649 -6.288 4.952 1.00 0.00 O ATOM 847 CB ASP A 59 -9.562 -3.390 5.595 1.00 0.00 C ATOM 848 CG ASP A 59 -10.203 -3.551 6.960 1.00 0.00 C ATOM 849 OD1 ASP A 59 -10.767 -4.633 7.227 1.00 0.00 O ATOM 850 OD2 ASP A 59 -10.139 -2.596 7.761 1.00 0.00 O ATOM 0 H ASP A 59 -7.919 -3.676 3.539 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.526 -5.232 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.829 -2.585 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.322 -3.094 4.872 1.00 0.00 H new ATOM 855 N CYS A 60 -9.856 -5.432 3.029 1.00 0.00 N ATOM 856 CA CYS A 60 -10.758 -6.205 2.184 1.00 0.00 C ATOM 857 C CYS A 60 -10.105 -7.511 1.742 1.00 0.00 C ATOM 858 O CYS A 60 -10.775 -8.532 1.595 1.00 0.00 O ATOM 859 CB CYS A 60 -11.169 -5.387 0.958 1.00 0.00 C ATOM 860 SG CYS A 60 -12.154 -3.905 1.349 1.00 0.00 S ATOM 0 H CYS A 60 -9.223 -4.817 2.518 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.647 -6.444 2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.271 -5.082 0.420 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.743 -6.024 0.285 1.00 0.00 H new ATOM 865 N GLU A 61 -8.793 -7.469 1.533 1.00 0.00 N ATOM 866 CA GLU A 61 -8.049 -8.649 1.108 1.00 0.00 C ATOM 867 C GLU A 61 -8.236 -9.795 2.098 1.00 0.00 C ATOM 868 O GLU A 61 -7.968 -10.954 1.780 1.00 0.00 O ATOM 869 CB GLU A 61 -6.562 -8.319 0.967 1.00 0.00 C ATOM 870 CG GLU A 61 -5.688 -9.538 0.726 1.00 0.00 C ATOM 871 CD GLU A 61 -4.208 -9.211 0.762 1.00 0.00 C ATOM 872 OE1 GLU A 61 -3.808 -8.365 1.589 1.00 0.00 O ATOM 873 OE2 GLU A 61 -3.450 -9.801 -0.035 1.00 0.00 O ATOM 0 H GLU A 61 -8.224 -6.631 1.651 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.437 -8.962 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.430 -7.619 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.224 -7.813 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.908 -10.293 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.937 -9.973 -0.242 1.00 0.00 H new ATOM 880 N ALA A 62 -8.695 -9.463 3.300 1.00 0.00 N ATOM 881 CA ALA A 62 -8.919 -10.463 4.336 1.00 0.00 C ATOM 882 C ALA A 62 -10.209 -11.235 4.084 1.00 0.00 C ATOM 883 O ALA A 62 -10.518 -12.196 4.790 1.00 0.00 O ATOM 884 CB ALA A 62 -8.954 -9.805 5.707 1.00 0.00 C ATOM 0 H ALA A 62 -8.919 -8.508 3.580 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.091 -11.171 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.122 -10.564 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.004 -9.305 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.761 -9.073 5.739 1.00 0.00 H new ATOM 890 N VAL A 63 -10.962 -10.809 3.075 1.00 0.00 N ATOM 891 CA VAL A 63 -12.220 -11.460 2.730 1.00 0.00 C ATOM 892 C VAL A 63 -12.337 -11.666 1.224 1.00 0.00 C ATOM 893 O VAL A 63 -12.624 -12.769 0.758 1.00 0.00 O ATOM 894 CB VAL A 63 -13.428 -10.642 3.221 1.00 0.00 C ATOM 895 CG1 VAL A 63 -14.715 -11.435 3.050 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.237 -10.228 4.673 1.00 0.00 C ATOM 0 H VAL A 63 -10.722 -10.015 2.482 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.222 -12.430 3.227 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.502 -9.738 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.558 -10.841 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.856 -11.676 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.654 -12.357 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.100 -9.651 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.136 -11.118 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.338 -9.619 4.762 1.00 0.00 H new ATOM 906 N PHE A 64 -12.113 -10.597 0.467 1.00 0.00 N ATOM 907 CA PHE A 64 -12.194 -10.660 -0.987 1.00 0.00 C ATOM 908 C PHE A 64 -11.000 -11.412 -1.567 1.00 0.00 C ATOM 909 O PHE A 64 -11.158 -12.308 -2.394 1.00 0.00 O ATOM 910 CB PHE A 64 -12.259 -9.250 -1.577 1.00 0.00 C ATOM 911 CG PHE A 64 -13.598 -8.591 -1.411 1.00 0.00 C ATOM 912 CD1 PHE A 64 -13.947 -7.992 -0.212 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.509 -8.572 -2.455 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.179 -7.385 -0.056 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.743 -7.965 -2.305 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.078 -7.373 -1.104 1.00 0.00 C ATOM 0 H PHE A 64 -11.874 -9.677 0.837 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.103 -11.199 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.497 -8.631 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.016 -9.298 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.248 -7.999 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.253 -9.036 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.438 -6.921 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.444 -7.954 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.042 -6.901 -0.984 1.00 0.00 H new ATOM 926 N GLY A 65 -9.802 -11.038 -1.126 1.00 0.00 N ATOM 927 CA GLY A 65 -8.598 -11.686 -1.611 1.00 0.00 C ATOM 928 C GLY A 65 -7.588 -10.697 -2.160 1.00 0.00 C ATOM 929 O GLY A 65 -7.505 -9.552 -1.716 1.00 0.00 O ATOM 0 H GLY A 65 -9.645 -10.298 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.142 -12.253 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.863 -12.401 -2.390 1.00 0.00 H new ATOM 933 N PRO A 66 -6.798 -11.139 -3.149 1.00 0.00 N ATOM 934 CA PRO A 66 -5.774 -10.301 -3.779 1.00 0.00 C ATOM 935 C PRO A 66 -6.379 -9.188 -4.629 1.00 0.00 C ATOM 936 O PRO A 66 -7.583 -9.172 -4.881 1.00 0.00 O ATOM 937 CB PRO A 66 -5.002 -11.286 -4.660 1.00 0.00 C ATOM 938 CG PRO A 66 -5.973 -12.378 -4.950 1.00 0.00 C ATOM 939 CD PRO A 66 -6.843 -12.493 -3.728 1.00 0.00 C ATOM 0 HA PRO A 66 -5.154 -9.791 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.657 -10.810 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.119 -11.667 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.569 -12.146 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.456 -13.317 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.861 -12.786 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.462 -13.241 -3.032 1.00 0.00 H new ATOM 947 N SER A 67 -5.535 -8.259 -5.067 1.00 0.00 N ATOM 948 CA SER A 67 -5.987 -7.140 -5.885 1.00 0.00 C ATOM 949 C SER A 67 -5.953 -7.502 -7.367 1.00 0.00 C ATOM 950 O SER A 67 -5.163 -8.346 -7.793 1.00 0.00 O ATOM 951 CB SER A 67 -5.116 -5.909 -5.630 1.00 0.00 C ATOM 952 OG SER A 67 -5.110 -5.046 -6.753 1.00 0.00 O ATOM 0 H SER A 67 -4.534 -8.259 -4.869 1.00 0.00 H new ATOM 0 HA SER A 67 -7.016 -6.912 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.487 -5.372 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.097 -6.222 -5.403 1.00 0.00 H new ATOM 0 HG SER A 67 -6.023 -4.739 -6.935 1.00 0.00 H new ATOM 958 N ILE A 68 -6.815 -6.859 -8.147 1.00 0.00 N ATOM 959 CA ILE A 68 -6.884 -7.112 -9.580 1.00 0.00 C ATOM 960 C ILE A 68 -5.712 -6.464 -10.310 1.00 0.00 C ATOM 961 O ILE A 68 -5.075 -5.548 -9.791 1.00 0.00 O ATOM 962 CB ILE A 68 -8.201 -6.587 -10.182 1.00 0.00 C ATOM 963 CG1 ILE A 68 -9.390 -7.031 -9.327 1.00 0.00 C ATOM 964 CG2 ILE A 68 -8.360 -7.075 -11.614 1.00 0.00 C ATOM 965 CD1 ILE A 68 -9.520 -8.533 -9.206 1.00 0.00 C ATOM 0 H ILE A 68 -7.476 -6.159 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.839 -8.193 -9.711 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.171 -5.497 -10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.291 -6.602 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.307 -6.629 -9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.295 -6.696 -12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.526 -6.715 -12.216 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.373 -8.165 -11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.384 -8.775 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.651 -8.968 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.619 -8.940 -8.747 1.00 0.00 H new ATOM 977 N MET A 69 -5.433 -6.946 -11.516 1.00 0.00 N ATOM 978 CA MET A 69 -4.339 -6.412 -12.319 1.00 0.00 C ATOM 979 C MET A 69 -4.779 -6.196 -13.763 1.00 0.00 C ATOM 980 O MET A 69 -5.419 -7.059 -14.364 1.00 0.00 O ATOM 981 CB MET A 69 -3.138 -7.358 -12.276 1.00 0.00 C ATOM 982 CG MET A 69 -2.575 -7.562 -10.878 1.00 0.00 C ATOM 983 SD MET A 69 -0.812 -7.942 -10.889 1.00 0.00 S ATOM 984 CE MET A 69 -0.110 -6.297 -10.791 1.00 0.00 C ATOM 0 H MET A 69 -5.949 -7.706 -11.959 1.00 0.00 H new ATOM 0 HA MET A 69 -4.049 -5.449 -11.898 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.432 -8.325 -12.685 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.353 -6.965 -12.921 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.745 -6.662 -10.287 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.115 -8.372 -10.388 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.978 -6.365 -10.788 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.435 -5.711 -11.651 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.445 -5.812 -9.874 1.00 0.00 H new ATOM 994 N LYS A 70 -4.433 -5.038 -14.315 1.00 0.00 N ATOM 995 CA LYS A 70 -4.791 -4.707 -15.690 1.00 0.00 C ATOM 996 C LYS A 70 -4.389 -5.830 -16.641 1.00 0.00 C ATOM 997 O LYS A 70 -3.789 -6.821 -16.228 1.00 0.00 O ATOM 998 CB LYS A 70 -4.119 -3.400 -16.114 1.00 0.00 C ATOM 999 CG LYS A 70 -4.465 -2.220 -15.221 1.00 0.00 C ATOM 1000 CD LYS A 70 -4.272 -0.898 -15.944 1.00 0.00 C ATOM 1001 CE LYS A 70 -4.095 0.252 -14.965 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.804 1.535 -15.663 1.00 0.00 N ATOM 0 H LYS A 70 -3.905 -4.312 -13.831 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.873 -4.583 -15.738 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.038 -3.540 -16.114 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.410 -3.167 -17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.499 -2.306 -14.888 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.840 -2.242 -14.329 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.399 -0.962 -16.594 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.132 -0.703 -16.584 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.999 0.361 -14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.282 0.021 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.259 2.157 -15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.252 1.345 -16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.698 2.000 -15.921 1.00 0.00 H new ATOM 1016 N ASN A 71 -4.724 -5.666 -17.917 1.00 0.00 N ATOM 1017 CA ASN A 71 -4.397 -6.665 -18.927 1.00 0.00 C ATOM 1018 C ASN A 71 -3.344 -6.135 -19.896 1.00 0.00 C ATOM 1019 O ASN A 71 -3.627 -5.908 -21.072 1.00 0.00 O ATOM 1020 CB ASN A 71 -5.654 -7.074 -19.697 1.00 0.00 C ATOM 1021 CG ASN A 71 -5.411 -8.253 -20.619 1.00 0.00 C ATOM 1022 OD1 ASN A 71 -5.034 -8.082 -21.778 1.00 0.00 O ATOM 1023 ND2 ASN A 71 -5.626 -9.459 -20.106 1.00 0.00 N ATOM 0 H ASN A 71 -5.222 -4.851 -18.275 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.990 -7.539 -18.418 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.444 -7.327 -18.989 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.010 -6.226 -20.282 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.479 -10.290 -20.678 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.938 -9.554 -19.140 1.00 0.00 H new ATOM 1030 N TRP A 72 -2.130 -5.942 -19.393 1.00 0.00 N ATOM 1031 CA TRP A 72 -1.034 -5.439 -20.215 1.00 0.00 C ATOM 1032 C TRP A 72 -0.430 -6.555 -21.059 1.00 0.00 C ATOM 1033 O TRP A 72 0.791 -6.677 -21.163 1.00 0.00 O ATOM 1034 CB TRP A 72 0.045 -4.809 -19.332 1.00 0.00 C ATOM 1035 CG TRP A 72 -0.445 -3.633 -18.543 1.00 0.00 C ATOM 1036 CD1 TRP A 72 -0.956 -3.650 -17.277 1.00 0.00 C ATOM 1037 CD2 TRP A 72 -0.472 -2.266 -18.970 1.00 0.00 C ATOM 1038 NE1 TRP A 72 -1.299 -2.377 -16.891 1.00 0.00 N ATOM 1039 CE2 TRP A 72 -1.011 -1.510 -17.911 1.00 0.00 C ATOM 1040 CE3 TRP A 72 -0.090 -1.608 -20.142 1.00 0.00 C ATOM 1041 CZ2 TRP A 72 -1.178 -0.130 -17.992 1.00 0.00 C ATOM 1042 CZ3 TRP A 72 -0.257 -0.238 -20.221 1.00 0.00 C ATOM 1043 CH2 TRP A 72 -0.796 0.489 -19.152 1.00 0.00 C ATOM 0 H TRP A 72 -1.879 -6.126 -18.421 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.435 -4.679 -20.885 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.429 -5.564 -18.645 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.879 -4.495 -19.959 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.073 -4.534 -16.668 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.703 -2.119 -15.990 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.328 -2.160 -20.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.594 0.432 -17.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.033 0.281 -21.123 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.913 1.559 -19.245 1.00 0.00 H new ATOM 1054 N HIS A 73 -1.292 -7.369 -21.661 1.00 0.00 N ATOM 1055 CA HIS A 73 -0.842 -8.476 -22.498 1.00 0.00 C ATOM 1056 C HIS A 73 0.427 -9.104 -21.931 1.00 0.00 C ATOM 1057 O HIS A 73 1.364 -9.410 -22.669 1.00 0.00 O ATOM 1058 CB HIS A 73 -0.592 -7.993 -23.927 1.00 0.00 C ATOM 1059 CG HIS A 73 -1.845 -7.654 -24.673 1.00 0.00 C ATOM 1060 ND1 HIS A 73 -2.279 -8.359 -25.776 1.00 0.00 N ATOM 1061 CD2 HIS A 73 -2.761 -6.679 -24.467 1.00 0.00 C ATOM 1062 CE1 HIS A 73 -3.406 -7.831 -26.218 1.00 0.00 C ATOM 1063 NE2 HIS A 73 -3.721 -6.810 -25.441 1.00 0.00 N ATOM 0 H HIS A 73 -2.305 -7.283 -21.585 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.626 -9.233 -22.510 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.052 -7.114 -23.897 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.052 -8.766 -24.474 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.741 -5.936 -23.683 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.974 -8.175 -27.070 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.543 -6.216 -25.547 1.00 0.00 H new ATOM 1072 N SER A 74 0.451 -9.294 -20.615 1.00 0.00 N ATOM 1073 CA SER A 74 1.608 -9.882 -19.948 1.00 0.00 C ATOM 1074 C SER A 74 1.314 -11.315 -19.515 1.00 0.00 C ATOM 1075 O SER A 74 0.159 -11.696 -19.334 1.00 0.00 O ATOM 1076 CB SER A 74 2.004 -9.041 -18.733 1.00 0.00 C ATOM 1077 OG SER A 74 3.169 -9.557 -18.114 1.00 0.00 O ATOM 0 H SER A 74 -0.317 -9.050 -19.990 1.00 0.00 H new ATOM 0 HA SER A 74 2.437 -9.897 -20.656 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.178 -8.010 -19.041 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.184 -9.024 -18.015 1.00 0.00 H new ATOM 0 HG SER A 74 3.402 -9.001 -17.341 1.00 0.00 H new ATOM 1083 N GLY A 75 2.371 -12.105 -19.352 1.00 0.00 N ATOM 1084 CA GLY A 75 2.207 -13.487 -18.942 1.00 0.00 C ATOM 1085 C GLY A 75 2.192 -13.647 -17.434 1.00 0.00 C ATOM 1086 O GLY A 75 3.072 -13.156 -16.727 1.00 0.00 O ATOM 0 H GLY A 75 3.337 -11.812 -19.497 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.277 -13.877 -19.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.017 -14.085 -19.360 1.00 0.00 H new ATOM 1090 N PRO A 76 1.170 -14.347 -16.920 1.00 0.00 N ATOM 1091 CA PRO A 76 1.017 -14.585 -15.482 1.00 0.00 C ATOM 1092 C PRO A 76 2.074 -15.540 -14.937 1.00 0.00 C ATOM 1093 O PRO A 76 2.388 -16.555 -15.560 1.00 0.00 O ATOM 1094 CB PRO A 76 -0.376 -15.210 -15.371 1.00 0.00 C ATOM 1095 CG PRO A 76 -0.617 -15.836 -16.701 1.00 0.00 C ATOM 1096 CD PRO A 76 0.085 -14.961 -17.704 1.00 0.00 C ATOM 0 HA PRO A 76 1.135 -13.669 -14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.415 -15.950 -14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.131 -14.457 -15.145 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.227 -16.853 -16.730 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.684 -15.898 -16.916 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.473 -15.541 -18.542 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.585 -14.209 -18.120 1.00 0.00 H new ATOM 1104 N SER A 77 2.619 -15.210 -13.771 1.00 0.00 N ATOM 1105 CA SER A 77 3.643 -16.037 -13.144 1.00 0.00 C ATOM 1106 C SER A 77 3.755 -15.728 -11.654 1.00 0.00 C ATOM 1107 O SER A 77 3.133 -14.789 -11.156 1.00 0.00 O ATOM 1108 CB SER A 77 4.995 -15.815 -13.825 1.00 0.00 C ATOM 1109 OG SER A 77 5.587 -14.600 -13.400 1.00 0.00 O ATOM 0 H SER A 77 2.368 -14.375 -13.241 1.00 0.00 H new ATOM 0 HA SER A 77 3.352 -17.081 -13.260 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.661 -16.647 -13.597 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.863 -15.800 -14.907 1.00 0.00 H new ATOM 0 HG SER A 77 6.450 -14.482 -13.848 1.00 0.00 H new ATOM 1115 N SER A 78 4.551 -16.525 -10.949 1.00 0.00 N ATOM 1116 CA SER A 78 4.742 -16.339 -9.515 1.00 0.00 C ATOM 1117 C SER A 78 6.067 -15.639 -9.229 1.00 0.00 C ATOM 1118 O SER A 78 7.065 -15.873 -9.909 1.00 0.00 O ATOM 1119 CB SER A 78 4.700 -17.689 -8.795 1.00 0.00 C ATOM 1120 OG SER A 78 3.371 -18.045 -8.457 1.00 0.00 O ATOM 0 H SER A 78 5.074 -17.305 -11.347 1.00 0.00 H new ATOM 0 HA SER A 78 3.932 -15.711 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.135 -18.459 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.308 -17.642 -7.892 1.00 0.00 H new ATOM 0 HG SER A 78 3.371 -18.912 -8.000 1.00 0.00 H new ATOM 1126 N GLY A 79 6.067 -14.777 -8.217 1.00 0.00 N ATOM 1127 CA GLY A 79 7.274 -14.055 -7.858 1.00 0.00 C ATOM 1128 C GLY A 79 7.493 -14.001 -6.359 1.00 0.00 C ATOM 1129 O GLY A 79 8.629 -14.161 -5.914 1.00 0.00 O ATOM 0 H GLY A 79 5.253 -14.566 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.133 -14.532 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.217 -13.040 -8.251 1.00 0.00 H new TER 1133 GLY A 79 HETATM 1134 ZN ZN A 201 -0.152 5.198 5.846 1.00 0.00 ZN HETATM 1135 ZN ZN A 401 -11.219 -1.857 0.823 1.00 0.00 ZN