USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0832 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 3 SER OG : rot 40:sc= 1.3 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -14:sc= 0.838 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.478) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 22 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.27) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.19! C(o=-5.2!,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 98:sc= 0.711 USER MOD Single : A 49 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.077) USER MOD Single : A 50 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.3) USER MOD Single : A 59 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.51! C(o=-2.5!,f=-7.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= -0.281 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.575 -58.376 32.739 1.00 0.00 N ATOM 2 CA GLY A 1 17.362 -57.644 32.425 1.00 0.00 C ATOM 3 C GLY A 1 17.614 -56.480 31.488 1.00 0.00 C ATOM 4 O GLY A 1 18.750 -56.034 31.331 1.00 0.00 O ATOM 0 H1 GLY A 1 18.514 -59.335 32.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.394 -57.883 32.330 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.687 -58.435 33.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.639 -58.322 31.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.916 -57.274 33.348 1.00 0.00 H new ATOM 8 N SER A 2 16.550 -55.987 30.860 1.00 0.00 N ATOM 9 CA SER A 2 16.662 -54.871 29.928 1.00 0.00 C ATOM 10 C SER A 2 15.285 -54.426 29.446 1.00 0.00 C ATOM 11 O SER A 2 14.280 -55.090 29.703 1.00 0.00 O ATOM 12 CB SER A 2 17.531 -55.263 28.732 1.00 0.00 C ATOM 13 OG SER A 2 17.881 -54.127 27.961 1.00 0.00 O ATOM 0 H SER A 2 15.602 -56.343 30.980 1.00 0.00 H new ATOM 0 HA SER A 2 17.131 -54.038 30.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.435 -55.761 29.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.995 -55.979 28.108 1.00 0.00 H new ATOM 0 HG SER A 2 18.438 -54.404 27.204 1.00 0.00 H new ATOM 19 N SER A 3 15.246 -53.296 28.746 1.00 0.00 N ATOM 20 CA SER A 3 13.992 -52.759 28.231 1.00 0.00 C ATOM 21 C SER A 3 14.249 -51.575 27.303 1.00 0.00 C ATOM 22 O SER A 3 15.384 -51.125 27.153 1.00 0.00 O ATOM 23 CB SER A 3 13.085 -52.329 29.385 1.00 0.00 C ATOM 24 OG SER A 3 12.251 -53.396 29.803 1.00 0.00 O ATOM 0 H SER A 3 16.068 -52.735 28.523 1.00 0.00 H new ATOM 0 HA SER A 3 13.495 -53.544 27.661 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.694 -51.989 30.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.471 -51.484 29.074 1.00 0.00 H new ATOM 0 HG SER A 3 12.762 -54.232 29.796 1.00 0.00 H new ATOM 30 N GLY A 4 13.185 -51.076 26.682 1.00 0.00 N ATOM 31 CA GLY A 4 13.315 -49.950 25.776 1.00 0.00 C ATOM 32 C GLY A 4 12.092 -49.767 24.899 1.00 0.00 C ATOM 33 O GLY A 4 11.297 -50.692 24.729 1.00 0.00 O ATOM 0 H GLY A 4 12.235 -51.431 26.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.484 -49.041 26.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.192 -50.095 25.145 1.00 0.00 H new ATOM 37 N SER A 5 11.939 -48.571 24.341 1.00 0.00 N ATOM 38 CA SER A 5 10.801 -48.268 23.481 1.00 0.00 C ATOM 39 C SER A 5 10.951 -46.888 22.847 1.00 0.00 C ATOM 40 O SER A 5 11.701 -46.045 23.339 1.00 0.00 O ATOM 41 CB SER A 5 9.499 -48.335 24.281 1.00 0.00 C ATOM 42 OG SER A 5 9.472 -47.347 25.297 1.00 0.00 O ATOM 0 H SER A 5 12.589 -47.795 24.469 1.00 0.00 H new ATOM 0 HA SER A 5 10.770 -49.013 22.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.650 -48.196 23.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.394 -49.324 24.728 1.00 0.00 H new ATOM 0 HG SER A 5 8.629 -47.410 25.792 1.00 0.00 H new ATOM 48 N SER A 6 10.233 -46.666 21.752 1.00 0.00 N ATOM 49 CA SER A 6 10.288 -45.390 21.047 1.00 0.00 C ATOM 50 C SER A 6 9.131 -45.264 20.060 1.00 0.00 C ATOM 51 O SER A 6 8.355 -46.200 19.874 1.00 0.00 O ATOM 52 CB SER A 6 11.620 -45.249 20.308 1.00 0.00 C ATOM 53 OG SER A 6 12.706 -45.218 21.218 1.00 0.00 O ATOM 0 H SER A 6 9.606 -47.353 21.333 1.00 0.00 H new ATOM 0 HA SER A 6 10.203 -44.592 21.784 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.745 -46.081 19.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.614 -44.336 19.712 1.00 0.00 H new ATOM 0 HG SER A 6 12.368 -45.070 22.126 1.00 0.00 H new ATOM 59 N GLY A 7 9.022 -44.098 19.431 1.00 0.00 N ATOM 60 CA GLY A 7 7.958 -43.869 18.471 1.00 0.00 C ATOM 61 C GLY A 7 7.426 -42.450 18.522 1.00 0.00 C ATOM 62 O GLY A 7 6.836 -42.036 19.521 1.00 0.00 O ATOM 0 H GLY A 7 9.652 -43.308 19.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.327 -44.079 17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.143 -44.566 18.664 1.00 0.00 H new ATOM 66 N LEU A 8 7.637 -41.703 17.445 1.00 0.00 N ATOM 67 CA LEU A 8 7.176 -40.321 17.370 1.00 0.00 C ATOM 68 C LEU A 8 6.644 -39.998 15.978 1.00 0.00 C ATOM 69 O LEU A 8 7.369 -40.091 14.987 1.00 0.00 O ATOM 70 CB LEU A 8 8.314 -39.363 17.728 1.00 0.00 C ATOM 71 CG LEU A 8 8.440 -38.992 19.206 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.784 -38.336 19.480 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.301 -38.073 19.624 1.00 0.00 C ATOM 0 H LEU A 8 8.124 -42.031 16.611 1.00 0.00 H new ATOM 0 HA LEU A 8 6.364 -40.196 18.087 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.254 -39.811 17.405 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.184 -38.446 17.154 1.00 0.00 H new ATOM 0 HG LEU A 8 8.379 -39.906 19.796 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.855 -38.079 20.537 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.586 -39.027 19.220 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.876 -37.431 18.880 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.407 -37.819 20.679 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.331 -37.162 19.027 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.349 -38.579 19.466 1.00 0.00 H new ATOM 85 N LEU A 9 5.373 -39.617 15.910 1.00 0.00 N ATOM 86 CA LEU A 9 4.743 -39.278 14.639 1.00 0.00 C ATOM 87 C LEU A 9 4.571 -37.768 14.502 1.00 0.00 C ATOM 88 O LEU A 9 4.848 -37.016 15.435 1.00 0.00 O ATOM 89 CB LEU A 9 3.384 -39.971 14.519 1.00 0.00 C ATOM 90 CG LEU A 9 3.385 -41.488 14.710 1.00 0.00 C ATOM 91 CD1 LEU A 9 3.165 -41.842 16.172 1.00 0.00 C ATOM 92 CD2 LEU A 9 2.321 -42.136 13.836 1.00 0.00 C ATOM 0 H LEU A 9 4.759 -39.535 16.720 1.00 0.00 H new ATOM 0 HA LEU A 9 5.393 -39.626 13.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.709 -39.533 15.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.971 -39.749 13.535 1.00 0.00 H new ATOM 0 HG LEU A 9 4.359 -41.873 14.407 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.169 -42.926 16.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.963 -41.409 16.775 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.205 -41.445 16.502 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.336 -43.216 13.985 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.340 -41.746 14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.524 -41.911 12.789 1.00 0.00 H new ATOM 104 N GLU A 10 4.109 -37.334 13.333 1.00 0.00 N ATOM 105 CA GLU A 10 3.899 -35.914 13.076 1.00 0.00 C ATOM 106 C GLU A 10 2.870 -35.709 11.967 1.00 0.00 C ATOM 107 O GLU A 10 2.969 -36.308 10.896 1.00 0.00 O ATOM 108 CB GLU A 10 5.219 -35.242 12.693 1.00 0.00 C ATOM 109 CG GLU A 10 5.242 -33.747 12.967 1.00 0.00 C ATOM 110 CD GLU A 10 5.364 -33.426 14.444 1.00 0.00 C ATOM 111 OE1 GLU A 10 6.403 -33.775 15.042 1.00 0.00 O ATOM 112 OE2 GLU A 10 4.420 -32.828 15.001 1.00 0.00 O ATOM 0 H GLU A 10 3.873 -37.944 12.550 1.00 0.00 H new ATOM 0 HA GLU A 10 3.519 -35.457 13.990 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.032 -35.716 13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.410 -35.412 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.077 -33.296 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.331 -33.296 12.575 1.00 0.00 H new ATOM 119 N ILE A 11 1.884 -34.860 12.234 1.00 0.00 N ATOM 120 CA ILE A 11 0.838 -34.575 11.259 1.00 0.00 C ATOM 121 C ILE A 11 0.799 -33.090 10.912 1.00 0.00 C ATOM 122 O ILE A 11 0.792 -32.234 11.797 1.00 0.00 O ATOM 123 CB ILE A 11 -0.547 -35.005 11.778 1.00 0.00 C ATOM 124 CG1 ILE A 11 -0.476 -36.410 12.381 1.00 0.00 C ATOM 125 CG2 ILE A 11 -1.572 -34.957 10.655 1.00 0.00 C ATOM 126 CD1 ILE A 11 -1.727 -36.810 13.131 1.00 0.00 C ATOM 0 H ILE A 11 1.787 -34.358 13.116 1.00 0.00 H new ATOM 0 HA ILE A 11 1.077 -35.149 10.364 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.858 -34.310 12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.295 -37.130 11.583 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.376 -36.463 13.058 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.546 -35.264 11.038 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.638 -33.941 10.266 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.267 -35.632 9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.605 -37.817 13.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.899 -36.112 13.951 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.580 -36.790 12.453 1.00 0.00 H new ATOM 138 N LYS A 12 0.772 -32.792 9.618 1.00 0.00 N ATOM 139 CA LYS A 12 0.731 -31.411 9.151 1.00 0.00 C ATOM 140 C LYS A 12 -0.101 -31.291 7.878 1.00 0.00 C ATOM 141 O LYS A 12 -0.093 -32.187 7.034 1.00 0.00 O ATOM 142 CB LYS A 12 2.149 -30.894 8.898 1.00 0.00 C ATOM 143 CG LYS A 12 2.903 -31.683 7.842 1.00 0.00 C ATOM 144 CD LYS A 12 2.689 -31.103 6.453 1.00 0.00 C ATOM 145 CE LYS A 12 3.579 -29.894 6.211 1.00 0.00 C ATOM 146 NZ LYS A 12 3.113 -29.086 5.050 1.00 0.00 N ATOM 0 H LYS A 12 0.778 -33.489 8.873 1.00 0.00 H new ATOM 0 HA LYS A 12 0.264 -30.805 9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.097 -29.849 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.710 -30.924 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.967 -31.683 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.573 -32.722 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.898 -31.866 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.644 -30.817 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.595 -29.270 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.602 -30.226 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.746 -28.271 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.122 -29.674 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.146 -28.748 5.228 1.00 0.00 H new ATOM 160 N ARG A 13 -0.816 -30.179 7.747 1.00 0.00 N ATOM 161 CA ARG A 13 -1.653 -29.943 6.576 1.00 0.00 C ATOM 162 C ARG A 13 -2.084 -28.481 6.502 1.00 0.00 C ATOM 163 O ARG A 13 -1.848 -27.705 7.429 1.00 0.00 O ATOM 164 CB ARG A 13 -2.885 -30.848 6.612 1.00 0.00 C ATOM 165 CG ARG A 13 -3.630 -30.810 7.937 1.00 0.00 C ATOM 166 CD ARG A 13 -4.721 -29.750 7.932 1.00 0.00 C ATOM 167 NE ARG A 13 -5.529 -29.790 9.148 1.00 0.00 N ATOM 168 CZ ARG A 13 -6.783 -29.357 9.211 1.00 0.00 C ATOM 169 NH1 ARG A 13 -7.369 -28.854 8.134 1.00 0.00 N ATOM 170 NH2 ARG A 13 -7.453 -29.428 10.354 1.00 0.00 N ATOM 0 H ARG A 13 -0.833 -29.427 8.436 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.066 -30.176 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.566 -30.553 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.578 -31.874 6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.071 -31.787 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.927 -30.607 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.268 -28.764 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.364 -29.896 7.064 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.107 -30.171 9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.857 -28.799 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.332 -28.522 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.005 -29.815 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.416 -29.095 10.402 1.00 0.00 H new ATOM 184 N LYS A 14 -2.718 -28.112 5.394 1.00 0.00 N ATOM 185 CA LYS A 14 -3.184 -26.744 5.198 1.00 0.00 C ATOM 186 C LYS A 14 -4.693 -26.649 5.399 1.00 0.00 C ATOM 187 O LYS A 14 -5.164 -26.039 6.357 1.00 0.00 O ATOM 188 CB LYS A 14 -2.812 -26.253 3.797 1.00 0.00 C ATOM 189 CG LYS A 14 -1.331 -25.964 3.627 1.00 0.00 C ATOM 190 CD LYS A 14 -1.073 -25.057 2.435 1.00 0.00 C ATOM 191 CE LYS A 14 0.269 -24.351 2.552 1.00 0.00 C ATOM 192 NZ LYS A 14 0.742 -23.838 1.236 1.00 0.00 N ATOM 0 H LYS A 14 -2.921 -28.742 4.618 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.697 -26.110 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.113 -27.004 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.378 -25.348 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.945 -25.496 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.789 -26.901 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.097 -25.645 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.870 -24.317 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.184 -23.523 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.008 -25.041 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.659 -23.364 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.848 -24.631 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.049 -23.160 0.858 1.00 0.00 H new ATOM 206 N GLY A 15 -5.446 -27.259 4.488 1.00 0.00 N ATOM 207 CA GLY A 15 -6.893 -27.232 4.584 1.00 0.00 C ATOM 208 C GLY A 15 -7.565 -27.893 3.396 1.00 0.00 C ATOM 209 O GLY A 15 -7.507 -27.382 2.278 1.00 0.00 O ATOM 0 H GLY A 15 -5.079 -27.771 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.203 -27.736 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.230 -26.198 4.659 1.00 0.00 H new ATOM 213 N ALA A 16 -8.204 -29.033 3.639 1.00 0.00 N ATOM 214 CA ALA A 16 -8.890 -29.765 2.581 1.00 0.00 C ATOM 215 C ALA A 16 -10.322 -30.097 2.984 1.00 0.00 C ATOM 216 O ALA A 16 -10.558 -30.981 3.808 1.00 0.00 O ATOM 217 CB ALA A 16 -8.127 -31.036 2.239 1.00 0.00 C ATOM 0 H ALA A 16 -8.261 -29.469 4.559 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.928 -29.128 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.650 -31.573 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.124 -30.778 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.060 -31.669 3.124 1.00 0.00 H new ATOM 223 N LYS A 17 -11.278 -29.383 2.398 1.00 0.00 N ATOM 224 CA LYS A 17 -12.688 -29.602 2.695 1.00 0.00 C ATOM 225 C LYS A 17 -13.361 -30.400 1.582 1.00 0.00 C ATOM 226 O LYS A 17 -14.125 -31.328 1.847 1.00 0.00 O ATOM 227 CB LYS A 17 -13.405 -28.263 2.881 1.00 0.00 C ATOM 228 CG LYS A 17 -14.794 -28.395 3.481 1.00 0.00 C ATOM 229 CD LYS A 17 -15.490 -27.047 3.579 1.00 0.00 C ATOM 230 CE LYS A 17 -15.199 -26.366 4.908 1.00 0.00 C ATOM 231 NZ LYS A 17 -13.997 -25.490 4.831 1.00 0.00 N ATOM 0 H LYS A 17 -11.101 -28.647 1.714 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.754 -30.175 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.800 -27.623 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.482 -27.764 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -15.392 -29.071 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.722 -28.841 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.162 -26.406 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.566 -27.182 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.062 -25.772 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.048 -27.122 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.069 -24.738 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.143 -26.056 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.938 -25.064 3.884 1.00 0.00 H new ATOM 245 N ARG A 18 -13.069 -30.034 0.338 1.00 0.00 N ATOM 246 CA ARG A 18 -13.646 -30.716 -0.814 1.00 0.00 C ATOM 247 C ARG A 18 -12.556 -31.154 -1.788 1.00 0.00 C ATOM 248 O ARG A 18 -12.560 -32.285 -2.272 1.00 0.00 O ATOM 249 CB ARG A 18 -14.645 -29.803 -1.527 1.00 0.00 C ATOM 250 CG ARG A 18 -15.869 -29.469 -0.690 1.00 0.00 C ATOM 251 CD ARG A 18 -16.781 -30.675 -0.530 1.00 0.00 C ATOM 252 NE ARG A 18 -17.805 -30.456 0.488 1.00 0.00 N ATOM 253 CZ ARG A 18 -18.864 -29.675 0.309 1.00 0.00 C ATOM 254 NH1 ARG A 18 -19.038 -29.042 -0.843 1.00 0.00 N ATOM 255 NH2 ARG A 18 -19.753 -29.526 1.283 1.00 0.00 N ATOM 0 H ARG A 18 -12.436 -29.269 0.102 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.168 -31.603 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.143 -28.877 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.967 -30.283 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.554 -29.117 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.421 -28.654 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.260 -30.896 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.185 -31.547 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.701 -30.929 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.358 -29.154 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.852 -28.443 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.623 -30.012 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.566 -28.926 1.144 1.00 0.00 H new ATOM 269 N GLY A 19 -11.624 -30.249 -2.071 1.00 0.00 N ATOM 270 CA GLY A 19 -10.541 -30.560 -2.986 1.00 0.00 C ATOM 271 C GLY A 19 -9.580 -29.401 -3.163 1.00 0.00 C ATOM 272 O GLY A 19 -8.779 -29.110 -2.275 1.00 0.00 O ATOM 0 H GLY A 19 -11.600 -29.306 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.995 -31.428 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.956 -30.835 -3.956 1.00 0.00 H new ATOM 276 N SER A 20 -9.658 -28.740 -4.313 1.00 0.00 N ATOM 277 CA SER A 20 -8.785 -27.610 -4.606 1.00 0.00 C ATOM 278 C SER A 20 -8.769 -26.620 -3.444 1.00 0.00 C ATOM 279 O SER A 20 -9.758 -26.474 -2.727 1.00 0.00 O ATOM 280 CB SER A 20 -9.239 -26.905 -5.885 1.00 0.00 C ATOM 281 OG SER A 20 -9.156 -27.772 -7.003 1.00 0.00 O ATOM 0 H SER A 20 -10.317 -28.968 -5.057 1.00 0.00 H new ATOM 0 HA SER A 20 -7.774 -27.992 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.265 -26.556 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.621 -26.024 -6.057 1.00 0.00 H new ATOM 0 HG SER A 20 -9.453 -27.298 -7.807 1.00 0.00 H new ATOM 287 N GLN A 21 -7.638 -25.944 -3.267 1.00 0.00 N ATOM 288 CA GLN A 21 -7.493 -24.969 -2.193 1.00 0.00 C ATOM 289 C GLN A 21 -7.145 -23.593 -2.750 1.00 0.00 C ATOM 290 O GLN A 21 -6.162 -22.975 -2.339 1.00 0.00 O ATOM 291 CB GLN A 21 -6.413 -25.421 -1.208 1.00 0.00 C ATOM 292 CG GLN A 21 -5.056 -25.650 -1.855 1.00 0.00 C ATOM 293 CD GLN A 21 -4.007 -26.113 -0.864 1.00 0.00 C ATOM 294 OE1 GLN A 21 -3.955 -25.637 0.270 1.00 0.00 O ATOM 295 NE2 GLN A 21 -3.164 -27.048 -1.288 1.00 0.00 N ATOM 0 H GLN A 21 -6.810 -26.054 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.446 -24.898 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.311 -24.670 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.736 -26.343 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.156 -26.393 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.722 -24.726 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.244 -27.414 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.437 -27.400 -0.665 1.00 0.00 H new ATOM 304 N HIS A 22 -7.958 -23.118 -3.689 1.00 0.00 N ATOM 305 CA HIS A 22 -7.736 -21.813 -4.303 1.00 0.00 C ATOM 306 C HIS A 22 -8.063 -20.689 -3.324 1.00 0.00 C ATOM 307 O HIS A 22 -9.184 -20.182 -3.298 1.00 0.00 O ATOM 308 CB HIS A 22 -8.587 -21.669 -5.565 1.00 0.00 C ATOM 309 CG HIS A 22 -10.015 -22.080 -5.375 1.00 0.00 C ATOM 310 ND1 HIS A 22 -10.985 -21.228 -4.892 1.00 0.00 N ATOM 311 CD2 HIS A 22 -10.635 -23.260 -5.608 1.00 0.00 C ATOM 312 CE1 HIS A 22 -12.140 -21.866 -4.834 1.00 0.00 C ATOM 313 NE2 HIS A 22 -11.955 -23.102 -5.263 1.00 0.00 N ATOM 0 H HIS A 22 -8.775 -23.616 -4.041 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.683 -21.740 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.557 -20.631 -5.897 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.147 -22.271 -6.360 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.834 -20.256 -4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.177 -24.159 -5.994 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.076 -21.449 -4.494 1.00 0.00 H new ATOM 321 N TYR A 23 -7.077 -20.307 -2.520 1.00 0.00 N ATOM 322 CA TYR A 23 -7.260 -19.245 -1.538 1.00 0.00 C ATOM 323 C TYR A 23 -6.826 -17.897 -2.104 1.00 0.00 C ATOM 324 O TYR A 23 -6.504 -16.972 -1.358 1.00 0.00 O ATOM 325 CB TYR A 23 -6.468 -19.556 -0.266 1.00 0.00 C ATOM 326 CG TYR A 23 -5.058 -20.034 -0.533 1.00 0.00 C ATOM 327 CD1 TYR A 23 -4.054 -19.138 -0.876 1.00 0.00 C ATOM 328 CD2 TYR A 23 -4.732 -21.381 -0.443 1.00 0.00 C ATOM 329 CE1 TYR A 23 -2.764 -19.570 -1.121 1.00 0.00 C ATOM 330 CE2 TYR A 23 -3.445 -21.822 -0.685 1.00 0.00 C ATOM 331 CZ TYR A 23 -2.465 -20.912 -1.024 1.00 0.00 C ATOM 332 OH TYR A 23 -1.182 -21.348 -1.267 1.00 0.00 O ATOM 0 H TYR A 23 -6.143 -20.717 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.321 -19.190 -1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.428 -18.661 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.999 -20.317 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.285 -18.086 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.497 -22.096 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.995 -18.860 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.208 -22.873 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.140 -22.321 -1.155 1.00 0.00 H new ATOM 342 N SER A 24 -6.820 -17.794 -3.429 1.00 0.00 N ATOM 343 CA SER A 24 -6.422 -16.561 -4.098 1.00 0.00 C ATOM 344 C SER A 24 -7.315 -15.399 -3.672 1.00 0.00 C ATOM 345 O SER A 24 -8.416 -15.225 -4.193 1.00 0.00 O ATOM 346 CB SER A 24 -6.485 -16.736 -5.617 1.00 0.00 C ATOM 347 OG SER A 24 -5.833 -17.928 -6.020 1.00 0.00 O ATOM 0 H SER A 24 -7.086 -18.549 -4.060 1.00 0.00 H new ATOM 0 HA SER A 24 -5.396 -16.334 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.526 -16.760 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.019 -15.880 -6.105 1.00 0.00 H new ATOM 0 HG SER A 24 -5.888 -18.018 -6.994 1.00 0.00 H new ATOM 353 N ASP A 25 -6.831 -14.608 -2.721 1.00 0.00 N ATOM 354 CA ASP A 25 -7.583 -13.462 -2.223 1.00 0.00 C ATOM 355 C ASP A 25 -6.774 -12.177 -2.367 1.00 0.00 C ATOM 356 O ASP A 25 -5.577 -12.214 -2.650 1.00 0.00 O ATOM 357 CB ASP A 25 -7.970 -13.675 -0.759 1.00 0.00 C ATOM 358 CG ASP A 25 -6.769 -13.660 0.165 1.00 0.00 C ATOM 359 OD1 ASP A 25 -5.830 -12.879 -0.095 1.00 0.00 O ATOM 360 OD2 ASP A 25 -6.766 -14.430 1.149 1.00 0.00 O ATOM 0 H ASP A 25 -5.921 -14.739 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.490 -13.367 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.669 -12.896 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.490 -14.628 -0.659 1.00 0.00 H new ATOM 365 N ARG A 26 -7.436 -11.041 -2.170 1.00 0.00 N ATOM 366 CA ARG A 26 -6.779 -9.745 -2.280 1.00 0.00 C ATOM 367 C ARG A 26 -6.825 -8.997 -0.950 1.00 0.00 C ATOM 368 O ARG A 26 -7.805 -8.318 -0.640 1.00 0.00 O ATOM 369 CB ARG A 26 -7.441 -8.904 -3.373 1.00 0.00 C ATOM 370 CG ARG A 26 -7.642 -9.654 -4.679 1.00 0.00 C ATOM 371 CD ARG A 26 -6.421 -9.543 -5.580 1.00 0.00 C ATOM 372 NE ARG A 26 -6.256 -10.722 -6.425 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.536 -10.730 -7.541 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.918 -9.629 -7.944 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.432 -11.843 -8.257 1.00 0.00 N ATOM 0 H ARG A 26 -8.427 -10.993 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.736 -9.917 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.408 -8.552 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.830 -8.021 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.846 -10.704 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.515 -9.257 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.513 -8.657 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.529 -9.408 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.719 -11.586 -6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.994 -8.772 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.366 -9.639 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.905 -12.693 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.879 -11.848 -9.114 1.00 0.00 H new ATOM 389 N THR A 27 -5.759 -9.127 -0.166 1.00 0.00 N ATOM 390 CA THR A 27 -5.679 -8.466 1.130 1.00 0.00 C ATOM 391 C THR A 27 -4.330 -7.781 1.316 1.00 0.00 C ATOM 392 O THR A 27 -3.305 -8.265 0.834 1.00 0.00 O ATOM 393 CB THR A 27 -5.898 -9.463 2.284 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.456 -10.768 1.894 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.366 -9.518 2.681 1.00 0.00 C ATOM 0 H THR A 27 -4.939 -9.684 -0.407 1.00 0.00 H new ATOM 0 HA THR A 27 -6.470 -7.717 1.151 1.00 0.00 H new ATOM 0 HB THR A 27 -5.318 -9.124 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.597 -11.396 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.496 -10.229 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.693 -8.530 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.963 -9.835 1.826 1.00 0.00 H new ATOM 403 N CYS A 28 -4.336 -6.653 2.017 1.00 0.00 N ATOM 404 CA CYS A 28 -3.112 -5.901 2.267 1.00 0.00 C ATOM 405 C CYS A 28 -1.987 -6.827 2.718 1.00 0.00 C ATOM 406 O CYS A 28 -2.230 -7.958 3.137 1.00 0.00 O ATOM 407 CB CYS A 28 -3.358 -4.824 3.326 1.00 0.00 C ATOM 408 SG CYS A 28 -2.033 -3.579 3.441 1.00 0.00 S ATOM 0 H CYS A 28 -5.175 -6.239 2.423 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.812 -5.422 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.298 -4.319 3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.476 -5.305 4.297 1.00 0.00 H new ATOM 413 N ALA A 29 -0.754 -6.338 2.630 1.00 0.00 N ATOM 414 CA ALA A 29 0.409 -7.120 3.031 1.00 0.00 C ATOM 415 C ALA A 29 0.968 -6.628 4.362 1.00 0.00 C ATOM 416 O ALA A 29 1.916 -7.203 4.898 1.00 0.00 O ATOM 417 CB ALA A 29 1.480 -7.063 1.953 1.00 0.00 C ATOM 0 H ALA A 29 -0.535 -5.404 2.284 1.00 0.00 H new ATOM 0 HA ALA A 29 0.094 -8.155 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.343 -7.651 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.082 -7.469 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.784 -6.028 1.797 1.00 0.00 H new ATOM 423 N ARG A 30 0.376 -5.562 4.890 1.00 0.00 N ATOM 424 CA ARG A 30 0.817 -4.992 6.158 1.00 0.00 C ATOM 425 C ARG A 30 -0.321 -4.981 7.174 1.00 0.00 C ATOM 426 O ARG A 30 -0.098 -5.152 8.373 1.00 0.00 O ATOM 427 CB ARG A 30 1.341 -3.570 5.947 1.00 0.00 C ATOM 428 CG ARG A 30 2.292 -3.440 4.769 1.00 0.00 C ATOM 429 CD ARG A 30 3.737 -3.649 5.193 1.00 0.00 C ATOM 430 NE ARG A 30 4.069 -5.065 5.325 1.00 0.00 N ATOM 431 CZ ARG A 30 3.995 -5.734 6.470 1.00 0.00 C ATOM 432 NH1 ARG A 30 3.602 -5.118 7.577 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.314 -7.021 6.510 1.00 0.00 N ATOM 0 H ARG A 30 -0.410 -5.075 4.460 1.00 0.00 H new ATOM 0 HA ARG A 30 1.622 -5.615 6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.495 -2.899 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.851 -3.242 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.027 -4.170 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.183 -2.453 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.400 -3.188 4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.912 -3.145 6.144 1.00 0.00 H new ATOM 0 HE ARG A 30 4.375 -5.568 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.356 -4.129 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.546 -5.634 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.617 -7.498 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.257 -7.534 7.390 1.00 0.00 H new ATOM 447 N CYS A 31 -1.541 -4.779 6.687 1.00 0.00 N ATOM 448 CA CYS A 31 -2.714 -4.745 7.551 1.00 0.00 C ATOM 449 C CYS A 31 -3.675 -5.880 7.209 1.00 0.00 C ATOM 450 O CYS A 31 -4.659 -6.105 7.913 1.00 0.00 O ATOM 451 CB CYS A 31 -3.430 -3.399 7.422 1.00 0.00 C ATOM 452 SG CYS A 31 -4.206 -3.123 5.797 1.00 0.00 S ATOM 0 H CYS A 31 -1.743 -4.636 5.697 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.380 -4.874 8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.196 -3.331 8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.714 -2.599 7.612 1.00 0.00 H new ATOM 457 N GLN A 32 -3.382 -6.590 6.125 1.00 0.00 N ATOM 458 CA GLN A 32 -4.220 -7.700 5.689 1.00 0.00 C ATOM 459 C GLN A 32 -5.696 -7.321 5.740 1.00 0.00 C ATOM 460 O GLN A 32 -6.521 -8.068 6.265 1.00 0.00 O ATOM 461 CB GLN A 32 -3.967 -8.931 6.562 1.00 0.00 C ATOM 462 CG GLN A 32 -2.775 -9.761 6.113 1.00 0.00 C ATOM 463 CD GLN A 32 -3.135 -10.759 5.030 1.00 0.00 C ATOM 464 OE1 GLN A 32 -4.108 -11.503 5.153 1.00 0.00 O ATOM 465 NE2 GLN A 32 -2.349 -10.779 3.960 1.00 0.00 N ATOM 0 H GLN A 32 -2.570 -6.416 5.532 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.960 -7.935 4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.808 -8.610 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.858 -9.558 6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.993 -9.097 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.364 -10.293 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.553 -10.144 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.541 -11.429 3.198 1.00 0.00 H new ATOM 474 N GLU A 33 -6.022 -6.154 5.192 1.00 0.00 N ATOM 475 CA GLU A 33 -7.399 -5.676 5.177 1.00 0.00 C ATOM 476 C GLU A 33 -8.091 -6.051 3.869 1.00 0.00 C ATOM 477 O GLU A 33 -7.453 -6.534 2.934 1.00 0.00 O ATOM 478 CB GLU A 33 -7.437 -4.159 5.370 1.00 0.00 C ATOM 479 CG GLU A 33 -7.445 -3.730 6.827 1.00 0.00 C ATOM 480 CD GLU A 33 -7.638 -2.236 6.995 1.00 0.00 C ATOM 481 OE1 GLU A 33 -8.798 -1.778 6.952 1.00 0.00 O ATOM 482 OE2 GLU A 33 -6.626 -1.524 7.170 1.00 0.00 O ATOM 0 H GLU A 33 -5.351 -5.523 4.753 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.932 -6.153 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.573 -3.717 4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.325 -3.761 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.242 -4.257 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.506 -4.026 7.294 1.00 0.00 H new ATOM 489 N SER A 34 -9.399 -5.825 3.813 1.00 0.00 N ATOM 490 CA SER A 34 -10.180 -6.143 2.623 1.00 0.00 C ATOM 491 C SER A 34 -10.022 -5.056 1.563 1.00 0.00 C ATOM 492 O SER A 34 -10.642 -3.995 1.648 1.00 0.00 O ATOM 493 CB SER A 34 -11.657 -6.307 2.984 1.00 0.00 C ATOM 494 OG SER A 34 -12.439 -6.561 1.831 1.00 0.00 O ATOM 0 H SER A 34 -9.941 -5.423 4.578 1.00 0.00 H new ATOM 0 HA SER A 34 -9.807 -7.082 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.772 -7.127 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.016 -5.405 3.479 1.00 0.00 H new ATOM 0 HG SER A 34 -13.379 -6.663 2.089 1.00 0.00 H new ATOM 500 N LEU A 35 -9.187 -5.328 0.566 1.00 0.00 N ATOM 501 CA LEU A 35 -8.946 -4.375 -0.511 1.00 0.00 C ATOM 502 C LEU A 35 -10.027 -4.479 -1.583 1.00 0.00 C ATOM 503 O LEU A 35 -9.753 -4.327 -2.772 1.00 0.00 O ATOM 504 CB LEU A 35 -7.570 -4.617 -1.134 1.00 0.00 C ATOM 505 CG LEU A 35 -6.382 -4.583 -0.172 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.261 -5.479 -0.676 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.886 -3.157 0.014 1.00 0.00 C ATOM 0 H LEU A 35 -8.666 -6.201 0.481 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.975 -3.371 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.583 -5.588 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.407 -3.867 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.712 -4.960 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.424 -5.442 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.622 -6.504 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.932 -5.134 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.040 -3.153 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.573 -2.752 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.689 -2.543 0.422 1.00 0.00 H new ATOM 519 N GLY A 36 -11.258 -4.738 -1.151 1.00 0.00 N ATOM 520 CA GLY A 36 -12.362 -4.856 -2.085 1.00 0.00 C ATOM 521 C GLY A 36 -12.555 -3.602 -2.916 1.00 0.00 C ATOM 522 O GLY A 36 -12.120 -3.538 -4.065 1.00 0.00 O ATOM 0 H GLY A 36 -11.510 -4.868 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.185 -5.703 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.279 -5.068 -1.535 1.00 0.00 H new ATOM 526 N ARG A 37 -13.211 -2.604 -2.333 1.00 0.00 N ATOM 527 CA ARG A 37 -13.464 -1.347 -3.028 1.00 0.00 C ATOM 528 C ARG A 37 -12.202 -0.849 -3.726 1.00 0.00 C ATOM 529 O ARG A 37 -12.261 -0.325 -4.839 1.00 0.00 O ATOM 530 CB ARG A 37 -13.968 -0.289 -2.045 1.00 0.00 C ATOM 531 CG ARG A 37 -12.939 0.110 -1.000 1.00 0.00 C ATOM 532 CD ARG A 37 -13.360 1.369 -0.257 1.00 0.00 C ATOM 533 NE ARG A 37 -12.488 1.649 0.881 1.00 0.00 N ATOM 534 CZ ARG A 37 -12.350 2.855 1.421 1.00 0.00 C ATOM 535 NH1 ARG A 37 -13.023 3.886 0.930 1.00 0.00 N ATOM 536 NH2 ARG A 37 -11.537 3.031 2.455 1.00 0.00 N ATOM 0 H ARG A 37 -13.577 -2.641 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.230 -1.525 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.270 0.598 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.857 -0.668 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.805 -0.706 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.975 0.275 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.346 2.217 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.387 1.258 0.091 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.956 0.877 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.649 3.755 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.915 4.811 1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.018 2.240 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.432 3.957 2.869 1.00 0.00 H new ATOM 550 N LEU A 38 -11.061 -1.016 -3.066 1.00 0.00 N ATOM 551 CA LEU A 38 -9.784 -0.583 -3.622 1.00 0.00 C ATOM 552 C LEU A 38 -9.356 -1.489 -4.772 1.00 0.00 C ATOM 553 O LEU A 38 -9.975 -2.523 -5.024 1.00 0.00 O ATOM 554 CB LEU A 38 -8.708 -0.576 -2.535 1.00 0.00 C ATOM 555 CG LEU A 38 -8.687 0.649 -1.620 1.00 0.00 C ATOM 556 CD1 LEU A 38 -7.993 0.322 -0.307 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.002 1.819 -2.310 1.00 0.00 C ATOM 0 H LEU A 38 -10.994 -1.448 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.908 0.429 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.838 -1.464 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.734 -0.662 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.716 0.934 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.987 1.205 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.526 -0.485 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.967 0.011 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.996 2.682 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.976 1.545 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.542 2.069 -3.223 1.00 0.00 H new ATOM 569 N SER A 39 -8.292 -1.096 -5.464 1.00 0.00 N ATOM 570 CA SER A 39 -7.781 -1.872 -6.588 1.00 0.00 C ATOM 571 C SER A 39 -6.391 -2.421 -6.282 1.00 0.00 C ATOM 572 O SER A 39 -5.450 -1.678 -6.000 1.00 0.00 O ATOM 573 CB SER A 39 -7.734 -1.010 -7.851 1.00 0.00 C ATOM 574 OG SER A 39 -9.032 -0.579 -8.223 1.00 0.00 O ATOM 0 H SER A 39 -7.767 -0.244 -5.266 1.00 0.00 H new ATOM 0 HA SER A 39 -8.456 -2.712 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.095 -0.144 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.289 -1.579 -8.667 1.00 0.00 H new ATOM 0 HG SER A 39 -8.975 -0.029 -9.032 1.00 0.00 H new ATOM 580 N PRO A 40 -6.257 -3.754 -6.338 1.00 0.00 N ATOM 581 CA PRO A 40 -4.986 -4.434 -6.070 1.00 0.00 C ATOM 582 C PRO A 40 -3.954 -4.187 -7.165 1.00 0.00 C ATOM 583 O PRO A 40 -2.779 -3.951 -6.884 1.00 0.00 O ATOM 584 CB PRO A 40 -5.377 -5.914 -6.029 1.00 0.00 C ATOM 585 CG PRO A 40 -6.609 -6.003 -6.861 1.00 0.00 C ATOM 586 CD PRO A 40 -7.336 -4.701 -6.667 1.00 0.00 C ATOM 0 HA PRO A 40 -4.519 -4.076 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.583 -6.545 -6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.564 -6.246 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.360 -6.158 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.228 -6.845 -6.552 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.872 -4.402 -7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.071 -4.767 -5.865 1.00 0.00 H new ATOM 594 N LYS A 41 -4.401 -4.241 -8.416 1.00 0.00 N ATOM 595 CA LYS A 41 -3.517 -4.021 -9.554 1.00 0.00 C ATOM 596 C LYS A 41 -2.625 -2.806 -9.323 1.00 0.00 C ATOM 597 O LYS A 41 -1.398 -2.918 -9.299 1.00 0.00 O ATOM 598 CB LYS A 41 -4.336 -3.830 -10.832 1.00 0.00 C ATOM 599 CG LYS A 41 -5.287 -4.978 -11.123 1.00 0.00 C ATOM 600 CD LYS A 41 -6.539 -4.499 -11.838 1.00 0.00 C ATOM 601 CE LYS A 41 -6.358 -4.512 -13.348 1.00 0.00 C ATOM 602 NZ LYS A 41 -7.656 -4.376 -14.064 1.00 0.00 N ATOM 0 H LYS A 41 -5.370 -4.435 -8.667 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.882 -4.900 -9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.909 -2.906 -10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.655 -3.711 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.781 -5.724 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.565 -5.467 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.381 -5.136 -11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.784 -3.489 -11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.695 -3.698 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.874 -5.441 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.489 -4.389 -15.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.280 -5.166 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.107 -3.477 -13.798 1.00 0.00 H new ATOM 616 N THR A 42 -3.247 -1.644 -9.153 1.00 0.00 N ATOM 617 CA THR A 42 -2.510 -0.408 -8.923 1.00 0.00 C ATOM 618 C THR A 42 -1.942 -0.360 -7.509 1.00 0.00 C ATOM 619 O THR A 42 -0.952 0.322 -7.250 1.00 0.00 O ATOM 620 CB THR A 42 -3.401 0.828 -9.148 1.00 0.00 C ATOM 621 OG1 THR A 42 -2.666 2.022 -8.858 1.00 0.00 O ATOM 622 CG2 THR A 42 -4.643 0.766 -8.272 1.00 0.00 C ATOM 0 H THR A 42 -4.261 -1.533 -9.170 1.00 0.00 H new ATOM 0 HA THR A 42 -1.690 -0.392 -9.641 1.00 0.00 H new ATOM 0 HB THR A 42 -3.712 0.839 -10.193 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.239 2.803 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.257 1.649 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.216 -0.129 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.347 0.733 -7.223 1.00 0.00 H new ATOM 630 N ASN A 43 -2.576 -1.091 -6.597 1.00 0.00 N ATOM 631 CA ASN A 43 -2.133 -1.132 -5.208 1.00 0.00 C ATOM 632 C ASN A 43 -1.020 -2.158 -5.023 1.00 0.00 C ATOM 633 O ASN A 43 -1.049 -2.961 -4.089 1.00 0.00 O ATOM 634 CB ASN A 43 -3.308 -1.465 -4.287 1.00 0.00 C ATOM 635 CG ASN A 43 -4.298 -0.322 -4.176 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.089 0.752 -4.741 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.383 -0.548 -3.445 1.00 0.00 N ATOM 0 H ASN A 43 -3.397 -1.662 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.743 -0.148 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.821 -2.351 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.930 -1.712 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.085 0.184 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.515 -1.454 -2.995 1.00 0.00 H new ATOM 644 N THR A 44 -0.037 -2.127 -5.918 1.00 0.00 N ATOM 645 CA THR A 44 1.086 -3.053 -5.854 1.00 0.00 C ATOM 646 C THR A 44 2.391 -2.317 -5.575 1.00 0.00 C ATOM 647 O THR A 44 2.843 -1.505 -6.383 1.00 0.00 O ATOM 648 CB THR A 44 1.230 -3.853 -7.163 1.00 0.00 C ATOM 649 OG1 THR A 44 0.033 -4.598 -7.416 1.00 0.00 O ATOM 650 CG2 THR A 44 2.417 -4.800 -7.090 1.00 0.00 C ATOM 0 H THR A 44 0.003 -1.469 -6.697 1.00 0.00 H new ATOM 0 HA THR A 44 0.880 -3.743 -5.036 1.00 0.00 H new ATOM 0 HB THR A 44 1.398 -3.148 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.530 -4.107 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.499 -5.354 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.330 -4.227 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.275 -5.499 -6.266 1.00 0.00 H new ATOM 658 N CYS A 45 2.994 -2.606 -4.427 1.00 0.00 N ATOM 659 CA CYS A 45 4.249 -1.972 -4.041 1.00 0.00 C ATOM 660 C CYS A 45 5.362 -2.328 -5.021 1.00 0.00 C ATOM 661 O CYS A 45 5.787 -3.481 -5.102 1.00 0.00 O ATOM 662 CB CYS A 45 4.645 -2.396 -2.625 1.00 0.00 C ATOM 663 SG CYS A 45 6.298 -1.829 -2.114 1.00 0.00 S ATOM 0 H CYS A 45 2.634 -3.276 -3.747 1.00 0.00 H new ATOM 0 HA CYS A 45 4.103 -0.892 -4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.907 -2.010 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.609 -3.483 -2.560 1.00 0.00 H new ATOM 668 N ARG A 46 5.831 -1.330 -5.763 1.00 0.00 N ATOM 669 CA ARG A 46 6.895 -1.538 -6.738 1.00 0.00 C ATOM 670 C ARG A 46 8.164 -2.044 -6.059 1.00 0.00 C ATOM 671 O ARG A 46 9.061 -2.575 -6.713 1.00 0.00 O ATOM 672 CB ARG A 46 7.189 -0.238 -7.489 1.00 0.00 C ATOM 673 CG ARG A 46 5.951 0.417 -8.081 1.00 0.00 C ATOM 674 CD ARG A 46 6.306 1.666 -8.872 1.00 0.00 C ATOM 675 NE ARG A 46 5.259 2.027 -9.824 1.00 0.00 N ATOM 676 CZ ARG A 46 4.933 1.284 -10.875 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.570 0.144 -11.108 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.969 1.680 -11.696 1.00 0.00 N ATOM 0 H ARG A 46 5.491 -0.370 -5.708 1.00 0.00 H new ATOM 0 HA ARG A 46 6.559 -2.293 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.671 0.464 -6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.899 -0.444 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.438 -0.292 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.258 0.676 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.472 2.495 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.242 1.503 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 46 4.750 2.898 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.312 -0.163 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.318 -0.425 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.477 2.556 -11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.720 1.108 -12.503 1.00 0.00 H new ATOM 692 N GLY A 47 8.233 -1.874 -4.742 1.00 0.00 N ATOM 693 CA GLY A 47 9.396 -2.317 -3.996 1.00 0.00 C ATOM 694 C GLY A 47 9.442 -3.824 -3.836 1.00 0.00 C ATOM 695 O GLY A 47 10.351 -4.482 -4.341 1.00 0.00 O ATOM 0 H GLY A 47 7.504 -1.437 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.300 -1.981 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.392 -1.850 -3.011 1.00 0.00 H new ATOM 699 N CYS A 48 8.459 -4.372 -3.128 1.00 0.00 N ATOM 700 CA CYS A 48 8.391 -5.810 -2.900 1.00 0.00 C ATOM 701 C CYS A 48 7.279 -6.441 -3.732 1.00 0.00 C ATOM 702 O CYS A 48 6.809 -7.537 -3.429 1.00 0.00 O ATOM 703 CB CYS A 48 8.161 -6.101 -1.415 1.00 0.00 C ATOM 704 SG CYS A 48 6.776 -5.172 -0.682 1.00 0.00 S ATOM 0 H CYS A 48 7.699 -3.841 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 48 9.341 -6.247 -3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.976 -7.168 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.073 -5.868 -0.865 1.00 0.00 H new ATOM 709 N ASN A 49 6.863 -5.740 -4.782 1.00 0.00 N ATOM 710 CA ASN A 49 5.805 -6.231 -5.658 1.00 0.00 C ATOM 711 C ASN A 49 4.717 -6.938 -4.854 1.00 0.00 C ATOM 712 O ASN A 49 4.207 -7.982 -5.263 1.00 0.00 O ATOM 713 CB ASN A 49 6.383 -7.187 -6.704 1.00 0.00 C ATOM 714 CG ASN A 49 7.352 -6.496 -7.645 1.00 0.00 C ATOM 715 OD1 ASN A 49 7.089 -6.370 -8.841 1.00 0.00 O ATOM 716 ND2 ASN A 49 8.479 -6.044 -7.107 1.00 0.00 N ATOM 0 H ASN A 49 7.242 -4.831 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 49 5.360 -5.374 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.893 -8.008 -6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.569 -7.625 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.168 -5.570 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.655 -6.171 -6.110 1.00 0.00 H new ATOM 723 N HIS A 50 4.365 -6.360 -3.710 1.00 0.00 N ATOM 724 CA HIS A 50 3.337 -6.933 -2.849 1.00 0.00 C ATOM 725 C HIS A 50 2.020 -6.179 -3.000 1.00 0.00 C ATOM 726 O HIS A 50 1.910 -5.255 -3.808 1.00 0.00 O ATOM 727 CB HIS A 50 3.790 -6.905 -1.389 1.00 0.00 C ATOM 728 CG HIS A 50 4.595 -8.103 -0.988 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.390 -9.359 -1.519 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.612 -8.230 -0.104 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.245 -10.208 -0.977 1.00 0.00 C ATOM 732 NE2 HIS A 50 5.998 -9.548 -0.115 1.00 0.00 N ATOM 0 H HIS A 50 4.776 -5.496 -3.358 1.00 0.00 H new ATOM 0 HA HIS A 50 3.180 -7.968 -3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.382 -6.006 -1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.912 -6.836 -0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.040 -7.442 0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.316 -11.262 -1.201 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.745 -9.952 0.450 1.00 0.00 H new ATOM 740 N LEU A 51 1.022 -6.578 -2.219 1.00 0.00 N ATOM 741 CA LEU A 51 -0.289 -5.939 -2.266 1.00 0.00 C ATOM 742 C LEU A 51 -0.571 -5.178 -0.975 1.00 0.00 C ATOM 743 O LEU A 51 -0.740 -5.777 0.087 1.00 0.00 O ATOM 744 CB LEU A 51 -1.380 -6.986 -2.503 1.00 0.00 C ATOM 745 CG LEU A 51 -2.813 -6.538 -2.218 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.226 -5.429 -3.173 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.771 -7.716 -2.319 1.00 0.00 C ATOM 0 H LEU A 51 1.095 -7.341 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.290 -5.228 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.323 -7.313 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.162 -7.855 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.855 -6.148 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.249 -5.123 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.558 -4.576 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.167 -5.792 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.787 -7.378 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.725 -8.137 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.488 -8.478 -1.593 1.00 0.00 H new ATOM 759 N VAL A 52 -0.622 -3.854 -1.074 1.00 0.00 N ATOM 760 CA VAL A 52 -0.887 -3.010 0.085 1.00 0.00 C ATOM 761 C VAL A 52 -1.911 -1.929 -0.244 1.00 0.00 C ATOM 762 O VAL A 52 -1.941 -1.405 -1.358 1.00 0.00 O ATOM 763 CB VAL A 52 0.402 -2.341 0.598 1.00 0.00 C ATOM 764 CG1 VAL A 52 1.147 -3.272 1.543 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.288 -1.928 -0.567 1.00 0.00 C ATOM 0 H VAL A 52 -0.483 -3.342 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.286 -3.659 0.864 1.00 0.00 H new ATOM 0 HB VAL A 52 0.129 -1.443 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.055 -2.782 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.510 -3.512 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.410 -4.190 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.194 -1.457 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.555 -2.809 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.751 -1.222 -1.200 1.00 0.00 H new ATOM 775 N CYS A 53 -2.750 -1.600 0.732 1.00 0.00 N ATOM 776 CA CYS A 53 -3.777 -0.582 0.548 1.00 0.00 C ATOM 777 C CYS A 53 -3.148 0.787 0.304 1.00 0.00 C ATOM 778 O CYS A 53 -1.926 0.932 0.323 1.00 0.00 O ATOM 779 CB CYS A 53 -4.693 -0.524 1.772 1.00 0.00 C ATOM 780 SG CYS A 53 -3.853 -0.010 3.305 1.00 0.00 S ATOM 0 H CYS A 53 -2.739 -2.024 1.660 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.368 -0.852 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.510 0.168 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.138 -1.507 1.926 1.00 0.00 H new ATOM 785 N ARG A 54 -3.992 1.787 0.075 1.00 0.00 N ATOM 786 CA ARG A 54 -3.520 3.144 -0.174 1.00 0.00 C ATOM 787 C ARG A 54 -3.178 3.849 1.136 1.00 0.00 C ATOM 788 O ARG A 54 -2.982 5.064 1.165 1.00 0.00 O ATOM 789 CB ARG A 54 -4.578 3.944 -0.935 1.00 0.00 C ATOM 790 CG ARG A 54 -5.769 4.347 -0.081 1.00 0.00 C ATOM 791 CD ARG A 54 -5.558 5.708 0.562 1.00 0.00 C ATOM 792 NE ARG A 54 -6.816 6.426 0.750 1.00 0.00 N ATOM 793 CZ ARG A 54 -7.613 6.250 1.797 1.00 0.00 C ATOM 794 NH1 ARG A 54 -7.285 5.386 2.747 1.00 0.00 N ATOM 795 NH2 ARG A 54 -8.742 6.941 1.897 1.00 0.00 N ATOM 0 H ARG A 54 -5.007 1.683 0.057 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.616 3.082 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.116 4.842 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.931 3.352 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.668 4.370 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.932 3.598 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.066 5.581 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.890 6.303 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.098 7.100 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.418 4.854 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.900 5.253 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.998 7.608 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.354 6.805 2.702 1.00 0.00 H new ATOM 809 N ASP A 55 -3.111 3.079 2.216 1.00 0.00 N ATOM 810 CA ASP A 55 -2.793 3.630 3.529 1.00 0.00 C ATOM 811 C ASP A 55 -1.446 3.112 4.023 1.00 0.00 C ATOM 812 O ASP A 55 -0.744 3.793 4.772 1.00 0.00 O ATOM 813 CB ASP A 55 -3.890 3.275 4.534 1.00 0.00 C ATOM 814 CG ASP A 55 -3.954 4.253 5.690 1.00 0.00 C ATOM 815 OD1 ASP A 55 -2.882 4.624 6.214 1.00 0.00 O ATOM 816 OD2 ASP A 55 -5.075 4.648 6.071 1.00 0.00 O ATOM 0 H ASP A 55 -3.272 2.072 2.209 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.733 4.714 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.853 3.256 4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.714 2.271 4.920 1.00 0.00 H new ATOM 821 N CYS A 56 -1.091 1.904 3.600 1.00 0.00 N ATOM 822 CA CYS A 56 0.171 1.293 4.001 1.00 0.00 C ATOM 823 C CYS A 56 1.258 1.558 2.962 1.00 0.00 C ATOM 824 O CYS A 56 2.253 0.838 2.893 1.00 0.00 O ATOM 825 CB CYS A 56 -0.006 -0.214 4.195 1.00 0.00 C ATOM 826 SG CYS A 56 -1.057 -0.662 5.615 1.00 0.00 S ATOM 0 H CYS A 56 -1.660 1.328 2.979 1.00 0.00 H new ATOM 0 HA CYS A 56 0.478 1.741 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.438 -0.638 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.975 -0.671 4.324 1.00 0.00 H new ATOM 831 N ARG A 57 1.058 2.597 2.157 1.00 0.00 N ATOM 832 CA ARG A 57 2.020 2.957 1.122 1.00 0.00 C ATOM 833 C ARG A 57 2.479 4.403 1.286 1.00 0.00 C ATOM 834 O ARG A 57 1.852 5.186 2.001 1.00 0.00 O ATOM 835 CB ARG A 57 1.405 2.760 -0.265 1.00 0.00 C ATOM 836 CG ARG A 57 -0.028 3.253 -0.372 1.00 0.00 C ATOM 837 CD ARG A 57 -0.084 4.755 -0.609 1.00 0.00 C ATOM 838 NE ARG A 57 -0.150 5.504 0.643 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.314 6.821 0.704 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.430 7.530 -0.410 1.00 0.00 N ATOM 841 NH2 ARG A 57 -0.365 7.431 1.881 1.00 0.00 N ATOM 0 H ARG A 57 0.239 3.204 2.202 1.00 0.00 H new ATOM 0 HA ARG A 57 2.887 2.305 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.016 3.282 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.436 1.701 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.532 2.736 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.568 3.007 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.796 5.066 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.954 4.993 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.066 4.988 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.393 7.065 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.556 8.541 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.278 6.889 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.491 8.442 1.926 1.00 0.00 H new ATOM 855 N ILE A 58 3.575 4.749 0.620 1.00 0.00 N ATOM 856 CA ILE A 58 4.117 6.100 0.692 1.00 0.00 C ATOM 857 C ILE A 58 4.390 6.658 -0.701 1.00 0.00 C ATOM 858 O ILE A 58 5.182 6.099 -1.459 1.00 0.00 O ATOM 859 CB ILE A 58 5.420 6.142 1.513 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.149 5.724 2.960 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.033 7.533 1.464 1.00 0.00 C ATOM 862 CD1 ILE A 58 5.292 4.237 3.197 1.00 0.00 C ATOM 0 H ILE A 58 4.105 4.113 0.025 1.00 0.00 H new ATOM 0 HA ILE A 58 3.365 6.715 1.187 1.00 0.00 H new ATOM 0 HB ILE A 58 6.130 5.439 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.836 6.256 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.140 6.032 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.953 7.546 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.257 7.796 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.330 8.255 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.086 4.014 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.586 3.698 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.308 3.926 2.953 1.00 0.00 H new ATOM 874 N GLN A 59 3.729 7.763 -1.030 1.00 0.00 N ATOM 875 CA GLN A 59 3.902 8.397 -2.331 1.00 0.00 C ATOM 876 C GLN A 59 5.240 9.124 -2.410 1.00 0.00 C ATOM 877 O GLN A 59 5.523 10.011 -1.606 1.00 0.00 O ATOM 878 CB GLN A 59 2.759 9.377 -2.600 1.00 0.00 C ATOM 879 CG GLN A 59 1.566 8.744 -3.297 1.00 0.00 C ATOM 880 CD GLN A 59 1.912 8.199 -4.668 1.00 0.00 C ATOM 881 OE1 GLN A 59 1.958 6.985 -4.873 1.00 0.00 O ATOM 882 NE2 GLN A 59 2.158 9.094 -5.617 1.00 0.00 N ATOM 0 H GLN A 59 3.069 8.237 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 59 3.889 7.616 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.430 9.807 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.132 10.199 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.175 7.937 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.772 9.485 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.109 10.090 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.396 8.785 -6.560 1.00 0.00 H new ATOM 891 N GLU A 60 6.060 8.741 -3.384 1.00 0.00 N ATOM 892 CA GLU A 60 7.370 9.356 -3.565 1.00 0.00 C ATOM 893 C GLU A 60 7.292 10.521 -4.548 1.00 0.00 C ATOM 894 O GLU A 60 6.748 10.387 -5.644 1.00 0.00 O ATOM 895 CB GLU A 60 8.380 8.321 -4.064 1.00 0.00 C ATOM 896 CG GLU A 60 8.909 7.411 -2.969 1.00 0.00 C ATOM 897 CD GLU A 60 10.330 6.948 -3.230 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.529 6.135 -4.157 1.00 0.00 O ATOM 899 OE2 GLU A 60 11.243 7.401 -2.508 1.00 0.00 O ATOM 0 H GLU A 60 5.841 8.009 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 60 7.700 9.738 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.911 7.711 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.218 8.839 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.872 7.937 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.258 6.541 -2.879 1.00 0.00 H new ATOM 906 N SER A 61 7.839 11.664 -4.146 1.00 0.00 N ATOM 907 CA SER A 61 7.828 12.854 -4.988 1.00 0.00 C ATOM 908 C SER A 61 8.018 12.483 -6.456 1.00 0.00 C ATOM 909 O SER A 61 7.282 12.947 -7.325 1.00 0.00 O ATOM 910 CB SER A 61 8.925 13.826 -4.550 1.00 0.00 C ATOM 911 OG SER A 61 8.590 15.161 -4.887 1.00 0.00 O ATOM 0 H SER A 61 8.295 11.791 -3.243 1.00 0.00 H new ATOM 0 HA SER A 61 6.858 13.338 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.076 13.747 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.867 13.553 -5.025 1.00 0.00 H new ATOM 0 HG SER A 61 9.307 15.762 -4.595 1.00 0.00 H new ATOM 917 N ASN A 62 9.013 11.643 -6.723 1.00 0.00 N ATOM 918 CA ASN A 62 9.302 11.209 -8.085 1.00 0.00 C ATOM 919 C ASN A 62 8.032 10.739 -8.787 1.00 0.00 C ATOM 920 O ASN A 62 7.690 11.225 -9.864 1.00 0.00 O ATOM 921 CB ASN A 62 10.339 10.084 -8.075 1.00 0.00 C ATOM 922 CG ASN A 62 10.493 9.427 -9.433 1.00 0.00 C ATOM 923 OD1 ASN A 62 9.508 9.158 -10.120 1.00 0.00 O ATOM 924 ND2 ASN A 62 11.734 9.166 -9.826 1.00 0.00 N ATOM 0 H ASN A 62 9.632 11.250 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 62 9.705 12.061 -8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.302 10.484 -7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.048 9.332 -7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.900 8.725 -10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.521 9.407 -9.223 1.00 0.00 H new ATOM 931 N GLY A 63 7.336 9.790 -8.168 1.00 0.00 N ATOM 932 CA GLY A 63 6.111 9.270 -8.748 1.00 0.00 C ATOM 933 C GLY A 63 5.763 7.890 -8.227 1.00 0.00 C ATOM 934 O GLY A 63 4.588 7.550 -8.082 1.00 0.00 O ATOM 0 H GLY A 63 7.599 9.372 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.291 9.954 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.214 9.230 -9.832 1.00 0.00 H new ATOM 938 N THR A 64 6.787 7.090 -7.945 1.00 0.00 N ATOM 939 CA THR A 64 6.584 5.738 -7.440 1.00 0.00 C ATOM 940 C THR A 64 6.123 5.758 -5.987 1.00 0.00 C ATOM 941 O THR A 64 5.979 6.822 -5.386 1.00 0.00 O ATOM 942 CB THR A 64 7.871 4.899 -7.547 1.00 0.00 C ATOM 943 OG1 THR A 64 8.906 5.485 -6.751 1.00 0.00 O ATOM 944 CG2 THR A 64 8.332 4.799 -8.994 1.00 0.00 C ATOM 0 H THR A 64 7.765 7.355 -8.058 1.00 0.00 H new ATOM 0 HA THR A 64 5.810 5.282 -8.058 1.00 0.00 H new ATOM 0 HB THR A 64 7.656 3.895 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.720 4.944 -6.823 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.243 4.202 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.553 4.325 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.531 5.798 -9.382 1.00 0.00 H new ATOM 952 N TRP A 65 5.895 4.575 -5.428 1.00 0.00 N ATOM 953 CA TRP A 65 5.452 4.457 -4.043 1.00 0.00 C ATOM 954 C TRP A 65 5.797 3.085 -3.476 1.00 0.00 C ATOM 955 O TRP A 65 5.841 2.094 -4.206 1.00 0.00 O ATOM 956 CB TRP A 65 3.944 4.697 -3.947 1.00 0.00 C ATOM 957 CG TRP A 65 3.127 3.592 -4.545 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.521 3.592 -5.769 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.826 2.328 -3.946 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.861 2.403 -5.967 1.00 0.00 N ATOM 961 CE2 TRP A 65 2.033 1.610 -4.863 1.00 0.00 C ATOM 962 CE3 TRP A 65 3.149 1.731 -2.724 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.561 0.328 -4.594 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.679 0.459 -2.459 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.893 -0.232 -3.391 1.00 0.00 C ATOM 0 H TRP A 65 6.009 3.684 -5.912 1.00 0.00 H new ATOM 0 HA TRP A 65 5.972 5.213 -3.455 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.668 4.817 -2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.700 5.633 -4.450 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.555 4.407 -6.477 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.329 2.152 -6.800 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.755 2.255 -2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.954 -0.206 -5.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.922 -0.011 -1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.543 -1.226 -3.155 1.00 0.00 H new ATOM 976 N ARG A 66 6.043 3.033 -2.171 1.00 0.00 N ATOM 977 CA ARG A 66 6.386 1.781 -1.506 1.00 0.00 C ATOM 978 C ARG A 66 5.585 1.612 -0.219 1.00 0.00 C ATOM 979 O ARG A 66 4.987 2.564 0.283 1.00 0.00 O ATOM 980 CB ARG A 66 7.883 1.737 -1.198 1.00 0.00 C ATOM 981 CG ARG A 66 8.725 1.191 -2.340 1.00 0.00 C ATOM 982 CD ARG A 66 10.210 1.398 -2.086 1.00 0.00 C ATOM 983 NE ARG A 66 10.647 2.740 -2.461 1.00 0.00 N ATOM 984 CZ ARG A 66 11.904 3.047 -2.758 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.844 2.112 -2.725 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.224 4.292 -3.090 1.00 0.00 N ATOM 0 H ARG A 66 6.011 3.844 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 66 6.136 0.960 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.225 2.743 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.045 1.122 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.521 0.128 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.442 1.684 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.424 1.228 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.781 0.660 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 66 9.948 3.482 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.602 1.154 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.809 2.351 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.504 5.014 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.190 4.527 -3.318 1.00 0.00 H new ATOM 1000 N CYS A 67 5.576 0.393 0.311 1.00 0.00 N ATOM 1001 CA CYS A 67 4.849 0.097 1.539 1.00 0.00 C ATOM 1002 C CYS A 67 5.547 0.714 2.747 1.00 0.00 C ATOM 1003 O CYS A 67 6.725 1.068 2.684 1.00 0.00 O ATOM 1004 CB CYS A 67 4.720 -1.415 1.728 1.00 0.00 C ATOM 1005 SG CYS A 67 6.313 -2.296 1.791 1.00 0.00 S ATOM 0 H CYS A 67 6.065 -0.406 -0.092 1.00 0.00 H new ATOM 0 HA CYS A 67 3.853 0.532 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.173 -1.610 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.124 -1.823 0.912 1.00 0.00 H new ATOM 1010 N LYS A 68 4.813 0.840 3.847 1.00 0.00 N ATOM 1011 CA LYS A 68 5.361 1.412 5.072 1.00 0.00 C ATOM 1012 C LYS A 68 6.678 0.740 5.445 1.00 0.00 C ATOM 1013 O LYS A 68 7.645 1.408 5.813 1.00 0.00 O ATOM 1014 CB LYS A 68 4.359 1.267 6.219 1.00 0.00 C ATOM 1015 CG LYS A 68 2.988 1.842 5.907 1.00 0.00 C ATOM 1016 CD LYS A 68 3.023 3.360 5.840 1.00 0.00 C ATOM 1017 CE LYS A 68 2.649 3.986 7.175 1.00 0.00 C ATOM 1018 NZ LYS A 68 3.069 5.412 7.255 1.00 0.00 N ATOM 0 H LYS A 68 3.836 0.554 3.916 1.00 0.00 H new ATOM 0 HA LYS A 68 5.551 2.471 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.253 0.211 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.759 1.763 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.632 1.443 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.278 1.527 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.021 3.689 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.335 3.707 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.571 3.916 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.116 3.424 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.796 5.803 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.101 5.477 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.604 5.954 6.499 1.00 0.00 H new ATOM 1032 N VAL A 69 6.710 -0.585 5.345 1.00 0.00 N ATOM 1033 CA VAL A 69 7.910 -1.347 5.670 1.00 0.00 C ATOM 1034 C VAL A 69 9.054 -1.001 4.724 1.00 0.00 C ATOM 1035 O VAL A 69 10.213 -0.928 5.133 1.00 0.00 O ATOM 1036 CB VAL A 69 7.646 -2.863 5.606 1.00 0.00 C ATOM 1037 CG1 VAL A 69 8.923 -3.640 5.891 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.546 -3.254 6.580 1.00 0.00 C ATOM 0 H VAL A 69 5.919 -1.153 5.042 1.00 0.00 H new ATOM 0 HA VAL A 69 8.190 -1.077 6.688 1.00 0.00 H new ATOM 0 HB VAL A 69 7.313 -3.114 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.717 -4.709 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.679 -3.381 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.289 -3.387 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.373 -4.329 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.847 -2.990 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.628 -2.724 6.324 1.00 0.00 H new ATOM 1048 N CYS A 70 8.721 -0.786 3.455 1.00 0.00 N ATOM 1049 CA CYS A 70 9.719 -0.447 2.449 1.00 0.00 C ATOM 1050 C CYS A 70 10.174 1.002 2.600 1.00 0.00 C ATOM 1051 O CYS A 70 11.311 1.269 2.990 1.00 0.00 O ATOM 1052 CB CYS A 70 9.155 -0.671 1.044 1.00 0.00 C ATOM 1053 SG CYS A 70 9.340 -2.378 0.433 1.00 0.00 S ATOM 0 H CYS A 70 7.766 -0.841 3.100 1.00 0.00 H new ATOM 0 HA CYS A 70 10.581 -1.098 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.097 -0.408 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.653 0.008 0.351 1.00 0.00 H new ATOM 1058 N SER A 71 9.278 1.933 2.290 1.00 0.00 N ATOM 1059 CA SER A 71 9.587 3.355 2.388 1.00 0.00 C ATOM 1060 C SER A 71 9.997 3.724 3.811 1.00 0.00 C ATOM 1061 O SER A 71 10.930 4.498 4.018 1.00 0.00 O ATOM 1062 CB SER A 71 8.380 4.192 1.959 1.00 0.00 C ATOM 1063 OG SER A 71 8.472 4.555 0.593 1.00 0.00 O ATOM 0 H SER A 71 8.332 1.728 1.969 1.00 0.00 H new ATOM 0 HA SER A 71 10.422 3.567 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.463 3.627 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.319 5.090 2.574 1.00 0.00 H new ATOM 0 HG SER A 71 8.320 5.519 0.500 1.00 0.00 H new ATOM 1069 N GLY A 72 9.290 3.165 4.788 1.00 0.00 N ATOM 1070 CA GLY A 72 9.594 3.447 6.179 1.00 0.00 C ATOM 1071 C GLY A 72 11.064 3.262 6.500 1.00 0.00 C ATOM 1072 O GLY A 72 11.728 2.367 5.976 1.00 0.00 O ATOM 0 H GLY A 72 8.512 2.522 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.300 4.471 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.001 2.792 6.817 1.00 0.00 H new ATOM 1076 N PRO A 73 11.594 4.124 7.380 1.00 0.00 N ATOM 1077 CA PRO A 73 13.001 4.072 7.789 1.00 0.00 C ATOM 1078 C PRO A 73 13.310 2.852 8.650 1.00 0.00 C ATOM 1079 O PRO A 73 14.462 2.432 8.758 1.00 0.00 O ATOM 1080 CB PRO A 73 13.182 5.358 8.600 1.00 0.00 C ATOM 1081 CG PRO A 73 11.819 5.682 9.105 1.00 0.00 C ATOM 1082 CD PRO A 73 10.862 5.215 8.044 1.00 0.00 C ATOM 0 HA PRO A 73 13.671 3.993 6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.884 5.213 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.577 6.164 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.625 5.181 10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.713 6.752 9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.924 4.865 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.614 6.015 7.347 1.00 0.00 H new ATOM 1090 N SER A 74 12.274 2.286 9.260 1.00 0.00 N ATOM 1091 CA SER A 74 12.436 1.115 10.114 1.00 0.00 C ATOM 1092 C SER A 74 12.123 -0.165 9.345 1.00 0.00 C ATOM 1093 O SER A 74 10.961 -0.531 9.173 1.00 0.00 O ATOM 1094 CB SER A 74 11.526 1.222 11.339 1.00 0.00 C ATOM 1095 OG SER A 74 11.821 2.385 12.093 1.00 0.00 O ATOM 0 H SER A 74 11.313 2.619 9.179 1.00 0.00 H new ATOM 0 HA SER A 74 13.474 1.076 10.443 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.484 1.246 11.021 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.648 0.338 11.965 1.00 0.00 H new ATOM 0 HG SER A 74 11.225 2.431 12.869 1.00 0.00 H new ATOM 1101 N SER A 75 13.171 -0.842 8.885 1.00 0.00 N ATOM 1102 CA SER A 75 13.010 -2.079 8.131 1.00 0.00 C ATOM 1103 C SER A 75 13.563 -3.267 8.912 1.00 0.00 C ATOM 1104 O SER A 75 14.774 -3.474 8.976 1.00 0.00 O ATOM 1105 CB SER A 75 13.715 -1.972 6.777 1.00 0.00 C ATOM 1106 OG SER A 75 13.295 -3.002 5.900 1.00 0.00 O ATOM 0 H SER A 75 14.140 -0.554 9.022 1.00 0.00 H new ATOM 0 HA SER A 75 11.944 -2.239 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.504 -1.001 6.330 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.794 -2.029 6.920 1.00 0.00 H new ATOM 0 HG SER A 75 13.759 -2.910 5.042 1.00 0.00 H new ATOM 1112 N GLY A 76 12.664 -4.047 9.506 1.00 0.00 N ATOM 1113 CA GLY A 76 13.079 -5.205 10.276 1.00 0.00 C ATOM 1114 C GLY A 76 14.068 -6.076 9.526 1.00 0.00 C ATOM 1115 O GLY A 76 13.644 -6.976 8.802 1.00 0.00 O ATOM 0 H GLY A 76 11.656 -3.897 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.529 -4.873 11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.202 -5.798 10.536 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.865 -1.706 4.536 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.190 -2.924 -0.269 1.00 0.00 ZN