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 Set 1.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.523 K(o=-0.52,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0104 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.0563 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 1.04 USER MOD Single : A 6 SER OG : rot 39:sc= 1.07 USER MOD Single : A 12 LYS NZ :NH3+ -109:sc= -0.292 (180deg=-1.84!) USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= 0.479 (180deg=-0.199) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -56:sc= 0.258 USER MOD Single : A 21 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.0099) USER MOD Single : A 22 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.3) USER MOD Single : A 23 TYR OH : rot 30: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= -3.4! C(o=-3.4!,f=-3!) 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= -4.24! C(o=-4.2!,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.27) USER MOD Single : A 59 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.33) 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 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 35.296 -47.776 26.174 1.00 0.00 N ATOM 2 CA GLY A 1 34.897 -46.502 25.606 1.00 0.00 C ATOM 3 C GLY A 1 33.402 -46.266 25.704 1.00 0.00 C ATOM 4 O GLY A 1 32.609 -47.196 25.558 1.00 0.00 O ATOM 0 H1 GLY A 1 36.074 -48.178 25.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.613 -47.635 27.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.487 -48.430 26.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.423 -45.698 26.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.200 -46.463 24.560 1.00 0.00 H new ATOM 8 N SER A 2 33.017 -45.019 25.955 1.00 0.00 N ATOM 9 CA SER A 2 31.608 -44.665 26.079 1.00 0.00 C ATOM 10 C SER A 2 31.358 -43.247 25.575 1.00 0.00 C ATOM 11 O SER A 2 32.249 -42.399 25.607 1.00 0.00 O ATOM 12 CB SER A 2 31.155 -44.788 27.535 1.00 0.00 C ATOM 13 OG SER A 2 30.685 -46.095 27.815 1.00 0.00 O ATOM 0 H SER A 2 33.661 -44.237 26.076 1.00 0.00 H new ATOM 0 HA SER A 2 31.030 -45.357 25.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.985 -44.547 28.199 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.366 -44.064 27.736 1.00 0.00 H new ATOM 0 HG SER A 2 31.131 -46.737 27.223 1.00 0.00 H new ATOM 19 N SER A 3 30.138 -42.998 25.108 1.00 0.00 N ATOM 20 CA SER A 3 29.770 -41.685 24.592 1.00 0.00 C ATOM 21 C SER A 3 28.264 -41.591 24.369 1.00 0.00 C ATOM 22 O SER A 3 27.552 -42.593 24.431 1.00 0.00 O ATOM 23 CB SER A 3 30.510 -41.402 23.283 1.00 0.00 C ATOM 24 OG SER A 3 30.008 -42.206 22.230 1.00 0.00 O ATOM 0 H SER A 3 29.388 -43.689 25.077 1.00 0.00 H new ATOM 0 HA SER A 3 30.057 -40.938 25.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.405 -40.349 23.023 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.575 -41.593 23.415 1.00 0.00 H new ATOM 0 HG SER A 3 30.496 -42.005 21.404 1.00 0.00 H new ATOM 30 N GLY A 4 27.785 -40.379 24.108 1.00 0.00 N ATOM 31 CA GLY A 4 26.366 -40.175 23.879 1.00 0.00 C ATOM 32 C GLY A 4 26.093 -39.310 22.665 1.00 0.00 C ATOM 33 O GLY A 4 27.000 -38.670 22.133 1.00 0.00 O ATOM 0 H GLY A 4 28.354 -39.534 24.051 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.879 -41.142 23.749 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.922 -39.710 24.759 1.00 0.00 H new ATOM 37 N SER A 5 24.839 -39.292 22.223 1.00 0.00 N ATOM 38 CA SER A 5 24.450 -38.503 21.060 1.00 0.00 C ATOM 39 C SER A 5 22.942 -38.276 21.038 1.00 0.00 C ATOM 40 O SER A 5 22.168 -39.127 21.475 1.00 0.00 O ATOM 41 CB SER A 5 24.891 -39.202 19.773 1.00 0.00 C ATOM 42 OG SER A 5 26.261 -38.958 19.504 1.00 0.00 O ATOM 0 H SER A 5 24.076 -39.815 22.653 1.00 0.00 H new ATOM 0 HA SER A 5 24.945 -37.534 21.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.720 -40.275 19.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.285 -38.850 18.938 1.00 0.00 H new ATOM 0 HG SER A 5 26.711 -38.677 20.328 1.00 0.00 H new ATOM 48 N SER A 6 22.531 -37.120 20.525 1.00 0.00 N ATOM 49 CA SER A 6 21.116 -36.778 20.448 1.00 0.00 C ATOM 50 C SER A 6 20.898 -35.569 19.543 1.00 0.00 C ATOM 51 O SER A 6 21.829 -34.817 19.257 1.00 0.00 O ATOM 52 CB SER A 6 20.563 -36.489 21.845 1.00 0.00 C ATOM 53 OG SER A 6 20.071 -37.671 22.453 1.00 0.00 O ATOM 0 H SER A 6 23.158 -36.405 20.157 1.00 0.00 H new ATOM 0 HA SER A 6 20.584 -37.629 20.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.346 -36.055 22.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.764 -35.751 21.778 1.00 0.00 H new ATOM 0 HG SER A 6 20.665 -38.421 22.238 1.00 0.00 H new ATOM 59 N GLY A 7 19.659 -35.389 19.095 1.00 0.00 N ATOM 60 CA GLY A 7 19.339 -34.271 18.227 1.00 0.00 C ATOM 61 C GLY A 7 17.854 -34.165 17.941 1.00 0.00 C ATOM 62 O GLY A 7 17.194 -35.168 17.665 1.00 0.00 O ATOM 0 H GLY A 7 18.871 -35.998 19.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.684 -33.346 18.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.880 -34.378 17.287 1.00 0.00 H new ATOM 66 N LEU A 8 17.326 -32.948 18.008 1.00 0.00 N ATOM 67 CA LEU A 8 15.908 -32.715 17.755 1.00 0.00 C ATOM 68 C LEU A 8 15.713 -31.781 16.564 1.00 0.00 C ATOM 69 O LEU A 8 16.673 -31.203 16.052 1.00 0.00 O ATOM 70 CB LEU A 8 15.239 -32.123 18.997 1.00 0.00 C ATOM 71 CG LEU A 8 14.883 -33.114 20.104 1.00 0.00 C ATOM 72 CD1 LEU A 8 16.143 -33.676 20.744 1.00 0.00 C ATOM 73 CD2 LEU A 8 14.001 -32.450 21.152 1.00 0.00 C ATOM 0 H LEU A 8 17.858 -32.108 18.235 1.00 0.00 H new ATOM 0 HA LEU A 8 15.444 -33.673 17.521 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.901 -31.365 19.415 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.327 -31.614 18.686 1.00 0.00 H new ATOM 0 HG LEU A 8 14.327 -33.940 19.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.869 -34.380 21.530 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.737 -34.190 19.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.727 -32.862 21.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.758 -33.171 21.932 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.531 -31.605 21.591 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.082 -32.098 20.684 1.00 0.00 H new ATOM 85 N LEU A 9 14.466 -31.637 16.130 1.00 0.00 N ATOM 86 CA LEU A 9 14.145 -30.771 15.001 1.00 0.00 C ATOM 87 C LEU A 9 13.028 -29.797 15.362 1.00 0.00 C ATOM 88 O LEU A 9 12.416 -29.907 16.424 1.00 0.00 O ATOM 89 CB LEU A 9 13.733 -31.611 13.790 1.00 0.00 C ATOM 90 CG LEU A 9 14.824 -32.491 13.181 1.00 0.00 C ATOM 91 CD1 LEU A 9 14.208 -33.642 12.401 1.00 0.00 C ATOM 92 CD2 LEU A 9 15.737 -31.666 12.286 1.00 0.00 C ATOM 0 H LEU A 9 13.661 -32.108 16.542 1.00 0.00 H new ATOM 0 HA LEU A 9 15.037 -30.196 14.751 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.900 -32.250 14.083 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.362 -30.939 13.016 1.00 0.00 H new ATOM 0 HG LEU A 9 15.422 -32.907 13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.000 -34.258 11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.597 -34.249 13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.585 -33.246 11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.508 -32.309 11.861 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.152 -31.220 11.481 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.206 -30.877 12.874 1.00 0.00 H new ATOM 104 N GLU A 10 12.769 -28.845 14.471 1.00 0.00 N ATOM 105 CA GLU A 10 11.724 -27.853 14.696 1.00 0.00 C ATOM 106 C GLU A 10 10.915 -27.616 13.425 1.00 0.00 C ATOM 107 O GLU A 10 11.476 -27.450 12.341 1.00 0.00 O ATOM 108 CB GLU A 10 12.337 -26.535 15.177 1.00 0.00 C ATOM 109 CG GLU A 10 12.822 -26.579 16.616 1.00 0.00 C ATOM 110 CD GLU A 10 11.736 -26.212 17.609 1.00 0.00 C ATOM 111 OE1 GLU A 10 11.360 -25.023 17.665 1.00 0.00 O ATOM 112 OE2 GLU A 10 11.263 -27.116 18.329 1.00 0.00 O ATOM 0 H GLU A 10 13.268 -28.740 13.588 1.00 0.00 H new ATOM 0 HA GLU A 10 11.054 -28.237 15.465 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.173 -26.275 14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.597 -25.741 15.076 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.191 -27.580 16.841 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.663 -25.895 16.733 1.00 0.00 H new ATOM 119 N ILE A 11 9.594 -27.603 13.566 1.00 0.00 N ATOM 120 CA ILE A 11 8.707 -27.387 12.429 1.00 0.00 C ATOM 121 C ILE A 11 7.983 -26.049 12.543 1.00 0.00 C ATOM 122 O ILE A 11 7.415 -25.725 13.587 1.00 0.00 O ATOM 123 CB ILE A 11 7.664 -28.513 12.306 1.00 0.00 C ATOM 124 CG1 ILE A 11 8.339 -29.880 12.441 1.00 0.00 C ATOM 125 CG2 ILE A 11 6.926 -28.409 10.980 1.00 0.00 C ATOM 126 CD1 ILE A 11 9.229 -30.233 11.270 1.00 0.00 C ATOM 0 H ILE A 11 9.114 -27.739 14.456 1.00 0.00 H new ATOM 0 HA ILE A 11 9.333 -27.384 11.537 1.00 0.00 H new ATOM 0 HB ILE A 11 6.938 -28.406 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.932 -29.894 13.355 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.571 -30.646 12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.192 -29.212 10.908 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.418 -27.447 10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.638 -28.494 10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.674 -31.214 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.637 -30.251 10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.019 -29.488 11.176 1.00 0.00 H new ATOM 138 N LYS A 12 8.006 -25.276 11.463 1.00 0.00 N ATOM 139 CA LYS A 12 7.350 -23.975 11.439 1.00 0.00 C ATOM 140 C LYS A 12 6.761 -23.687 10.061 1.00 0.00 C ATOM 141 O LYS A 12 7.422 -23.883 9.041 1.00 0.00 O ATOM 142 CB LYS A 12 8.341 -22.873 11.822 1.00 0.00 C ATOM 143 CG LYS A 12 9.549 -22.797 10.905 1.00 0.00 C ATOM 144 CD LYS A 12 10.464 -21.645 11.282 1.00 0.00 C ATOM 145 CE LYS A 12 9.939 -20.319 10.751 1.00 0.00 C ATOM 146 NZ LYS A 12 9.012 -19.664 11.714 1.00 0.00 N ATOM 0 H LYS A 12 8.473 -25.529 10.592 1.00 0.00 H new ATOM 0 HA LYS A 12 6.538 -23.993 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.826 -21.913 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.681 -23.041 12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.103 -23.734 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.217 -22.677 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.557 -21.593 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.463 -21.827 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.777 -19.653 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.423 -20.485 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.041 -19.708 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.058 -20.156 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.289 -18.670 11.841 1.00 0.00 H new ATOM 160 N ARG A 13 5.517 -23.220 10.040 1.00 0.00 N ATOM 161 CA ARG A 13 4.841 -22.906 8.787 1.00 0.00 C ATOM 162 C ARG A 13 3.489 -22.248 9.049 1.00 0.00 C ATOM 163 O ARG A 13 3.017 -22.206 10.185 1.00 0.00 O ATOM 164 CB ARG A 13 4.650 -24.174 7.953 1.00 0.00 C ATOM 165 CG ARG A 13 3.490 -25.040 8.418 1.00 0.00 C ATOM 166 CD ARG A 13 3.683 -25.506 9.852 1.00 0.00 C ATOM 167 NE ARG A 13 3.084 -26.817 10.087 1.00 0.00 N ATOM 168 CZ ARG A 13 2.651 -27.225 11.274 1.00 0.00 C ATOM 169 NH1 ARG A 13 2.749 -26.429 12.329 1.00 0.00 N ATOM 170 NH2 ARG A 13 2.117 -28.433 11.408 1.00 0.00 N ATOM 0 H ARG A 13 4.957 -23.051 10.876 1.00 0.00 H new ATOM 0 HA ARG A 13 5.466 -22.206 8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.488 -23.893 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.567 -24.762 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.560 -24.477 8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.395 -25.906 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.748 -25.548 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.241 -24.778 10.532 1.00 0.00 H new ATOM 0 HE ARG A 13 2.993 -27.454 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.158 -25.500 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.415 -26.746 13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.039 -29.049 10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.785 -28.745 12.320 1.00 0.00 H new ATOM 184 N LYS A 14 2.871 -21.736 7.990 1.00 0.00 N ATOM 185 CA LYS A 14 1.573 -21.081 8.104 1.00 0.00 C ATOM 186 C LYS A 14 0.586 -21.958 8.869 1.00 0.00 C ATOM 187 O LYS A 14 0.396 -23.127 8.539 1.00 0.00 O ATOM 188 CB LYS A 14 1.017 -20.761 6.715 1.00 0.00 C ATOM 189 CG LYS A 14 -0.164 -19.805 6.738 1.00 0.00 C ATOM 190 CD LYS A 14 -1.076 -20.017 5.542 1.00 0.00 C ATOM 191 CE LYS A 14 -2.146 -21.058 5.834 1.00 0.00 C ATOM 192 NZ LYS A 14 -3.139 -20.568 6.829 1.00 0.00 N ATOM 0 H LYS A 14 3.248 -21.762 7.043 1.00 0.00 H new ATOM 0 HA LYS A 14 1.710 -20.152 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.811 -20.330 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.713 -21.689 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.730 -19.947 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.199 -18.777 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.549 -19.073 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.484 -20.333 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.659 -21.321 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.676 -21.967 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.077 -20.958 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.856 -20.874 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.180 -19.529 6.796 1.00 0.00 H new ATOM 206 N GLY A 15 -0.040 -21.383 9.892 1.00 0.00 N ATOM 207 CA GLY A 15 -1.000 -22.127 10.686 1.00 0.00 C ATOM 208 C GLY A 15 -2.393 -22.097 10.089 1.00 0.00 C ATOM 209 O GLY A 15 -2.922 -21.029 9.783 1.00 0.00 O ATOM 0 H GLY A 15 0.101 -20.416 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.669 -23.162 10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.031 -21.714 11.694 1.00 0.00 H new ATOM 213 N ALA A 16 -2.988 -23.273 9.920 1.00 0.00 N ATOM 214 CA ALA A 16 -4.328 -23.377 9.356 1.00 0.00 C ATOM 215 C ALA A 16 -5.364 -22.744 10.279 1.00 0.00 C ATOM 216 O ALA A 16 -5.079 -22.451 11.441 1.00 0.00 O ATOM 217 CB ALA A 16 -4.677 -24.834 9.090 1.00 0.00 C ATOM 0 H ALA A 16 -2.563 -24.167 10.166 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.340 -22.833 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.680 -24.897 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.961 -25.257 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.640 -25.393 10.025 1.00 0.00 H new ATOM 223 N LYS A 17 -6.566 -22.533 9.755 1.00 0.00 N ATOM 224 CA LYS A 17 -7.645 -21.934 10.532 1.00 0.00 C ATOM 225 C LYS A 17 -9.004 -22.426 10.044 1.00 0.00 C ATOM 226 O LYS A 17 -9.145 -22.854 8.899 1.00 0.00 O ATOM 227 CB LYS A 17 -7.581 -20.408 10.441 1.00 0.00 C ATOM 228 CG LYS A 17 -6.295 -19.819 10.997 1.00 0.00 C ATOM 229 CD LYS A 17 -6.438 -18.333 11.278 1.00 0.00 C ATOM 230 CE LYS A 17 -6.428 -17.519 9.993 1.00 0.00 C ATOM 231 NZ LYS A 17 -6.367 -16.056 10.264 1.00 0.00 N ATOM 0 H LYS A 17 -6.818 -22.768 8.795 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.521 -22.235 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.686 -20.110 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.428 -19.984 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.023 -20.339 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.484 -19.980 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.368 -18.152 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.625 -18.004 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.572 -17.812 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.323 -17.744 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.362 -15.536 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.196 -15.772 10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.500 -15.837 10.795 1.00 0.00 H new ATOM 245 N ARG A 18 -10.002 -22.360 10.920 1.00 0.00 N ATOM 246 CA ARG A 18 -11.350 -22.798 10.578 1.00 0.00 C ATOM 247 C ARG A 18 -11.831 -22.124 9.296 1.00 0.00 C ATOM 248 O ARG A 18 -11.657 -20.920 9.112 1.00 0.00 O ATOM 249 CB ARG A 18 -12.316 -22.489 11.723 1.00 0.00 C ATOM 250 CG ARG A 18 -12.630 -21.009 11.872 1.00 0.00 C ATOM 251 CD ARG A 18 -11.437 -20.239 12.417 1.00 0.00 C ATOM 252 NE ARG A 18 -11.819 -18.921 12.919 1.00 0.00 N ATOM 253 CZ ARG A 18 -11.113 -18.244 13.817 1.00 0.00 C ATOM 254 NH1 ARG A 18 -9.994 -18.757 14.309 1.00 0.00 N ATOM 255 NH2 ARG A 18 -11.526 -17.051 14.224 1.00 0.00 N ATOM 0 H ARG A 18 -9.902 -22.007 11.872 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.325 -23.875 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.246 -23.034 11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.890 -22.857 12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.919 -20.598 10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.482 -20.882 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.972 -20.812 13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.690 -20.125 11.632 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.675 -18.498 12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.673 -19.674 13.998 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.454 -18.235 14.999 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.386 -16.653 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.983 -16.531 14.914 1.00 0.00 H new ATOM 269 N GLY A 19 -12.437 -22.911 8.412 1.00 0.00 N ATOM 270 CA GLY A 19 -12.934 -22.373 7.158 1.00 0.00 C ATOM 271 C GLY A 19 -11.881 -22.379 6.068 1.00 0.00 C ATOM 272 O GLY A 19 -11.633 -23.409 5.441 1.00 0.00 O ATOM 0 H GLY A 19 -12.593 -23.911 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.794 -22.957 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.283 -21.353 7.317 1.00 0.00 H new ATOM 276 N SER A 20 -11.263 -21.225 5.838 1.00 0.00 N ATOM 277 CA SER A 20 -10.235 -21.100 4.811 1.00 0.00 C ATOM 278 C SER A 20 -10.600 -21.917 3.575 1.00 0.00 C ATOM 279 O SER A 20 -9.754 -22.602 3.000 1.00 0.00 O ATOM 280 CB SER A 20 -8.881 -21.556 5.357 1.00 0.00 C ATOM 281 OG SER A 20 -7.829 -21.197 4.477 1.00 0.00 O ATOM 0 H SER A 20 -11.456 -20.363 6.349 1.00 0.00 H new ATOM 0 HA SER A 20 -10.168 -20.051 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.710 -21.107 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.888 -22.637 5.499 1.00 0.00 H new ATOM 0 HG SER A 20 -8.006 -21.567 3.587 1.00 0.00 H new ATOM 287 N GLN A 21 -11.864 -21.838 3.174 1.00 0.00 N ATOM 288 CA GLN A 21 -12.341 -22.571 2.007 1.00 0.00 C ATOM 289 C GLN A 21 -11.425 -22.343 0.809 1.00 0.00 C ATOM 290 O GLN A 21 -10.937 -23.294 0.198 1.00 0.00 O ATOM 291 CB GLN A 21 -13.769 -22.146 1.660 1.00 0.00 C ATOM 292 CG GLN A 21 -14.507 -23.147 0.786 1.00 0.00 C ATOM 293 CD GLN A 21 -14.993 -24.354 1.564 1.00 0.00 C ATOM 294 OE1 GLN A 21 -15.808 -24.231 2.479 1.00 0.00 O ATOM 295 NE2 GLN A 21 -14.493 -25.531 1.205 1.00 0.00 N ATOM 0 H GLN A 21 -12.576 -21.275 3.639 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.334 -23.634 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.330 -22.000 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -13.739 -21.184 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.359 -22.655 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.848 -23.478 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.820 -25.587 0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.782 -26.378 1.693 1.00 0.00 H new ATOM 304 N HIS A 22 -11.196 -21.076 0.478 1.00 0.00 N ATOM 305 CA HIS A 22 -10.338 -20.724 -0.648 1.00 0.00 C ATOM 306 C HIS A 22 -9.052 -20.061 -0.163 1.00 0.00 C ATOM 307 O HIS A 22 -8.863 -19.851 1.035 1.00 0.00 O ATOM 308 CB HIS A 22 -11.077 -19.789 -1.606 1.00 0.00 C ATOM 309 CG HIS A 22 -11.651 -18.578 -0.939 1.00 0.00 C ATOM 310 ND1 HIS A 22 -12.954 -18.165 -1.122 1.00 0.00 N ATOM 311 CD2 HIS A 22 -11.093 -17.690 -0.083 1.00 0.00 C ATOM 312 CE1 HIS A 22 -13.172 -17.074 -0.409 1.00 0.00 C ATOM 313 NE2 HIS A 22 -12.058 -16.766 0.231 1.00 0.00 N ATOM 0 H HIS A 22 -11.592 -20.277 0.973 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.077 -21.641 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.391 -19.470 -2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.881 -20.342 -2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.078 -17.706 0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.102 -16.527 -0.358 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.935 -15.970 0.857 1.00 0.00 H new ATOM 321 N TYR A 23 -8.170 -19.735 -1.102 1.00 0.00 N ATOM 322 CA TYR A 23 -6.900 -19.100 -0.770 1.00 0.00 C ATOM 323 C TYR A 23 -6.754 -17.765 -1.495 1.00 0.00 C ATOM 324 O TYR A 23 -6.400 -16.753 -0.889 1.00 0.00 O ATOM 325 CB TYR A 23 -5.735 -20.021 -1.135 1.00 0.00 C ATOM 326 CG TYR A 23 -4.520 -19.838 -0.253 1.00 0.00 C ATOM 327 CD1 TYR A 23 -3.583 -18.848 -0.524 1.00 0.00 C ATOM 328 CD2 TYR A 23 -4.310 -20.654 0.852 1.00 0.00 C ATOM 329 CE1 TYR A 23 -2.472 -18.678 0.278 1.00 0.00 C ATOM 330 CE2 TYR A 23 -3.202 -20.490 1.661 1.00 0.00 C ATOM 331 CZ TYR A 23 -2.286 -19.501 1.369 1.00 0.00 C ATOM 332 OH TYR A 23 -1.180 -19.334 2.172 1.00 0.00 O ATOM 0 H TYR A 23 -8.311 -19.900 -2.099 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.885 -18.914 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.068 -21.057 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.451 -19.841 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.726 -18.201 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.025 -21.430 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.753 -17.905 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.054 -21.132 2.517 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.909 -18.392 2.164 1.00 0.00 H new ATOM 342 N SER A 24 -7.029 -17.771 -2.795 1.00 0.00 N ATOM 343 CA SER A 24 -6.925 -16.562 -3.604 1.00 0.00 C ATOM 344 C SER A 24 -7.782 -15.443 -3.021 1.00 0.00 C ATOM 345 O SER A 24 -9.001 -15.573 -2.910 1.00 0.00 O ATOM 346 CB SER A 24 -7.353 -16.849 -5.045 1.00 0.00 C ATOM 347 OG SER A 24 -7.130 -15.724 -5.877 1.00 0.00 O ATOM 0 H SER A 24 -7.326 -18.599 -3.311 1.00 0.00 H new ATOM 0 HA SER A 24 -5.884 -16.239 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.798 -17.705 -5.429 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.409 -17.118 -5.067 1.00 0.00 H new ATOM 0 HG SER A 24 -7.410 -15.934 -6.792 1.00 0.00 H new ATOM 353 N ASP A 25 -7.135 -14.344 -2.649 1.00 0.00 N ATOM 354 CA ASP A 25 -7.836 -13.200 -2.077 1.00 0.00 C ATOM 355 C ASP A 25 -7.003 -11.930 -2.211 1.00 0.00 C ATOM 356 O ASP A 25 -5.776 -11.987 -2.299 1.00 0.00 O ATOM 357 CB ASP A 25 -8.163 -13.458 -0.606 1.00 0.00 C ATOM 358 CG ASP A 25 -9.131 -14.610 -0.421 1.00 0.00 C ATOM 359 OD1 ASP A 25 -8.695 -15.775 -0.530 1.00 0.00 O ATOM 360 OD2 ASP A 25 -10.325 -14.346 -0.167 1.00 0.00 O ATOM 0 H ASP A 25 -6.126 -14.221 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.766 -13.063 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.242 -13.671 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.589 -12.555 -0.168 1.00 0.00 H new ATOM 365 N ARG A 26 -7.677 -10.784 -2.227 1.00 0.00 N ATOM 366 CA ARG A 26 -6.999 -9.500 -2.353 1.00 0.00 C ATOM 367 C ARG A 26 -7.011 -8.747 -1.026 1.00 0.00 C ATOM 368 O ARG A 26 -7.940 -7.993 -0.735 1.00 0.00 O ATOM 369 CB ARG A 26 -7.664 -8.652 -3.439 1.00 0.00 C ATOM 370 CG ARG A 26 -7.805 -9.370 -4.771 1.00 0.00 C ATOM 371 CD ARG A 26 -6.451 -9.615 -5.418 1.00 0.00 C ATOM 372 NE ARG A 26 -6.570 -10.352 -6.674 1.00 0.00 N ATOM 373 CZ ARG A 26 -5.595 -10.438 -7.571 1.00 0.00 C ATOM 374 NH1 ARG A 26 -4.434 -9.836 -7.352 1.00 0.00 N ATOM 375 NH2 ARG A 26 -5.779 -11.128 -8.689 1.00 0.00 N ATOM 0 H ARG A 26 -8.692 -10.719 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.963 -9.690 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.652 -8.345 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.081 -7.743 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.315 -10.322 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.428 -8.777 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.960 -8.660 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.816 -10.172 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.451 -10.827 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.289 -9.306 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.686 -9.903 -8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.670 -11.593 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.029 -11.193 -9.377 1.00 0.00 H new ATOM 389 N THR A 27 -5.972 -8.957 -0.223 1.00 0.00 N ATOM 390 CA THR A 27 -5.864 -8.300 1.074 1.00 0.00 C ATOM 391 C THR A 27 -4.496 -7.650 1.248 1.00 0.00 C ATOM 392 O THR A 27 -3.497 -8.127 0.707 1.00 0.00 O ATOM 393 CB THR A 27 -6.098 -9.293 2.228 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.697 -10.609 1.831 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.562 -9.306 2.641 1.00 0.00 C ATOM 0 H THR A 27 -5.194 -9.577 -0.448 1.00 0.00 H new ATOM 0 HA THR A 27 -6.636 -7.531 1.104 1.00 0.00 H new ATOM 0 HB THR A 27 -5.499 -8.973 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.847 -11.234 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.703 -10.014 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.856 -8.309 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.177 -9.604 1.792 1.00 0.00 H new ATOM 403 N CYS A 28 -4.456 -6.560 2.006 1.00 0.00 N ATOM 404 CA CYS A 28 -3.210 -5.844 2.253 1.00 0.00 C ATOM 405 C CYS A 28 -2.134 -6.789 2.777 1.00 0.00 C ATOM 406 O CYS A 28 -2.437 -7.827 3.365 1.00 0.00 O ATOM 407 CB CYS A 28 -3.439 -4.709 3.253 1.00 0.00 C ATOM 408 SG CYS A 28 -2.040 -3.552 3.398 1.00 0.00 S ATOM 0 H CYS A 28 -5.273 -6.152 2.461 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.869 -5.423 1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.328 -4.152 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.644 -5.139 4.233 1.00 0.00 H new ATOM 413 N ALA A 29 -0.875 -6.423 2.558 1.00 0.00 N ATOM 414 CA ALA A 29 0.247 -7.237 3.010 1.00 0.00 C ATOM 415 C ALA A 29 0.848 -6.678 4.295 1.00 0.00 C ATOM 416 O ALA A 29 1.875 -7.161 4.772 1.00 0.00 O ATOM 417 CB ALA A 29 1.307 -7.324 1.922 1.00 0.00 C ATOM 0 H ALA A 29 -0.607 -5.568 2.070 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.124 -8.240 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.139 -7.935 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.876 -7.777 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.667 -6.323 1.684 1.00 0.00 H new ATOM 423 N ARG A 30 0.203 -5.657 4.849 1.00 0.00 N ATOM 424 CA ARG A 30 0.676 -5.032 6.078 1.00 0.00 C ATOM 425 C ARG A 30 -0.416 -5.034 7.145 1.00 0.00 C ATOM 426 O ARG A 30 -0.143 -5.243 8.327 1.00 0.00 O ATOM 427 CB ARG A 30 1.131 -3.597 5.803 1.00 0.00 C ATOM 428 CG ARG A 30 2.153 -3.487 4.684 1.00 0.00 C ATOM 429 CD ARG A 30 3.571 -3.667 5.204 1.00 0.00 C ATOM 430 NE ARG A 30 3.879 -2.735 6.286 1.00 0.00 N ATOM 431 CZ ARG A 30 3.750 -3.034 7.573 1.00 0.00 C ATOM 432 NH1 ARG A 30 3.320 -4.234 7.938 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.050 -2.132 8.499 1.00 0.00 N ATOM 0 H ARG A 30 -0.648 -5.245 4.466 1.00 0.00 H new ATOM 0 HA ARG A 30 1.523 -5.611 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.261 -2.991 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.557 -3.179 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.945 -4.240 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.062 -2.514 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.700 -4.690 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.278 -3.521 4.387 1.00 0.00 H new ATOM 0 HE ARG A 30 4.212 -1.803 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.088 -4.930 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.222 -4.461 8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.380 -1.207 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.950 -2.363 9.487 1.00 0.00 H new ATOM 447 N CYS A 31 -1.652 -4.801 6.719 1.00 0.00 N ATOM 448 CA CYS A 31 -2.785 -4.776 7.636 1.00 0.00 C ATOM 449 C CYS A 31 -3.783 -5.880 7.298 1.00 0.00 C ATOM 450 O CYS A 31 -4.762 -6.085 8.016 1.00 0.00 O ATOM 451 CB CYS A 31 -3.479 -3.413 7.584 1.00 0.00 C ATOM 452 SG CYS A 31 -4.152 -2.983 5.947 1.00 0.00 S ATOM 0 H CYS A 31 -1.895 -4.627 5.744 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.408 -4.947 8.644 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.290 -3.402 8.313 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.768 -2.644 7.886 1.00 0.00 H new ATOM 457 N GLN A 32 -3.527 -6.587 6.203 1.00 0.00 N ATOM 458 CA GLN A 32 -4.403 -7.669 5.770 1.00 0.00 C ATOM 459 C GLN A 32 -5.860 -7.220 5.761 1.00 0.00 C ATOM 460 O GLN A 32 -6.759 -7.992 6.095 1.00 0.00 O ATOM 461 CB GLN A 32 -4.237 -8.884 6.685 1.00 0.00 C ATOM 462 CG GLN A 32 -2.863 -9.530 6.596 1.00 0.00 C ATOM 463 CD GLN A 32 -1.742 -8.564 6.926 1.00 0.00 C ATOM 464 OE1 GLN A 32 -0.788 -8.418 6.162 1.00 0.00 O ATOM 465 NE2 GLN A 32 -1.852 -7.898 8.070 1.00 0.00 N ATOM 0 H GLN A 32 -2.720 -6.430 5.599 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.122 -7.946 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.420 -8.580 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.995 -9.625 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.820 -10.378 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.715 -9.923 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.660 -8.050 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.128 -7.234 8.345 1.00 0.00 H new ATOM 474 N GLU A 33 -6.086 -5.967 5.378 1.00 0.00 N ATOM 475 CA GLU A 33 -7.435 -5.416 5.328 1.00 0.00 C ATOM 476 C GLU A 33 -8.170 -5.891 4.078 1.00 0.00 C ATOM 477 O GLU A 33 -7.583 -6.528 3.203 1.00 0.00 O ATOM 478 CB GLU A 33 -7.386 -3.887 5.354 1.00 0.00 C ATOM 479 CG GLU A 33 -7.389 -3.302 6.756 1.00 0.00 C ATOM 480 CD GLU A 33 -8.586 -3.749 7.572 1.00 0.00 C ATOM 481 OE1 GLU A 33 -9.710 -3.293 7.274 1.00 0.00 O ATOM 482 OE2 GLU A 33 -8.400 -4.553 8.509 1.00 0.00 O ATOM 0 H GLU A 33 -5.353 -5.315 5.098 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.978 -5.770 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.490 -3.552 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.242 -3.495 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.474 -3.595 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.384 -2.214 6.692 1.00 0.00 H new ATOM 489 N SER A 34 -9.460 -5.576 4.001 1.00 0.00 N ATOM 490 CA SER A 34 -10.277 -5.974 2.861 1.00 0.00 C ATOM 491 C SER A 34 -10.142 -4.971 1.719 1.00 0.00 C ATOM 492 O SER A 34 -10.777 -3.916 1.725 1.00 0.00 O ATOM 493 CB SER A 34 -11.744 -6.096 3.277 1.00 0.00 C ATOM 494 OG SER A 34 -11.881 -6.893 4.440 1.00 0.00 O ATOM 0 H SER A 34 -9.961 -5.047 4.715 1.00 0.00 H new ATOM 0 HA SER A 34 -9.923 -6.944 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.156 -5.104 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.321 -6.534 2.462 1.00 0.00 H new ATOM 0 HG SER A 34 -12.828 -6.953 4.685 1.00 0.00 H new ATOM 500 N LEU A 35 -9.309 -5.308 0.741 1.00 0.00 N ATOM 501 CA LEU A 35 -9.089 -4.438 -0.410 1.00 0.00 C ATOM 502 C LEU A 35 -10.166 -4.651 -1.468 1.00 0.00 C ATOM 503 O LEU A 35 -9.902 -4.554 -2.666 1.00 0.00 O ATOM 504 CB LEU A 35 -7.707 -4.697 -1.013 1.00 0.00 C ATOM 505 CG LEU A 35 -6.529 -4.643 -0.039 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.363 -5.465 -0.567 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.103 -3.203 0.203 1.00 0.00 C ATOM 0 H LEU A 35 -8.775 -6.177 0.721 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.142 -3.404 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.717 -5.679 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.534 -3.965 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.848 -5.071 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.534 -5.415 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.675 -6.502 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.044 -5.067 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.264 -3.184 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.802 -2.749 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.937 -2.643 0.626 1.00 0.00 H new ATOM 519 N GLY A 36 -11.383 -4.941 -1.017 1.00 0.00 N ATOM 520 CA GLY A 36 -12.483 -5.161 -1.938 1.00 0.00 C ATOM 521 C GLY A 36 -12.563 -4.093 -3.011 1.00 0.00 C ATOM 522 O GLY A 36 -12.111 -4.300 -4.137 1.00 0.00 O ATOM 0 H GLY A 36 -11.627 -5.027 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.369 -6.137 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.420 -5.183 -1.381 1.00 0.00 H new ATOM 526 N ARG A 37 -13.142 -2.949 -2.662 1.00 0.00 N ATOM 527 CA ARG A 37 -13.283 -1.845 -3.605 1.00 0.00 C ATOM 528 C ARG A 37 -11.940 -1.498 -4.240 1.00 0.00 C ATOM 529 O ARG A 37 -11.796 -1.515 -5.463 1.00 0.00 O ATOM 530 CB ARG A 37 -13.860 -0.616 -2.901 1.00 0.00 C ATOM 531 CG ARG A 37 -14.502 0.383 -3.849 1.00 0.00 C ATOM 532 CD ARG A 37 -13.498 1.417 -4.335 1.00 0.00 C ATOM 533 NE ARG A 37 -13.899 2.016 -5.604 1.00 0.00 N ATOM 534 CZ ARG A 37 -13.202 2.962 -6.224 1.00 0.00 C ATOM 535 NH1 ARG A 37 -12.073 3.413 -5.693 1.00 0.00 N ATOM 536 NH2 ARG A 37 -13.632 3.458 -7.377 1.00 0.00 N ATOM 0 H ARG A 37 -13.521 -2.762 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.968 -2.158 -4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.602 -0.941 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.064 -0.118 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.924 -0.145 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.328 0.885 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.391 2.199 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.521 0.948 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.762 1.690 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.739 3.033 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.539 4.139 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.499 3.113 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.096 4.184 -7.852 1.00 0.00 H new ATOM 550 N LEU A 38 -10.958 -1.184 -3.402 1.00 0.00 N ATOM 551 CA LEU A 38 -9.626 -0.832 -3.881 1.00 0.00 C ATOM 552 C LEU A 38 -9.123 -1.856 -4.893 1.00 0.00 C ATOM 553 O LEU A 38 -9.456 -3.039 -4.811 1.00 0.00 O ATOM 554 CB LEU A 38 -8.650 -0.735 -2.707 1.00 0.00 C ATOM 555 CG LEU A 38 -8.759 0.523 -1.845 1.00 0.00 C ATOM 556 CD1 LEU A 38 -8.029 0.330 -0.525 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.208 1.730 -2.590 1.00 0.00 C ATOM 0 H LEU A 38 -11.059 -1.166 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.688 0.138 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.797 -1.604 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.635 -0.796 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.812 0.704 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.117 1.235 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.469 -0.508 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.976 0.124 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.294 2.616 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.160 1.559 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.775 1.881 -3.509 1.00 0.00 H new ATOM 569 N SER A 39 -8.319 -1.394 -5.844 1.00 0.00 N ATOM 570 CA SER A 39 -7.771 -2.270 -6.874 1.00 0.00 C ATOM 571 C SER A 39 -6.380 -2.762 -6.484 1.00 0.00 C ATOM 572 O SER A 39 -5.466 -1.978 -6.226 1.00 0.00 O ATOM 573 CB SER A 39 -7.707 -1.538 -8.215 1.00 0.00 C ATOM 574 OG SER A 39 -7.337 -2.420 -9.261 1.00 0.00 O ATOM 0 H SER A 39 -8.032 -0.418 -5.923 1.00 0.00 H new ATOM 0 HA SER A 39 -8.430 -3.133 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.677 -1.093 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.988 -0.721 -8.153 1.00 0.00 H new ATOM 0 HG SER A 39 -7.305 -1.928 -10.108 1.00 0.00 H new ATOM 580 N PRO A 40 -6.215 -4.092 -6.440 1.00 0.00 N ATOM 581 CA PRO A 40 -4.939 -4.720 -6.084 1.00 0.00 C ATOM 582 C PRO A 40 -3.876 -4.525 -7.160 1.00 0.00 C ATOM 583 O PRO A 40 -2.678 -4.564 -6.878 1.00 0.00 O ATOM 584 CB PRO A 40 -5.298 -6.202 -5.950 1.00 0.00 C ATOM 585 CG PRO A 40 -6.499 -6.380 -6.813 1.00 0.00 C ATOM 586 CD PRO A 40 -7.260 -5.086 -6.736 1.00 0.00 C ATOM 0 HA PRO A 40 -4.511 -4.287 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.477 -6.839 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.512 -6.465 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.212 -6.603 -7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.110 -7.213 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.771 -4.864 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.021 -5.113 -5.956 1.00 0.00 H new ATOM 594 N LYS A 41 -4.322 -4.314 -8.394 1.00 0.00 N ATOM 595 CA LYS A 41 -3.409 -4.111 -9.513 1.00 0.00 C ATOM 596 C LYS A 41 -2.502 -2.911 -9.264 1.00 0.00 C ATOM 597 O LYS A 41 -1.305 -3.064 -9.018 1.00 0.00 O ATOM 598 CB LYS A 41 -4.197 -3.908 -10.809 1.00 0.00 C ATOM 599 CG LYS A 41 -3.320 -3.611 -12.013 1.00 0.00 C ATOM 600 CD LYS A 41 -3.053 -2.122 -12.155 1.00 0.00 C ATOM 601 CE LYS A 41 -2.749 -1.746 -13.598 1.00 0.00 C ATOM 602 NZ LYS A 41 -2.537 -0.280 -13.755 1.00 0.00 N ATOM 0 H LYS A 41 -5.310 -4.279 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.787 -5.001 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.786 -4.803 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.901 -3.087 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.374 -4.143 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.803 -3.983 -12.917 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.920 -1.561 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.214 -1.839 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.860 -2.280 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.572 -2.065 -14.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.332 -0.064 -14.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.395 0.228 -13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.736 0.020 -13.164 1.00 0.00 H new ATOM 616 N THR A 42 -3.079 -1.714 -9.327 1.00 0.00 N ATOM 617 CA THR A 42 -2.322 -0.488 -9.108 1.00 0.00 C ATOM 618 C THR A 42 -1.810 -0.407 -7.675 1.00 0.00 C ATOM 619 O THR A 42 -0.820 0.268 -7.397 1.00 0.00 O ATOM 620 CB THR A 42 -3.174 0.759 -9.409 1.00 0.00 C ATOM 621 OG1 THR A 42 -2.421 1.945 -9.134 1.00 0.00 O ATOM 622 CG2 THR A 42 -4.449 0.757 -8.578 1.00 0.00 C ATOM 0 H THR A 42 -4.068 -1.568 -9.528 1.00 0.00 H new ATOM 0 HA THR A 42 -1.474 -0.513 -9.792 1.00 0.00 H new ATOM 0 HB THR A 42 -3.447 0.739 -10.464 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.969 2.733 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.034 1.647 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.034 -0.132 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.193 0.755 -7.519 1.00 0.00 H new ATOM 630 N ASN A 43 -2.492 -1.099 -6.768 1.00 0.00 N ATOM 631 CA ASN A 43 -2.105 -1.104 -5.361 1.00 0.00 C ATOM 632 C ASN A 43 -1.012 -2.137 -5.102 1.00 0.00 C ATOM 633 O ASN A 43 -1.065 -2.881 -4.122 1.00 0.00 O ATOM 634 CB ASN A 43 -3.320 -1.398 -4.478 1.00 0.00 C ATOM 635 CG ASN A 43 -4.336 -0.273 -4.500 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.115 0.767 -5.122 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.458 -0.475 -3.819 1.00 0.00 N ATOM 0 H ASN A 43 -3.315 -1.663 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.714 -0.117 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.795 -2.320 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.989 -1.565 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.178 0.247 -3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.600 -1.352 -3.318 1.00 0.00 H new ATOM 644 N THR A 44 -0.020 -2.175 -5.986 1.00 0.00 N ATOM 645 CA THR A 44 1.086 -3.115 -5.854 1.00 0.00 C ATOM 646 C THR A 44 2.398 -2.387 -5.585 1.00 0.00 C ATOM 647 O THR A 44 2.901 -1.657 -6.439 1.00 0.00 O ATOM 648 CB THR A 44 1.242 -3.981 -7.118 1.00 0.00 C ATOM 649 OG1 THR A 44 0.059 -4.760 -7.328 1.00 0.00 O ATOM 650 CG2 THR A 44 2.447 -4.901 -6.999 1.00 0.00 C ATOM 0 H THR A 44 0.040 -1.565 -6.801 1.00 0.00 H new ATOM 0 HA THR A 44 0.852 -3.760 -5.007 1.00 0.00 H new ATOM 0 HB THR A 44 1.395 -3.317 -7.969 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.555 -4.270 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.536 -5.502 -7.904 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.350 -4.304 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.320 -5.557 -6.138 1.00 0.00 H new ATOM 658 N CYS A 45 2.948 -2.591 -4.393 1.00 0.00 N ATOM 659 CA CYS A 45 4.203 -1.954 -4.011 1.00 0.00 C ATOM 660 C CYS A 45 5.308 -2.288 -5.008 1.00 0.00 C ATOM 661 O CYS A 45 5.753 -3.432 -5.098 1.00 0.00 O ATOM 662 CB CYS A 45 4.617 -2.397 -2.606 1.00 0.00 C ATOM 663 SG CYS A 45 6.284 -1.851 -2.116 1.00 0.00 S ATOM 0 H CYS A 45 2.545 -3.192 -3.675 1.00 0.00 H new ATOM 0 HA CYS A 45 4.050 -0.875 -4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.894 -2.011 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.572 -3.485 -2.551 1.00 0.00 H new ATOM 668 N ARG A 46 5.747 -1.280 -5.756 1.00 0.00 N ATOM 669 CA ARG A 46 6.799 -1.467 -6.748 1.00 0.00 C ATOM 670 C ARG A 46 8.085 -1.960 -6.090 1.00 0.00 C ATOM 671 O ARG A 46 8.986 -2.459 -6.762 1.00 0.00 O ATOM 672 CB ARG A 46 7.065 -0.157 -7.493 1.00 0.00 C ATOM 673 CG ARG A 46 5.807 0.500 -8.037 1.00 0.00 C ATOM 674 CD ARG A 46 6.140 1.635 -8.993 1.00 0.00 C ATOM 675 NE ARG A 46 4.972 2.070 -9.754 1.00 0.00 N ATOM 676 CZ ARG A 46 4.496 1.416 -10.807 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.084 0.303 -11.222 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.428 1.875 -11.448 1.00 0.00 N ATOM 0 H ARG A 46 5.390 -0.326 -5.694 1.00 0.00 H new ATOM 0 HA ARG A 46 6.463 -2.221 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.566 0.539 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.750 -0.351 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.200 -0.245 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.209 0.883 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.540 2.478 -8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.921 1.312 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 46 4.496 2.923 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.905 -0.053 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.716 -0.197 -12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.972 2.731 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.063 1.372 -12.257 1.00 0.00 H new ATOM 692 N GLY A 47 8.162 -1.816 -4.771 1.00 0.00 N ATOM 693 CA GLY A 47 9.341 -2.250 -4.044 1.00 0.00 C ATOM 694 C GLY A 47 9.406 -3.757 -3.894 1.00 0.00 C ATOM 695 O GLY A 47 10.324 -4.400 -4.406 1.00 0.00 O ATOM 0 H GLY A 47 7.429 -1.406 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.234 -1.901 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.346 -1.789 -3.056 1.00 0.00 H new ATOM 699 N CYS A 48 8.432 -4.323 -3.190 1.00 0.00 N ATOM 700 CA CYS A 48 8.383 -5.764 -2.972 1.00 0.00 C ATOM 701 C CYS A 48 7.262 -6.400 -3.789 1.00 0.00 C ATOM 702 O CYS A 48 6.850 -7.528 -3.522 1.00 0.00 O ATOM 703 CB CYS A 48 8.183 -6.069 -1.486 1.00 0.00 C ATOM 704 SG CYS A 48 6.789 -5.176 -0.725 1.00 0.00 S ATOM 0 H CYS A 48 7.665 -3.806 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 48 9.332 -6.189 -3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.024 -7.140 -1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.098 -5.819 -0.948 1.00 0.00 H new ATOM 709 N ASN A 49 6.774 -5.667 -4.784 1.00 0.00 N ATOM 710 CA ASN A 49 5.701 -6.159 -5.640 1.00 0.00 C ATOM 711 C ASN A 49 4.626 -6.863 -4.816 1.00 0.00 C ATOM 712 O ASN A 49 4.113 -7.910 -5.210 1.00 0.00 O ATOM 713 CB ASN A 49 6.259 -7.118 -6.694 1.00 0.00 C ATOM 714 CG ASN A 49 7.288 -6.456 -7.590 1.00 0.00 C ATOM 715 OD1 ASN A 49 8.423 -6.214 -7.177 1.00 0.00 O ATOM 716 ND2 ASN A 49 6.896 -6.159 -8.823 1.00 0.00 N ATOM 0 H ASN A 49 7.104 -4.731 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 49 5.249 -5.303 -6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.712 -7.976 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.440 -7.499 -7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.545 -5.712 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.946 -6.378 -9.123 1.00 0.00 H new ATOM 723 N HIS A 50 4.291 -6.278 -3.670 1.00 0.00 N ATOM 724 CA HIS A 50 3.276 -6.848 -2.790 1.00 0.00 C ATOM 725 C HIS A 50 1.965 -6.076 -2.902 1.00 0.00 C ATOM 726 O HIS A 50 1.900 -5.032 -3.553 1.00 0.00 O ATOM 727 CB HIS A 50 3.765 -6.839 -1.341 1.00 0.00 C ATOM 728 CG HIS A 50 4.590 -8.036 -0.980 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.374 -9.288 -1.515 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.638 -8.166 -0.134 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.252 -10.137 -1.012 1.00 0.00 C ATOM 732 NE2 HIS A 50 6.031 -9.481 -0.171 1.00 0.00 N ATOM 0 H HIS A 50 4.707 -5.411 -3.329 1.00 0.00 H new ATOM 0 HA HIS A 50 3.098 -7.878 -3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.353 -5.938 -1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.903 -6.788 -0.676 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.083 -7.381 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.321 -11.189 -1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.800 -9.886 0.364 1.00 0.00 H new ATOM 740 N LEU A 51 0.922 -6.596 -2.264 1.00 0.00 N ATOM 741 CA LEU A 51 -0.389 -5.957 -2.292 1.00 0.00 C ATOM 742 C LEU A 51 -0.662 -5.217 -0.987 1.00 0.00 C ATOM 743 O LEU A 51 -0.765 -5.829 0.076 1.00 0.00 O ATOM 744 CB LEU A 51 -1.481 -6.999 -2.539 1.00 0.00 C ATOM 745 CG LEU A 51 -2.914 -6.549 -2.252 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.294 -5.375 -3.141 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.885 -7.705 -2.449 1.00 0.00 C ATOM 0 H LEU A 51 0.959 -7.459 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.396 -5.233 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.423 -7.318 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.266 -7.874 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.971 -6.224 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.317 -5.069 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.618 -4.541 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.220 -5.672 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.900 -7.367 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.825 -8.060 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.626 -8.517 -1.770 1.00 0.00 H new ATOM 759 N VAL A 52 -0.779 -3.896 -1.074 1.00 0.00 N ATOM 760 CA VAL A 52 -1.044 -3.072 0.099 1.00 0.00 C ATOM 761 C VAL A 52 -2.083 -1.999 -0.205 1.00 0.00 C ATOM 762 O VAL A 52 -2.351 -1.691 -1.367 1.00 0.00 O ATOM 763 CB VAL A 52 0.241 -2.396 0.612 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.990 -3.320 1.560 1.00 0.00 C ATOM 765 CG2 VAL A 52 1.127 -1.984 -0.554 1.00 0.00 C ATOM 0 H VAL A 52 -0.694 -3.373 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.429 -3.737 0.872 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.037 -1.498 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.895 -2.825 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.354 -3.561 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.259 -4.238 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.031 -1.508 -0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.398 -2.866 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.588 -1.283 -1.191 1.00 0.00 H new ATOM 775 N CYS A 53 -2.666 -1.432 0.846 1.00 0.00 N ATOM 776 CA CYS A 53 -3.676 -0.392 0.692 1.00 0.00 C ATOM 777 C CYS A 53 -3.027 0.963 0.429 1.00 0.00 C ATOM 778 O CYS A 53 -1.802 1.077 0.383 1.00 0.00 O ATOM 779 CB CYS A 53 -4.553 -0.315 1.944 1.00 0.00 C ATOM 780 SG CYS A 53 -3.644 0.113 3.463 1.00 0.00 S ATOM 0 H CYS A 53 -2.456 -1.676 1.814 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.298 -0.649 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.336 0.426 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.048 -1.276 2.088 1.00 0.00 H new ATOM 785 N ARG A 54 -3.856 1.987 0.256 1.00 0.00 N ATOM 786 CA ARG A 54 -3.363 3.334 -0.004 1.00 0.00 C ATOM 787 C ARG A 54 -2.978 4.032 1.297 1.00 0.00 C ATOM 788 O ARG A 54 -2.718 5.236 1.314 1.00 0.00 O ATOM 789 CB ARG A 54 -4.423 4.155 -0.742 1.00 0.00 C ATOM 790 CG ARG A 54 -4.859 3.540 -2.061 1.00 0.00 C ATOM 791 CD ARG A 54 -4.008 4.040 -3.218 1.00 0.00 C ATOM 792 NE ARG A 54 -4.569 5.242 -3.830 1.00 0.00 N ATOM 793 CZ ARG A 54 -5.558 5.222 -4.717 1.00 0.00 C ATOM 794 NH1 ARG A 54 -6.093 4.068 -5.092 1.00 0.00 N ATOM 795 NH2 ARG A 54 -6.014 6.358 -5.229 1.00 0.00 N ATOM 0 H ARG A 54 -4.872 1.909 0.291 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.475 3.254 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.295 4.270 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.031 5.155 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.788 2.454 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.906 3.781 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.000 4.251 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.922 3.256 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.180 6.146 -3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.745 3.193 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.852 4.055 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.605 7.247 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.773 6.342 -5.910 1.00 0.00 H new ATOM 809 N ASP A 55 -2.945 3.270 2.384 1.00 0.00 N ATOM 810 CA ASP A 55 -2.592 3.815 3.690 1.00 0.00 C ATOM 811 C ASP A 55 -1.248 3.268 4.162 1.00 0.00 C ATOM 812 O ASP A 55 -0.494 3.954 4.852 1.00 0.00 O ATOM 813 CB ASP A 55 -3.679 3.486 4.715 1.00 0.00 C ATOM 814 CG ASP A 55 -4.703 4.596 4.847 1.00 0.00 C ATOM 815 OD1 ASP A 55 -4.317 5.778 4.735 1.00 0.00 O ATOM 816 OD2 ASP A 55 -5.892 4.281 5.063 1.00 0.00 O ATOM 0 H ASP A 55 -3.158 2.273 2.387 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.510 4.898 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.182 2.564 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.217 3.304 5.685 1.00 0.00 H new ATOM 821 N CYS A 56 -0.955 2.027 3.785 1.00 0.00 N ATOM 822 CA CYS A 56 0.296 1.386 4.170 1.00 0.00 C ATOM 823 C CYS A 56 1.396 1.687 3.156 1.00 0.00 C ATOM 824 O CYS A 56 2.467 1.080 3.188 1.00 0.00 O ATOM 825 CB CYS A 56 0.101 -0.126 4.295 1.00 0.00 C ATOM 826 SG CYS A 56 -0.946 -0.628 5.698 1.00 0.00 S ATOM 0 H CYS A 56 -1.568 1.446 3.213 1.00 0.00 H new ATOM 0 HA CYS A 56 0.599 1.787 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.342 -0.502 3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.077 -0.600 4.396 1.00 0.00 H new ATOM 831 N ARG A 57 1.123 2.627 2.257 1.00 0.00 N ATOM 832 CA ARG A 57 2.089 3.007 1.233 1.00 0.00 C ATOM 833 C ARG A 57 2.517 4.462 1.403 1.00 0.00 C ATOM 834 O ARG A 57 1.857 5.236 2.097 1.00 0.00 O ATOM 835 CB ARG A 57 1.494 2.799 -0.161 1.00 0.00 C ATOM 836 CG ARG A 57 0.064 3.298 -0.294 1.00 0.00 C ATOM 837 CD ARG A 57 -0.011 4.812 -0.172 1.00 0.00 C ATOM 838 NE ARG A 57 -1.082 5.374 -0.991 1.00 0.00 N ATOM 839 CZ ARG A 57 -1.290 6.678 -1.135 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.503 7.550 -0.519 1.00 0.00 N ATOM 841 NH2 ARG A 57 -2.285 7.113 -1.898 1.00 0.00 N ATOM 0 H ARG A 57 0.242 3.139 2.217 1.00 0.00 H new ATOM 0 HA ARG A 57 2.968 2.372 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.118 3.311 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.523 1.737 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.342 2.989 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.556 2.839 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.171 5.084 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.942 5.248 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.704 4.730 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.264 7.220 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.665 8.551 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.891 6.446 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.443 8.115 -2.008 1.00 0.00 H new ATOM 855 N ILE A 58 3.625 4.825 0.766 1.00 0.00 N ATOM 856 CA ILE A 58 4.140 6.186 0.847 1.00 0.00 C ATOM 857 C ILE A 58 4.443 6.743 -0.540 1.00 0.00 C ATOM 858 O ILE A 58 5.278 6.205 -1.266 1.00 0.00 O ATOM 859 CB ILE A 58 5.418 6.255 1.705 1.00 0.00 C ATOM 860 CG1 ILE A 58 5.111 5.853 3.149 1.00 0.00 C ATOM 861 CG2 ILE A 58 6.016 7.653 1.654 1.00 0.00 C ATOM 862 CD1 ILE A 58 5.303 4.377 3.419 1.00 0.00 C ATOM 0 H ILE A 58 4.183 4.196 0.188 1.00 0.00 H new ATOM 0 HA ILE A 58 3.363 6.789 1.317 1.00 0.00 H new ATOM 0 HB ILE A 58 6.148 5.554 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.753 6.423 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.082 6.126 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.918 7.685 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.267 7.904 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.292 8.372 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.068 4.164 4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.642 3.800 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.338 4.102 3.217 1.00 0.00 H new ATOM 874 N GLN A 59 3.758 7.824 -0.900 1.00 0.00 N ATOM 875 CA GLN A 59 3.954 8.454 -2.200 1.00 0.00 C ATOM 876 C GLN A 59 5.339 9.087 -2.295 1.00 0.00 C ATOM 877 O GLN A 59 5.732 9.873 -1.435 1.00 0.00 O ATOM 878 CB GLN A 59 2.879 9.514 -2.444 1.00 0.00 C ATOM 879 CG GLN A 59 1.594 8.953 -3.031 1.00 0.00 C ATOM 880 CD GLN A 59 1.772 8.445 -4.449 1.00 0.00 C ATOM 881 OE1 GLN A 59 1.581 7.261 -4.725 1.00 0.00 O ATOM 882 NE2 GLN A 59 2.140 9.342 -5.356 1.00 0.00 N ATOM 0 H GLN A 59 3.063 8.281 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 59 3.874 7.682 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.651 10.012 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.276 10.273 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.236 8.139 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.826 9.727 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.287 10.313 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.275 9.060 -6.327 1.00 0.00 H new ATOM 891 N GLU A 60 6.074 8.736 -3.346 1.00 0.00 N ATOM 892 CA GLU A 60 7.415 9.270 -3.552 1.00 0.00 C ATOM 893 C GLU A 60 7.382 10.487 -4.471 1.00 0.00 C ATOM 894 O GLU A 60 6.787 10.448 -5.549 1.00 0.00 O ATOM 895 CB GLU A 60 8.330 8.195 -4.143 1.00 0.00 C ATOM 896 CG GLU A 60 8.784 7.158 -3.130 1.00 0.00 C ATOM 897 CD GLU A 60 10.151 6.585 -3.454 1.00 0.00 C ATOM 898 OE1 GLU A 60 11.034 7.362 -3.873 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.336 5.362 -3.289 1.00 0.00 O ATOM 0 H GLU A 60 5.764 8.085 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 60 7.808 9.580 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.807 7.692 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.207 8.675 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.810 7.611 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.055 6.349 -3.092 1.00 0.00 H new ATOM 906 N SER A 61 8.024 11.567 -4.037 1.00 0.00 N ATOM 907 CA SER A 61 8.065 12.797 -4.818 1.00 0.00 C ATOM 908 C SER A 61 8.162 12.491 -6.310 1.00 0.00 C ATOM 909 O SER A 61 7.423 13.051 -7.119 1.00 0.00 O ATOM 910 CB SER A 61 9.250 13.662 -4.386 1.00 0.00 C ATOM 911 OG SER A 61 10.461 12.928 -4.434 1.00 0.00 O ATOM 0 H SER A 61 8.523 11.615 -3.149 1.00 0.00 H new ATOM 0 HA SER A 61 7.140 13.344 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.324 14.534 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.085 14.031 -3.374 1.00 0.00 H new ATOM 0 HG SER A 61 11.204 13.503 -4.155 1.00 0.00 H new ATOM 917 N ASN A 62 9.079 11.597 -6.666 1.00 0.00 N ATOM 918 CA ASN A 62 9.274 11.216 -8.060 1.00 0.00 C ATOM 919 C ASN A 62 7.954 10.793 -8.698 1.00 0.00 C ATOM 920 O ASN A 62 7.631 11.203 -9.812 1.00 0.00 O ATOM 921 CB ASN A 62 10.291 10.077 -8.161 1.00 0.00 C ATOM 922 CG ASN A 62 11.358 10.158 -7.087 1.00 0.00 C ATOM 923 OD1 ASN A 62 11.771 11.247 -6.687 1.00 0.00 O ATOM 924 ND2 ASN A 62 11.810 9.002 -6.615 1.00 0.00 N ATOM 0 H ASN A 62 9.698 11.123 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 62 9.655 12.084 -8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.772 9.122 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.765 10.102 -9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.529 8.993 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.439 8.123 -6.976 1.00 0.00 H new ATOM 931 N GLY A 63 7.194 9.969 -7.982 1.00 0.00 N ATOM 932 CA GLY A 63 5.919 9.504 -8.494 1.00 0.00 C ATOM 933 C GLY A 63 5.561 8.119 -7.990 1.00 0.00 C ATOM 934 O GLY A 63 4.401 7.840 -7.688 1.00 0.00 O ATOM 0 H GLY A 63 7.439 9.616 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.137 10.206 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.951 9.494 -9.583 1.00 0.00 H new ATOM 938 N THR A 64 6.562 7.248 -7.900 1.00 0.00 N ATOM 939 CA THR A 64 6.347 5.884 -7.432 1.00 0.00 C ATOM 940 C THR A 64 5.917 5.866 -5.969 1.00 0.00 C ATOM 941 O THR A 64 5.720 6.916 -5.358 1.00 0.00 O ATOM 942 CB THR A 64 7.618 5.029 -7.592 1.00 0.00 C ATOM 943 OG1 THR A 64 8.685 5.588 -6.818 1.00 0.00 O ATOM 944 CG2 THR A 64 8.033 4.946 -9.053 1.00 0.00 C ATOM 0 H THR A 64 7.529 7.463 -8.145 1.00 0.00 H new ATOM 0 HA THR A 64 5.553 5.460 -8.047 1.00 0.00 H new ATOM 0 HB THR A 64 7.400 4.022 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.489 5.038 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.933 4.337 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.230 4.493 -9.634 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.234 5.948 -9.432 1.00 0.00 H new ATOM 952 N TRP A 65 5.775 4.668 -5.415 1.00 0.00 N ATOM 953 CA TRP A 65 5.369 4.514 -4.022 1.00 0.00 C ATOM 954 C TRP A 65 5.735 3.130 -3.498 1.00 0.00 C ATOM 955 O TRP A 65 5.886 2.184 -4.271 1.00 0.00 O ATOM 956 CB TRP A 65 3.863 4.745 -3.880 1.00 0.00 C ATOM 957 CG TRP A 65 3.035 3.655 -4.490 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.432 3.672 -5.715 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.718 2.389 -3.902 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.758 2.492 -5.924 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.919 1.688 -4.827 1.00 0.00 C ATOM 962 CE3 TRP A 65 3.032 1.778 -2.685 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.431 0.409 -4.570 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.547 0.509 -2.432 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.754 -0.165 -3.371 1.00 0.00 C ATOM 0 H TRP A 65 5.935 3.789 -5.908 1.00 0.00 H new ATOM 0 HA TRP A 65 5.901 5.258 -3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.614 4.832 -2.822 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.603 5.694 -4.348 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.478 4.492 -6.417 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.225 2.254 -6.760 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.643 2.289 -1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.819 -0.111 -5.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.783 0.028 -1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.391 -1.156 -3.144 1.00 0.00 H new ATOM 976 N ARG A 66 5.875 3.018 -2.182 1.00 0.00 N ATOM 977 CA ARG A 66 6.225 1.749 -1.555 1.00 0.00 C ATOM 978 C ARG A 66 5.516 1.592 -0.213 1.00 0.00 C ATOM 979 O ARG A 66 4.970 2.553 0.329 1.00 0.00 O ATOM 980 CB ARG A 66 7.739 1.652 -1.359 1.00 0.00 C ATOM 981 CG ARG A 66 8.466 1.021 -2.535 1.00 0.00 C ATOM 982 CD ARG A 66 9.974 1.062 -2.345 1.00 0.00 C ATOM 983 NE ARG A 66 10.689 0.952 -3.613 1.00 0.00 N ATOM 984 CZ ARG A 66 11.973 0.624 -3.707 1.00 0.00 C ATOM 985 NH1 ARG A 66 12.679 0.373 -2.613 1.00 0.00 N ATOM 986 NH2 ARG A 66 12.553 0.545 -4.898 1.00 0.00 N ATOM 0 H ARG A 66 5.751 3.791 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 66 5.899 0.945 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.140 2.651 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.944 1.069 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.141 -0.013 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.199 1.545 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.252 1.994 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.278 0.249 -1.686 1.00 0.00 H new ATOM 0 HE ARG A 66 10.175 1.137 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.236 0.431 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.665 0.121 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.013 0.736 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.539 0.293 -4.969 1.00 0.00 H new ATOM 1000 N CYS A 67 5.529 0.373 0.318 1.00 0.00 N ATOM 1001 CA CYS A 67 4.887 0.089 1.595 1.00 0.00 C ATOM 1002 C CYS A 67 5.679 0.698 2.749 1.00 0.00 C ATOM 1003 O CYS A 67 6.873 0.968 2.623 1.00 0.00 O ATOM 1004 CB CYS A 67 4.752 -1.422 1.796 1.00 0.00 C ATOM 1005 SG CYS A 67 6.342 -2.309 1.857 1.00 0.00 S ATOM 0 H CYS A 67 5.977 -0.433 -0.117 1.00 0.00 H new ATOM 0 HA CYS A 67 3.894 0.538 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.209 -1.607 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.150 -1.833 0.986 1.00 0.00 H new ATOM 1010 N LYS A 68 5.005 0.911 3.874 1.00 0.00 N ATOM 1011 CA LYS A 68 5.643 1.487 5.052 1.00 0.00 C ATOM 1012 C LYS A 68 6.956 0.774 5.361 1.00 0.00 C ATOM 1013 O LYS A 68 7.967 1.413 5.655 1.00 0.00 O ATOM 1014 CB LYS A 68 4.706 1.400 6.259 1.00 0.00 C ATOM 1015 CG LYS A 68 3.333 1.997 6.007 1.00 0.00 C ATOM 1016 CD LYS A 68 2.566 2.198 7.303 1.00 0.00 C ATOM 1017 CE LYS A 68 1.634 3.398 7.219 1.00 0.00 C ATOM 1018 NZ LYS A 68 0.700 3.457 8.377 1.00 0.00 N ATOM 0 H LYS A 68 4.016 0.693 3.995 1.00 0.00 H new ATOM 0 HA LYS A 68 5.859 2.535 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.591 0.354 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.166 1.913 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.439 2.953 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.766 1.342 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.988 1.302 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.268 2.338 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.224 4.314 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.061 3.349 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.082 4.288 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.119 2.595 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.245 3.530 9.260 1.00 0.00 H new ATOM 1032 N VAL A 69 6.934 -0.553 5.293 1.00 0.00 N ATOM 1033 CA VAL A 69 8.124 -1.352 5.564 1.00 0.00 C ATOM 1034 C VAL A 69 9.234 -1.040 4.567 1.00 0.00 C ATOM 1035 O VAL A 69 10.417 -1.076 4.907 1.00 0.00 O ATOM 1036 CB VAL A 69 7.811 -2.859 5.511 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.037 -3.673 5.896 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.635 -3.191 6.418 1.00 0.00 C ATOM 0 H VAL A 69 6.106 -1.098 5.053 1.00 0.00 H new ATOM 0 HA VAL A 69 8.458 -1.092 6.568 1.00 0.00 H new ATOM 0 HB VAL A 69 7.537 -3.120 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.797 -4.735 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.850 -3.456 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.344 -3.411 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.428 -4.260 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.878 -2.916 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.756 -2.635 6.092 1.00 0.00 H new ATOM 1048 N CYS A 70 8.846 -0.732 3.334 1.00 0.00 N ATOM 1049 CA CYS A 70 9.808 -0.413 2.286 1.00 0.00 C ATOM 1050 C CYS A 70 10.260 1.041 2.388 1.00 0.00 C ATOM 1051 O CYS A 70 11.421 1.321 2.687 1.00 0.00 O ATOM 1052 CB CYS A 70 9.197 -0.672 0.908 1.00 0.00 C ATOM 1053 SG CYS A 70 9.384 -2.388 0.323 1.00 0.00 S ATOM 0 H CYS A 70 7.871 -0.697 3.036 1.00 0.00 H new ATOM 0 HA CYS A 70 10.678 -1.057 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.136 -0.424 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.660 -0.000 0.185 1.00 0.00 H new ATOM 1058 N SER A 71 9.335 1.962 2.137 1.00 0.00 N ATOM 1059 CA SER A 71 9.639 3.387 2.197 1.00 0.00 C ATOM 1060 C SER A 71 10.208 3.764 3.562 1.00 0.00 C ATOM 1061 O SER A 71 11.158 4.541 3.658 1.00 0.00 O ATOM 1062 CB SER A 71 8.383 4.211 1.911 1.00 0.00 C ATOM 1063 OG SER A 71 8.552 5.558 2.318 1.00 0.00 O ATOM 0 H SER A 71 8.369 1.747 1.890 1.00 0.00 H new ATOM 0 HA SER A 71 10.389 3.605 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.156 4.176 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.531 3.774 2.433 1.00 0.00 H new ATOM 0 HG SER A 71 8.294 6.156 1.585 1.00 0.00 H new ATOM 1069 N GLY A 72 9.619 3.208 4.616 1.00 0.00 N ATOM 1070 CA GLY A 72 10.079 3.497 5.962 1.00 0.00 C ATOM 1071 C GLY A 72 11.137 2.520 6.435 1.00 0.00 C ATOM 1072 O GLY A 72 11.094 1.329 6.129 1.00 0.00 O ATOM 0 H GLY A 72 8.831 2.562 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.482 4.509 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.231 3.469 6.646 1.00 0.00 H new ATOM 1076 N PRO A 73 12.115 3.027 7.200 1.00 0.00 N ATOM 1077 CA PRO A 73 13.208 2.208 7.732 1.00 0.00 C ATOM 1078 C PRO A 73 12.735 1.238 8.809 1.00 0.00 C ATOM 1079 O PRO A 73 13.526 0.473 9.361 1.00 0.00 O ATOM 1080 CB PRO A 73 14.168 3.240 8.328 1.00 0.00 C ATOM 1081 CG PRO A 73 13.309 4.414 8.652 1.00 0.00 C ATOM 1082 CD PRO A 73 12.230 4.438 7.605 1.00 0.00 C ATOM 0 HA PRO A 73 13.658 1.581 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.662 2.853 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.952 3.507 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.882 4.322 9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.888 5.337 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.290 4.819 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.500 5.077 6.764 1.00 0.00 H new ATOM 1090 N SER A 74 11.439 1.274 9.103 1.00 0.00 N ATOM 1091 CA SER A 74 10.861 0.400 10.117 1.00 0.00 C ATOM 1092 C SER A 74 9.337 0.477 10.096 1.00 0.00 C ATOM 1093 O SER A 74 8.761 1.512 9.759 1.00 0.00 O ATOM 1094 CB SER A 74 11.382 0.778 11.505 1.00 0.00 C ATOM 1095 OG SER A 74 10.747 1.950 11.987 1.00 0.00 O ATOM 0 H SER A 74 10.770 1.899 8.653 1.00 0.00 H new ATOM 0 HA SER A 74 11.160 -0.624 9.891 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.208 -0.045 12.198 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.460 0.936 11.462 1.00 0.00 H new ATOM 0 HG SER A 74 11.096 2.169 12.876 1.00 0.00 H new ATOM 1101 N SER A 75 8.690 -0.626 10.457 1.00 0.00 N ATOM 1102 CA SER A 75 7.233 -0.686 10.476 1.00 0.00 C ATOM 1103 C SER A 75 6.652 0.475 11.277 1.00 0.00 C ATOM 1104 O SER A 75 5.819 1.232 10.779 1.00 0.00 O ATOM 1105 CB SER A 75 6.764 -2.016 11.070 1.00 0.00 C ATOM 1106 OG SER A 75 6.931 -3.076 10.144 1.00 0.00 O ATOM 0 H SER A 75 9.151 -1.490 10.740 1.00 0.00 H new ATOM 0 HA SER A 75 6.877 -0.610 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.327 -2.231 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.715 -1.940 11.355 1.00 0.00 H new ATOM 0 HG SER A 75 6.626 -3.915 10.548 1.00 0.00 H new ATOM 1112 N GLY A 76 7.097 0.608 12.523 1.00 0.00 N ATOM 1113 CA GLY A 76 6.612 1.679 13.374 1.00 0.00 C ATOM 1114 C GLY A 76 5.313 1.322 14.070 1.00 0.00 C ATOM 1115 O GLY A 76 5.148 1.662 15.240 1.00 0.00 O ATOM 0 H GLY A 76 7.785 -0.007 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.369 1.916 14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.465 2.577 12.774 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.738 -1.693 4.616 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 7.171 -2.934 -0.255 1.00 0.00 ZN