USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 48 THR OG1 : rot 140:sc= 0.0869 USER MOD Set 1.2: A 50 THR OG1 : rot -48:sc= 0.152 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.472 K(o=0.14,f=-3!) USER MOD Set 2.2: A 33 TYR OH : rot 48:sc= -0.327 USER MOD Set 3.1: A 8 TYR OH : rot -115:sc= 1.55 USER MOD Set 3.2: A 16 TYR OH : rot -99:sc= -3.07! USER MOD Single : A 4 MET CE :methyl -156:sc= -0.819! (180deg=-2.83!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -28:sc= 0.353 USER MOD Single : A 34 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.63) USER MOD Single : A 35 ASN : amide:sc= -7.04! C(o=-7!,f=-21!) USER MOD Single : A 38 MET CE :methyl -146:sc= -0.0597 (180deg=-0.154) USER MOD Single : A 41 HIS : no HE2:sc= -0.326 K(o=-0.33,f=-4.8!) USER MOD Single : A 43 ASN : amide:sc= -6.14! C(o=-6.1!,f=-7.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 49 ASN : amide:sc=-0.00772 K(o=-0.0077,f=-1.4!) USER MOD Single : A 51 HIS : no HE2:sc= -3.04! X(o=-3!,f=-3.2) USER MOD Single : A 54 SER OG : rot -8:sc= 1.05 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= -1.3 (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.946 -30.427 2.007 1.00 0.00 N ATOM 42 CA MET A 4 4.838 -30.726 0.552 1.00 0.00 C ATOM 43 C MET A 4 6.145 -30.332 -0.134 1.00 0.00 C ATOM 44 O MET A 4 6.515 -30.878 -1.154 1.00 0.00 O ATOM 45 CB MET A 4 3.682 -29.926 -0.051 1.00 0.00 C ATOM 46 CG MET A 4 2.434 -30.097 0.818 1.00 0.00 C ATOM 47 SD MET A 4 1.878 -31.818 0.745 1.00 0.00 S ATOM 48 CE MET A 4 1.847 -31.974 -1.058 1.00 0.00 C ATOM 0 HA MET A 4 4.651 -31.790 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.951 -28.872 -0.116 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.480 -30.267 -1.066 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.655 -29.818 1.848 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.642 -29.433 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.154 -32.766 -1.343 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.522 -31.032 -1.499 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.846 -32.218 -1.419 1.00 0.00 H new ATOM 58 N CYS A 5 6.849 -29.385 0.424 1.00 0.00 N ATOM 59 CA CYS A 5 8.135 -28.950 -0.184 1.00 0.00 C ATOM 60 C CYS A 5 9.242 -29.924 0.222 1.00 0.00 C ATOM 61 O CYS A 5 10.281 -29.999 -0.403 1.00 0.00 O ATOM 62 CB CYS A 5 8.480 -27.547 0.319 1.00 0.00 C ATOM 63 SG CYS A 5 7.073 -26.451 0.056 1.00 0.00 S ATOM 0 H CYS A 5 6.586 -28.893 1.278 1.00 0.00 H new ATOM 0 HA CYS A 5 8.043 -28.937 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.735 -27.581 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.355 -27.165 -0.207 1.00 0.00 H new ATOM 68 N LYS A 6 9.027 -30.671 1.269 1.00 0.00 N ATOM 69 CA LYS A 6 10.062 -31.642 1.721 1.00 0.00 C ATOM 70 C LYS A 6 9.987 -32.914 0.872 1.00 0.00 C ATOM 71 O LYS A 6 10.620 -33.905 1.174 1.00 0.00 O ATOM 72 CB LYS A 6 9.819 -31.992 3.189 1.00 0.00 C ATOM 73 CG LYS A 6 9.620 -30.705 3.991 1.00 0.00 C ATOM 74 CD LYS A 6 9.914 -30.975 5.469 1.00 0.00 C ATOM 75 CE LYS A 6 9.684 -29.697 6.276 1.00 0.00 C ATOM 76 NZ LYS A 6 8.470 -29.858 7.124 1.00 0.00 N ATOM 0 H LYS A 6 8.177 -30.651 1.832 1.00 0.00 H new ATOM 0 HA LYS A 6 11.050 -31.196 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.941 -32.631 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.665 -32.554 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.280 -29.923 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.598 -30.344 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.270 -31.772 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.943 -31.314 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.552 -29.487 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.562 -28.847 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.313 -28.989 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.645 -30.039 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.604 -30.659 7.774 1.00 0.00 H new ATOM 90 N ASP A 7 9.216 -32.900 -0.183 1.00 0.00 N ATOM 91 CA ASP A 7 9.108 -34.118 -1.034 1.00 0.00 C ATOM 92 C ASP A 7 9.247 -33.738 -2.510 1.00 0.00 C ATOM 93 O ASP A 7 9.138 -34.574 -3.384 1.00 0.00 O ATOM 94 CB ASP A 7 7.748 -34.779 -0.804 1.00 0.00 C ATOM 95 CG ASP A 7 7.707 -35.384 0.601 1.00 0.00 C ATOM 96 OD1 ASP A 7 8.758 -35.487 1.211 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.625 -35.732 1.042 1.00 0.00 O ATOM 0 H ASP A 7 8.660 -32.102 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 7 9.904 -34.813 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.951 -34.045 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.577 -35.554 -1.551 1.00 0.00 H new ATOM 102 N TYR A 8 9.483 -32.487 -2.801 1.00 0.00 N ATOM 103 CA TYR A 8 9.623 -32.077 -4.228 1.00 0.00 C ATOM 104 C TYR A 8 11.018 -31.483 -4.462 1.00 0.00 C ATOM 105 O TYR A 8 11.572 -30.818 -3.609 1.00 0.00 O ATOM 106 CB TYR A 8 8.529 -31.048 -4.576 1.00 0.00 C ATOM 107 CG TYR A 8 9.037 -29.633 -4.390 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.421 -29.188 -3.120 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.125 -28.771 -5.490 1.00 0.00 C ATOM 110 CE1 TYR A 8 9.892 -27.880 -2.949 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.596 -27.464 -5.319 1.00 0.00 C ATOM 112 CZ TYR A 8 9.978 -27.018 -4.050 1.00 0.00 C ATOM 113 OH TYR A 8 10.442 -25.729 -3.882 1.00 0.00 O ATOM 0 H TYR A 8 9.584 -31.736 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 8 9.505 -32.947 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.206 -31.190 -5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.656 -31.211 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.354 -29.853 -2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.829 -29.115 -6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.189 -27.536 -1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.664 -26.800 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 8 9.722 -25.094 -4.078 1.00 0.00 H new ATOM 123 N ARG A 9 11.582 -31.711 -5.616 1.00 0.00 N ATOM 124 CA ARG A 9 12.930 -31.153 -5.913 1.00 0.00 C ATOM 125 C ARG A 9 12.869 -30.389 -7.235 1.00 0.00 C ATOM 126 O ARG A 9 12.375 -30.887 -8.227 1.00 0.00 O ATOM 127 CB ARG A 9 13.947 -32.291 -6.021 1.00 0.00 C ATOM 128 CG ARG A 9 14.354 -32.747 -4.618 1.00 0.00 C ATOM 129 CD ARG A 9 15.527 -33.726 -4.718 1.00 0.00 C ATOM 130 NE ARG A 9 15.601 -34.545 -3.475 1.00 0.00 N ATOM 131 CZ ARG A 9 14.850 -35.605 -3.343 1.00 0.00 C ATOM 132 NH1 ARG A 9 15.296 -36.772 -3.718 1.00 0.00 N ATOM 133 NH2 ARG A 9 13.653 -35.495 -2.835 1.00 0.00 N ATOM 0 H ARG A 9 11.166 -32.261 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 9 13.235 -30.480 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.518 -33.125 -6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.824 -31.958 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.636 -31.886 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.510 -33.224 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.400 -34.374 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.459 -33.179 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 9 16.239 -34.277 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.232 -36.857 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.709 -37.600 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.305 -34.582 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.065 -36.322 -2.731 1.00 0.00 H new ATOM 147 N VAL A 10 13.352 -29.177 -7.260 1.00 0.00 N ATOM 148 CA VAL A 10 13.300 -28.388 -8.522 1.00 0.00 C ATOM 149 C VAL A 10 14.717 -28.076 -9.009 1.00 0.00 C ATOM 150 O VAL A 10 15.607 -27.793 -8.233 1.00 0.00 O ATOM 151 CB VAL A 10 12.541 -27.084 -8.269 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.745 -26.132 -9.449 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.051 -27.390 -8.114 1.00 0.00 C ATOM 0 H VAL A 10 13.778 -28.701 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 10 12.787 -28.969 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 10 12.917 -26.616 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.203 -25.204 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.807 -25.916 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.370 -26.597 -10.361 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.506 -26.463 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.679 -27.858 -9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.904 -28.067 -7.272 1.00 0.00 H new ATOM 163 N LEU A 11 14.924 -28.124 -10.299 1.00 0.00 N ATOM 164 CA LEU A 11 16.272 -27.833 -10.864 1.00 0.00 C ATOM 165 C LEU A 11 16.145 -26.708 -11.898 1.00 0.00 C ATOM 166 O LEU A 11 15.055 -26.316 -12.260 1.00 0.00 O ATOM 167 CB LEU A 11 16.811 -29.098 -11.540 1.00 0.00 C ATOM 168 CG LEU A 11 17.653 -29.897 -10.542 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.942 -29.134 -10.226 1.00 0.00 C ATOM 170 CD2 LEU A 11 16.855 -30.104 -9.252 1.00 0.00 C ATOM 0 H LEU A 11 14.210 -28.354 -10.990 1.00 0.00 H new ATOM 0 HA LEU A 11 16.955 -27.524 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.984 -29.708 -11.904 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.415 -28.830 -12.407 1.00 0.00 H new ATOM 0 HG LEU A 11 17.904 -30.865 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.538 -29.706 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.512 -28.988 -11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.694 -28.164 -9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.454 -30.673 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.603 -29.135 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.939 -30.651 -9.475 1.00 0.00 H new ATOM 182 N PRO A 12 17.281 -26.178 -12.386 1.00 0.00 N ATOM 183 CA PRO A 12 17.279 -25.098 -13.383 1.00 0.00 C ATOM 184 C PRO A 12 16.707 -25.567 -14.723 1.00 0.00 C ATOM 185 O PRO A 12 16.248 -24.778 -15.525 1.00 0.00 O ATOM 186 CB PRO A 12 18.759 -24.743 -13.530 1.00 0.00 C ATOM 187 CG PRO A 12 19.479 -25.978 -13.111 1.00 0.00 C ATOM 188 CD PRO A 12 18.649 -26.581 -12.015 1.00 0.00 C ATOM 0 HA PRO A 12 16.659 -24.255 -13.078 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.002 -24.470 -14.557 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.028 -23.894 -12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.587 -26.670 -13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.484 -25.745 -12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.755 -27.665 -11.976 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.932 -26.198 -11.035 1.00 0.00 H new ATOM 196 N ARG A 13 16.727 -26.848 -14.968 1.00 0.00 N ATOM 197 CA ARG A 13 16.179 -27.372 -16.249 1.00 0.00 C ATOM 198 C ARG A 13 14.742 -27.850 -16.024 1.00 0.00 C ATOM 199 O ARG A 13 13.919 -27.818 -16.917 1.00 0.00 O ATOM 200 CB ARG A 13 17.039 -28.541 -16.733 1.00 0.00 C ATOM 201 CG ARG A 13 18.399 -28.013 -17.193 1.00 0.00 C ATOM 202 CD ARG A 13 19.218 -29.160 -17.788 1.00 0.00 C ATOM 203 NE ARG A 13 20.618 -28.701 -18.014 1.00 0.00 N ATOM 204 CZ ARG A 13 20.872 -27.820 -18.942 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.408 -26.673 -18.624 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.589 -28.084 -20.188 1.00 0.00 N ATOM 0 H ARG A 13 17.100 -27.555 -14.335 1.00 0.00 H new ATOM 0 HA ARG A 13 16.188 -26.583 -17.001 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.171 -29.267 -15.931 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.541 -29.059 -17.553 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.263 -27.226 -17.935 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.932 -27.570 -16.352 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.208 -30.017 -17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.775 -29.489 -18.728 1.00 0.00 H new ATOM 0 HE ARG A 13 21.376 -29.075 -17.444 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.628 -26.466 -17.650 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.607 -25.984 -19.350 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.169 -28.980 -20.437 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.788 -27.395 -20.913 1.00 0.00 H new ATOM 220 N ILE A 14 14.437 -28.292 -14.834 1.00 0.00 N ATOM 221 CA ILE A 14 13.055 -28.770 -14.545 1.00 0.00 C ATOM 222 C ILE A 14 12.162 -27.573 -14.215 1.00 0.00 C ATOM 223 O ILE A 14 11.077 -27.430 -14.742 1.00 0.00 O ATOM 224 CB ILE A 14 13.082 -29.725 -13.350 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.809 -31.014 -13.739 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.649 -30.056 -12.928 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.183 -31.790 -12.474 1.00 0.00 C ATOM 0 H ILE A 14 15.086 -28.343 -14.049 1.00 0.00 H new ATOM 0 HA ILE A 14 12.663 -29.291 -15.418 1.00 0.00 H new ATOM 0 HB ILE A 14 13.605 -29.250 -12.520 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.172 -31.625 -14.378 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.705 -30.780 -14.313 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.668 -30.736 -12.077 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.131 -29.139 -12.648 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.125 -30.529 -13.759 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.701 -32.708 -12.750 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.836 -31.178 -11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.279 -32.037 -11.918 1.00 0.00 H new ATOM 239 N GLY A 15 12.611 -26.711 -13.344 1.00 0.00 N ATOM 240 CA GLY A 15 11.789 -25.523 -12.978 1.00 0.00 C ATOM 241 C GLY A 15 10.834 -25.896 -11.843 1.00 0.00 C ATOM 242 O GLY A 15 10.881 -26.988 -11.313 1.00 0.00 O ATOM 0 H GLY A 15 13.512 -26.778 -12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.435 -24.701 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.225 -25.177 -13.844 1.00 0.00 H new ATOM 246 N TYR A 16 9.968 -24.997 -11.465 1.00 0.00 N ATOM 247 CA TYR A 16 9.013 -25.301 -10.363 1.00 0.00 C ATOM 248 C TYR A 16 7.836 -26.111 -10.914 1.00 0.00 C ATOM 249 O TYR A 16 7.497 -26.019 -12.077 1.00 0.00 O ATOM 250 CB TYR A 16 8.495 -23.995 -9.759 1.00 0.00 C ATOM 251 CG TYR A 16 8.350 -24.164 -8.267 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.477 -24.076 -7.441 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.091 -24.418 -7.710 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.344 -24.242 -6.058 1.00 0.00 C ATOM 255 CE2 TYR A 16 6.959 -24.582 -6.328 1.00 0.00 C ATOM 256 CZ TYR A 16 8.086 -24.494 -5.502 1.00 0.00 C ATOM 257 OH TYR A 16 7.956 -24.663 -4.141 1.00 0.00 O ATOM 0 H TYR A 16 9.880 -24.066 -11.871 1.00 0.00 H new ATOM 0 HA TYR A 16 9.523 -25.880 -9.593 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.184 -23.180 -9.980 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.535 -23.730 -10.202 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.448 -23.880 -7.871 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.222 -24.487 -8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.213 -24.175 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.988 -24.777 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 16 7.920 -25.620 -3.932 1.00 0.00 H new ATOM 267 N LEU A 17 7.211 -26.905 -10.086 1.00 0.00 N ATOM 268 CA LEU A 17 6.056 -27.720 -10.563 1.00 0.00 C ATOM 269 C LEU A 17 4.853 -27.496 -9.640 1.00 0.00 C ATOM 270 O LEU A 17 4.971 -27.518 -8.431 1.00 0.00 O ATOM 271 CB LEU A 17 6.439 -29.201 -10.555 1.00 0.00 C ATOM 272 CG LEU A 17 7.396 -29.489 -11.714 1.00 0.00 C ATOM 273 CD1 LEU A 17 7.740 -30.980 -11.735 1.00 0.00 C ATOM 274 CD2 LEU A 17 6.729 -29.102 -13.035 1.00 0.00 C ATOM 0 H LEU A 17 7.450 -27.024 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 17 5.794 -27.418 -11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.911 -29.460 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.546 -29.819 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 17 8.309 -28.907 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.422 -31.185 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.216 -31.257 -10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.828 -31.562 -11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.411 -29.307 -13.861 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.816 -29.683 -13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.485 -28.040 -13.022 1.00 0.00 H new ATOM 286 N CYS A 18 3.695 -27.284 -10.206 1.00 0.00 N ATOM 287 CA CYS A 18 2.478 -27.058 -9.372 1.00 0.00 C ATOM 288 C CYS A 18 1.259 -27.638 -10.095 1.00 0.00 C ATOM 289 O CYS A 18 1.271 -27.820 -11.296 1.00 0.00 O ATOM 290 CB CYS A 18 2.279 -25.556 -9.162 1.00 0.00 C ATOM 291 SG CYS A 18 3.702 -24.883 -8.267 1.00 0.00 S ATOM 0 H CYS A 18 3.539 -27.257 -11.214 1.00 0.00 H new ATOM 0 HA CYS A 18 2.598 -27.547 -8.405 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.169 -25.054 -10.123 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.363 -25.374 -8.601 1.00 0.00 H new ATOM 296 N PRO A 19 0.186 -27.932 -9.347 1.00 0.00 N ATOM 297 CA PRO A 19 -1.047 -28.491 -9.916 1.00 0.00 C ATOM 298 C PRO A 19 -1.782 -27.463 -10.777 1.00 0.00 C ATOM 299 O PRO A 19 -1.474 -26.288 -10.759 1.00 0.00 O ATOM 300 CB PRO A 19 -1.884 -28.843 -8.686 1.00 0.00 C ATOM 301 CG PRO A 19 -1.378 -27.936 -7.616 1.00 0.00 C ATOM 302 CD PRO A 19 0.088 -27.741 -7.890 1.00 0.00 C ATOM 0 HA PRO A 19 -0.852 -29.343 -10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.946 -28.684 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.761 -29.890 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.907 -26.983 -7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.535 -28.372 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.425 -26.749 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.699 -28.463 -7.347 1.00 0.00 H new ATOM 310 N LYS A 20 -2.749 -27.896 -11.537 1.00 0.00 N ATOM 311 CA LYS A 20 -3.496 -26.941 -12.401 1.00 0.00 C ATOM 312 C LYS A 20 -4.631 -26.299 -11.599 1.00 0.00 C ATOM 313 O LYS A 20 -5.117 -25.238 -11.938 1.00 0.00 O ATOM 314 CB LYS A 20 -4.073 -27.690 -13.604 1.00 0.00 C ATOM 315 CG LYS A 20 -4.618 -26.686 -14.619 1.00 0.00 C ATOM 316 CD LYS A 20 -5.218 -27.440 -15.808 1.00 0.00 C ATOM 317 CE LYS A 20 -5.669 -26.440 -16.873 1.00 0.00 C ATOM 318 NZ LYS A 20 -6.310 -27.171 -18.002 1.00 0.00 N ATOM 0 H LYS A 20 -3.054 -28.868 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.820 -26.161 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.302 -28.307 -14.065 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.867 -28.362 -13.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.376 -26.057 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.820 -26.026 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.481 -28.125 -16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.064 -28.044 -15.480 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.371 -25.726 -16.443 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.815 -25.868 -17.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.617 -26.491 -18.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.626 -27.835 -18.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.135 -27.698 -17.651 1.00 0.00 H new ATOM 332 N ASP A 21 -5.056 -26.929 -10.540 1.00 0.00 N ATOM 333 CA ASP A 21 -6.157 -26.348 -9.722 1.00 0.00 C ATOM 334 C ASP A 21 -5.658 -25.077 -9.032 1.00 0.00 C ATOM 335 O ASP A 21 -4.766 -25.118 -8.207 1.00 0.00 O ATOM 336 CB ASP A 21 -6.596 -27.362 -8.663 1.00 0.00 C ATOM 337 CG ASP A 21 -7.990 -26.992 -8.153 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.504 -25.970 -8.577 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.522 -27.738 -7.347 1.00 0.00 O ATOM 0 H ASP A 21 -4.689 -27.820 -10.206 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.002 -26.107 -10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.606 -28.366 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.885 -27.372 -7.837 1.00 0.00 H new ATOM 344 N LEU A 22 -6.223 -23.948 -9.360 1.00 0.00 N ATOM 345 CA LEU A 22 -5.776 -22.681 -8.719 1.00 0.00 C ATOM 346 C LEU A 22 -6.545 -22.469 -7.414 1.00 0.00 C ATOM 347 O LEU A 22 -7.757 -22.391 -7.402 1.00 0.00 O ATOM 348 CB LEU A 22 -6.041 -21.504 -9.662 1.00 0.00 C ATOM 349 CG LEU A 22 -5.865 -20.189 -8.897 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.418 -20.071 -8.410 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.190 -19.012 -9.819 1.00 0.00 C ATOM 0 H LEU A 22 -6.974 -23.849 -10.043 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.708 -22.742 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.355 -21.540 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.051 -21.569 -10.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.539 -20.176 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.293 -19.135 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.186 -20.908 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.744 -20.086 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.064 -18.077 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.517 -19.025 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.220 -19.095 -10.165 1.00 0.00 H new ATOM 363 N LYS A 23 -5.847 -22.367 -6.318 1.00 0.00 N ATOM 364 CA LYS A 23 -6.537 -22.151 -5.014 1.00 0.00 C ATOM 365 C LYS A 23 -5.786 -21.074 -4.228 1.00 0.00 C ATOM 366 O LYS A 23 -4.659 -21.269 -3.816 1.00 0.00 O ATOM 367 CB LYS A 23 -6.558 -23.455 -4.213 1.00 0.00 C ATOM 368 CG LYS A 23 -7.623 -24.390 -4.790 1.00 0.00 C ATOM 369 CD LYS A 23 -8.918 -24.242 -3.989 1.00 0.00 C ATOM 370 CE LYS A 23 -9.888 -25.359 -4.381 1.00 0.00 C ATOM 371 NZ LYS A 23 -10.771 -24.885 -5.485 1.00 0.00 N ATOM 0 H LYS A 23 -4.830 -22.424 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.564 -21.831 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.579 -23.934 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.771 -23.247 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.802 -24.152 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.275 -25.422 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.705 -24.288 -2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.369 -23.269 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.334 -26.242 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.489 -25.652 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.431 -25.644 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.309 -24.054 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.190 -24.626 -6.308 1.00 0.00 H new ATOM 385 N PRO A 24 -6.429 -19.915 -4.025 1.00 0.00 N ATOM 386 CA PRO A 24 -5.830 -18.784 -3.300 1.00 0.00 C ATOM 387 C PRO A 24 -5.564 -19.117 -1.832 1.00 0.00 C ATOM 388 O PRO A 24 -6.471 -19.372 -1.066 1.00 0.00 O ATOM 389 CB PRO A 24 -6.889 -17.686 -3.420 1.00 0.00 C ATOM 390 CG PRO A 24 -8.164 -18.423 -3.644 1.00 0.00 C ATOM 391 CD PRO A 24 -7.797 -19.615 -4.479 1.00 0.00 C ATOM 0 HA PRO A 24 -4.859 -18.502 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.935 -17.078 -2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.670 -17.011 -4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.612 -18.729 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.895 -17.796 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.473 -20.453 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.830 -19.389 -5.545 1.00 0.00 H new ATOM 399 N VAL A 25 -4.319 -19.122 -1.438 1.00 0.00 N ATOM 400 CA VAL A 25 -3.985 -19.442 -0.021 1.00 0.00 C ATOM 401 C VAL A 25 -3.404 -18.209 0.669 1.00 0.00 C ATOM 402 O VAL A 25 -2.857 -17.328 0.036 1.00 0.00 O ATOM 403 CB VAL A 25 -2.939 -20.558 0.017 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.496 -21.819 -0.644 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.690 -20.097 -0.737 1.00 0.00 C ATOM 0 H VAL A 25 -3.519 -18.918 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.893 -19.758 0.492 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.686 -20.783 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.745 -22.608 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.388 -22.146 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.752 -21.603 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.939 -20.887 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.951 -19.874 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.289 -19.201 -0.263 1.00 0.00 H new ATOM 415 N CYS A 26 -3.503 -18.152 1.968 1.00 0.00 N ATOM 416 CA CYS A 26 -2.941 -16.990 2.710 1.00 0.00 C ATOM 417 C CYS A 26 -1.593 -17.401 3.304 1.00 0.00 C ATOM 418 O CYS A 26 -1.500 -18.367 4.027 1.00 0.00 O ATOM 419 CB CYS A 26 -3.895 -16.589 3.838 1.00 0.00 C ATOM 420 SG CYS A 26 -3.273 -15.101 4.659 1.00 0.00 S ATOM 0 H CYS A 26 -3.950 -18.862 2.549 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.813 -16.143 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.892 -16.406 3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.986 -17.403 4.558 1.00 0.00 H new ATOM 425 N GLY A 27 -0.547 -16.684 3.003 1.00 0.00 N ATOM 426 CA GLY A 27 0.789 -17.052 3.552 1.00 0.00 C ATOM 427 C GLY A 27 0.918 -16.532 4.987 1.00 0.00 C ATOM 428 O GLY A 27 0.531 -15.421 5.293 1.00 0.00 O ATOM 0 H GLY A 27 -0.558 -15.860 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.915 -18.135 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.578 -16.630 2.929 1.00 0.00 H new ATOM 432 N ASP A 28 1.461 -17.328 5.869 1.00 0.00 N ATOM 433 CA ASP A 28 1.617 -16.885 7.284 1.00 0.00 C ATOM 434 C ASP A 28 2.571 -15.690 7.349 1.00 0.00 C ATOM 435 O ASP A 28 2.701 -15.043 8.368 1.00 0.00 O ATOM 436 CB ASP A 28 2.187 -18.035 8.117 1.00 0.00 C ATOM 437 CG ASP A 28 3.508 -18.501 7.501 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.963 -17.861 6.569 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.041 -19.493 7.973 1.00 0.00 O ATOM 0 H ASP A 28 1.804 -18.268 5.670 1.00 0.00 H new ATOM 0 HA ASP A 28 0.644 -16.593 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.347 -17.710 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.477 -18.861 8.151 1.00 0.00 H new ATOM 444 N ASP A 29 3.240 -15.391 6.269 1.00 0.00 N ATOM 445 CA ASP A 29 4.182 -14.238 6.274 1.00 0.00 C ATOM 446 C ASP A 29 3.422 -12.958 5.922 1.00 0.00 C ATOM 447 O ASP A 29 4.007 -11.954 5.570 1.00 0.00 O ATOM 448 CB ASP A 29 5.284 -14.476 5.241 1.00 0.00 C ATOM 449 CG ASP A 29 6.270 -15.517 5.776 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.952 -16.150 6.769 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.327 -15.661 5.184 1.00 0.00 O ATOM 0 H ASP A 29 3.175 -15.895 5.385 1.00 0.00 H new ATOM 0 HA ASP A 29 4.627 -14.136 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.849 -14.820 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.805 -13.542 5.028 1.00 0.00 H new ATOM 456 N GLY A 30 2.120 -12.986 6.013 1.00 0.00 N ATOM 457 CA GLY A 30 1.324 -11.771 5.682 1.00 0.00 C ATOM 458 C GLY A 30 1.232 -11.625 4.161 1.00 0.00 C ATOM 459 O GLY A 30 0.952 -10.561 3.646 1.00 0.00 O ATOM 0 H GLY A 30 1.574 -13.798 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.326 -11.848 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.791 -10.887 6.116 1.00 0.00 H new ATOM 463 N GLN A 31 1.466 -12.687 3.440 1.00 0.00 N ATOM 464 CA GLN A 31 1.391 -12.611 1.954 1.00 0.00 C ATOM 465 C GLN A 31 0.339 -13.597 1.448 1.00 0.00 C ATOM 466 O GLN A 31 -0.144 -14.434 2.182 1.00 0.00 O ATOM 467 CB GLN A 31 2.750 -12.973 1.353 1.00 0.00 C ATOM 468 CG GLN A 31 3.753 -11.856 1.637 1.00 0.00 C ATOM 469 CD GLN A 31 5.146 -12.302 1.187 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.329 -13.428 0.769 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.142 -11.462 1.255 1.00 0.00 N ATOM 0 H GLN A 31 1.706 -13.604 3.816 1.00 0.00 H new ATOM 0 HA GLN A 31 1.119 -11.598 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.107 -13.912 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.654 -13.124 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.462 -10.947 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.760 -11.620 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.989 -10.517 1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.074 -11.751 0.957 1.00 0.00 H new ATOM 480 N THR A 32 -0.016 -13.510 0.196 1.00 0.00 N ATOM 481 CA THR A 32 -1.033 -14.447 -0.357 1.00 0.00 C ATOM 482 C THR A 32 -0.502 -15.068 -1.649 1.00 0.00 C ATOM 483 O THR A 32 0.162 -14.420 -2.434 1.00 0.00 O ATOM 484 CB THR A 32 -2.325 -13.683 -0.653 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.785 -13.054 0.536 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.386 -14.658 -1.161 1.00 0.00 C ATOM 0 H THR A 32 0.354 -12.830 -0.468 1.00 0.00 H new ATOM 0 HA THR A 32 -1.235 -15.234 0.370 1.00 0.00 H new ATOM 0 HB THR A 32 -2.136 -12.925 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.489 -13.570 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.307 -14.115 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.031 -15.139 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.577 -15.416 -0.401 1.00 0.00 H new ATOM 494 N TYR A 33 -0.789 -16.319 -1.877 1.00 0.00 N ATOM 495 CA TYR A 33 -0.299 -16.982 -3.118 1.00 0.00 C ATOM 496 C TYR A 33 -1.491 -17.527 -3.905 1.00 0.00 C ATOM 497 O TYR A 33 -2.224 -18.374 -3.433 1.00 0.00 O ATOM 498 CB TYR A 33 0.641 -18.127 -2.746 1.00 0.00 C ATOM 499 CG TYR A 33 1.667 -17.623 -1.760 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.728 -16.824 -2.203 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.555 -17.949 -0.404 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.676 -16.352 -1.289 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.504 -17.477 0.511 1.00 0.00 C ATOM 504 CZ TYR A 33 3.565 -16.677 0.068 1.00 0.00 C ATOM 505 OH TYR A 33 4.500 -16.210 0.968 1.00 0.00 O ATOM 0 H TYR A 33 -1.342 -16.912 -1.258 1.00 0.00 H new ATOM 0 HA TYR A 33 0.240 -16.260 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.076 -18.952 -2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.134 -18.513 -3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.814 -16.572 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.736 -18.565 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.495 -15.736 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.418 -17.730 1.558 1.00 0.00 H new ATOM 0 HH TYR A 33 4.638 -15.250 0.827 1.00 0.00 H new ATOM 515 N ASN A 34 -1.695 -17.042 -5.100 1.00 0.00 N ATOM 516 CA ASN A 34 -2.845 -17.526 -5.916 1.00 0.00 C ATOM 517 C ASN A 34 -2.950 -19.047 -5.800 1.00 0.00 C ATOM 518 O ASN A 34 -3.807 -19.567 -5.118 1.00 0.00 O ATOM 519 CB ASN A 34 -2.644 -17.131 -7.384 1.00 0.00 C ATOM 520 CG ASN A 34 -2.088 -15.709 -7.461 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.526 -14.832 -6.745 1.00 0.00 O ATOM 522 ND2 ASN A 34 -1.133 -15.444 -8.310 1.00 0.00 N ATOM 0 H ASN A 34 -1.115 -16.332 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.764 -17.071 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.959 -17.827 -7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.591 -17.192 -7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.754 -14.499 -8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.766 -16.182 -8.911 1.00 0.00 H new ATOM 529 N ASN A 35 -2.088 -19.763 -6.461 1.00 0.00 N ATOM 530 CA ASN A 35 -2.137 -21.250 -6.389 1.00 0.00 C ATOM 531 C ASN A 35 -1.432 -21.720 -5.112 1.00 0.00 C ATOM 532 O ASN A 35 -0.521 -21.079 -4.629 1.00 0.00 O ATOM 533 CB ASN A 35 -1.447 -21.826 -7.630 1.00 0.00 C ATOM 534 CG ASN A 35 -1.073 -23.291 -7.409 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.244 -23.601 -6.577 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.654 -24.213 -8.131 1.00 0.00 N ATOM 0 H ASN A 35 -1.348 -19.383 -7.051 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.170 -21.596 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.108 -21.740 -8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.552 -21.247 -7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.411 -25.195 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.350 -23.951 -8.829 1.00 0.00 H new ATOM 543 N PRO A 36 -1.865 -22.864 -4.554 1.00 0.00 N ATOM 544 CA PRO A 36 -1.276 -23.422 -3.327 1.00 0.00 C ATOM 545 C PRO A 36 0.196 -23.793 -3.518 1.00 0.00 C ATOM 546 O PRO A 36 1.055 -23.340 -2.787 1.00 0.00 O ATOM 547 CB PRO A 36 -2.121 -24.672 -3.063 1.00 0.00 C ATOM 548 CG PRO A 36 -2.673 -25.026 -4.400 1.00 0.00 C ATOM 549 CD PRO A 36 -2.955 -23.712 -5.067 1.00 0.00 C ATOM 0 HA PRO A 36 -1.287 -22.710 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.517 -25.482 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.915 -24.472 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.961 -25.616 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.580 -25.623 -4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.931 -23.793 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.936 -23.321 -4.798 1.00 0.00 H new ATOM 557 N CYS A 37 0.505 -24.595 -4.500 1.00 0.00 N ATOM 558 CA CYS A 37 1.928 -24.959 -4.727 1.00 0.00 C ATOM 559 C CYS A 37 2.718 -23.670 -4.962 1.00 0.00 C ATOM 560 O CYS A 37 3.883 -23.571 -4.634 1.00 0.00 O ATOM 561 CB CYS A 37 2.028 -25.868 -5.956 1.00 0.00 C ATOM 562 SG CYS A 37 3.740 -25.936 -6.544 1.00 0.00 S ATOM 0 H CYS A 37 -0.163 -25.010 -5.150 1.00 0.00 H new ATOM 0 HA CYS A 37 2.332 -25.490 -3.865 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.682 -26.871 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.378 -25.495 -6.748 1.00 0.00 H new ATOM 567 N MET A 38 2.079 -22.677 -5.523 1.00 0.00 N ATOM 568 CA MET A 38 2.776 -21.387 -5.775 1.00 0.00 C ATOM 569 C MET A 38 3.267 -20.821 -4.445 1.00 0.00 C ATOM 570 O MET A 38 4.175 -20.014 -4.398 1.00 0.00 O ATOM 571 CB MET A 38 1.805 -20.403 -6.429 1.00 0.00 C ATOM 572 CG MET A 38 2.041 -20.384 -7.940 1.00 0.00 C ATOM 573 SD MET A 38 0.918 -19.195 -8.713 1.00 0.00 S ATOM 574 CE MET A 38 0.582 -20.145 -10.216 1.00 0.00 C ATOM 0 H MET A 38 1.103 -22.706 -5.817 1.00 0.00 H new ATOM 0 HA MET A 38 3.625 -21.547 -6.440 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.776 -20.693 -6.214 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.948 -19.405 -6.015 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.075 -20.115 -8.154 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.878 -21.378 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.448 -19.463 -11.055 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.420 -20.811 -10.420 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.325 -20.734 -10.079 1.00 0.00 H new ATOM 584 N LEU A 39 2.682 -21.249 -3.358 1.00 0.00 N ATOM 585 CA LEU A 39 3.129 -20.745 -2.033 1.00 0.00 C ATOM 586 C LEU A 39 4.546 -21.254 -1.778 1.00 0.00 C ATOM 587 O LEU A 39 5.453 -20.491 -1.515 1.00 0.00 O ATOM 588 CB LEU A 39 2.192 -21.260 -0.940 1.00 0.00 C ATOM 589 CG LEU A 39 2.688 -20.768 0.422 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.493 -20.417 1.311 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.509 -21.869 1.092 1.00 0.00 C ATOM 0 H LEU A 39 1.917 -21.923 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 39 3.113 -19.655 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.176 -20.907 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.159 -22.349 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 39 3.307 -19.882 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.850 -20.067 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.905 -19.632 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.872 -21.302 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.863 -21.520 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.887 -22.754 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.363 -22.120 0.463 1.00 0.00 H new ATOM 603 N CYS A 40 4.746 -22.540 -1.878 1.00 0.00 N ATOM 604 CA CYS A 40 6.109 -23.095 -1.667 1.00 0.00 C ATOM 605 C CYS A 40 7.092 -22.289 -2.514 1.00 0.00 C ATOM 606 O CYS A 40 8.250 -22.145 -2.180 1.00 0.00 O ATOM 607 CB CYS A 40 6.138 -24.560 -2.093 1.00 0.00 C ATOM 608 SG CYS A 40 7.664 -25.315 -1.496 1.00 0.00 S ATOM 0 H CYS A 40 4.025 -23.227 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 40 6.383 -23.031 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.274 -25.087 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.079 -24.638 -3.179 1.00 0.00 H new ATOM 613 N HIS A 41 6.630 -21.747 -3.606 1.00 0.00 N ATOM 614 CA HIS A 41 7.527 -20.932 -4.467 1.00 0.00 C ATOM 615 C HIS A 41 8.094 -19.786 -3.633 1.00 0.00 C ATOM 616 O HIS A 41 9.291 -19.599 -3.544 1.00 0.00 O ATOM 617 CB HIS A 41 6.722 -20.369 -5.636 1.00 0.00 C ATOM 618 CG HIS A 41 7.640 -20.096 -6.797 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.324 -21.109 -7.450 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.992 -18.933 -7.434 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.047 -20.541 -8.432 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.881 -19.216 -8.467 1.00 0.00 N ATOM 0 H HIS A 41 5.670 -21.834 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 41 8.341 -21.545 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.947 -21.076 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.218 -19.451 -5.335 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.286 -22.104 -7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.634 -17.948 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.684 -21.090 -9.110 1.00 0.00 H new ATOM 630 N GLU A 42 7.238 -19.026 -3.005 1.00 0.00 N ATOM 631 CA GLU A 42 7.722 -17.902 -2.160 1.00 0.00 C ATOM 632 C GLU A 42 8.729 -18.449 -1.149 1.00 0.00 C ATOM 633 O GLU A 42 9.539 -17.723 -0.607 1.00 0.00 O ATOM 634 CB GLU A 42 6.538 -17.280 -1.417 1.00 0.00 C ATOM 635 CG GLU A 42 6.842 -15.814 -1.098 1.00 0.00 C ATOM 636 CD GLU A 42 7.108 -15.052 -2.399 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.521 -15.414 -3.405 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.894 -14.119 -2.366 1.00 0.00 O ATOM 0 H GLU A 42 6.225 -19.137 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 42 8.195 -17.142 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.637 -17.350 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.344 -17.830 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.003 -15.365 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.709 -15.746 -0.441 1.00 0.00 H new ATOM 645 N ASN A 43 8.690 -19.731 -0.899 1.00 0.00 N ATOM 646 CA ASN A 43 9.653 -20.327 0.070 1.00 0.00 C ATOM 647 C ASN A 43 10.993 -20.543 -0.637 1.00 0.00 C ATOM 648 O ASN A 43 12.047 -20.427 -0.044 1.00 0.00 O ATOM 649 CB ASN A 43 9.125 -21.674 0.580 1.00 0.00 C ATOM 650 CG ASN A 43 7.822 -21.465 1.359 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.794 -21.614 2.564 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.733 -21.131 0.721 1.00 0.00 N ATOM 0 H ASN A 43 8.035 -20.388 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 43 9.778 -19.653 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.953 -22.348 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.869 -22.147 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.862 -20.996 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.753 -21.005 -0.291 1.00 0.00 H new ATOM 659 N LEU A 44 10.957 -20.851 -1.905 1.00 0.00 N ATOM 660 CA LEU A 44 12.225 -21.070 -2.658 1.00 0.00 C ATOM 661 C LEU A 44 12.912 -19.724 -2.896 1.00 0.00 C ATOM 662 O LEU A 44 14.119 -19.609 -2.816 1.00 0.00 O ATOM 663 CB LEU A 44 11.906 -21.725 -4.005 1.00 0.00 C ATOM 664 CG LEU A 44 13.208 -22.038 -4.747 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.192 -22.720 -3.793 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.913 -22.969 -5.925 1.00 0.00 C ATOM 0 H LEU A 44 10.103 -20.961 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 44 12.886 -21.719 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.336 -22.641 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.284 -21.061 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 44 13.645 -21.110 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.118 -22.942 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.404 -22.057 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.755 -23.647 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.840 -23.192 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.474 -23.896 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.215 -22.483 -6.607 1.00 0.00 H new ATOM 678 N ILE A 45 12.153 -18.704 -3.193 1.00 0.00 N ATOM 679 CA ILE A 45 12.761 -17.366 -3.439 1.00 0.00 C ATOM 680 C ILE A 45 13.068 -16.686 -2.102 1.00 0.00 C ATOM 681 O ILE A 45 14.139 -16.148 -1.901 1.00 0.00 O ATOM 682 CB ILE A 45 11.784 -16.498 -4.239 1.00 0.00 C ATOM 683 CG1 ILE A 45 10.936 -17.390 -5.155 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.575 -15.495 -5.085 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.232 -16.531 -6.208 1.00 0.00 C ATOM 0 H ILE A 45 11.137 -18.740 -3.276 1.00 0.00 H new ATOM 0 HA ILE A 45 13.685 -17.489 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 45 11.128 -15.960 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.568 -18.133 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.199 -17.936 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.883 -14.875 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.175 -14.862 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.230 -16.033 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.631 -17.169 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.586 -15.806 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.977 -16.005 -6.806 1.00 0.00 H new ATOM 697 N ARG A 46 12.137 -16.702 -1.187 1.00 0.00 N ATOM 698 CA ARG A 46 12.378 -16.053 0.133 1.00 0.00 C ATOM 699 C ARG A 46 13.203 -16.989 1.021 1.00 0.00 C ATOM 700 O ARG A 46 14.013 -16.553 1.815 1.00 0.00 O ATOM 701 CB ARG A 46 11.037 -15.760 0.810 1.00 0.00 C ATOM 702 CG ARG A 46 10.196 -14.856 -0.094 1.00 0.00 C ATOM 703 CD ARG A 46 10.813 -13.457 -0.135 1.00 0.00 C ATOM 704 NE ARG A 46 9.866 -12.515 -0.794 1.00 0.00 N ATOM 705 CZ ARG A 46 10.258 -11.799 -1.812 1.00 0.00 C ATOM 706 NH1 ARG A 46 10.819 -12.378 -2.839 1.00 0.00 N ATOM 707 NH2 ARG A 46 10.092 -10.504 -1.804 1.00 0.00 N ATOM 0 H ARG A 46 11.221 -17.136 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 46 12.922 -15.120 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.506 -16.691 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.202 -15.277 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.148 -15.273 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.173 -14.803 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.036 -13.117 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.757 -13.480 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 46 8.910 -12.429 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.951 -13.389 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.126 -11.819 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.655 -10.051 -1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.399 -9.946 -2.600 1.00 0.00 H new ATOM 721 N GLN A 47 13.004 -18.271 0.893 1.00 0.00 N ATOM 722 CA GLN A 47 13.774 -19.234 1.729 1.00 0.00 C ATOM 723 C GLN A 47 13.513 -18.948 3.209 1.00 0.00 C ATOM 724 O GLN A 47 14.369 -19.144 4.050 1.00 0.00 O ATOM 725 CB GLN A 47 15.269 -19.081 1.439 1.00 0.00 C ATOM 726 CG GLN A 47 15.536 -19.354 -0.043 1.00 0.00 C ATOM 727 CD GLN A 47 17.018 -19.123 -0.345 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.723 -18.522 0.442 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.524 -19.578 -1.458 1.00 0.00 N ATOM 0 H GLN A 47 12.340 -18.694 0.244 1.00 0.00 H new ATOM 0 HA GLN A 47 13.459 -20.250 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.599 -18.075 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.842 -19.774 2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.259 -20.379 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.922 -18.699 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.933 -20.082 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.511 -19.429 -1.668 1.00 0.00 H new ATOM 738 N THR A 48 12.338 -18.486 3.537 1.00 0.00 N ATOM 739 CA THR A 48 12.027 -18.188 4.964 1.00 0.00 C ATOM 740 C THR A 48 11.120 -19.282 5.532 1.00 0.00 C ATOM 741 O THR A 48 10.647 -19.190 6.648 1.00 0.00 O ATOM 742 CB THR A 48 11.318 -16.835 5.061 1.00 0.00 C ATOM 743 OG1 THR A 48 10.107 -16.883 4.320 1.00 0.00 O ATOM 744 CG2 THR A 48 12.224 -15.742 4.494 1.00 0.00 C ATOM 0 H THR A 48 11.580 -18.302 2.880 1.00 0.00 H new ATOM 0 HA THR A 48 12.954 -18.154 5.536 1.00 0.00 H new ATOM 0 HB THR A 48 11.096 -16.614 6.105 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.402 -16.414 4.814 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.719 -14.779 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.152 -15.707 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.448 -15.960 3.450 1.00 0.00 H new ATOM 752 N ASN A 49 10.875 -20.316 4.775 1.00 0.00 N ATOM 753 CA ASN A 49 10.000 -21.415 5.274 1.00 0.00 C ATOM 754 C ASN A 49 8.589 -20.876 5.524 1.00 0.00 C ATOM 755 O ASN A 49 8.031 -21.040 6.590 1.00 0.00 O ATOM 756 CB ASN A 49 10.574 -21.970 6.580 1.00 0.00 C ATOM 757 CG ASN A 49 11.971 -22.536 6.322 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.333 -22.803 5.193 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.779 -22.731 7.328 1.00 0.00 N ATOM 0 H ASN A 49 11.243 -20.448 3.833 1.00 0.00 H new ATOM 0 HA ASN A 49 9.956 -22.209 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.622 -21.183 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.921 -22.749 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.713 -23.107 7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.476 -22.507 8.276 1.00 0.00 H new ATOM 766 N THR A 50 8.008 -20.238 4.546 1.00 0.00 N ATOM 767 CA THR A 50 6.632 -19.693 4.724 1.00 0.00 C ATOM 768 C THR A 50 5.615 -20.826 4.577 1.00 0.00 C ATOM 769 O THR A 50 5.773 -21.712 3.761 1.00 0.00 O ATOM 770 CB THR A 50 6.365 -18.628 3.658 1.00 0.00 C ATOM 771 OG1 THR A 50 7.321 -17.584 3.784 1.00 0.00 O ATOM 772 CG2 THR A 50 4.956 -18.058 3.844 1.00 0.00 C ATOM 0 H THR A 50 8.426 -20.070 3.631 1.00 0.00 H new ATOM 0 HA THR A 50 6.541 -19.247 5.715 1.00 0.00 H new ATOM 0 HB THR A 50 6.445 -19.077 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.384 -17.310 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.767 -17.300 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.224 -18.859 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.873 -17.609 4.834 1.00 0.00 H new ATOM 780 N HIS A 51 4.571 -20.806 5.360 1.00 0.00 N ATOM 781 CA HIS A 51 3.547 -21.884 5.261 1.00 0.00 C ATOM 782 C HIS A 51 2.190 -21.270 4.913 1.00 0.00 C ATOM 783 O HIS A 51 2.085 -20.097 4.616 1.00 0.00 O ATOM 784 CB HIS A 51 3.439 -22.614 6.601 1.00 0.00 C ATOM 785 CG HIS A 51 4.808 -23.037 7.056 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.685 -22.161 7.680 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.467 -24.239 6.986 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.811 -22.844 7.958 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.731 -24.116 7.555 1.00 0.00 N ATOM 0 H HIS A 51 4.383 -20.091 6.063 1.00 0.00 H new ATOM 0 HA HIS A 51 3.841 -22.589 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.982 -21.962 7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.792 -23.486 6.501 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.508 -21.179 7.890 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.065 -25.144 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.674 -22.416 8.447 1.00 0.00 H new ATOM 797 N ILE A 52 1.149 -22.055 4.951 1.00 0.00 N ATOM 798 CA ILE A 52 -0.201 -21.521 4.627 1.00 0.00 C ATOM 799 C ILE A 52 -0.885 -21.051 5.912 1.00 0.00 C ATOM 800 O ILE A 52 -1.048 -21.800 6.855 1.00 0.00 O ATOM 801 CB ILE A 52 -1.042 -22.620 3.974 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.362 -23.082 2.681 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.434 -22.070 3.655 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.337 -23.932 1.864 1.00 0.00 C ATOM 0 H ILE A 52 1.177 -23.045 5.193 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.104 -20.681 3.939 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.133 -23.466 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.040 -22.219 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.532 -23.660 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.036 -22.851 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.915 -21.741 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.344 -21.226 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.852 -24.260 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.637 -24.803 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.218 -23.340 1.618 1.00 0.00 H new ATOM 816 N ARG A 53 -1.285 -19.813 5.954 1.00 0.00 N ATOM 817 CA ARG A 53 -1.959 -19.276 7.167 1.00 0.00 C ATOM 818 C ARG A 53 -3.419 -19.718 7.174 1.00 0.00 C ATOM 819 O ARG A 53 -3.920 -20.238 8.152 1.00 0.00 O ATOM 820 CB ARG A 53 -1.908 -17.749 7.137 1.00 0.00 C ATOM 821 CG ARG A 53 -2.525 -17.196 8.420 1.00 0.00 C ATOM 822 CD ARG A 53 -2.237 -15.697 8.520 1.00 0.00 C ATOM 823 NE ARG A 53 -2.912 -15.143 9.728 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.929 -13.854 9.933 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.939 -13.032 8.920 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.935 -13.388 11.151 1.00 0.00 N ATOM 0 H ARG A 53 -1.173 -19.143 5.193 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.454 -19.650 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.876 -17.410 7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.449 -17.373 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.601 -17.371 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.114 -17.715 9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.162 -15.525 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.593 -15.187 7.625 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.361 -15.771 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.934 -13.397 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.952 -12.025 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.926 -14.031 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.948 -12.381 11.312 1.00 0.00 H new ATOM 840 N SER A 54 -4.105 -19.505 6.092 1.00 0.00 N ATOM 841 CA SER A 54 -5.537 -19.898 6.028 1.00 0.00 C ATOM 842 C SER A 54 -5.959 -20.038 4.565 1.00 0.00 C ATOM 843 O SER A 54 -5.581 -19.249 3.722 1.00 0.00 O ATOM 844 CB SER A 54 -6.382 -18.819 6.705 1.00 0.00 C ATOM 845 OG SER A 54 -6.129 -18.825 8.102 1.00 0.00 O ATOM 0 H SER A 54 -3.735 -19.074 5.245 1.00 0.00 H new ATOM 0 HA SER A 54 -5.683 -20.850 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.145 -17.841 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.440 -18.999 6.516 1.00 0.00 H new ATOM 0 HG SER A 54 -5.579 -19.603 8.331 1.00 0.00 H new ATOM 851 N THR A 55 -6.737 -21.038 4.254 1.00 0.00 N ATOM 852 CA THR A 55 -7.176 -21.222 2.845 1.00 0.00 C ATOM 853 C THR A 55 -7.813 -19.928 2.338 1.00 0.00 C ATOM 854 O THR A 55 -8.452 -19.205 3.078 1.00 0.00 O ATOM 855 CB THR A 55 -8.196 -22.361 2.767 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.466 -21.887 3.193 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.750 -23.512 3.668 1.00 0.00 C ATOM 0 H THR A 55 -7.086 -21.733 4.914 1.00 0.00 H new ATOM 0 HA THR A 55 -6.313 -21.470 2.226 1.00 0.00 H new ATOM 0 HB THR A 55 -8.266 -22.716 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.121 -22.615 3.142 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.478 -24.322 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.776 -23.875 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.678 -23.161 4.697 1.00 0.00 H new ATOM 865 N GLY A 56 -7.641 -19.628 1.081 1.00 0.00 N ATOM 866 CA GLY A 56 -8.229 -18.381 0.521 1.00 0.00 C ATOM 867 C GLY A 56 -7.189 -17.265 0.567 1.00 0.00 C ATOM 868 O GLY A 56 -6.201 -17.347 1.269 1.00 0.00 O ATOM 0 H GLY A 56 -7.116 -20.196 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.554 -18.548 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.112 -18.094 1.092 1.00 0.00 H new ATOM 872 N LYS A 57 -7.407 -16.222 -0.179 1.00 0.00 N ATOM 873 CA LYS A 57 -6.436 -15.092 -0.187 1.00 0.00 C ATOM 874 C LYS A 57 -6.440 -14.405 1.179 1.00 0.00 C ATOM 875 O LYS A 57 -7.439 -14.380 1.871 1.00 0.00 O ATOM 876 CB LYS A 57 -6.834 -14.082 -1.265 1.00 0.00 C ATOM 877 CG LYS A 57 -6.736 -14.742 -2.643 1.00 0.00 C ATOM 878 CD LYS A 57 -6.709 -13.660 -3.725 1.00 0.00 C ATOM 879 CE LYS A 57 -6.684 -14.320 -5.105 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.934 -15.108 -5.300 1.00 0.00 N ATOM 0 H LYS A 57 -8.218 -16.101 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.438 -15.475 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.850 -13.729 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.182 -13.210 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.836 -15.353 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.584 -15.408 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.584 -13.017 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.832 -13.025 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.595 -13.561 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.814 -14.970 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.692 -16.081 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.476 -15.124 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.508 -14.670 -6.049 1.00 0.00 H new ATOM 894 N CYS A 58 -5.330 -13.845 1.573 1.00 0.00 N ATOM 895 CA CYS A 58 -5.270 -13.160 2.894 1.00 0.00 C ATOM 896 C CYS A 58 -6.303 -12.033 2.929 1.00 0.00 C ATOM 897 O CYS A 58 -6.591 -11.410 1.925 1.00 0.00 O ATOM 898 CB CYS A 58 -3.871 -12.576 3.102 1.00 0.00 C ATOM 899 SG CYS A 58 -2.656 -13.917 3.144 1.00 0.00 S ATOM 0 H CYS A 58 -4.462 -13.832 1.037 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.486 -13.877 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.633 -11.880 2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.836 -12.010 4.033 1.00 0.00 H new ATOM 904 N GLU A 59 -6.865 -11.766 4.075 1.00 0.00 N ATOM 905 CA GLU A 59 -7.879 -10.681 4.171 1.00 0.00 C ATOM 906 C GLU A 59 -7.693 -9.922 5.486 1.00 0.00 C ATOM 907 O GLU A 59 -7.858 -10.533 6.529 1.00 0.00 O ATOM 908 CB GLU A 59 -9.281 -11.291 4.128 1.00 0.00 C ATOM 909 CG GLU A 59 -10.319 -10.176 3.989 1.00 0.00 C ATOM 910 CD GLU A 59 -11.724 -10.776 4.053 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.824 -11.982 4.204 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.675 -10.019 3.950 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.387 -8.742 5.427 1.00 0.00 O ATOM 0 H GLU A 59 -6.665 -12.253 4.949 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.755 -9.993 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.362 -11.984 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.467 -11.865 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.189 -9.442 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.179 -9.650 3.044 1.00 0.00 H new