USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 839 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 47 GLN :FLIP amide:sc= -2.26 F(o=-3.6!,f=-2.2) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 161:sc= 0.0495 (180deg=-0.308) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -27:sc= 1.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= 0.597 (180deg=-2.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.022) USER MOD Single : A 75 ASN : amide:sc= -3.84! C(o=-3.8!,f=-8.9!) USER MOD Single : A 82 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.88) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-5.1!) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= -1.59! (180deg=-1.77!) USER MOD Single : A 97 HIS : no HD1:sc= -0.0624 K(o=-0.062,f=-2.3!) USER MOD Single : A 99 MET CE :methyl 156:sc= -0.0948 (180deg=-0.746) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 -19.997 -20.084 3.362 1.00 0.00 N ATOM 2 CA LYS A 15 -19.064 -19.167 2.642 1.00 0.00 C ATOM 3 C LYS A 15 -19.573 -18.926 1.224 1.00 0.00 C ATOM 4 O LYS A 15 -19.319 -17.875 0.640 1.00 0.00 O ATOM 5 CB LYS A 15 -17.663 -19.784 2.603 1.00 0.00 C ATOM 6 CG LYS A 15 -16.675 -18.803 1.964 1.00 0.00 C ATOM 7 CD LYS A 15 -15.265 -19.401 1.980 1.00 0.00 C ATOM 8 CE LYS A 15 -14.274 -18.411 1.360 1.00 0.00 C ATOM 9 NZ LYS A 15 -12.903 -18.992 1.397 1.00 0.00 N ATOM 0 HA LYS A 15 -19.016 -18.213 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.338 -20.033 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.682 -20.715 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.976 -18.586 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.685 -17.858 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.970 -19.632 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.252 -20.339 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.559 -18.190 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.296 -17.468 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.230 -18.320 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.633 -19.181 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.888 -19.881 0.857 1.00 0.00 H new ATOM 23 N GLU A 16 -20.322 -19.885 0.692 1.00 0.00 N ATOM 24 CA GLU A 16 -20.985 -19.700 -0.597 1.00 0.00 C ATOM 25 C GLU A 16 -22.062 -18.619 -0.496 1.00 0.00 C ATOM 26 O GLU A 16 -22.243 -17.831 -1.422 1.00 0.00 O ATOM 27 CB GLU A 16 -21.601 -21.025 -1.063 1.00 0.00 C ATOM 28 CG GLU A 16 -20.477 -22.019 -1.387 1.00 0.00 C ATOM 29 CD GLU A 16 -21.019 -23.394 -1.785 1.00 0.00 C ATOM 30 OE1 GLU A 16 -22.228 -23.566 -1.834 1.00 0.00 O ATOM 31 OE2 GLU A 16 -20.205 -24.276 -2.007 1.00 0.00 O ATOM 0 H GLU A 16 -20.486 -20.793 1.128 1.00 0.00 H new ATOM 0 HA GLU A 16 -20.244 -19.378 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -22.249 -21.431 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -22.222 -20.861 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.866 -21.622 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.826 -22.124 -0.519 1.00 0.00 H new ATOM 38 N ARG A 17 -22.768 -18.589 0.636 1.00 0.00 N ATOM 39 CA ARG A 17 -23.913 -17.694 0.799 1.00 0.00 C ATOM 40 C ARG A 17 -23.490 -16.229 0.718 1.00 0.00 C ATOM 41 O ARG A 17 -24.202 -15.392 0.172 1.00 0.00 O ATOM 42 CB ARG A 17 -24.468 -17.871 2.214 1.00 0.00 C ATOM 43 CG ARG A 17 -25.163 -19.220 2.415 1.00 0.00 C ATOM 44 CD ARG A 17 -25.598 -19.279 3.884 1.00 0.00 C ATOM 45 NE ARG A 17 -26.293 -20.518 4.220 1.00 0.00 N ATOM 46 CZ ARG A 17 -26.622 -20.795 5.482 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.256 -20.000 6.451 1.00 0.00 N ATOM 48 NH2 ARG A 17 -27.118 -21.965 5.781 1.00 0.00 N ATOM 0 H ARG A 17 -22.568 -19.171 1.449 1.00 0.00 H new ATOM 0 HA ARG A 17 -24.632 -17.933 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.654 -17.776 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -25.175 -17.068 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -26.024 -19.314 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.487 -20.042 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.720 -19.176 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -26.250 -18.432 4.099 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.530 -21.180 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.715 -19.160 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -26.511 -20.219 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -27.253 -22.664 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -27.371 -22.180 6.745 1.00 0.00 H new ATOM 62 N ILE A 18 -22.396 -15.928 1.413 1.00 0.00 N ATOM 63 CA ILE A 18 -21.829 -14.584 1.452 1.00 0.00 C ATOM 64 C ILE A 18 -21.224 -14.221 0.097 1.00 0.00 C ATOM 65 O ILE A 18 -21.160 -13.049 -0.274 1.00 0.00 O ATOM 66 CB ILE A 18 -20.860 -14.444 2.633 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.481 -12.970 2.821 1.00 0.00 C ATOM 68 CG2 ILE A 18 -19.605 -15.294 2.416 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.815 -12.763 4.185 1.00 0.00 C ATOM 0 H ILE A 18 -21.877 -16.611 1.966 1.00 0.00 H new ATOM 0 HA ILE A 18 -22.618 -13.853 1.630 1.00 0.00 H new ATOM 0 HB ILE A 18 -21.357 -14.804 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.803 -12.657 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.371 -12.346 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.935 -15.177 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.888 -16.342 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.098 -14.969 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.551 -11.712 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.506 -13.056 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.914 -13.373 4.246 1.00 0.00 H new ATOM 81 N ASP A 19 -20.590 -15.216 -0.516 1.00 0.00 N ATOM 82 CA ASP A 19 -19.803 -15.032 -1.731 1.00 0.00 C ATOM 83 C ASP A 19 -20.711 -14.542 -2.861 1.00 0.00 C ATOM 84 O ASP A 19 -20.369 -13.612 -3.587 1.00 0.00 O ATOM 85 CB ASP A 19 -19.151 -16.373 -2.099 1.00 0.00 C ATOM 86 CG ASP A 19 -18.261 -16.300 -3.342 1.00 0.00 C ATOM 87 OD1 ASP A 19 -18.226 -15.272 -4.000 1.00 0.00 O ATOM 88 OD2 ASP A 19 -17.636 -17.305 -3.641 1.00 0.00 O ATOM 0 H ASP A 19 -20.608 -16.179 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.025 -14.286 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.555 -16.721 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.933 -17.114 -2.265 1.00 0.00 H new ATOM 93 N ILE A 20 -21.930 -15.072 -2.896 1.00 0.00 N ATOM 94 CA ILE A 20 -22.937 -14.634 -3.861 1.00 0.00 C ATOM 95 C ILE A 20 -23.292 -13.164 -3.631 1.00 0.00 C ATOM 96 O ILE A 20 -23.320 -12.378 -4.574 1.00 0.00 O ATOM 97 CB ILE A 20 -24.187 -15.515 -3.747 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.871 -16.945 -4.205 1.00 0.00 C ATOM 99 CG2 ILE A 20 -25.328 -14.938 -4.592 1.00 0.00 C ATOM 100 CD1 ILE A 20 -23.437 -16.979 -5.675 1.00 0.00 C ATOM 0 H ILE A 20 -22.247 -15.808 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.529 -14.733 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 20 -24.499 -15.537 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.081 -17.362 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -24.750 -17.575 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -26.207 -15.575 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.569 -13.934 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.020 -14.893 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -23.221 -18.007 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -24.238 -16.585 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -22.543 -16.369 -5.805 1.00 0.00 H new ATOM 112 N LEU A 21 -23.465 -12.780 -2.370 1.00 0.00 N ATOM 113 CA LEU A 21 -23.790 -11.395 -2.034 1.00 0.00 C ATOM 114 C LEU A 21 -22.663 -10.460 -2.464 1.00 0.00 C ATOM 115 O LEU A 21 -22.921 -9.335 -2.892 1.00 0.00 O ATOM 116 CB LEU A 21 -24.053 -11.246 -0.529 1.00 0.00 C ATOM 117 CG LEU A 21 -25.488 -11.649 -0.157 1.00 0.00 C ATOM 118 CD1 LEU A 21 -26.435 -10.469 -0.391 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.962 -12.858 -0.967 1.00 0.00 C ATOM 0 H LEU A 21 -23.386 -13.404 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.697 -11.122 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -23.347 -11.863 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.877 -10.213 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.495 -11.926 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -27.451 -10.760 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -26.126 -9.626 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -26.403 -10.180 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.981 -13.114 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.937 -12.616 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.306 -13.706 -0.773 1.00 0.00 H new ATOM 131 N PHE A 22 -21.419 -10.886 -2.256 1.00 0.00 N ATOM 132 CA PHE A 22 -20.262 -10.095 -2.675 1.00 0.00 C ATOM 133 C PHE A 22 -20.254 -9.851 -4.181 1.00 0.00 C ATOM 134 O PHE A 22 -19.991 -8.733 -4.624 1.00 0.00 O ATOM 135 CB PHE A 22 -18.980 -10.831 -2.268 1.00 0.00 C ATOM 136 CG PHE A 22 -17.754 -10.070 -2.723 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.335 -8.919 -2.044 1.00 0.00 C ATOM 138 CD2 PHE A 22 -17.001 -10.552 -3.803 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.188 -8.238 -2.467 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.757 -9.980 -4.093 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.367 -8.797 -3.453 1.00 0.00 C ATOM 0 H PHE A 22 -21.186 -11.769 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.319 -9.124 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.955 -10.955 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.975 -11.830 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.896 -8.557 -1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.380 -11.362 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.936 -7.282 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.099 -10.450 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.436 -8.318 -3.719 1.00 0.00 H new ATOM 151 N SER A 23 -20.488 -10.896 -4.976 1.00 0.00 N ATOM 152 CA SER A 23 -20.512 -10.736 -6.431 1.00 0.00 C ATOM 153 C SER A 23 -21.639 -9.804 -6.860 1.00 0.00 C ATOM 154 O SER A 23 -21.494 -9.022 -7.797 1.00 0.00 O ATOM 155 CB SER A 23 -20.688 -12.091 -7.124 1.00 0.00 C ATOM 156 OG SER A 23 -21.900 -12.696 -6.701 1.00 0.00 O ATOM 0 H SER A 23 -20.661 -11.845 -4.646 1.00 0.00 H new ATOM 0 HA SER A 23 -19.558 -10.301 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.696 -11.958 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.845 -12.741 -6.889 1.00 0.00 H new ATOM 0 HG SER A 23 -22.125 -12.382 -5.800 1.00 0.00 H new ATOM 162 N LEU A 24 -22.784 -9.960 -6.200 1.00 0.00 N ATOM 163 CA LEU A 24 -23.939 -9.093 -6.429 1.00 0.00 C ATOM 164 C LEU A 24 -23.619 -7.651 -6.044 1.00 0.00 C ATOM 165 O LEU A 24 -23.937 -6.722 -6.779 1.00 0.00 O ATOM 166 CB LEU A 24 -25.137 -9.600 -5.614 1.00 0.00 C ATOM 167 CG LEU A 24 -25.629 -10.927 -6.198 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.642 -11.558 -5.244 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.297 -10.698 -7.557 1.00 0.00 C ATOM 0 H LEU A 24 -22.938 -10.683 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.186 -9.117 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.850 -9.734 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.940 -8.863 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.774 -11.590 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.993 -12.503 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.169 -11.739 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.488 -10.883 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.641 -11.651 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.147 -10.027 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.579 -10.253 -8.245 1.00 0.00 H new ATOM 181 N ALA A 25 -22.924 -7.494 -4.918 1.00 0.00 N ATOM 182 CA ALA A 25 -22.597 -6.172 -4.403 1.00 0.00 C ATOM 183 C ALA A 25 -21.705 -5.434 -5.396 1.00 0.00 C ATOM 184 O ALA A 25 -21.665 -4.208 -5.401 1.00 0.00 O ATOM 185 CB ALA A 25 -21.875 -6.286 -3.057 1.00 0.00 C ATOM 0 H ALA A 25 -22.579 -8.266 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.524 -5.616 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.638 -5.289 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.519 -6.796 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.954 -6.854 -3.185 1.00 0.00 H new ATOM 191 N GLU A 26 -20.797 -6.186 -6.011 1.00 0.00 N ATOM 192 CA GLU A 26 -19.901 -5.621 -7.011 1.00 0.00 C ATOM 193 C GLU A 26 -20.661 -5.178 -8.262 1.00 0.00 C ATOM 194 O GLU A 26 -20.158 -4.323 -8.987 1.00 0.00 O ATOM 195 CB GLU A 26 -18.823 -6.650 -7.373 1.00 0.00 C ATOM 196 CG GLU A 26 -17.812 -6.046 -8.356 1.00 0.00 C ATOM 197 CD GLU A 26 -16.693 -7.032 -8.685 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.876 -8.222 -8.484 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.717 -6.593 -9.268 1.00 0.00 O ATOM 0 H GLU A 26 -20.664 -7.182 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.429 -4.734 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.309 -6.980 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.287 -7.531 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.324 -5.756 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.385 -5.139 -7.929 1.00 0.00 H new ATOM 206 N ARG A 27 -21.625 -5.985 -8.709 1.00 0.00 N ATOM 207 CA ARG A 27 -22.439 -5.611 -9.868 1.00 0.00 C ATOM 208 C ARG A 27 -23.308 -4.379 -9.620 1.00 0.00 C ATOM 209 O ARG A 27 -23.385 -3.487 -10.468 1.00 0.00 O ATOM 210 CB ARG A 27 -23.355 -6.776 -10.265 1.00 0.00 C ATOM 211 CG ARG A 27 -24.145 -6.401 -11.527 1.00 0.00 C ATOM 212 CD ARG A 27 -25.095 -7.536 -11.916 1.00 0.00 C ATOM 213 NE ARG A 27 -25.726 -7.242 -13.199 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.808 -7.893 -13.616 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.380 -8.783 -12.851 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.357 -7.569 -14.753 1.00 0.00 N ATOM 0 H ARG A 27 -21.859 -6.887 -8.295 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.737 -5.371 -10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.762 -7.672 -10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.040 -7.007 -9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.712 -5.487 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.457 -6.196 -12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.546 -8.475 -11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.857 -7.663 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.325 -6.516 -13.793 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.997 -8.983 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.210 -9.278 -13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.957 -6.820 -15.318 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.187 -8.065 -15.078 1.00 0.00 H new ATOM 230 N VAL A 28 -23.954 -4.329 -8.457 1.00 0.00 N ATOM 231 CA VAL A 28 -24.784 -3.182 -8.097 1.00 0.00 C ATOM 232 C VAL A 28 -23.914 -1.939 -7.940 1.00 0.00 C ATOM 233 O VAL A 28 -24.390 -0.816 -8.080 1.00 0.00 O ATOM 234 CB VAL A 28 -25.596 -3.483 -6.829 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.659 -3.741 -5.649 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.525 -2.313 -6.486 1.00 0.00 C ATOM 0 H VAL A 28 -23.919 -5.065 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.499 -2.987 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.198 -4.371 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.248 -3.953 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.019 -4.594 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.041 -2.860 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.090 -2.549 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.931 -1.414 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.215 -2.142 -7.312 1.00 0.00 H new ATOM 246 N PHE A 29 -22.738 -2.166 -7.366 1.00 0.00 N ATOM 247 CA PHE A 29 -21.858 -1.090 -6.927 1.00 0.00 C ATOM 248 C PHE A 29 -21.677 -0.029 -8.018 1.00 0.00 C ATOM 249 O PHE A 29 -22.053 1.121 -7.803 1.00 0.00 O ATOM 250 CB PHE A 29 -20.536 -1.733 -6.482 1.00 0.00 C ATOM 251 CG PHE A 29 -19.368 -0.781 -6.548 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.424 0.405 -5.815 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.112 -1.302 -6.898 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.286 1.201 -5.719 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.954 -0.674 -6.432 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.033 0.625 -5.931 1.00 0.00 C ATOM 0 H PHE A 29 -22.368 -3.101 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.294 -0.550 -6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.642 -2.100 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.329 -2.598 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.341 0.702 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.042 -2.181 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.372 2.251 -5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.006 -1.190 -6.460 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.133 1.180 -5.709 1.00 0.00 H new ATOM 266 N PRO A 30 -21.170 -0.378 -9.217 1.00 0.00 N ATOM 267 CA PRO A 30 -21.159 0.567 -10.375 1.00 0.00 C ATOM 268 C PRO A 30 -22.543 1.014 -10.846 1.00 0.00 C ATOM 269 O PRO A 30 -22.687 2.121 -11.365 1.00 0.00 O ATOM 270 CB PRO A 30 -20.458 -0.227 -11.485 1.00 0.00 C ATOM 271 CG PRO A 30 -20.653 -1.662 -11.134 1.00 0.00 C ATOM 272 CD PRO A 30 -20.733 -1.727 -9.609 1.00 0.00 C ATOM 0 HA PRO A 30 -20.664 1.497 -10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.888 -0.000 -12.461 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.398 0.024 -11.537 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.564 -2.052 -11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.827 -2.268 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.441 -2.487 -9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.768 -1.977 -9.169 1.00 0.00 H new ATOM 280 N TYR A 31 -23.539 0.139 -10.722 1.00 0.00 N ATOM 281 CA TYR A 31 -24.885 0.455 -11.201 1.00 0.00 C ATOM 282 C TYR A 31 -25.478 1.648 -10.451 1.00 0.00 C ATOM 283 O TYR A 31 -25.799 2.673 -11.051 1.00 0.00 O ATOM 284 CB TYR A 31 -25.793 -0.768 -11.039 1.00 0.00 C ATOM 285 CG TYR A 31 -27.214 -0.430 -11.435 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.544 -0.233 -12.785 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.175 -0.200 -10.445 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.861 0.085 -13.142 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.495 0.107 -10.803 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.820 0.310 -12.150 1.00 0.00 C ATOM 291 OH TYR A 31 -31.108 0.660 -12.500 1.00 0.00 O ATOM 0 H TYR A 31 -23.443 -0.784 -10.299 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.816 0.722 -12.255 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.423 -1.587 -11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.769 -1.111 -10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.784 -0.326 -13.547 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.899 -0.259 -9.402 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -29.135 0.156 -14.184 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.258 0.187 -10.043 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.647 0.778 -11.690 1.00 0.00 H new ATOM 301 N SER A 32 -25.374 1.581 -9.130 1.00 0.00 N ATOM 302 CA SER A 32 -25.862 2.639 -8.249 1.00 0.00 C ATOM 303 C SER A 32 -25.280 2.429 -6.855 1.00 0.00 C ATOM 304 O SER A 32 -25.476 1.371 -6.260 1.00 0.00 O ATOM 305 CB SER A 32 -27.390 2.629 -8.172 1.00 0.00 C ATOM 306 OG SER A 32 -27.844 3.879 -7.672 1.00 0.00 O ATOM 0 H SER A 32 -24.950 0.794 -8.638 1.00 0.00 H new ATOM 0 HA SER A 32 -25.548 3.603 -8.650 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.814 2.444 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.727 1.821 -7.523 1.00 0.00 H new ATOM 0 HG SER A 32 -28.823 3.876 -7.623 1.00 0.00 H new ATOM 312 N PRO A 33 -24.508 3.389 -6.336 1.00 0.00 N ATOM 313 CA PRO A 33 -23.915 3.262 -4.973 1.00 0.00 C ATOM 314 C PRO A 33 -24.971 3.028 -3.893 1.00 0.00 C ATOM 315 O PRO A 33 -24.888 2.042 -3.166 1.00 0.00 O ATOM 316 CB PRO A 33 -23.178 4.590 -4.782 1.00 0.00 C ATOM 317 CG PRO A 33 -22.868 5.069 -6.159 1.00 0.00 C ATOM 318 CD PRO A 33 -24.022 4.592 -7.037 1.00 0.00 C ATOM 0 HA PRO A 33 -23.258 2.397 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.796 5.309 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.267 4.454 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.781 6.155 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.918 4.665 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.801 5.349 -7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.689 4.361 -8.049 1.00 0.00 H new ATOM 326 N GLU A 34 -26.120 3.680 -4.047 1.00 0.00 N ATOM 327 CA GLU A 34 -27.155 3.633 -3.016 1.00 0.00 C ATOM 328 C GLU A 34 -27.733 2.228 -2.864 1.00 0.00 C ATOM 329 O GLU A 34 -28.136 1.834 -1.773 1.00 0.00 O ATOM 330 CB GLU A 34 -28.285 4.598 -3.382 1.00 0.00 C ATOM 331 CG GLU A 34 -27.781 6.044 -3.290 1.00 0.00 C ATOM 332 CD GLU A 34 -28.851 7.045 -3.735 1.00 0.00 C ATOM 333 OE1 GLU A 34 -29.946 6.631 -4.089 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.540 8.225 -3.765 1.00 0.00 O ATOM 0 H GLU A 34 -26.357 4.241 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.697 3.921 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.641 4.390 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.131 4.454 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.483 6.261 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.893 6.160 -3.911 1.00 0.00 H new ATOM 341 N LEU A 35 -27.951 1.558 -3.994 1.00 0.00 N ATOM 342 CA LEU A 35 -28.366 0.157 -3.993 1.00 0.00 C ATOM 343 C LEU A 35 -27.301 -0.749 -3.379 1.00 0.00 C ATOM 344 O LEU A 35 -27.604 -1.631 -2.576 1.00 0.00 O ATOM 345 CB LEU A 35 -28.681 -0.307 -5.419 1.00 0.00 C ATOM 346 CG LEU A 35 -29.956 0.376 -5.923 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.130 0.095 -7.419 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.175 -0.155 -5.161 1.00 0.00 C ATOM 0 H LEU A 35 -27.847 1.964 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.264 0.084 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.847 -0.071 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.807 -1.390 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.872 1.450 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -31.037 0.581 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.270 0.484 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.206 -0.980 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.076 0.337 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.261 -1.231 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.057 0.050 -4.097 1.00 0.00 H new ATOM 360 N ALA A 36 -26.048 -0.473 -3.723 1.00 0.00 N ATOM 361 CA ALA A 36 -24.911 -1.196 -3.161 1.00 0.00 C ATOM 362 C ALA A 36 -24.855 -0.979 -1.654 1.00 0.00 C ATOM 363 O ALA A 36 -24.510 -1.882 -0.893 1.00 0.00 O ATOM 364 CB ALA A 36 -23.612 -0.716 -3.813 1.00 0.00 C ATOM 0 H ALA A 36 -25.792 0.252 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.030 -2.261 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.769 -1.260 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.656 -0.896 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.485 0.351 -3.629 1.00 0.00 H new ATOM 370 N LYS A 37 -25.225 0.229 -1.247 1.00 0.00 N ATOM 371 CA LYS A 37 -25.190 0.624 0.153 1.00 0.00 C ATOM 372 C LYS A 37 -26.101 -0.275 0.984 1.00 0.00 C ATOM 373 O LYS A 37 -25.635 -0.942 1.909 1.00 0.00 O ATOM 374 CB LYS A 37 -25.712 2.069 0.179 1.00 0.00 C ATOM 375 CG LYS A 37 -25.348 2.861 1.441 1.00 0.00 C ATOM 376 CD LYS A 37 -26.165 2.393 2.648 1.00 0.00 C ATOM 377 CE LYS A 37 -25.798 3.245 3.863 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.646 2.854 5.025 1.00 0.00 N ATOM 0 H LYS A 37 -25.557 0.959 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.187 0.541 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.321 2.598 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.797 2.050 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.285 2.744 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.524 3.923 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.231 2.479 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -25.965 1.341 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.744 3.111 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.941 4.301 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.999 3.709 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.451 2.286 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -26.081 2.294 5.695 1.00 0.00 H new ATOM 392 N ARG A 38 -27.315 -0.490 0.486 1.00 0.00 N ATOM 393 CA ARG A 38 -28.235 -1.430 1.120 1.00 0.00 C ATOM 394 C ARG A 38 -27.759 -2.883 1.040 1.00 0.00 C ATOM 395 O ARG A 38 -27.661 -3.564 2.065 1.00 0.00 O ATOM 396 CB ARG A 38 -29.594 -1.294 0.423 1.00 0.00 C ATOM 397 CG ARG A 38 -30.210 0.054 0.813 1.00 0.00 C ATOM 398 CD ARG A 38 -31.555 0.259 0.113 1.00 0.00 C ATOM 399 NE ARG A 38 -32.115 1.554 0.488 1.00 0.00 N ATOM 400 CZ ARG A 38 -32.931 1.706 1.528 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.086 0.745 2.395 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.345 2.903 1.838 1.00 0.00 N ATOM 0 H ARG A 38 -27.683 -0.031 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.297 -1.186 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.473 -1.356 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.253 -2.111 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.347 0.098 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.529 0.862 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.424 0.208 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.244 -0.539 0.389 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.871 2.373 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -32.580 -0.133 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -33.714 0.871 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -33.043 3.706 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -33.971 3.036 2.632 1.00 0.00 H new ATOM 416 N TYR A 39 -27.283 -3.284 -0.140 1.00 0.00 N ATOM 417 CA TYR A 39 -26.899 -4.677 -0.383 1.00 0.00 C ATOM 418 C TYR A 39 -25.722 -5.123 0.481 1.00 0.00 C ATOM 419 O TYR A 39 -25.631 -6.289 0.859 1.00 0.00 O ATOM 420 CB TYR A 39 -26.579 -4.889 -1.865 1.00 0.00 C ATOM 421 CG TYR A 39 -27.844 -5.135 -2.663 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.995 -4.353 -2.470 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.841 -6.114 -3.664 1.00 0.00 C ATOM 424 CE1 TYR A 39 -30.199 -4.740 -3.071 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.046 -6.519 -4.248 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.215 -5.793 -3.992 1.00 0.00 C ATOM 427 OH TYR A 39 -31.354 -6.044 -4.727 1.00 0.00 O ATOM 0 H TYR A 39 -27.154 -2.666 -0.941 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.752 -5.295 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -26.061 -4.014 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.903 -5.737 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.952 -3.461 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -26.909 -6.556 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -31.116 -4.225 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.074 -7.386 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.198 -6.808 -5.321 1.00 0.00 H new ATOM 437 N VAL A 40 -24.705 -4.270 0.537 1.00 0.00 N ATOM 438 CA VAL A 40 -23.483 -4.581 1.272 1.00 0.00 C ATOM 439 C VAL A 40 -23.748 -4.710 2.769 1.00 0.00 C ATOM 440 O VAL A 40 -23.082 -5.494 3.435 1.00 0.00 O ATOM 441 CB VAL A 40 -22.390 -3.549 0.980 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.218 -3.731 1.954 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.865 -3.748 -0.444 1.00 0.00 C ATOM 0 H VAL A 40 -24.702 -3.357 0.082 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.124 -5.550 0.926 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.815 -2.552 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.447 -2.992 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.571 -3.598 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.803 -4.733 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.087 -3.013 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.451 -4.752 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.682 -3.621 -1.154 1.00 0.00 H new ATOM 453 N GLU A 41 -24.533 -3.784 3.317 1.00 0.00 N ATOM 454 CA GLU A 41 -24.819 -3.786 4.750 1.00 0.00 C ATOM 455 C GLU A 41 -25.558 -5.065 5.120 1.00 0.00 C ATOM 456 O GLU A 41 -25.084 -5.809 5.975 1.00 0.00 O ATOM 457 CB GLU A 41 -25.641 -2.560 5.170 1.00 0.00 C ATOM 458 CG GLU A 41 -24.779 -1.300 5.040 1.00 0.00 C ATOM 459 CD GLU A 41 -25.556 -0.025 5.366 1.00 0.00 C ATOM 460 OE1 GLU A 41 -26.737 -0.109 5.664 1.00 0.00 O ATOM 461 OE2 GLU A 41 -24.885 0.965 5.600 1.00 0.00 O ATOM 0 H GLU A 41 -24.979 -3.029 2.796 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.870 -3.740 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.529 -2.472 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.985 -2.674 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.921 -1.380 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.388 -1.234 4.025 1.00 0.00 H new ATOM 468 N LEU A 42 -26.396 -5.512 4.190 1.00 0.00 N ATOM 469 CA LEU A 42 -26.978 -6.845 4.286 1.00 0.00 C ATOM 470 C LEU A 42 -25.908 -7.937 4.253 1.00 0.00 C ATOM 471 O LEU A 42 -25.802 -8.690 5.218 1.00 0.00 O ATOM 472 CB LEU A 42 -27.955 -7.019 3.116 1.00 0.00 C ATOM 473 CG LEU A 42 -28.516 -8.444 3.035 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.266 -8.822 4.316 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.470 -8.520 1.838 1.00 0.00 C ATOM 0 H LEU A 42 -26.684 -4.978 3.370 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.497 -6.943 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.778 -6.312 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.447 -6.777 2.182 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.690 -9.145 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.651 -9.838 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.586 -8.766 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.096 -8.132 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.880 -9.527 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -30.283 -7.806 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.927 -8.281 0.924 1.00 0.00 H new ATOM 487 N ALA A 43 -24.933 -7.814 3.352 1.00 0.00 N ATOM 488 CA ALA A 43 -23.827 -8.770 3.331 1.00 0.00 C ATOM 489 C ALA A 43 -22.968 -8.681 4.593 1.00 0.00 C ATOM 490 O ALA A 43 -22.386 -9.673 5.026 1.00 0.00 O ATOM 491 CB ALA A 43 -22.948 -8.514 2.101 1.00 0.00 C ATOM 0 H ALA A 43 -24.885 -7.081 2.644 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.258 -9.770 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -22.124 -9.228 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.545 -8.631 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.549 -7.500 2.143 1.00 0.00 H new ATOM 497 N LEU A 44 -22.681 -7.446 4.998 1.00 0.00 N ATOM 498 CA LEU A 44 -21.807 -7.173 6.137 1.00 0.00 C ATOM 499 C LEU A 44 -22.401 -7.684 7.449 1.00 0.00 C ATOM 500 O LEU A 44 -21.755 -8.427 8.181 1.00 0.00 O ATOM 501 CB LEU A 44 -21.512 -5.670 6.192 1.00 0.00 C ATOM 502 CG LEU A 44 -20.581 -5.326 7.362 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.279 -6.126 7.258 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.251 -3.831 7.309 1.00 0.00 C ATOM 0 H LEU A 44 -23.047 -6.607 4.547 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.871 -7.715 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.054 -5.353 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.446 -5.118 6.293 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.078 -5.575 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.628 -5.872 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.504 -7.192 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.777 -5.884 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.589 -3.575 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.757 -3.601 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.171 -3.252 7.388 1.00 0.00 H new ATOM 516 N LEU A 45 -23.703 -7.454 7.605 1.00 0.00 N ATOM 517 CA LEU A 45 -24.486 -8.018 8.703 1.00 0.00 C ATOM 518 C LEU A 45 -24.517 -9.541 8.638 1.00 0.00 C ATOM 519 O LEU A 45 -24.722 -10.191 9.664 1.00 0.00 O ATOM 520 CB LEU A 45 -25.910 -7.449 8.727 1.00 0.00 C ATOM 521 CG LEU A 45 -25.959 -6.102 9.463 1.00 0.00 C ATOM 522 CD1 LEU A 45 -25.130 -5.021 8.765 1.00 0.00 C ATOM 523 CD2 LEU A 45 -27.414 -5.637 9.559 1.00 0.00 C ATOM 0 H LEU A 45 -24.247 -6.869 6.971 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.993 -7.729 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.271 -7.322 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.579 -8.157 9.215 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.531 -6.253 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.200 -4.090 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.088 -5.337 8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.511 -4.865 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -27.457 -4.681 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.826 -5.522 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -27.997 -6.376 10.108 1.00 0.00 H new ATOM 535 N VAL A 46 -24.637 -10.065 7.424 1.00 0.00 N ATOM 536 CA VAL A 46 -24.610 -11.509 7.231 1.00 0.00 C ATOM 537 C VAL A 46 -23.269 -12.056 7.712 1.00 0.00 C ATOM 538 O VAL A 46 -23.254 -12.906 8.591 1.00 0.00 O ATOM 539 CB VAL A 46 -24.841 -11.867 5.757 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.569 -13.358 5.528 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.296 -11.566 5.376 1.00 0.00 C ATOM 0 H VAL A 46 -24.752 -9.520 6.569 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.414 -11.961 7.812 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.164 -11.274 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.736 -13.601 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.536 -13.584 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.241 -13.950 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.458 -11.821 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.965 -12.157 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.500 -10.506 5.527 1.00 0.00 H new ATOM 551 N GLN A 47 -22.174 -11.392 7.351 1.00 0.00 N ATOM 552 CA GLN A 47 -20.850 -11.943 7.630 1.00 0.00 C ATOM 553 C GLN A 47 -20.602 -12.107 9.126 1.00 0.00 C ATOM 554 O GLN A 47 -20.125 -13.154 9.555 1.00 0.00 O ATOM 555 CB GLN A 47 -19.778 -10.989 7.090 1.00 0.00 C ATOM 556 CG GLN A 47 -18.386 -11.582 7.326 1.00 0.00 C ATOM 557 CD GLN A 47 -17.312 -10.610 6.850 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.169 -11.085 6.445 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.404 -9.413 7.119 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.174 -10.490 6.874 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.801 -12.921 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.934 -10.818 6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.859 -10.020 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.249 -11.796 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.291 -12.529 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.294 -9.029 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.591 -8.805 7.024 1.00 0.00 H new ATOM 568 N GLN A 48 -20.940 -11.090 9.914 1.00 0.00 N ATOM 569 CA GLN A 48 -20.709 -11.167 11.353 1.00 0.00 C ATOM 570 C GLN A 48 -21.576 -12.258 11.984 1.00 0.00 C ATOM 571 O GLN A 48 -21.066 -13.212 12.568 1.00 0.00 O ATOM 572 CB GLN A 48 -21.013 -9.800 11.984 1.00 0.00 C ATOM 573 CG GLN A 48 -22.490 -9.434 11.796 1.00 0.00 C ATOM 574 CD GLN A 48 -22.793 -8.047 12.353 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.074 -7.091 12.078 1.00 0.00 O ATOM 576 NE2 GLN A 48 -23.853 -7.879 13.096 1.00 0.00 N ATOM 0 H GLN A 48 -21.365 -10.221 9.590 1.00 0.00 H new ATOM 0 HA GLN A 48 -19.666 -11.426 11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -20.771 -9.822 13.047 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -20.383 -9.036 11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.743 -9.466 10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.116 -10.173 12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.448 -8.676 13.323 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.086 -6.951 13.450 1.00 0.00 H new ATOM 585 N LYS A 49 -22.847 -12.232 11.600 1.00 0.00 N ATOM 586 CA LYS A 49 -23.854 -13.178 12.073 1.00 0.00 C ATOM 587 C LYS A 49 -23.561 -14.605 11.605 1.00 0.00 C ATOM 588 O LYS A 49 -23.685 -15.563 12.366 1.00 0.00 O ATOM 589 CB LYS A 49 -25.210 -12.666 11.574 1.00 0.00 C ATOM 590 CG LYS A 49 -26.378 -13.500 12.103 1.00 0.00 C ATOM 591 CD LYS A 49 -27.663 -12.839 11.600 1.00 0.00 C ATOM 592 CE LYS A 49 -28.903 -13.587 12.097 1.00 0.00 C ATOM 593 NZ LYS A 49 -30.122 -12.883 11.604 1.00 0.00 N ATOM 0 H LYS A 49 -23.213 -11.544 10.942 1.00 0.00 H new ATOM 0 HA LYS A 49 -23.850 -13.234 13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.339 -11.628 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.222 -12.679 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.309 -14.529 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.364 -13.536 13.192 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.699 -11.804 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.661 -12.817 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.891 -14.616 11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.907 -13.629 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.971 -13.384 11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.131 -11.908 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.116 -12.865 10.564 1.00 0.00 H new ATOM 607 N ALA A 50 -23.178 -14.711 10.336 1.00 0.00 N ATOM 608 CA ALA A 50 -22.766 -15.976 9.740 1.00 0.00 C ATOM 609 C ALA A 50 -21.364 -16.365 10.197 1.00 0.00 C ATOM 610 O ALA A 50 -20.885 -17.456 9.887 1.00 0.00 O ATOM 611 CB ALA A 50 -22.796 -15.853 8.213 1.00 0.00 C ATOM 0 H ALA A 50 -23.145 -13.921 9.692 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.458 -16.753 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -22.488 -16.798 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.807 -15.610 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -22.114 -15.063 7.898 1.00 0.00 H new ATOM 617 N LYS A 51 -20.670 -15.406 10.803 1.00 0.00 N ATOM 618 CA LYS A 51 -19.344 -15.645 11.359 1.00 0.00 C ATOM 619 C LYS A 51 -18.392 -16.198 10.299 1.00 0.00 C ATOM 620 O LYS A 51 -17.657 -17.151 10.551 1.00 0.00 O ATOM 621 CB LYS A 51 -19.444 -16.596 12.558 1.00 0.00 C ATOM 622 CG LYS A 51 -18.457 -16.149 13.642 1.00 0.00 C ATOM 623 CD LYS A 51 -18.643 -16.984 14.913 1.00 0.00 C ATOM 624 CE LYS A 51 -17.639 -16.525 15.976 1.00 0.00 C ATOM 625 NZ LYS A 51 -17.831 -17.326 17.220 1.00 0.00 N ATOM 0 H LYS A 51 -21.008 -14.451 10.921 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.935 -14.694 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.460 -16.596 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.222 -17.617 12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.435 -16.253 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.609 -15.093 13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.661 -16.875 15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.497 -18.041 14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.621 -16.646 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.777 -15.465 16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.150 -17.015 17.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.799 -17.189 17.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.678 -18.333 17.011 1.00 0.00 H new ATOM 639 N VAL A 52 -18.227 -15.442 9.216 1.00 0.00 N ATOM 640 CA VAL A 52 -17.504 -15.941 8.048 1.00 0.00 C ATOM 641 C VAL A 52 -16.179 -15.195 7.931 1.00 0.00 C ATOM 642 O VAL A 52 -16.153 -13.965 7.893 1.00 0.00 O ATOM 643 CB VAL A 52 -18.315 -15.720 6.762 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.800 -16.648 5.652 1.00 0.00 C ATOM 645 CG2 VAL A 52 -19.801 -15.997 7.012 1.00 0.00 C ATOM 0 H VAL A 52 -18.581 -14.490 9.122 1.00 0.00 H new ATOM 0 HA VAL A 52 -17.335 -17.010 8.174 1.00 0.00 H new ATOM 0 HB VAL A 52 -18.196 -14.682 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.380 -16.485 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.750 -16.432 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.904 -17.686 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -20.361 -15.836 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.929 -17.029 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -20.172 -15.323 7.785 1.00 0.00 H new ATOM 655 N LYS A 53 -15.096 -15.952 7.787 1.00 0.00 N ATOM 656 CA LYS A 53 -13.774 -15.349 7.696 1.00 0.00 C ATOM 657 C LYS A 53 -13.557 -14.787 6.295 1.00 0.00 C ATOM 658 O LYS A 53 -13.705 -15.498 5.303 1.00 0.00 O ATOM 659 CB LYS A 53 -12.679 -16.371 8.027 1.00 0.00 C ATOM 660 CG LYS A 53 -11.314 -15.677 8.010 1.00 0.00 C ATOM 661 CD LYS A 53 -10.214 -16.671 8.394 1.00 0.00 C ATOM 662 CE LYS A 53 -8.864 -15.951 8.395 1.00 0.00 C ATOM 663 NZ LYS A 53 -7.788 -16.904 8.787 1.00 0.00 N ATOM 0 H LYS A 53 -15.107 -16.970 7.732 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.715 -14.540 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.863 -16.813 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.695 -17.185 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.117 -15.269 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.315 -14.838 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.416 -17.093 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.196 -17.502 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.658 -15.542 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.889 -15.111 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.872 -16.412 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.982 -17.274 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.758 -17.692 8.109 1.00 0.00 H new ATOM 677 N ILE A 54 -13.046 -13.563 6.247 1.00 0.00 N ATOM 678 CA ILE A 54 -12.676 -12.946 4.981 1.00 0.00 C ATOM 679 C ILE A 54 -11.385 -12.154 5.165 1.00 0.00 C ATOM 680 O ILE A 54 -11.375 -11.166 5.898 1.00 0.00 O ATOM 681 CB ILE A 54 -13.816 -12.021 4.544 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.956 -12.861 3.948 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.302 -11.015 3.516 1.00 0.00 C ATOM 684 CD1 ILE A 54 -16.066 -11.968 3.389 1.00 0.00 C ATOM 0 H ILE A 54 -12.879 -12.980 7.067 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.511 -13.705 4.216 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.193 -11.473 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.565 -13.499 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.366 -13.519 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.117 -10.360 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.504 -10.419 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.917 -11.548 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.859 -12.590 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.472 -11.348 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.659 -11.329 2.606 1.00 0.00 H new ATOM 696 N PRO A 55 -10.253 -12.670 4.655 1.00 0.00 N ATOM 697 CA PRO A 55 -8.940 -11.971 4.791 1.00 0.00 C ATOM 698 C PRO A 55 -8.947 -10.547 4.241 1.00 0.00 C ATOM 699 O PRO A 55 -8.496 -9.622 4.913 1.00 0.00 O ATOM 700 CB PRO A 55 -7.980 -12.852 3.986 1.00 0.00 C ATOM 701 CG PRO A 55 -8.595 -14.210 3.990 1.00 0.00 C ATOM 702 CD PRO A 55 -10.106 -13.989 4.006 1.00 0.00 C ATOM 0 HA PRO A 55 -8.665 -11.853 5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.861 -12.477 2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.988 -12.868 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.293 -14.777 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.275 -14.780 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.523 -13.990 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.620 -14.771 4.564 1.00 0.00 H new ATOM 710 N ARG A 56 -9.562 -10.359 3.072 1.00 0.00 N ATOM 711 CA ARG A 56 -9.610 -9.034 2.455 1.00 0.00 C ATOM 712 C ARG A 56 -10.967 -8.699 1.832 1.00 0.00 C ATOM 713 O ARG A 56 -11.225 -7.535 1.532 1.00 0.00 O ATOM 714 CB ARG A 56 -8.464 -8.884 1.448 1.00 0.00 C ATOM 715 CG ARG A 56 -7.135 -8.864 2.214 1.00 0.00 C ATOM 716 CD ARG A 56 -5.949 -8.711 1.259 1.00 0.00 C ATOM 717 NE ARG A 56 -5.793 -9.895 0.420 1.00 0.00 N ATOM 718 CZ ARG A 56 -5.133 -10.976 0.834 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.682 -11.062 2.058 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.888 -11.943 -0.004 1.00 0.00 N ATOM 0 H ARG A 56 -10.027 -11.095 2.541 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.478 -8.302 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.477 -9.709 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.583 -7.965 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.137 -8.042 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.028 -9.785 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.096 -7.833 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.036 -8.544 1.831 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.203 -9.895 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.833 -10.294 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.179 -11.897 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.201 -11.870 -0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.383 -12.773 0.308 1.00 0.00 H new ATOM 734 N LYS A 57 -11.761 -9.714 1.492 1.00 0.00 N ATOM 735 CA LYS A 57 -12.801 -9.544 0.475 1.00 0.00 C ATOM 736 C LYS A 57 -13.867 -8.523 0.879 1.00 0.00 C ATOM 737 O LYS A 57 -14.503 -7.968 -0.011 1.00 0.00 O ATOM 738 CB LYS A 57 -13.500 -10.873 0.154 1.00 0.00 C ATOM 739 CG LYS A 57 -12.562 -11.842 -0.575 1.00 0.00 C ATOM 740 CD LYS A 57 -13.312 -13.151 -0.849 1.00 0.00 C ATOM 741 CE LYS A 57 -12.403 -14.136 -1.586 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.142 -15.409 -1.835 1.00 0.00 N ATOM 0 H LYS A 57 -11.707 -10.648 1.897 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.281 -9.173 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.852 -11.332 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.379 -10.683 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.219 -11.401 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.676 -12.035 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.649 -13.589 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.202 -12.951 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.073 -13.705 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.508 -14.333 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.523 -16.078 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.436 -15.823 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.983 -15.214 -2.415 1.00 0.00 H new ATOM 756 N TRP A 58 -14.328 -8.548 2.132 1.00 0.00 N ATOM 757 CA TRP A 58 -15.195 -7.458 2.576 1.00 0.00 C ATOM 758 C TRP A 58 -14.467 -6.423 3.428 1.00 0.00 C ATOM 759 O TRP A 58 -14.690 -5.227 3.254 1.00 0.00 O ATOM 760 CB TRP A 58 -16.398 -8.001 3.358 1.00 0.00 C ATOM 761 CG TRP A 58 -17.585 -8.091 2.450 1.00 0.00 C ATOM 762 CD1 TRP A 58 -18.099 -9.234 1.944 1.00 0.00 C ATOM 763 CD2 TRP A 58 -18.240 -7.003 1.732 1.00 0.00 C ATOM 764 NE1 TRP A 58 -19.183 -8.908 1.151 1.00 0.00 N ATOM 765 CE2 TRP A 58 -19.214 -7.560 0.863 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.908 -5.648 1.561 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.728 -6.821 -0.207 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.315 -4.958 0.411 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.146 -5.589 -0.524 1.00 0.00 C ATOM 0 H TRP A 58 -14.129 -9.270 2.824 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.535 -6.958 1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.165 -8.984 3.768 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.621 -7.348 4.202 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.727 -10.231 2.128 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.874 -9.581 0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.336 -5.136 2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.563 -7.196 -0.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.989 -3.942 0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.336 -5.128 -1.482 1.00 0.00 H new ATOM 780 N LYS A 59 -13.475 -6.876 4.193 1.00 0.00 N ATOM 781 CA LYS A 59 -12.786 -5.996 5.133 1.00 0.00 C ATOM 782 C LYS A 59 -12.034 -4.883 4.407 1.00 0.00 C ATOM 783 O LYS A 59 -11.948 -3.763 4.901 1.00 0.00 O ATOM 784 CB LYS A 59 -11.849 -6.802 6.035 1.00 0.00 C ATOM 785 CG LYS A 59 -12.682 -7.684 6.972 1.00 0.00 C ATOM 786 CD LYS A 59 -11.765 -8.505 7.884 1.00 0.00 C ATOM 787 CE LYS A 59 -12.605 -9.299 8.891 1.00 0.00 C ATOM 788 NZ LYS A 59 -13.498 -10.253 8.173 1.00 0.00 N ATOM 0 H LYS A 59 -13.134 -7.837 4.181 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.538 -5.520 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.185 -7.420 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.217 -6.130 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.344 -7.062 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.316 -8.350 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.158 -9.186 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.077 -7.845 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.951 -9.843 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.201 -8.617 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.816 -10.993 8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.324 -9.742 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.978 -10.690 7.386 1.00 0.00 H new ATOM 802 N ARG A 60 -11.367 -5.243 3.314 1.00 0.00 N ATOM 803 CA ARG A 60 -10.510 -4.296 2.606 1.00 0.00 C ATOM 804 C ARG A 60 -11.242 -3.652 1.433 1.00 0.00 C ATOM 805 O ARG A 60 -10.660 -2.848 0.705 1.00 0.00 O ATOM 806 CB ARG A 60 -9.246 -5.009 2.118 1.00 0.00 C ATOM 807 CG ARG A 60 -8.452 -5.530 3.322 1.00 0.00 C ATOM 808 CD ARG A 60 -7.895 -4.364 4.148 1.00 0.00 C ATOM 809 NE ARG A 60 -7.113 -4.864 5.274 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.627 -4.948 6.498 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.872 -4.628 6.719 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.913 -5.432 7.471 1.00 0.00 N ATOM 0 H ARG A 60 -11.402 -6.175 2.902 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.233 -3.501 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.514 -5.836 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.632 -4.323 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.094 -6.151 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.634 -6.163 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.272 -3.729 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.714 -3.745 4.513 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.148 -5.156 5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.461 -4.310 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.256 -4.696 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.959 -5.747 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.307 -5.496 8.410 1.00 0.00 H new ATOM 826 N ARG A 61 -12.485 -4.069 1.215 1.00 0.00 N ATOM 827 CA ARG A 61 -13.234 -3.638 0.041 1.00 0.00 C ATOM 828 C ARG A 61 -14.508 -2.899 0.445 1.00 0.00 C ATOM 829 O ARG A 61 -15.488 -2.948 -0.289 1.00 0.00 O ATOM 830 CB ARG A 61 -13.594 -4.857 -0.812 1.00 0.00 C ATOM 831 CG ARG A 61 -12.325 -5.454 -1.432 1.00 0.00 C ATOM 832 CD ARG A 61 -12.677 -6.684 -2.272 1.00 0.00 C ATOM 833 NE ARG A 61 -11.473 -7.266 -2.852 1.00 0.00 N ATOM 834 CZ ARG A 61 -11.022 -6.905 -4.049 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.317 -5.726 -4.521 1.00 0.00 N ATOM 836 NH2 ARG A 61 -10.038 -7.574 -4.583 1.00 0.00 N ATOM 0 H ARG A 61 -12.993 -4.702 1.833 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.610 -2.955 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.096 -5.605 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.292 -4.568 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.830 -4.709 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.622 -5.730 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.183 -7.423 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.371 -6.404 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.961 -7.972 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.891 -5.086 -3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.974 -5.444 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.626 -8.362 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.680 -7.310 -5.501 1.00 0.00 H new ATOM 850 N TYR A 62 -14.435 -2.049 1.470 1.00 0.00 N ATOM 851 CA TYR A 62 -15.617 -1.273 1.847 1.00 0.00 C ATOM 852 C TYR A 62 -15.222 0.095 2.408 1.00 0.00 C ATOM 853 O TYR A 62 -14.077 0.301 2.808 1.00 0.00 O ATOM 854 CB TYR A 62 -16.446 -2.055 2.878 1.00 0.00 C ATOM 855 CG TYR A 62 -15.917 -1.867 4.283 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.809 -2.597 4.737 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.752 -1.255 5.227 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.348 -2.395 6.047 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.295 -1.044 6.528 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.146 -1.707 6.968 1.00 0.00 C ATOM 861 OH TYR A 62 -14.707 -1.526 8.263 1.00 0.00 O ATOM 0 H TYR A 62 -13.603 -1.883 2.036 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.220 -1.107 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.485 -1.727 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.435 -3.115 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.317 -3.305 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.749 -0.947 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.380 -2.770 6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.824 -0.374 7.189 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.381 -1.027 8.770 1.00 0.00 H new ATOM 871 N CYS A 63 -16.181 1.021 2.430 1.00 0.00 N ATOM 872 CA CYS A 63 -15.993 2.305 3.105 1.00 0.00 C ATOM 873 C CYS A 63 -16.312 2.191 4.589 1.00 0.00 C ATOM 874 O CYS A 63 -17.310 1.572 4.960 1.00 0.00 O ATOM 875 CB CYS A 63 -16.893 3.384 2.497 1.00 0.00 C ATOM 876 SG CYS A 63 -17.122 4.761 3.657 1.00 0.00 S ATOM 0 H CYS A 63 -17.094 0.906 1.989 1.00 0.00 H new ATOM 0 HA CYS A 63 -14.948 2.585 2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.452 3.752 1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -17.861 2.954 2.240 1.00 0.00 H new ATOM 881 N LYS A 64 -15.750 3.143 5.321 1.00 0.00 N ATOM 882 CA LYS A 64 -16.005 3.271 6.746 1.00 0.00 C ATOM 883 C LYS A 64 -17.484 3.562 7.003 1.00 0.00 C ATOM 884 O LYS A 64 -18.068 3.022 7.944 1.00 0.00 O ATOM 885 CB LYS A 64 -15.167 4.448 7.252 1.00 0.00 C ATOM 886 CG LYS A 64 -15.273 4.591 8.772 1.00 0.00 C ATOM 887 CD LYS A 64 -14.386 5.754 9.223 1.00 0.00 C ATOM 888 CE LYS A 64 -14.459 5.902 10.742 1.00 0.00 C ATOM 889 NZ LYS A 64 -13.589 7.035 11.168 1.00 0.00 N ATOM 0 H LYS A 64 -15.109 3.843 4.946 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.745 2.345 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.124 4.303 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.502 5.368 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.308 4.771 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.961 3.668 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.355 5.578 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.709 6.677 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.488 6.082 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.137 4.979 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.636 7.139 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.607 6.845 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.916 7.913 10.716 1.00 0.00 H new ATOM 903 N LYS A 65 -18.077 4.402 6.158 1.00 0.00 N ATOM 904 CA LYS A 65 -19.501 4.706 6.273 1.00 0.00 C ATOM 905 C LYS A 65 -20.364 4.216 5.103 1.00 0.00 C ATOM 906 O LYS A 65 -21.533 3.923 5.340 1.00 0.00 O ATOM 907 CB LYS A 65 -19.714 6.202 6.522 1.00 0.00 C ATOM 908 CG LYS A 65 -21.207 6.463 6.745 1.00 0.00 C ATOM 909 CD LYS A 65 -21.468 7.941 7.038 1.00 0.00 C ATOM 910 CE LYS A 65 -22.969 8.135 7.267 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.266 9.569 7.549 1.00 0.00 N ATOM 0 H LYS A 65 -17.600 4.880 5.394 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.848 4.136 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.141 6.524 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.354 6.780 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.769 6.159 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.566 5.855 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -20.907 8.257 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.129 8.557 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.524 7.807 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.300 7.517 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.288 9.688 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.750 9.869 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.967 10.151 6.740 1.00 0.00 H new ATOM 925 N CYS A 66 -19.827 4.005 3.892 1.00 0.00 N ATOM 926 CA CYS A 66 -20.752 3.599 2.827 1.00 0.00 C ATOM 927 C CYS A 66 -21.259 2.202 3.153 1.00 0.00 C ATOM 928 O CYS A 66 -22.349 1.823 2.724 1.00 0.00 O ATOM 929 CB CYS A 66 -20.154 3.464 1.411 1.00 0.00 C ATOM 930 SG CYS A 66 -19.311 4.899 0.688 1.00 0.00 S ATOM 0 H CYS A 66 -18.844 4.098 3.638 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.498 4.393 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.445 2.636 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -20.961 3.178 0.736 1.00 0.00 H new ATOM 935 N HIS A 67 -20.354 1.386 3.686 1.00 0.00 N ATOM 936 CA HIS A 67 -20.660 -0.014 3.940 1.00 0.00 C ATOM 937 C HIS A 67 -20.895 -0.702 2.597 1.00 0.00 C ATOM 938 O HIS A 67 -22.030 -1.114 2.379 1.00 0.00 O ATOM 939 CB HIS A 67 -21.866 -0.185 4.870 1.00 0.00 C ATOM 940 CG HIS A 67 -21.572 0.446 6.201 1.00 0.00 C ATOM 941 ND1 HIS A 67 -20.690 -0.117 7.104 1.00 0.00 N ATOM 942 CD2 HIS A 67 -22.161 1.495 6.866 1.00 0.00 C ATOM 943 CE1 HIS A 67 -20.592 0.730 8.142 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.547 1.662 8.107 1.00 0.00 N ATOM 0 H HIS A 67 -19.410 1.669 3.948 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.818 -0.475 4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.748 0.275 4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.090 -1.244 5.000 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -22.973 2.097 6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -19.835 0.665 8.909 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -21.777 2.345 8.829 1.00 0.00 H new ATOM 953 N ALA A 68 -20.192 -0.146 1.613 1.00 0.00 N ATOM 954 CA ALA A 68 -20.357 -0.501 0.204 1.00 0.00 C ATOM 955 C ALA A 68 -19.000 -0.797 -0.416 1.00 0.00 C ATOM 956 O ALA A 68 -18.035 -0.103 -0.098 1.00 0.00 O ATOM 957 CB ALA A 68 -21.010 0.633 -0.586 1.00 0.00 C ATOM 0 H ALA A 68 -19.484 0.571 1.772 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.000 -1.380 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.117 0.335 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.993 0.849 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.386 1.525 -0.526 1.00 0.00 H new ATOM 963 N PHE A 69 -19.020 -1.533 -1.523 1.00 0.00 N ATOM 964 CA PHE A 69 -17.786 -2.034 -2.116 1.00 0.00 C ATOM 965 C PHE A 69 -16.932 -0.826 -2.495 1.00 0.00 C ATOM 966 O PHE A 69 -17.418 0.066 -3.183 1.00 0.00 O ATOM 967 CB PHE A 69 -18.132 -2.798 -3.401 1.00 0.00 C ATOM 968 CG PHE A 69 -16.955 -3.590 -3.928 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.746 -2.959 -4.256 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.991 -4.991 -3.882 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.647 -3.736 -4.646 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.022 -5.717 -4.588 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.835 -5.082 -4.974 1.00 0.00 C ATOM 0 H PHE A 69 -19.870 -1.794 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.260 -2.687 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.965 -3.474 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.464 -2.093 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.663 -1.883 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.753 -5.502 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.661 -3.298 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.189 -6.756 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.075 -5.624 -5.517 1.00 0.00 H new ATOM 983 N LEU A 70 -15.664 -0.807 -2.089 1.00 0.00 N ATOM 984 CA LEU A 70 -14.879 0.417 -2.217 1.00 0.00 C ATOM 985 C LEU A 70 -13.916 0.253 -3.388 1.00 0.00 C ATOM 986 O LEU A 70 -12.949 -0.505 -3.332 1.00 0.00 O ATOM 987 CB LEU A 70 -14.116 0.668 -0.908 1.00 0.00 C ATOM 988 CG LEU A 70 -13.521 2.083 -0.814 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.350 2.253 -1.785 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.582 3.152 -1.103 1.00 0.00 C ATOM 0 H LEU A 70 -15.170 -1.600 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.526 1.274 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.790 0.508 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.313 -0.063 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.159 2.212 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.948 3.263 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.570 1.530 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.696 2.087 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.131 4.142 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.979 3.008 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.391 3.067 -0.378 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.220 0.989 -4.451 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.279 1.305 -5.521 1.00 0.00 C ATOM 1004 C VAL A 71 -13.426 2.786 -5.853 1.00 0.00 C ATOM 1005 O VAL A 71 -14.552 3.269 -5.990 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.595 0.454 -6.758 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.696 0.857 -7.931 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.377 -1.027 -6.443 1.00 0.00 C ATOM 0 H VAL A 71 -15.146 1.391 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.258 1.089 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.637 0.622 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.934 0.243 -8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.862 1.907 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.652 0.708 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.604 -1.624 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.339 -1.188 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.033 -1.325 -5.625 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.327 3.530 -6.052 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.432 4.943 -6.508 1.00 0.00 C ATOM 1020 C PRO A 72 -13.086 5.070 -7.879 1.00 0.00 C ATOM 1021 O PRO A 72 -12.745 4.341 -8.809 1.00 0.00 O ATOM 1022 CB PRO A 72 -10.989 5.453 -6.528 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.203 4.492 -5.700 1.00 0.00 C ATOM 1024 CD PRO A 72 -10.933 3.150 -5.759 1.00 0.00 C ATOM 0 HA PRO A 72 -13.071 5.526 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.604 5.496 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.926 6.462 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.187 4.395 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.125 4.844 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.522 2.503 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.854 2.608 -4.816 1.00 0.00 H new ATOM 1032 N GLY A 73 -13.847 6.149 -8.033 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.514 6.475 -9.287 1.00 0.00 C ATOM 1034 C GLY A 73 -15.982 6.053 -9.292 1.00 0.00 C ATOM 1035 O GLY A 73 -16.742 6.518 -10.143 1.00 0.00 O ATOM 0 H GLY A 73 -14.019 6.824 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.447 7.549 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.995 5.984 -10.110 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.358 5.095 -8.442 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.685 4.487 -8.566 1.00 0.00 C ATOM 1041 C ILE A 74 -18.688 4.979 -7.518 1.00 0.00 C ATOM 1042 O ILE A 74 -19.686 5.601 -7.876 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.569 2.959 -8.508 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.784 2.442 -9.719 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.982 2.367 -8.536 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.416 0.967 -9.524 1.00 0.00 C ATOM 0 H ILE A 74 -15.783 4.732 -7.682 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.077 4.799 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.046 2.665 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.380 2.559 -10.624 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.879 3.035 -9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.922 1.279 -8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.546 2.731 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.485 2.669 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.859 0.613 -10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.802 0.860 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.326 0.377 -9.412 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.537 4.515 -6.274 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.376 4.989 -5.166 1.00 0.00 C ATOM 1060 C ASN A 75 -18.639 6.054 -4.372 1.00 0.00 C ATOM 1061 O ASN A 75 -19.011 6.365 -3.239 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.740 3.837 -4.222 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.503 3.282 -3.515 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.370 3.635 -3.839 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.661 2.434 -2.535 1.00 0.00 N ATOM 0 H ASN A 75 -17.845 3.814 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.288 5.405 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.459 4.186 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.226 3.041 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.847 2.067 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.598 2.138 -2.263 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.415 6.286 -4.824 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.524 7.220 -4.170 1.00 0.00 C ATOM 1074 C ALA A 76 -15.505 7.678 -5.201 1.00 0.00 C ATOM 1075 O ALA A 76 -15.035 6.854 -5.977 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.830 6.537 -2.985 1.00 0.00 C ATOM 0 H ALA A 76 -17.018 5.834 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.074 8.077 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.161 7.246 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.580 6.196 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.255 5.683 -3.343 1.00 0.00 H new ATOM 1082 N ARG A 77 -14.988 8.889 -5.032 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.037 9.448 -5.984 1.00 0.00 C ATOM 1084 C ARG A 77 -12.783 9.906 -5.259 1.00 0.00 C ATOM 1085 O ARG A 77 -12.848 10.293 -4.096 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.666 10.603 -6.769 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.782 10.952 -7.970 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.446 12.059 -8.794 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.535 13.299 -8.030 1.00 0.00 N ATOM 1090 CZ ARG A 77 -15.166 14.370 -8.511 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.643 14.369 -9.726 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -15.144 15.490 -7.844 1.00 0.00 N ATOM 0 H ARG A 77 -15.211 9.501 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.762 8.672 -6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.664 10.324 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.780 11.474 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.800 11.279 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.626 10.068 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.875 12.230 -9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.444 11.742 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.104 13.347 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.534 13.544 -10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.124 15.193 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.645 15.545 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.626 16.311 -8.210 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.639 9.649 -5.885 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.358 10.009 -5.295 1.00 0.00 C ATOM 1108 C VAL A 78 -9.584 10.893 -6.263 1.00 0.00 C ATOM 1109 O VAL A 78 -9.707 10.748 -7.481 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.536 8.758 -4.955 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -8.984 8.115 -6.231 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.364 9.144 -4.044 1.00 0.00 C ATOM 0 H VAL A 78 -11.574 9.195 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.543 10.553 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.185 8.045 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.404 7.230 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.811 7.829 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.344 8.828 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.782 8.254 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.728 9.867 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.748 9.586 -3.124 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.052 11.980 -5.717 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.175 12.860 -6.480 1.00 0.00 C ATOM 1124 C ARG A 79 -6.756 12.734 -5.948 1.00 0.00 C ATOM 1125 O ARG A 79 -6.539 12.722 -4.737 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.650 14.313 -6.367 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.782 15.225 -7.241 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.268 16.671 -7.103 1.00 0.00 C ATOM 1129 NE ARG A 79 -9.601 16.808 -7.687 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.262 17.966 -7.674 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.812 18.984 -6.990 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.485 18.001 -8.122 1.00 0.00 N ATOM 0 H ARG A 79 -9.212 12.272 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.199 12.570 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.693 14.387 -6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.601 14.639 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.737 15.150 -6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.836 14.909 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.292 16.957 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.572 17.346 -7.601 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.039 15.993 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.946 18.898 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.327 19.865 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.923 17.151 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.004 18.879 -8.119 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.815 12.527 -6.862 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.434 12.301 -6.469 1.00 0.00 C ATOM 1148 C LEU A 80 -3.652 13.577 -6.754 1.00 0.00 C ATOM 1149 O LEU A 80 -3.700 14.098 -7.869 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.855 11.139 -7.283 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.728 9.888 -7.101 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.922 9.945 -8.060 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.910 8.625 -7.385 1.00 0.00 C ATOM 0 H LEU A 80 -5.982 12.511 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.371 12.050 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.808 11.410 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.834 10.931 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.086 9.858 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.538 9.056 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.517 10.833 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.561 9.986 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.540 7.746 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.539 8.654 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.067 8.575 -6.695 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.152 14.190 -5.688 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.458 15.465 -5.802 1.00 0.00 C ATOM 1167 C ARG A 81 -0.961 15.225 -5.674 1.00 0.00 C ATOM 1168 O ARG A 81 -0.516 14.654 -4.677 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.937 16.410 -4.699 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.417 16.746 -4.913 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.905 17.639 -3.773 1.00 0.00 C ATOM 1172 NE ARG A 81 -4.929 16.879 -2.528 1.00 0.00 N ATOM 1173 CZ ARG A 81 -5.280 17.433 -1.370 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.445 18.725 -1.280 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -5.243 16.709 -0.284 1.00 0.00 N ATOM 0 H ARG A 81 -3.214 13.825 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.671 15.920 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.797 15.946 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.342 17.323 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.552 17.252 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.007 15.830 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.250 18.504 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.902 18.019 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.669 15.893 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.305 19.315 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.714 19.144 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.948 15.734 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.509 17.119 0.611 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.188 15.852 -6.556 1.00 0.00 N ATOM 1190 CA GLN A 82 1.258 15.697 -6.501 1.00 0.00 C ATOM 1191 C GLN A 82 1.901 17.051 -6.209 1.00 0.00 C ATOM 1192 O GLN A 82 2.237 17.817 -7.111 1.00 0.00 O ATOM 1193 CB GLN A 82 1.758 15.098 -7.818 1.00 0.00 C ATOM 1194 CG GLN A 82 3.261 14.810 -7.742 1.00 0.00 C ATOM 1195 CD GLN A 82 3.550 13.723 -6.707 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.798 12.757 -6.587 1.00 0.00 O ATOM 1197 NE2 GLN A 82 4.649 13.779 -6.006 1.00 0.00 N ATOM 0 H GLN A 82 -0.531 16.459 -7.301 1.00 0.00 H new ATOM 0 HA GLN A 82 1.537 15.014 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.216 14.177 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.555 15.787 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.626 14.495 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.798 15.721 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.275 14.578 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.882 13.024 -5.361 1.00 0.00 H new ATOM 1206 N LYS A 83 2.356 17.121 -4.967 1.00 0.00 N ATOM 1207 CA LYS A 83 3.216 18.174 -4.438 1.00 0.00 C ATOM 1208 C LYS A 83 4.302 17.428 -3.674 1.00 0.00 C ATOM 1209 O LYS A 83 4.227 16.195 -3.615 1.00 0.00 O ATOM 1210 CB LYS A 83 2.403 19.082 -3.507 1.00 0.00 C ATOM 1211 CG LYS A 83 1.347 19.837 -4.327 1.00 0.00 C ATOM 1212 CD LYS A 83 0.497 20.731 -3.418 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.552 21.463 -4.260 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.394 22.323 -3.379 1.00 0.00 N ATOM 0 H LYS A 83 2.127 16.415 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 83 3.637 18.816 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.921 18.488 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.062 19.789 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.836 20.444 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.707 19.126 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.009 20.129 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.132 21.451 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.062 22.073 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.178 20.742 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.105 22.818 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.873 21.731 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.792 23.020 -2.897 1.00 0.00 H new ATOM 1228 N ARG A 84 5.371 18.075 -3.211 1.00 0.00 N ATOM 1229 CA ARG A 84 6.230 17.265 -2.353 1.00 0.00 C ATOM 1230 C ARG A 84 5.584 17.306 -0.968 1.00 0.00 C ATOM 1231 O ARG A 84 6.291 17.341 0.039 1.00 0.00 O ATOM 1232 CB ARG A 84 7.569 18.000 -2.225 1.00 0.00 C ATOM 1233 CG ARG A 84 8.310 18.090 -3.561 1.00 0.00 C ATOM 1234 CD ARG A 84 9.584 18.911 -3.332 1.00 0.00 C ATOM 1235 NE ARG A 84 10.351 19.076 -4.561 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.420 19.869 -4.604 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.827 20.499 -3.537 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.939 20.189 -5.753 1.00 0.00 N ATOM 0 H ARG A 84 5.643 19.042 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 84 6.361 16.253 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.394 19.005 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.196 17.485 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.557 17.094 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.681 18.562 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.318 19.891 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.203 18.420 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 84 10.064 18.576 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.325 20.387 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.647 21.103 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.527 19.833 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.758 20.796 -5.791 1.00 0.00 H new ATOM 1252 N MET A 85 4.331 16.851 -0.932 1.00 0.00 N ATOM 1253 CA MET A 85 3.718 16.102 0.157 1.00 0.00 C ATOM 1254 C MET A 85 2.678 15.166 -0.458 1.00 0.00 C ATOM 1255 O MET A 85 1.734 15.686 -1.049 1.00 0.00 O ATOM 1256 CB MET A 85 3.026 17.129 1.063 1.00 0.00 C ATOM 1257 CG MET A 85 3.179 16.766 2.542 1.00 0.00 C ATOM 1258 SD MET A 85 4.913 16.951 3.034 1.00 0.00 S ATOM 1259 CE MET A 85 4.732 16.452 4.767 1.00 0.00 C ATOM 0 H MET A 85 3.684 17.005 -1.706 1.00 0.00 H new ATOM 0 HA MET A 85 4.442 15.520 0.727 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.450 18.117 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.968 17.185 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.546 17.410 3.153 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.849 15.741 2.712 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.702 16.497 5.262 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.037 17.126 5.269 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.347 15.433 4.814 1.00 0.00 H new ATOM 1269 N PRO A 86 2.843 13.842 -0.547 1.00 0.00 N ATOM 1270 CA PRO A 86 1.796 13.053 -1.253 1.00 0.00 C ATOM 1271 C PRO A 86 0.455 13.196 -0.536 1.00 0.00 C ATOM 1272 O PRO A 86 0.384 13.071 0.685 1.00 0.00 O ATOM 1273 CB PRO A 86 2.324 11.613 -1.226 1.00 0.00 C ATOM 1274 CG PRO A 86 3.789 11.710 -0.933 1.00 0.00 C ATOM 1275 CD PRO A 86 4.038 13.047 -0.225 1.00 0.00 C ATOM 0 HA PRO A 86 1.616 13.388 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.813 11.025 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.150 11.117 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.108 10.879 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.368 11.652 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.153 12.915 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.947 13.528 -0.586 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.616 13.315 -1.316 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.967 13.344 -0.766 1.00 0.00 C ATOM 1285 C HIS A 87 -2.955 12.712 -1.739 1.00 0.00 C ATOM 1286 O HIS A 87 -2.924 13.006 -2.934 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.396 14.780 -0.440 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.502 15.344 0.631 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -1.582 14.921 1.948 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -0.611 16.391 0.641 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.531 15.454 2.593 1.00 0.00 C ATOM 1292 NE2 HIS A 87 0.009 16.455 1.890 1.00 0.00 N ATOM 0 H HIS A 87 -0.574 13.393 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.965 12.766 0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.342 15.399 -1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.433 14.793 -0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.421 17.058 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.170 15.118 3.554 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.718 17.120 2.199 1.00 0.00 H new ATOM 1301 N ILE A 88 -3.950 12.029 -1.183 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.181 11.727 -1.906 1.00 0.00 C ATOM 1303 C ILE A 88 -6.405 12.149 -1.092 1.00 0.00 C ATOM 1304 O ILE A 88 -6.350 12.199 0.135 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.248 10.233 -2.237 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.245 9.404 -0.948 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.033 9.855 -3.093 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.535 7.936 -1.266 1.00 0.00 C ATOM 0 H ILE A 88 -3.928 11.672 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.180 12.292 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.168 10.027 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.279 9.493 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.995 9.789 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.073 8.793 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.043 10.436 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.118 10.068 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.530 7.356 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.512 7.853 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.769 7.552 -1.940 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.441 12.620 -1.785 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.714 12.936 -1.138 1.00 0.00 C ATOM 1322 C VAL A 89 -9.846 12.093 -1.715 1.00 0.00 C ATOM 1323 O VAL A 89 -10.084 12.100 -2.919 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.047 14.425 -1.289 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.127 15.254 -0.389 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.865 14.884 -2.740 1.00 0.00 C ATOM 0 H VAL A 89 -7.424 12.791 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.611 12.703 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.088 14.570 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.367 16.312 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.269 14.956 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.089 15.086 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.108 15.944 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.831 14.725 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.527 14.311 -3.389 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.631 11.495 -0.821 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.631 10.505 -1.208 1.00 0.00 C ATOM 1338 C VAL A 90 -13.007 10.981 -0.750 1.00 0.00 C ATOM 1339 O VAL A 90 -13.254 11.041 0.453 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.294 9.163 -0.543 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.448 8.168 -0.701 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.031 8.577 -1.174 1.00 0.00 C ATOM 0 H VAL A 90 -10.592 11.681 0.181 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.634 10.379 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.130 9.341 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.184 7.225 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.345 8.574 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.637 7.995 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.795 7.625 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.196 8.420 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.200 9.268 -1.033 1.00 0.00 H new ATOM 1352 N LYS A 91 -13.972 10.943 -1.668 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.327 11.377 -1.347 1.00 0.00 C ATOM 1354 C LYS A 91 -16.239 10.163 -1.454 1.00 0.00 C ATOM 1355 O LYS A 91 -16.273 9.544 -2.509 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.885 12.456 -2.290 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.031 12.694 -3.543 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.674 13.332 -3.224 1.00 0.00 C ATOM 1359 CE LYS A 91 -12.900 13.545 -4.526 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.586 14.178 -4.225 1.00 0.00 N ATOM 0 H LYS A 91 -13.842 10.620 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.291 11.812 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.891 12.170 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.974 13.393 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.870 11.744 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.577 13.338 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.817 14.284 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.106 12.690 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.749 12.591 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.474 14.178 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.103 14.416 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.737 15.045 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.999 13.516 -3.679 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.184 10.049 -0.525 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.226 9.035 -0.638 1.00 0.00 C ATOM 1376 C CYS A 92 -19.413 9.601 -1.402 1.00 0.00 C ATOM 1377 O CYS A 92 -19.842 10.718 -1.116 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.728 8.701 0.763 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.425 7.926 1.745 1.00 0.00 S ATOM 0 H CYS A 92 -17.250 10.639 0.305 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.819 8.161 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.070 9.610 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -19.586 8.032 0.697 1.00 0.00 H new ATOM 1384 N LEU A 93 -19.802 8.959 -2.499 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.133 9.208 -3.033 1.00 0.00 C ATOM 1386 C LEU A 93 -22.247 8.760 -2.082 1.00 0.00 C ATOM 1387 O LEU A 93 -23.279 9.426 -2.000 1.00 0.00 O ATOM 1388 CB LEU A 93 -21.278 8.502 -4.385 1.00 0.00 C ATOM 1389 CG LEU A 93 -20.364 9.181 -5.415 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -20.313 8.358 -6.707 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -20.860 10.595 -5.724 1.00 0.00 C ATOM 0 H LEU A 93 -19.238 8.287 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.241 10.286 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.015 7.449 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -22.315 8.542 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.361 9.243 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -19.661 8.852 -7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -19.925 7.363 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -21.316 8.273 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.200 11.060 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -21.871 10.546 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -20.863 11.188 -4.809 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.107 7.574 -1.479 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.165 7.041 -0.618 1.00 0.00 C ATOM 1405 C GLU A 94 -23.240 7.776 0.720 1.00 0.00 C ATOM 1406 O GLU A 94 -24.327 8.070 1.216 1.00 0.00 O ATOM 1407 CB GLU A 94 -22.973 5.547 -0.352 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.155 4.769 -1.662 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.937 3.269 -1.469 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -22.849 2.861 -0.325 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.414 2.675 -2.398 1.00 0.00 O ATOM 0 H GLU A 94 -21.286 6.975 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.099 7.195 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.980 5.364 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.693 5.203 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.158 4.943 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.454 5.145 -2.408 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.075 8.002 1.327 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.991 8.768 2.570 1.00 0.00 C ATOM 1420 C CYS A 95 -22.155 10.262 2.305 1.00 0.00 C ATOM 1421 O CYS A 95 -22.980 10.903 2.959 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.689 8.492 3.339 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.481 6.720 3.665 1.00 0.00 S ATOM 0 H CYS A 95 -21.177 7.666 0.978 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.815 8.435 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.839 8.861 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.698 9.039 4.282 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.694 10.695 1.133 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.856 12.087 0.718 1.00 0.00 C ATOM 1430 C GLY A 96 -20.768 12.986 1.303 1.00 0.00 C ATOM 1431 O GLY A 96 -20.813 14.207 1.135 1.00 0.00 O ATOM 0 H GLY A 96 -21.208 10.106 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.830 12.147 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.835 12.449 1.034 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.731 12.365 1.860 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.732 13.074 2.658 1.00 0.00 C ATOM 1437 C HIS A 97 -17.315 12.867 2.136 1.00 0.00 C ATOM 1438 O HIS A 97 -17.031 11.889 1.448 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.816 12.657 4.129 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.077 13.200 4.738 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.309 12.592 4.577 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.336 14.407 5.339 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -22.219 13.349 5.215 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.686 14.484 5.672 1.00 0.00 N ATOM 0 H HIS A 97 -19.559 11.363 1.772 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.960 14.136 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.800 11.570 4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.948 13.030 4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.604 15.179 5.525 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.255 13.072 5.342 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.163 15.243 6.159 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.498 13.896 2.333 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.100 13.880 1.913 1.00 0.00 C ATOM 1455 C ILE A 98 -14.186 13.409 3.042 1.00 0.00 C ATOM 1456 O ILE A 98 -14.448 13.685 4.211 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.691 15.284 1.442 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.240 15.286 0.939 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.833 16.297 2.583 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -13.076 14.359 -0.266 1.00 0.00 C ATOM 0 H ILE A 98 -16.785 14.763 2.787 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.994 13.175 1.089 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.353 15.568 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.948 16.300 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.573 14.968 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.539 17.286 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.870 16.325 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.191 16.002 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.039 14.379 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.346 13.342 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.726 14.694 -1.074 1.00 0.00 H new ATOM 1472 N MET A 99 -13.368 12.420 2.695 1.00 0.00 N ATOM 1473 CA MET A 99 -12.292 11.940 3.554 1.00 0.00 C ATOM 1474 C MET A 99 -10.933 12.266 2.936 1.00 0.00 C ATOM 1475 O MET A 99 -10.670 11.911 1.788 1.00 0.00 O ATOM 1476 CB MET A 99 -12.426 10.423 3.737 1.00 0.00 C ATOM 1477 CG MET A 99 -11.352 9.909 4.702 1.00 0.00 C ATOM 1478 SD MET A 99 -11.577 8.135 4.989 1.00 0.00 S ATOM 1479 CE MET A 99 -11.149 7.535 3.335 1.00 0.00 C ATOM 0 H MET A 99 -13.434 11.927 1.805 1.00 0.00 H new ATOM 0 HA MET A 99 -12.363 12.435 4.523 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.417 10.182 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.329 9.923 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.361 10.096 4.289 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.411 10.449 5.647 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.814 6.500 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.025 7.594 2.689 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.350 8.150 2.920 1.00 0.00 H new ATOM 1489 N ARG A 100 -10.030 12.804 3.751 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.670 13.088 3.303 1.00 0.00 C ATOM 1491 C ARG A 100 -7.729 11.990 3.786 1.00 0.00 C ATOM 1492 O ARG A 100 -7.835 11.540 4.925 1.00 0.00 O ATOM 1493 CB ARG A 100 -8.215 14.432 3.878 1.00 0.00 C ATOM 1494 CG ARG A 100 -9.038 15.563 3.257 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.610 16.905 3.860 1.00 0.00 C ATOM 1496 NE ARG A 100 -9.405 17.987 3.294 1.00 0.00 N ATOM 1497 CZ ARG A 100 -9.029 18.653 2.206 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -8.088 18.180 1.438 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.778 19.624 1.765 1.00 0.00 N ATOM 0 H ARG A 100 -10.215 13.052 4.723 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.651 13.128 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.335 14.434 4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.155 14.586 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.897 15.577 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.100 15.394 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.733 16.881 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.552 17.080 3.663 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.281 18.243 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.637 17.295 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.803 18.694 0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.641 19.865 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.502 20.143 0.932 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.840 11.541 2.904 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.833 10.550 3.272 1.00 0.00 C ATOM 1515 C TYR A 101 -4.431 11.088 2.983 1.00 0.00 C ATOM 1516 O TYR A 101 -4.053 11.231 1.822 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.066 9.253 2.486 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.007 8.062 3.416 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -4.832 7.788 4.130 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.074 7.154 3.463 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -4.817 6.736 5.054 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -6.962 5.985 4.222 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.843 5.785 5.041 1.00 0.00 C ATOM 1524 OH TYR A 101 -5.774 4.677 5.861 1.00 0.00 O ATOM 0 H TYR A 101 -6.796 11.847 1.932 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.917 10.343 4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.036 9.289 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.312 9.152 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.946 8.384 3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.981 7.357 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -4.016 6.659 5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.739 5.236 4.177 1.00 0.00 H new ATOM 0 HH TYR A 101 -6.569 4.120 5.726 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.724 11.590 4.010 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.271 11.928 3.900 1.00 0.00 C ATOM 1536 C PRO A 102 -1.415 10.704 3.595 1.00 0.00 C ATOM 1537 O PRO A 102 -1.698 9.609 4.079 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.921 12.516 5.273 1.00 0.00 C ATOM 1539 CG PRO A 102 -3.226 12.851 5.916 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.231 11.841 5.369 1.00 0.00 C ATOM 0 HA PRO A 102 -2.077 12.618 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.361 11.799 5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.296 13.403 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.156 12.784 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.528 13.871 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.257 10.930 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.244 12.243 5.356 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.372 10.895 2.788 1.00 0.00 N ATOM 1549 CA TYR A 103 0.662 9.877 2.633 1.00 0.00 C ATOM 1550 C TYR A 103 2.043 10.531 2.583 1.00 0.00 C ATOM 1551 O TYR A 103 2.229 11.534 1.896 1.00 0.00 O ATOM 1552 CB TYR A 103 0.384 9.081 1.354 1.00 0.00 C ATOM 1553 CG TYR A 103 1.340 7.916 1.240 1.00 0.00 C ATOM 1554 CD1 TYR A 103 1.039 6.710 1.886 1.00 0.00 C ATOM 1555 CD2 TYR A 103 2.523 8.034 0.504 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.810 5.573 1.630 1.00 0.00 C ATOM 1557 CE2 TYR A 103 3.369 6.925 0.362 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.977 5.678 0.860 1.00 0.00 C ATOM 1559 OH TYR A 103 3.797 4.580 0.690 1.00 0.00 O ATOM 0 H TYR A 103 -0.222 11.739 2.236 1.00 0.00 H new ATOM 0 HA TYR A 103 0.647 9.198 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.643 8.717 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.487 9.730 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.213 6.659 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.784 8.977 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.507 4.614 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.323 7.034 -0.132 1.00 0.00 H new ATOM 0 HH TYR A 103 4.561 4.826 0.128 1.00 0.00 H new ATOM 1569 N ILE A 104 2.979 10.018 3.380 1.00 0.00 N ATOM 1570 CA ILE A 104 4.347 10.535 3.384 1.00 0.00 C ATOM 1571 C ILE A 104 5.303 9.493 2.802 1.00 0.00 C ATOM 1572 O ILE A 104 5.083 8.301 3.015 1.00 0.00 O ATOM 1573 CB ILE A 104 4.773 10.904 4.810 1.00 0.00 C ATOM 1574 CG1 ILE A 104 3.849 12.003 5.352 1.00 0.00 C ATOM 1575 CG2 ILE A 104 6.223 11.406 4.804 1.00 0.00 C ATOM 1576 CD1 ILE A 104 4.095 12.206 6.849 1.00 0.00 C ATOM 0 H ILE A 104 2.816 9.248 4.029 1.00 0.00 H new ATOM 0 HA ILE A 104 4.384 11.432 2.766 1.00 0.00 H new ATOM 0 HB ILE A 104 4.702 10.023 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.027 12.936 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.808 11.731 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.522 11.667 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.878 10.622 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.301 12.286 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.434 12.988 7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.894 11.276 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.132 12.499 7.011 1.00 0.00 H new ATOM 1588 N LYS A 105 6.114 9.935 1.833 1.00 0.00 N ATOM 1589 CA LYS A 105 7.110 9.100 1.149 1.00 0.00 C ATOM 1590 C LYS A 105 7.193 7.676 1.701 1.00 0.00 C ATOM 1591 O LYS A 105 7.706 7.510 2.796 1.00 0.00 O ATOM 1592 CB LYS A 105 8.498 9.749 1.228 1.00 0.00 C ATOM 1593 CG LYS A 105 8.551 11.031 0.390 1.00 0.00 C ATOM 1594 CD LYS A 105 9.938 11.671 0.513 1.00 0.00 C ATOM 1595 CE LYS A 105 9.988 12.985 -0.270 1.00 0.00 C ATOM 1596 NZ LYS A 105 9.904 12.700 -1.730 1.00 0.00 N ATOM 0 H LYS A 105 6.097 10.898 1.497 1.00 0.00 H new ATOM 0 HA LYS A 105 6.779 9.029 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.738 9.978 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.253 9.047 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.336 10.804 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.786 11.730 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.169 11.856 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.697 10.986 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.165 13.632 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.912 13.519 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.157 13.555 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.562 11.932 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.934 12.414 -1.973 1.00 0.00 H new TER 1610 LYS A 105 HETATM 1611 ZN ZN A 124 -18.589 6.097 2.489 1.00 0.00 ZN