USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 100 ZNZN :(H bumps) USER MOD Set 1.1: A 30 CYS SG : rot -103:sc= -0.198 USER MOD Set 1.2: A 70 HIS : no HE2:sc= -1.32 X(o=-1.5,f=-1.1) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0369) USER MOD Single : A 52 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 1.92 K(o=1.9,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.42) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc=-0.00295 (180deg=-0.0697) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00256) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00741) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.191) USER MOD Single : A 79 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.31) USER MOD Single : A 82 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-0.95) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.0243 (180deg=0.0204) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 23 -6.917 -1.378 -1.388 1.00 0.00 N ATOM 2 CA GLY A 23 -6.267 -0.186 -0.815 1.00 0.00 C ATOM 3 C GLY A 23 -5.510 0.485 -1.929 1.00 0.00 C ATOM 4 O GLY A 23 -4.842 -0.235 -2.660 1.00 0.00 O ATOM 0 HA2 GLY A 23 -7.009 0.491 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.593 -0.467 -0.006 1.00 0.00 H new ATOM 8 N SER A 24 -5.627 1.803 -2.075 1.00 0.00 N ATOM 9 CA SER A 24 -5.042 2.545 -3.200 1.00 0.00 C ATOM 10 C SER A 24 -4.571 3.914 -2.709 1.00 0.00 C ATOM 11 O SER A 24 -5.318 4.600 -2.013 1.00 0.00 O ATOM 12 CB SER A 24 -6.087 2.729 -4.315 1.00 0.00 C ATOM 13 OG SER A 24 -6.763 1.513 -4.599 1.00 0.00 O ATOM 0 H SER A 24 -6.132 2.394 -1.415 1.00 0.00 H new ATOM 0 HA SER A 24 -4.197 1.984 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.810 3.488 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.597 3.094 -5.218 1.00 0.00 H new ATOM 0 HG SER A 24 -7.421 1.663 -5.310 1.00 0.00 H new ATOM 19 N TYR A 25 -3.339 4.303 -3.037 1.00 0.00 N ATOM 20 CA TYR A 25 -2.726 5.556 -2.588 1.00 0.00 C ATOM 21 C TYR A 25 -1.686 6.009 -3.627 1.00 0.00 C ATOM 22 O TYR A 25 -1.070 5.167 -4.272 1.00 0.00 O ATOM 23 CB TYR A 25 -2.089 5.328 -1.206 1.00 0.00 C ATOM 24 CG TYR A 25 -2.019 6.575 -0.348 1.00 0.00 C ATOM 25 CD1 TYR A 25 -0.919 7.448 -0.442 1.00 0.00 C ATOM 26 CD2 TYR A 25 -3.066 6.857 0.552 1.00 0.00 C ATOM 27 CE1 TYR A 25 -0.879 8.615 0.347 1.00 0.00 C ATOM 28 CE2 TYR A 25 -3.020 8.010 1.357 1.00 0.00 C ATOM 29 CZ TYR A 25 -1.930 8.899 1.246 1.00 0.00 C ATOM 30 OH TYR A 25 -1.905 10.040 1.984 1.00 0.00 O ATOM 0 H TYR A 25 -2.726 3.747 -3.633 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.473 6.344 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.659 4.566 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.081 4.935 -1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.107 7.224 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.908 6.185 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.043 9.293 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.816 8.214 2.058 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.704 10.081 2.550 1.00 0.00 H new ATOM 40 N GLY A 26 -1.526 7.321 -3.831 1.00 0.00 N ATOM 41 CA GLY A 26 -0.642 7.900 -4.860 1.00 0.00 C ATOM 42 C GLY A 26 -1.395 8.852 -5.791 1.00 0.00 C ATOM 43 O GLY A 26 -0.980 9.997 -5.986 1.00 0.00 O ATOM 0 H GLY A 26 -2.014 8.026 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.175 8.436 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.194 7.098 -5.446 1.00 0.00 H new ATOM 47 N GLN A 27 -2.540 8.405 -6.315 1.00 0.00 N ATOM 48 CA GLN A 27 -3.475 9.222 -7.099 1.00 0.00 C ATOM 49 C GLN A 27 -4.527 9.804 -6.148 1.00 0.00 C ATOM 50 O GLN A 27 -5.708 9.466 -6.165 1.00 0.00 O ATOM 51 CB GLN A 27 -4.062 8.457 -8.296 1.00 0.00 C ATOM 52 CG GLN A 27 -3.048 8.410 -9.451 1.00 0.00 C ATOM 53 CD GLN A 27 -3.653 7.823 -10.721 1.00 0.00 C ATOM 54 OE1 GLN A 27 -3.563 6.639 -10.982 1.00 0.00 O ATOM 55 NE2 GLN A 27 -4.271 8.618 -11.568 1.00 0.00 N ATOM 0 H GLN A 27 -2.852 7.440 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.943 10.053 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.326 7.444 -7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.981 8.940 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.684 9.417 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.186 7.814 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.355 9.614 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.666 8.238 -12.428 1.00 0.00 H new ATOM 64 N SER A 28 -4.041 10.680 -5.280 1.00 0.00 N ATOM 65 CA SER A 28 -4.821 11.466 -4.332 1.00 0.00 C ATOM 66 C SER A 28 -4.365 12.922 -4.396 1.00 0.00 C ATOM 67 O SER A 28 -3.306 13.222 -4.964 1.00 0.00 O ATOM 68 CB SER A 28 -4.705 10.885 -2.916 1.00 0.00 C ATOM 69 OG SER A 28 -3.352 10.636 -2.560 1.00 0.00 O ATOM 0 H SER A 28 -3.041 10.872 -5.214 1.00 0.00 H new ATOM 0 HA SER A 28 -5.877 11.425 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.148 11.578 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.274 9.957 -2.855 1.00 0.00 H new ATOM 0 HG SER A 28 -3.315 10.268 -1.652 1.00 0.00 H new ATOM 75 N CYS A 29 -5.185 13.816 -3.843 1.00 0.00 N ATOM 76 CA CYS A 29 -4.908 15.242 -3.730 1.00 0.00 C ATOM 77 C CYS A 29 -3.560 15.501 -3.012 1.00 0.00 C ATOM 78 O CYS A 29 -2.992 14.627 -2.344 1.00 0.00 O ATOM 79 CB CYS A 29 -6.130 15.883 -3.036 1.00 0.00 C ATOM 80 SG CYS A 29 -6.410 17.631 -3.469 1.00 0.00 S ATOM 0 H CYS A 29 -6.089 13.555 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.778 15.706 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.021 15.310 -3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.002 15.805 -1.956 1.00 0.00 H new ATOM 85 N CYS A 30 -3.035 16.715 -3.147 1.00 0.00 N ATOM 86 CA CYS A 30 -1.824 17.176 -2.454 1.00 0.00 C ATOM 87 C CYS A 30 -1.979 18.573 -1.849 1.00 0.00 C ATOM 88 O CYS A 30 -1.011 19.122 -1.319 1.00 0.00 O ATOM 89 CB CYS A 30 -0.627 17.100 -3.413 1.00 0.00 C ATOM 90 SG CYS A 30 0.743 16.265 -2.557 1.00 0.00 S ATOM 0 H CYS A 30 -3.444 17.426 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.648 16.512 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.899 16.554 -4.316 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.326 18.100 -3.724 1.00 0.00 H new ATOM 0 HG CYS A 30 1.620 17.147 -2.178 1.00 0.00 H new ATOM 96 N LEU A 31 -3.182 19.141 -1.953 1.00 0.00 N ATOM 97 CA LEU A 31 -3.519 20.424 -1.354 1.00 0.00 C ATOM 98 C LEU A 31 -3.712 20.310 0.165 1.00 0.00 C ATOM 99 O LEU A 31 -4.015 19.248 0.716 1.00 0.00 O ATOM 100 CB LEU A 31 -4.786 20.976 -2.035 1.00 0.00 C ATOM 101 CG LEU A 31 -4.559 21.342 -3.514 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.898 21.558 -4.207 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.711 22.601 -3.699 1.00 0.00 C ATOM 0 H LEU A 31 -3.956 18.714 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.691 21.115 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.582 20.234 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.127 21.859 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.017 20.506 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.729 21.816 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.489 20.644 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.436 22.369 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.588 22.804 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.207 23.447 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.732 22.451 -3.243 1.00 0.00 H new ATOM 115 N ILE A 32 -3.579 21.452 0.819 1.00 0.00 N ATOM 116 CA ILE A 32 -3.808 21.678 2.240 1.00 0.00 C ATOM 117 C ILE A 32 -4.677 22.926 2.301 1.00 0.00 C ATOM 118 O ILE A 32 -4.330 23.926 1.674 1.00 0.00 O ATOM 119 CB ILE A 32 -2.459 21.891 2.968 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.608 20.601 2.949 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.694 22.377 4.408 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.258 20.713 3.672 1.00 0.00 C ATOM 0 H ILE A 32 -3.289 22.305 0.340 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.291 20.832 2.730 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.902 22.662 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.183 19.795 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.427 20.316 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.734 22.521 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.238 23.321 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.276 21.633 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.269 19.761 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.342 21.493 3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.426 20.964 4.719 1.00 0.00 H new ATOM 134 N GLU A 33 -5.788 22.891 3.035 1.00 0.00 N ATOM 135 CA GLU A 33 -6.632 24.076 3.211 1.00 0.00 C ATOM 136 C GLU A 33 -6.817 24.379 4.696 1.00 0.00 C ATOM 137 O GLU A 33 -7.270 23.553 5.483 1.00 0.00 O ATOM 138 CB GLU A 33 -7.911 23.988 2.374 1.00 0.00 C ATOM 139 CG GLU A 33 -8.356 25.415 2.014 1.00 0.00 C ATOM 140 CD GLU A 33 -9.397 25.488 0.891 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.646 24.460 0.205 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.878 26.619 0.661 1.00 0.00 O ATOM 0 H GLU A 33 -6.126 22.058 3.517 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.130 24.956 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.733 23.407 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.695 23.476 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.766 25.891 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.480 25.993 1.719 1.00 0.00 H new ATOM 149 N ASP A 34 -6.351 25.569 5.069 1.00 0.00 N ATOM 150 CA ASP A 34 -6.198 26.131 6.422 1.00 0.00 C ATOM 151 C ASP A 34 -5.083 25.449 7.245 1.00 0.00 C ATOM 152 O ASP A 34 -4.235 26.108 7.855 1.00 0.00 O ATOM 153 CB ASP A 34 -7.529 26.263 7.184 1.00 0.00 C ATOM 154 CG ASP A 34 -7.403 27.286 8.321 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.272 28.489 7.994 1.00 0.00 O ATOM 156 OD2 ASP A 34 -7.389 26.878 9.500 1.00 0.00 O ATOM 0 H ASP A 34 -6.038 26.236 4.364 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.856 27.155 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.318 26.570 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.819 25.294 7.590 1.00 0.00 H new ATOM 161 N GLY A 35 -5.045 24.126 7.124 1.00 0.00 N ATOM 162 CA GLY A 35 -4.087 23.148 7.653 1.00 0.00 C ATOM 163 C GLY A 35 -4.519 21.690 7.411 1.00 0.00 C ATOM 164 O GLY A 35 -3.687 20.785 7.471 1.00 0.00 O ATOM 0 H GLY A 35 -5.772 23.652 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.114 23.314 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.963 23.311 8.724 1.00 0.00 H new ATOM 168 N GLU A 36 -5.793 21.453 7.085 1.00 0.00 N ATOM 169 CA GLU A 36 -6.337 20.147 6.709 1.00 0.00 C ATOM 170 C GLU A 36 -5.716 19.626 5.399 1.00 0.00 C ATOM 171 O GLU A 36 -5.941 20.174 4.315 1.00 0.00 O ATOM 172 CB GLU A 36 -7.866 20.262 6.565 1.00 0.00 C ATOM 173 CG GLU A 36 -8.587 20.282 7.923 1.00 0.00 C ATOM 174 CD GLU A 36 -8.316 19.002 8.732 1.00 0.00 C ATOM 175 OE1 GLU A 36 -8.612 17.905 8.200 1.00 0.00 O ATOM 176 OE2 GLU A 36 -7.749 19.117 9.841 1.00 0.00 O ATOM 0 H GLU A 36 -6.497 22.191 7.076 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.088 19.431 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.108 21.172 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.236 19.424 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.260 21.150 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.660 20.391 7.764 1.00 0.00 H new ATOM 183 N ARG A 37 -4.926 18.547 5.502 1.00 0.00 N ATOM 184 CA ARG A 37 -4.320 17.811 4.377 1.00 0.00 C ATOM 185 C ARG A 37 -5.386 17.029 3.610 1.00 0.00 C ATOM 186 O ARG A 37 -5.761 15.923 3.997 1.00 0.00 O ATOM 187 CB ARG A 37 -3.185 16.909 4.906 1.00 0.00 C ATOM 188 CG ARG A 37 -2.541 15.935 3.899 1.00 0.00 C ATOM 189 CD ARG A 37 -2.016 16.582 2.610 1.00 0.00 C ATOM 190 NE ARG A 37 -1.098 15.668 1.896 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.355 14.839 0.904 1.00 0.00 C ATOM 192 NH1 ARG A 37 -2.532 14.666 0.394 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.384 14.175 0.364 1.00 0.00 N ATOM 0 H ARG A 37 -4.681 18.145 6.407 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.882 18.513 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.400 17.551 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.576 16.326 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.715 15.422 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.275 15.175 3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.853 16.842 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.498 17.510 2.849 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.130 15.681 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.328 15.188 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.663 14.008 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.569 14.296 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.572 13.531 -0.404 1.00 0.00 H new ATOM 207 N CYS A 38 -5.833 17.583 2.488 1.00 0.00 N ATOM 208 CA CYS A 38 -6.759 16.922 1.582 1.00 0.00 C ATOM 209 C CYS A 38 -6.164 15.596 1.086 1.00 0.00 C ATOM 210 O CYS A 38 -5.057 15.565 0.551 1.00 0.00 O ATOM 211 CB CYS A 38 -7.048 17.892 0.437 1.00 0.00 C ATOM 212 SG CYS A 38 -8.565 17.400 -0.431 1.00 0.00 S ATOM 0 H CYS A 38 -5.557 18.516 2.180 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.693 16.670 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.155 18.905 0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.209 17.905 -0.259 1.00 0.00 H new ATOM 217 N VAL A 39 -6.901 14.499 1.259 1.00 0.00 N ATOM 218 CA VAL A 39 -6.491 13.123 0.899 1.00 0.00 C ATOM 219 C VAL A 39 -7.492 12.443 -0.037 1.00 0.00 C ATOM 220 O VAL A 39 -7.356 11.258 -0.330 1.00 0.00 O ATOM 221 CB VAL A 39 -6.231 12.255 2.150 1.00 0.00 C ATOM 222 CG1 VAL A 39 -4.923 12.655 2.837 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.387 12.312 3.157 1.00 0.00 C ATOM 0 H VAL A 39 -7.835 14.535 1.668 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.551 13.218 0.355 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.151 11.227 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.766 12.027 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.093 12.523 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.978 13.700 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.152 11.684 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.531 13.341 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.300 11.952 2.683 1.00 0.00 H new ATOM 233 N ARG A 40 -8.490 13.189 -0.533 1.00 0.00 N ATOM 234 CA ARG A 40 -9.460 12.705 -1.524 1.00 0.00 C ATOM 235 C ARG A 40 -8.761 12.077 -2.746 1.00 0.00 C ATOM 236 O ARG A 40 -7.660 12.513 -3.099 1.00 0.00 O ATOM 237 CB ARG A 40 -10.354 13.877 -1.968 1.00 0.00 C ATOM 238 CG ARG A 40 -11.412 14.265 -0.926 1.00 0.00 C ATOM 239 CD ARG A 40 -12.444 15.233 -1.541 1.00 0.00 C ATOM 240 NE ARG A 40 -13.680 15.354 -0.730 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.619 14.432 -0.588 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.528 13.266 -1.170 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.648 14.618 0.193 1.00 0.00 N ATOM 0 H ARG A 40 -8.647 14.157 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.067 11.927 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.727 14.743 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.853 13.611 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.916 13.371 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.931 14.734 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.990 16.218 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.705 14.889 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.820 16.234 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.719 13.048 -1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.266 12.574 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.743 15.491 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.357 13.891 0.284 1.00 0.00 H new ATOM 257 N PRO A 41 -9.400 11.099 -3.422 1.00 0.00 N ATOM 258 CA PRO A 41 -8.869 10.536 -4.660 1.00 0.00 C ATOM 259 C PRO A 41 -8.758 11.645 -5.709 1.00 0.00 C ATOM 260 O PRO A 41 -9.643 12.497 -5.818 1.00 0.00 O ATOM 261 CB PRO A 41 -9.848 9.436 -5.081 1.00 0.00 C ATOM 262 CG PRO A 41 -11.167 9.869 -4.446 1.00 0.00 C ATOM 263 CD PRO A 41 -10.724 10.551 -3.151 1.00 0.00 C ATOM 0 HA PRO A 41 -7.871 10.115 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.929 9.365 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.531 8.457 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.720 10.551 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.818 9.017 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.422 11.338 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.691 9.839 -2.326 1.00 0.00 H new ATOM 271 N ALA A 42 -7.650 11.645 -6.442 1.00 0.00 N ATOM 272 CA ALA A 42 -7.438 12.575 -7.539 1.00 0.00 C ATOM 273 C ALA A 42 -8.275 12.157 -8.755 1.00 0.00 C ATOM 274 O ALA A 42 -8.657 10.993 -8.891 1.00 0.00 O ATOM 275 CB ALA A 42 -5.943 12.643 -7.866 1.00 0.00 C ATOM 0 H ALA A 42 -6.875 10.999 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.765 13.574 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.782 13.340 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.394 12.984 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.588 11.653 -8.154 1.00 0.00 H new ATOM 281 N GLY A 43 -8.495 13.095 -9.669 1.00 0.00 N ATOM 282 CA GLY A 43 -9.192 12.843 -10.929 1.00 0.00 C ATOM 283 C GLY A 43 -8.452 13.479 -12.096 1.00 0.00 C ATOM 284 O GLY A 43 -7.225 13.602 -12.076 1.00 0.00 O ATOM 0 H GLY A 43 -8.192 14.063 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.281 11.769 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.205 13.242 -10.875 1.00 0.00 H new ATOM 288 N ASN A 44 -9.190 13.895 -13.123 1.00 0.00 N ATOM 289 CA ASN A 44 -8.656 14.552 -14.322 1.00 0.00 C ATOM 290 C ASN A 44 -8.217 16.018 -14.070 1.00 0.00 C ATOM 291 O ASN A 44 -8.437 16.896 -14.904 1.00 0.00 O ATOM 292 CB ASN A 44 -9.689 14.398 -15.455 1.00 0.00 C ATOM 293 CG ASN A 44 -9.902 12.941 -15.821 1.00 0.00 C ATOM 294 OD1 ASN A 44 -10.805 12.281 -15.342 1.00 0.00 O ATOM 295 ND2 ASN A 44 -9.055 12.374 -16.649 1.00 0.00 N ATOM 0 H ASN A 44 -10.204 13.783 -13.148 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.730 14.062 -14.623 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.637 14.839 -15.146 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.352 14.949 -16.333 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.157 11.387 -16.886 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.295 12.920 -17.055 1.00 0.00 H new ATOM 302 N ALA A 45 -7.597 16.287 -12.915 1.00 0.00 N ATOM 303 CA ALA A 45 -7.179 17.601 -12.442 1.00 0.00 C ATOM 304 C ALA A 45 -5.725 17.566 -11.926 1.00 0.00 C ATOM 305 O ALA A 45 -5.311 16.668 -11.187 1.00 0.00 O ATOM 306 CB ALA A 45 -8.168 18.056 -11.359 1.00 0.00 C ATOM 0 H ALA A 45 -7.363 15.548 -12.252 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.192 18.320 -13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.876 19.039 -10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.171 18.111 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.160 17.341 -10.536 1.00 0.00 H new ATOM 312 N SER A 46 -4.939 18.578 -12.310 1.00 0.00 N ATOM 313 CA SER A 46 -3.541 18.727 -11.887 1.00 0.00 C ATOM 314 C SER A 46 -3.178 20.165 -11.518 1.00 0.00 C ATOM 315 O SER A 46 -3.659 21.133 -12.112 1.00 0.00 O ATOM 316 CB SER A 46 -2.563 18.219 -12.956 1.00 0.00 C ATOM 317 OG SER A 46 -2.727 18.905 -14.184 1.00 0.00 O ATOM 0 H SER A 46 -5.258 19.324 -12.929 1.00 0.00 H new ATOM 0 HA SER A 46 -3.447 18.114 -10.991 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.540 18.345 -12.602 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.717 17.151 -13.112 1.00 0.00 H new ATOM 0 HG SER A 46 -2.088 18.558 -14.841 1.00 0.00 H new ATOM 323 N PHE A 47 -2.283 20.302 -10.539 1.00 0.00 N ATOM 324 CA PHE A 47 -1.801 21.575 -9.991 1.00 0.00 C ATOM 325 C PHE A 47 -0.749 22.264 -10.891 1.00 0.00 C ATOM 326 O PHE A 47 0.323 22.688 -10.460 1.00 0.00 O ATOM 327 CB PHE A 47 -1.325 21.360 -8.547 1.00 0.00 C ATOM 328 CG PHE A 47 -1.432 22.631 -7.739 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.704 23.091 -7.356 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.285 23.366 -7.393 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.829 24.276 -6.617 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.413 24.554 -6.653 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.686 25.017 -6.276 1.00 0.00 C ATOM 0 H PHE A 47 -1.854 19.495 -10.085 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.632 22.280 -9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.921 20.577 -8.078 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.291 21.015 -8.550 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.586 22.531 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.692 23.019 -7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.806 24.619 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.468 25.112 -6.373 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.785 25.941 -5.725 1.00 0.00 H new ATOM 343 N SER A 48 -1.043 22.329 -12.191 1.00 0.00 N ATOM 344 CA SER A 48 -0.207 22.982 -13.207 1.00 0.00 C ATOM 345 C SER A 48 0.008 24.469 -12.893 1.00 0.00 C ATOM 346 O SER A 48 -0.892 25.125 -12.375 1.00 0.00 O ATOM 347 CB SER A 48 -0.884 22.860 -14.577 1.00 0.00 C ATOM 348 OG SER A 48 -0.822 21.537 -15.069 1.00 0.00 O ATOM 0 H SER A 48 -1.892 21.918 -12.579 1.00 0.00 H new ATOM 0 HA SER A 48 0.764 22.486 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.926 23.172 -14.498 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.402 23.535 -15.284 1.00 0.00 H new ATOM 0 HG SER A 48 -1.264 21.492 -15.943 1.00 0.00 H new ATOM 354 N LYS A 49 1.138 25.064 -13.311 1.00 0.00 N ATOM 355 CA LYS A 49 1.488 26.485 -13.044 1.00 0.00 C ATOM 356 C LYS A 49 0.356 27.493 -13.322 1.00 0.00 C ATOM 357 O LYS A 49 0.218 28.474 -12.594 1.00 0.00 O ATOM 358 CB LYS A 49 2.738 26.910 -13.843 1.00 0.00 C ATOM 359 CG LYS A 49 4.105 26.478 -13.280 1.00 0.00 C ATOM 360 CD LYS A 49 4.462 24.998 -13.506 1.00 0.00 C ATOM 361 CE LYS A 49 5.918 24.683 -13.121 1.00 0.00 C ATOM 362 NZ LYS A 49 6.910 25.276 -14.060 1.00 0.00 N ATOM 0 H LYS A 49 1.849 24.572 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 49 1.683 26.516 -11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.646 26.512 -14.854 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.734 27.997 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.880 27.097 -13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.121 26.681 -12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.790 24.371 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.303 24.744 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.111 25.056 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.055 23.602 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.862 24.934 -13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.677 24.996 -15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.885 26.313 -13.982 1.00 0.00 H new ATOM 376 N ARG A 50 -0.467 27.248 -14.353 1.00 0.00 N ATOM 377 CA ARG A 50 -1.647 28.070 -14.703 1.00 0.00 C ATOM 378 C ARG A 50 -2.694 28.164 -13.581 1.00 0.00 C ATOM 379 O ARG A 50 -3.359 29.187 -13.464 1.00 0.00 O ATOM 380 CB ARG A 50 -2.252 27.590 -16.041 1.00 0.00 C ATOM 381 CG ARG A 50 -2.992 26.240 -15.970 1.00 0.00 C ATOM 382 CD ARG A 50 -3.167 25.572 -17.345 1.00 0.00 C ATOM 383 NE ARG A 50 -3.980 26.362 -18.297 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.210 26.058 -19.568 1.00 0.00 C ATOM 385 NH1 ARG A 50 -3.797 24.937 -20.097 1.00 0.00 N ATOM 386 NH2 ARG A 50 -4.855 26.883 -20.344 1.00 0.00 N ATOM 0 H ARG A 50 -0.332 26.457 -14.983 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.297 29.094 -14.830 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.945 28.349 -16.403 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.452 27.511 -16.777 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.442 25.566 -15.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.973 26.394 -15.520 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.183 25.397 -17.781 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.633 24.596 -17.207 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.403 27.220 -17.943 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.281 24.265 -19.529 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.991 24.734 -21.078 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.189 27.774 -19.976 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.026 26.638 -21.319 1.00 0.00 H new ATOM 400 N VAL A 51 -2.819 27.122 -12.756 1.00 0.00 N ATOM 401 CA VAL A 51 -3.799 26.988 -11.665 1.00 0.00 C ATOM 402 C VAL A 51 -3.398 27.849 -10.457 1.00 0.00 C ATOM 403 O VAL A 51 -4.227 28.590 -9.927 1.00 0.00 O ATOM 404 CB VAL A 51 -3.946 25.490 -11.292 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.029 25.269 -10.241 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.331 24.649 -12.520 1.00 0.00 C ATOM 0 H VAL A 51 -2.211 26.306 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.770 27.355 -11.999 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.976 25.183 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.099 24.206 -10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.777 25.822 -9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.986 25.620 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.427 23.603 -12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.281 25.003 -12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.558 24.744 -13.283 1.00 0.00 H new ATOM 416 N GLN A 52 -2.108 27.851 -10.091 1.00 0.00 N ATOM 417 CA GLN A 52 -1.556 28.702 -9.022 1.00 0.00 C ATOM 418 C GLN A 52 -1.865 30.192 -9.206 1.00 0.00 C ATOM 419 O GLN A 52 -2.137 30.886 -8.233 1.00 0.00 O ATOM 420 CB GLN A 52 -0.029 28.553 -8.931 1.00 0.00 C ATOM 421 CG GLN A 52 0.433 27.238 -8.295 1.00 0.00 C ATOM 422 CD GLN A 52 1.937 27.195 -8.009 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.420 26.456 -7.174 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.769 27.962 -8.683 1.00 0.00 N ATOM 0 H GLN A 52 -1.408 27.255 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.041 28.356 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.393 28.628 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.373 29.385 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.111 27.083 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.173 26.412 -8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.412 28.600 -9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.770 27.918 -8.493 1.00 0.00 H new ATOM 433 N LYS A 53 -1.830 30.705 -10.444 1.00 0.00 N ATOM 434 CA LYS A 53 -2.101 32.129 -10.729 1.00 0.00 C ATOM 435 C LYS A 53 -3.505 32.556 -10.294 1.00 0.00 C ATOM 436 O LYS A 53 -3.681 33.651 -9.764 1.00 0.00 O ATOM 437 CB LYS A 53 -1.886 32.408 -12.221 1.00 0.00 C ATOM 438 CG LYS A 53 -1.586 33.892 -12.489 1.00 0.00 C ATOM 439 CD LYS A 53 -1.261 34.111 -13.975 1.00 0.00 C ATOM 440 CE LYS A 53 -0.947 35.577 -14.322 1.00 0.00 C ATOM 441 NZ LYS A 53 0.305 36.071 -13.686 1.00 0.00 N ATOM 0 H LYS A 53 -1.615 30.152 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.400 32.723 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.061 31.798 -12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.775 32.111 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.444 34.501 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.746 34.217 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.408 33.490 -14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.105 33.776 -14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.863 35.678 -15.404 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.780 36.205 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.464 37.063 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.219 36.003 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.108 35.493 -14.005 1.00 0.00 H new ATOM 455 N SER A 54 -4.483 31.671 -10.494 1.00 0.00 N ATOM 456 CA SER A 54 -5.866 31.881 -10.058 1.00 0.00 C ATOM 457 C SER A 54 -5.976 31.983 -8.530 1.00 0.00 C ATOM 458 O SER A 54 -6.594 32.900 -7.993 1.00 0.00 O ATOM 459 CB SER A 54 -6.763 30.740 -10.562 1.00 0.00 C ATOM 460 OG SER A 54 -8.086 31.215 -10.738 1.00 0.00 O ATOM 0 H SER A 54 -4.337 30.780 -10.968 1.00 0.00 H new ATOM 0 HA SER A 54 -6.199 32.827 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.378 30.351 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.754 29.915 -9.849 1.00 0.00 H new ATOM 0 HG SER A 54 -8.655 30.486 -11.061 1.00 0.00 H new ATOM 466 N ILE A 55 -5.310 31.062 -7.824 1.00 0.00 N ATOM 467 CA ILE A 55 -5.272 30.979 -6.352 1.00 0.00 C ATOM 468 C ILE A 55 -4.587 32.222 -5.761 1.00 0.00 C ATOM 469 O ILE A 55 -5.137 32.898 -4.887 1.00 0.00 O ATOM 470 CB ILE A 55 -4.531 29.682 -5.953 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.319 28.450 -6.450 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.296 29.553 -4.439 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.466 27.188 -6.484 1.00 0.00 C ATOM 0 H ILE A 55 -4.763 30.327 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.285 30.950 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.551 29.732 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.179 28.286 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.707 28.649 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.772 28.620 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.695 30.393 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.255 29.554 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.068 26.352 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.620 27.339 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.099 26.970 -5.481 1.00 0.00 H new ATOM 485 N SER A 56 -3.408 32.553 -6.298 1.00 0.00 N ATOM 486 CA SER A 56 -2.563 33.698 -5.945 1.00 0.00 C ATOM 487 C SER A 56 -3.294 35.031 -6.082 1.00 0.00 C ATOM 488 O SER A 56 -3.385 35.779 -5.111 1.00 0.00 O ATOM 489 CB SER A 56 -1.344 33.690 -6.869 1.00 0.00 C ATOM 490 OG SER A 56 -0.540 34.838 -6.697 1.00 0.00 O ATOM 0 H SER A 56 -2.991 31.991 -7.040 1.00 0.00 H new ATOM 0 HA SER A 56 -2.274 33.600 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.748 32.798 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.676 33.632 -7.906 1.00 0.00 H new ATOM 0 HG SER A 56 0.228 34.793 -7.304 1.00 0.00 H new ATOM 496 N GLN A 57 -3.889 35.316 -7.246 1.00 0.00 N ATOM 497 CA GLN A 57 -4.644 36.554 -7.472 1.00 0.00 C ATOM 498 C GLN A 57 -5.869 36.670 -6.544 1.00 0.00 C ATOM 499 O GLN A 57 -6.372 37.773 -6.316 1.00 0.00 O ATOM 500 CB GLN A 57 -5.015 36.643 -8.968 1.00 0.00 C ATOM 501 CG GLN A 57 -5.494 38.040 -9.421 1.00 0.00 C ATOM 502 CD GLN A 57 -6.997 38.115 -9.670 1.00 0.00 C ATOM 503 OE1 GLN A 57 -7.469 38.110 -10.801 1.00 0.00 O ATOM 504 NE2 GLN A 57 -7.811 38.186 -8.641 1.00 0.00 N ATOM 0 H GLN A 57 -3.861 34.697 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.018 37.409 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.147 36.358 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.799 35.916 -9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.222 38.773 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.968 38.318 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.435 38.191 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.819 38.236 -8.790 1.00 0.00 H new ATOM 513 N LYS A 58 -6.358 35.549 -5.996 1.00 0.00 N ATOM 514 CA LYS A 58 -7.449 35.517 -5.001 1.00 0.00 C ATOM 515 C LYS A 58 -6.926 35.641 -3.561 1.00 0.00 C ATOM 516 O LYS A 58 -7.707 35.954 -2.664 1.00 0.00 O ATOM 517 CB LYS A 58 -8.263 34.228 -5.230 1.00 0.00 C ATOM 518 CG LYS A 58 -9.731 34.245 -4.769 1.00 0.00 C ATOM 519 CD LYS A 58 -9.995 34.223 -3.254 1.00 0.00 C ATOM 520 CE LYS A 58 -11.275 33.445 -2.918 1.00 0.00 C ATOM 521 NZ LYS A 58 -11.418 33.250 -1.452 1.00 0.00 N ATOM 0 H LYS A 58 -6.004 34.622 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.098 36.382 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.244 33.999 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.755 33.410 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.204 35.137 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.233 33.385 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.147 33.769 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.081 35.245 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.142 33.983 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.255 32.476 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.808 32.305 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.486 33.337 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.059 33.972 -1.067 1.00 0.00 H new ATOM 535 N LYS A 59 -5.622 35.443 -3.348 1.00 0.00 N ATOM 536 CA LYS A 59 -4.917 35.400 -2.054 1.00 0.00 C ATOM 537 C LYS A 59 -5.585 34.450 -1.045 1.00 0.00 C ATOM 538 O LYS A 59 -5.932 34.847 0.074 1.00 0.00 O ATOM 539 CB LYS A 59 -4.677 36.831 -1.557 1.00 0.00 C ATOM 540 CG LYS A 59 -3.536 36.887 -0.525 1.00 0.00 C ATOM 541 CD LYS A 59 -3.332 38.291 0.063 1.00 0.00 C ATOM 542 CE LYS A 59 -4.584 38.853 0.756 1.00 0.00 C ATOM 543 NZ LYS A 59 -5.104 37.921 1.792 1.00 0.00 N ATOM 0 H LYS A 59 -4.981 35.298 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.933 34.951 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.436 37.475 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.592 37.220 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.749 36.187 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.610 36.558 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.512 38.260 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.032 38.970 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.346 39.812 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.359 39.040 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.874 38.381 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.464 37.059 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.338 37.669 2.449 1.00 0.00 H new ATOM 557 N LEU A 60 -5.822 33.219 -1.516 1.00 0.00 N ATOM 558 CA LEU A 60 -6.329 32.071 -0.749 1.00 0.00 C ATOM 559 C LEU A 60 -5.358 31.624 0.367 1.00 0.00 C ATOM 560 O LEU A 60 -4.269 32.171 0.525 1.00 0.00 O ATOM 561 CB LEU A 60 -6.625 30.909 -1.735 1.00 0.00 C ATOM 562 CG LEU A 60 -7.986 30.970 -2.454 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.131 29.826 -3.459 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.149 30.877 -1.459 1.00 0.00 C ATOM 0 H LEU A 60 -5.657 32.983 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.245 32.372 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.838 30.888 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.567 29.969 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.020 31.928 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.101 29.895 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.340 29.895 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.056 28.872 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.095 30.923 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.088 29.935 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.093 31.707 -0.755 1.00 0.00 H new ATOM 576 N LYS A 61 -5.773 30.591 1.114 1.00 0.00 N ATOM 577 CA LYS A 61 -5.014 29.888 2.163 1.00 0.00 C ATOM 578 C LYS A 61 -4.975 28.387 1.828 1.00 0.00 C ATOM 579 O LYS A 61 -5.455 27.543 2.582 1.00 0.00 O ATOM 580 CB LYS A 61 -5.623 30.210 3.539 1.00 0.00 C ATOM 581 CG LYS A 61 -4.719 29.755 4.698 1.00 0.00 C ATOM 582 CD LYS A 61 -5.369 30.082 6.050 1.00 0.00 C ATOM 583 CE LYS A 61 -4.690 29.374 7.234 1.00 0.00 C ATOM 584 NZ LYS A 61 -3.247 29.659 7.357 1.00 0.00 N ATOM 0 H LYS A 61 -6.707 30.198 0.996 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.979 30.226 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.795 31.284 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.595 29.724 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.537 28.683 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.750 30.248 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.335 31.159 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.421 29.797 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.189 29.672 8.156 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.830 28.298 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.864 29.161 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.755 29.334 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.104 30.683 7.472 1.00 0.00 H new ATOM 598 N LEU A 62 -4.523 28.118 0.601 1.00 0.00 N ATOM 599 CA LEU A 62 -4.428 26.799 -0.022 1.00 0.00 C ATOM 600 C LEU A 62 -2.940 26.522 -0.275 1.00 0.00 C ATOM 601 O LEU A 62 -2.335 27.175 -1.124 1.00 0.00 O ATOM 602 CB LEU A 62 -5.274 26.789 -1.315 1.00 0.00 C ATOM 603 CG LEU A 62 -5.531 25.406 -1.928 1.00 0.00 C ATOM 604 CD1 LEU A 62 -6.494 24.569 -1.100 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.165 25.588 -3.311 1.00 0.00 C ATOM 0 H LEU A 62 -4.195 28.859 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.823 26.008 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.235 27.257 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.775 27.410 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.570 24.893 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.640 23.601 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.082 24.421 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.452 25.084 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.352 24.611 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.107 26.128 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.488 26.155 -3.950 1.00 0.00 H new ATOM 617 N ASP A 63 -2.378 25.571 0.463 1.00 0.00 N ATOM 618 CA ASP A 63 -0.951 25.224 0.502 1.00 0.00 C ATOM 619 C ASP A 63 -0.651 23.845 -0.121 1.00 0.00 C ATOM 620 O ASP A 63 -1.561 23.071 -0.420 1.00 0.00 O ATOM 621 CB ASP A 63 -0.455 25.344 1.953 1.00 0.00 C ATOM 622 CG ASP A 63 -0.170 26.802 2.327 1.00 0.00 C ATOM 623 OD1 ASP A 63 0.983 27.224 2.079 1.00 0.00 O ATOM 624 OD2 ASP A 63 -1.083 27.477 2.858 1.00 0.00 O ATOM 0 H ASP A 63 -2.932 24.985 1.087 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.399 25.928 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.203 24.933 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.450 24.750 2.080 1.00 0.00 H new ATOM 629 N ILE A 64 0.635 23.502 -0.304 1.00 0.00 N ATOM 630 CA ILE A 64 1.063 22.293 -1.045 1.00 0.00 C ATOM 631 C ILE A 64 1.954 21.343 -0.241 1.00 0.00 C ATOM 632 O ILE A 64 3.078 21.687 0.135 1.00 0.00 O ATOM 633 CB ILE A 64 1.786 22.707 -2.355 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.974 23.701 -3.216 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.167 21.481 -3.210 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.365 23.148 -3.710 1.00 0.00 C ATOM 0 H ILE A 64 1.413 24.054 0.057 1.00 0.00 H new ATOM 0 HA ILE A 64 0.151 21.737 -1.263 1.00 0.00 H new ATOM 0 HB ILE A 64 2.693 23.217 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.790 24.604 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.574 23.994 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.671 21.813 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.834 20.834 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.266 20.929 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.874 23.905 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.190 22.262 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.986 22.882 -2.855 1.00 0.00 H new ATOM 648 N ASP A 65 1.483 20.106 -0.053 1.00 0.00 N ATOM 649 CA ASP A 65 2.270 19.040 0.570 1.00 0.00 C ATOM 650 C ASP A 65 3.426 18.589 -0.344 1.00 0.00 C ATOM 651 O ASP A 65 3.236 17.934 -1.375 1.00 0.00 O ATOM 652 CB ASP A 65 1.373 17.858 0.955 1.00 0.00 C ATOM 653 CG ASP A 65 2.191 16.679 1.495 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.319 16.895 1.988 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.692 15.539 1.372 1.00 0.00 O ATOM 0 H ASP A 65 0.545 19.817 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 65 2.713 19.439 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.653 18.177 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.801 17.536 0.085 1.00 0.00 H new ATOM 660 N LYS A 66 4.655 18.931 0.058 1.00 0.00 N ATOM 661 CA LYS A 66 5.898 18.513 -0.606 1.00 0.00 C ATOM 662 C LYS A 66 6.228 17.024 -0.473 1.00 0.00 C ATOM 663 O LYS A 66 7.055 16.577 -1.265 1.00 0.00 O ATOM 664 CB LYS A 66 7.073 19.367 -0.088 1.00 0.00 C ATOM 665 CG LYS A 66 7.218 20.689 -0.854 1.00 0.00 C ATOM 666 CD LYS A 66 7.857 20.480 -2.240 1.00 0.00 C ATOM 667 CE LYS A 66 7.871 21.764 -3.082 1.00 0.00 C ATOM 668 NZ LYS A 66 8.641 22.859 -2.438 1.00 0.00 N ATOM 0 H LYS A 66 4.819 19.521 0.874 1.00 0.00 H new ATOM 0 HA LYS A 66 5.737 18.677 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.926 19.578 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.998 18.797 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.237 21.150 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.828 21.381 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.878 20.121 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.309 19.704 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.301 21.548 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.846 22.095 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.634 23.697 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.207 23.098 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.622 22.550 -2.285 1.00 0.00 H new ATOM 682 N SER A 67 5.617 16.276 0.452 1.00 0.00 N ATOM 683 CA SER A 67 5.932 14.864 0.741 1.00 0.00 C ATOM 684 C SER A 67 5.863 13.966 -0.501 1.00 0.00 C ATOM 685 O SER A 67 6.843 13.320 -0.866 1.00 0.00 O ATOM 686 CB SER A 67 4.978 14.355 1.831 1.00 0.00 C ATOM 687 OG SER A 67 5.313 13.039 2.209 1.00 0.00 O ATOM 0 H SER A 67 4.868 16.642 1.039 1.00 0.00 H new ATOM 0 HA SER A 67 6.964 14.817 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.026 15.012 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.951 14.384 1.466 1.00 0.00 H new ATOM 0 HG SER A 67 4.696 12.732 2.905 1.00 0.00 H new ATOM 693 N VAL A 68 4.744 14.013 -1.235 1.00 0.00 N ATOM 694 CA VAL A 68 4.540 13.207 -2.458 1.00 0.00 C ATOM 695 C VAL A 68 5.062 13.924 -3.719 1.00 0.00 C ATOM 696 O VAL A 68 5.099 13.347 -4.803 1.00 0.00 O ATOM 697 CB VAL A 68 3.061 12.769 -2.579 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.837 11.685 -3.646 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.541 12.174 -1.260 1.00 0.00 C ATOM 0 H VAL A 68 3.950 14.610 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 68 5.138 12.300 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 68 2.529 13.681 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.780 11.422 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.149 12.063 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.423 10.801 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.499 11.877 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.138 11.302 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.616 12.921 -0.469 1.00 0.00 H new ATOM 709 N ARG A 69 5.484 15.194 -3.592 1.00 0.00 N ATOM 710 CA ARG A 69 6.125 16.051 -4.621 1.00 0.00 C ATOM 711 C ARG A 69 5.463 16.040 -6.020 1.00 0.00 C ATOM 712 O ARG A 69 6.110 16.348 -7.018 1.00 0.00 O ATOM 713 CB ARG A 69 7.632 15.706 -4.622 1.00 0.00 C ATOM 714 CG ARG A 69 8.545 16.815 -5.171 1.00 0.00 C ATOM 715 CD ARG A 69 10.011 16.591 -4.765 1.00 0.00 C ATOM 716 NE ARG A 69 10.581 15.352 -5.342 1.00 0.00 N ATOM 717 CZ ARG A 69 11.633 14.677 -4.900 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.276 15.033 -3.821 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.074 13.632 -5.547 1.00 0.00 N ATOM 0 H ARG A 69 5.382 15.690 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 69 5.976 17.096 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.938 15.474 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.784 14.803 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.468 16.846 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.207 17.783 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.607 17.445 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.080 16.546 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 69 10.114 14.978 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.972 15.851 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.082 14.493 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.608 13.327 -6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.884 13.120 -5.198 1.00 0.00 H new ATOM 733 N HIS A 70 4.164 15.725 -6.082 1.00 0.00 N ATOM 734 CA HIS A 70 3.367 15.549 -7.310 1.00 0.00 C ATOM 735 C HIS A 70 2.351 16.686 -7.509 1.00 0.00 C ATOM 736 O HIS A 70 2.002 17.373 -6.555 1.00 0.00 O ATOM 737 CB HIS A 70 2.723 14.137 -7.313 1.00 0.00 C ATOM 738 CG HIS A 70 1.534 13.877 -6.395 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.710 12.756 -6.427 1.00 0.00 N ATOM 740 CD2 HIS A 70 1.059 14.683 -5.394 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.260 12.917 -5.502 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.062 14.077 -4.860 1.00 0.00 N ATOM 0 H HIS A 70 3.610 15.578 -5.239 1.00 0.00 H new ATOM 0 HA HIS A 70 4.027 15.612 -8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.408 13.919 -8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.501 13.417 -7.059 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.820 11.951 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.485 15.624 -5.079 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.065 12.223 -5.310 1.00 0.00 H new ATOM 751 N LEU A 71 1.827 16.844 -8.726 1.00 0.00 N ATOM 752 CA LEU A 71 0.904 17.929 -9.087 1.00 0.00 C ATOM 753 C LEU A 71 -0.526 17.409 -9.301 1.00 0.00 C ATOM 754 O LEU A 71 -1.135 17.717 -10.317 1.00 0.00 O ATOM 755 CB LEU A 71 1.411 18.717 -10.319 1.00 0.00 C ATOM 756 CG LEU A 71 2.869 19.205 -10.231 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.839 18.225 -10.899 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.027 20.553 -10.937 1.00 0.00 C ATOM 0 H LEU A 71 2.033 16.214 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 71 0.873 18.621 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.309 18.085 -11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.764 19.581 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 71 3.103 19.289 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.857 18.606 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.773 17.255 -10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.578 18.116 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.064 20.882 -10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.752 20.449 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.378 21.290 -10.463 1.00 0.00 H new ATOM 770 N TYR A 72 -1.071 16.615 -8.380 1.00 0.00 N ATOM 771 CA TYR A 72 -2.428 16.060 -8.500 1.00 0.00 C ATOM 772 C TYR A 72 -3.354 16.632 -7.429 1.00 0.00 C ATOM 773 O TYR A 72 -2.914 16.895 -6.307 1.00 0.00 O ATOM 774 CB TYR A 72 -2.372 14.529 -8.435 1.00 0.00 C ATOM 775 CG TYR A 72 -1.936 13.917 -9.752 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.826 13.940 -10.843 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.646 13.374 -9.910 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.432 13.412 -12.085 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.250 12.833 -11.152 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.148 12.850 -12.242 1.00 0.00 C ATOM 781 OH TYR A 72 -0.771 12.342 -13.444 1.00 0.00 O ATOM 0 H TYR A 72 -0.587 16.335 -7.527 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.841 16.349 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.681 14.225 -7.648 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.354 14.142 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.812 14.364 -10.726 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.042 13.372 -9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.115 13.437 -12.921 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.736 12.408 -11.268 1.00 0.00 H new ATOM 0 HH TYR A 72 0.143 11.995 -13.380 1.00 0.00 H new ATOM 791 N ILE A 73 -4.627 16.816 -7.789 1.00 0.00 N ATOM 792 CA ILE A 73 -5.673 17.347 -6.912 1.00 0.00 C ATOM 793 C ILE A 73 -6.971 16.559 -7.110 1.00 0.00 C ATOM 794 O ILE A 73 -7.187 15.955 -8.165 1.00 0.00 O ATOM 795 CB ILE A 73 -5.910 18.866 -7.124 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.587 19.222 -8.467 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.599 19.651 -6.963 1.00 0.00 C ATOM 798 CD1 ILE A 73 -6.970 20.703 -8.602 1.00 0.00 C ATOM 0 H ILE A 73 -4.967 16.593 -8.724 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.333 17.226 -5.884 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.614 19.161 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.915 18.956 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.484 18.614 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.790 20.713 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.202 19.494 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.874 19.303 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.439 20.871 -9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.668 20.972 -7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.075 21.319 -8.521 1.00 0.00 H new ATOM 810 N CYS A 74 -7.840 16.580 -6.104 1.00 0.00 N ATOM 811 CA CYS A 74 -9.171 15.998 -6.198 1.00 0.00 C ATOM 812 C CYS A 74 -10.124 16.885 -7.016 1.00 0.00 C ATOM 813 O CYS A 74 -10.015 18.118 -7.054 1.00 0.00 O ATOM 814 CB CYS A 74 -9.689 15.680 -4.790 1.00 0.00 C ATOM 815 SG CYS A 74 -10.090 17.165 -3.827 1.00 0.00 S ATOM 0 H CYS A 74 -7.638 17.003 -5.198 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.118 15.059 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.578 15.054 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.937 15.099 -4.255 1.00 0.00 H new ATOM 820 N ASP A 75 -11.117 16.259 -7.646 1.00 0.00 N ATOM 821 CA ASP A 75 -12.155 16.967 -8.397 1.00 0.00 C ATOM 822 C ASP A 75 -13.000 17.940 -7.544 1.00 0.00 C ATOM 823 O ASP A 75 -13.618 18.860 -8.093 1.00 0.00 O ATOM 824 CB ASP A 75 -13.018 15.952 -9.159 1.00 0.00 C ATOM 825 CG ASP A 75 -12.549 15.875 -10.611 1.00 0.00 C ATOM 826 OD1 ASP A 75 -11.492 15.264 -10.867 1.00 0.00 O ATOM 827 OD2 ASP A 75 -13.197 16.560 -11.432 1.00 0.00 O ATOM 0 H ASP A 75 -11.225 15.245 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.651 17.616 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.945 14.971 -8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.066 16.247 -9.119 1.00 0.00 H new ATOM 832 N PHE A 76 -12.986 17.770 -6.215 1.00 0.00 N ATOM 833 CA PHE A 76 -13.612 18.658 -5.230 1.00 0.00 C ATOM 834 C PHE A 76 -12.839 19.991 -5.183 1.00 0.00 C ATOM 835 O PHE A 76 -13.402 21.058 -5.436 1.00 0.00 O ATOM 836 CB PHE A 76 -13.617 17.934 -3.868 1.00 0.00 C ATOM 837 CG PHE A 76 -14.693 18.367 -2.895 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.554 19.558 -2.156 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.828 17.556 -2.699 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.545 19.935 -1.235 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.819 17.934 -1.776 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.678 19.124 -1.041 1.00 0.00 C ATOM 0 H PHE A 76 -12.518 16.975 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.642 18.892 -5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.725 16.864 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.646 18.082 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.684 20.182 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.937 16.640 -3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.437 20.851 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.689 17.310 -1.632 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.437 19.415 -0.330 1.00 0.00 H new ATOM 852 N HIS A 77 -11.517 19.929 -4.960 1.00 0.00 N ATOM 853 CA HIS A 77 -10.635 21.105 -5.002 1.00 0.00 C ATOM 854 C HIS A 77 -10.565 21.748 -6.386 1.00 0.00 C ATOM 855 O HIS A 77 -10.484 22.973 -6.485 1.00 0.00 O ATOM 856 CB HIS A 77 -9.228 20.734 -4.520 1.00 0.00 C ATOM 857 CG HIS A 77 -9.035 21.050 -3.051 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.760 20.126 -2.027 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.177 22.288 -2.509 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.780 20.857 -0.883 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.037 22.147 -1.154 1.00 0.00 N ATOM 0 H HIS A 77 -11.029 19.060 -4.745 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.069 21.846 -4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.054 19.671 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.488 21.276 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.364 23.207 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.613 20.457 0.106 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.115 22.896 -0.466 1.00 0.00 H new ATOM 869 N LYS A 78 -10.657 20.946 -7.455 1.00 0.00 N ATOM 870 CA LYS A 78 -10.732 21.453 -8.829 1.00 0.00 C ATOM 871 C LYS A 78 -11.863 22.482 -8.973 1.00 0.00 C ATOM 872 O LYS A 78 -11.648 23.527 -9.580 1.00 0.00 O ATOM 873 CB LYS A 78 -10.935 20.274 -9.791 1.00 0.00 C ATOM 874 CG LYS A 78 -10.896 20.675 -11.276 1.00 0.00 C ATOM 875 CD LYS A 78 -11.579 19.649 -12.197 1.00 0.00 C ATOM 876 CE LYS A 78 -13.102 19.834 -12.289 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.840 19.120 -11.218 1.00 0.00 N ATOM 0 H LYS A 78 -10.681 19.928 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.799 21.959 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.163 19.527 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.894 19.802 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.382 21.643 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.858 20.798 -11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.150 19.725 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.363 18.644 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.337 20.897 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.447 19.478 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.818 18.946 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.372 18.212 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.848 19.701 -10.355 1.00 0.00 H new ATOM 891 N ASN A 79 -13.060 22.196 -8.439 1.00 0.00 N ATOM 892 CA ASN A 79 -14.184 23.138 -8.501 1.00 0.00 C ATOM 893 C ASN A 79 -13.905 24.414 -7.693 1.00 0.00 C ATOM 894 O ASN A 79 -14.143 25.506 -8.204 1.00 0.00 O ATOM 895 CB ASN A 79 -15.488 22.460 -8.044 1.00 0.00 C ATOM 896 CG ASN A 79 -16.680 23.401 -8.192 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.925 24.262 -7.370 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.436 23.298 -9.262 1.00 0.00 N ATOM 0 H ASN A 79 -13.273 21.321 -7.960 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.304 23.440 -9.541 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.658 21.558 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.394 22.149 -7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.220 23.937 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.239 22.579 -9.958 1.00 0.00 H new ATOM 905 N PHE A 80 -13.343 24.306 -6.485 1.00 0.00 N ATOM 906 CA PHE A 80 -13.021 25.476 -5.664 1.00 0.00 C ATOM 907 C PHE A 80 -12.149 26.504 -6.409 1.00 0.00 C ATOM 908 O PHE A 80 -12.483 27.688 -6.453 1.00 0.00 O ATOM 909 CB PHE A 80 -12.350 25.008 -4.370 1.00 0.00 C ATOM 910 CG PHE A 80 -12.047 26.143 -3.417 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.101 26.892 -2.856 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.716 26.430 -3.064 1.00 0.00 C ATOM 913 CE1 PHE A 80 -12.828 27.904 -1.920 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.448 27.432 -2.122 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.500 28.159 -1.539 1.00 0.00 C ATOM 0 H PHE A 80 -13.101 23.414 -6.053 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.951 25.994 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.997 24.286 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.423 24.489 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.121 26.688 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.904 25.880 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.635 28.483 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.427 27.647 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.287 28.915 -0.797 1.00 0.00 H new ATOM 925 N ILE A 81 -11.100 26.048 -7.103 1.00 0.00 N ATOM 926 CA ILE A 81 -10.183 26.893 -7.892 1.00 0.00 C ATOM 927 C ILE A 81 -10.824 27.419 -9.201 1.00 0.00 C ATOM 928 O ILE A 81 -10.250 28.255 -9.904 1.00 0.00 O ATOM 929 CB ILE A 81 -8.854 26.131 -8.135 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.207 25.665 -6.804 1.00 0.00 C ATOM 931 CG2 ILE A 81 -7.862 27.035 -8.895 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.188 24.539 -7.004 1.00 0.00 C ATOM 0 H ILE A 81 -10.855 25.058 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.962 27.790 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.085 25.247 -8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.716 26.513 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.989 25.326 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.931 26.493 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.293 27.322 -9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.661 27.930 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.768 24.253 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.681 23.678 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.389 24.884 -7.660 1.00 0.00 H new ATOM 944 N GLN A 82 -12.026 26.964 -9.551 1.00 0.00 N ATOM 945 CA GLN A 82 -12.788 27.475 -10.692 1.00 0.00 C ATOM 946 C GLN A 82 -13.943 28.377 -10.239 1.00 0.00 C ATOM 947 O GLN A 82 -14.291 29.313 -10.954 1.00 0.00 O ATOM 948 CB GLN A 82 -13.252 26.317 -11.590 1.00 0.00 C ATOM 949 CG GLN A 82 -12.086 25.561 -12.247 1.00 0.00 C ATOM 950 CD GLN A 82 -11.266 26.439 -13.189 1.00 0.00 C ATOM 951 OE1 GLN A 82 -11.505 26.518 -14.383 1.00 0.00 O ATOM 952 NE2 GLN A 82 -10.270 27.145 -12.699 1.00 0.00 N ATOM 0 H GLN A 82 -12.505 26.220 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.133 28.106 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.842 25.619 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.908 26.708 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.434 25.162 -11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.478 24.709 -12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.051 27.096 -11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.717 27.742 -13.314 1.00 0.00 H new ATOM 961 N SER A 83 -14.474 28.202 -9.027 1.00 0.00 N ATOM 962 CA SER A 83 -15.494 29.087 -8.447 1.00 0.00 C ATOM 963 C SER A 83 -14.997 30.540 -8.346 1.00 0.00 C ATOM 964 O SER A 83 -15.713 31.493 -8.673 1.00 0.00 O ATOM 965 CB SER A 83 -15.892 28.528 -7.078 1.00 0.00 C ATOM 966 OG SER A 83 -16.958 29.276 -6.534 1.00 0.00 O ATOM 0 H SER A 83 -14.207 27.434 -8.411 1.00 0.00 H new ATOM 0 HA SER A 83 -16.367 29.114 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.185 27.483 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.037 28.557 -6.403 1.00 0.00 H new ATOM 0 HG SER A 83 -17.204 28.907 -5.660 1.00 0.00 H new ATOM 972 N VAL A 84 -13.713 30.726 -8.013 1.00 0.00 N ATOM 973 CA VAL A 84 -13.067 32.049 -7.960 1.00 0.00 C ATOM 974 C VAL A 84 -13.031 32.752 -9.327 1.00 0.00 C ATOM 975 O VAL A 84 -13.166 33.974 -9.401 1.00 0.00 O ATOM 976 CB VAL A 84 -11.657 31.957 -7.338 1.00 0.00 C ATOM 977 CG1 VAL A 84 -11.716 31.261 -5.967 1.00 0.00 C ATOM 978 CG2 VAL A 84 -10.636 31.218 -8.208 1.00 0.00 C ATOM 0 H VAL A 84 -13.087 29.958 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 84 -13.685 32.670 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.321 32.990 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.713 31.205 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.361 31.830 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.116 30.254 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.672 31.197 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.977 30.197 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.532 31.733 -9.163 1.00 0.00 H new ATOM 988 N ARG A 85 -12.925 31.986 -10.424 1.00 0.00 N ATOM 989 CA ARG A 85 -12.827 32.480 -11.810 1.00 0.00 C ATOM 990 C ARG A 85 -14.068 33.277 -12.226 1.00 0.00 C ATOM 991 O ARG A 85 -13.958 34.226 -13.003 1.00 0.00 O ATOM 992 CB ARG A 85 -12.576 31.262 -12.728 1.00 0.00 C ATOM 993 CG ARG A 85 -12.012 31.531 -14.130 1.00 0.00 C ATOM 994 CD ARG A 85 -12.990 32.259 -15.065 1.00 0.00 C ATOM 995 NE ARG A 85 -12.822 31.840 -16.469 1.00 0.00 N ATOM 996 CZ ARG A 85 -13.581 30.985 -17.134 1.00 0.00 C ATOM 997 NH1 ARG A 85 -14.624 30.408 -16.605 1.00 0.00 N ATOM 998 NH2 ARG A 85 -13.285 30.689 -18.367 1.00 0.00 N ATOM 0 H ARG A 85 -12.904 30.968 -10.370 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.997 33.181 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.889 30.590 -12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.519 30.728 -12.842 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.103 32.125 -14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.728 30.582 -14.585 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.013 32.060 -14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.835 33.335 -14.986 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.041 32.252 -16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.884 30.610 -15.639 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.180 29.755 -17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.473 31.116 -18.813 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.865 30.031 -18.887 1.00 0.00 H new ATOM 1012 N ASN A 86 -15.239 32.932 -11.694 1.00 0.00 N ATOM 1013 CA ASN A 86 -16.500 33.595 -12.042 1.00 0.00 C ATOM 1014 C ASN A 86 -16.678 34.972 -11.373 1.00 0.00 C ATOM 1015 O ASN A 86 -17.412 35.815 -11.910 1.00 0.00 O ATOM 1016 CB ASN A 86 -17.660 32.637 -11.725 1.00 0.00 C ATOM 1017 CG ASN A 86 -17.759 31.492 -12.725 1.00 0.00 C ATOM 1018 OD1 ASN A 86 -17.019 31.399 -13.695 1.00 0.00 O ATOM 1019 ND2 ASN A 86 -18.709 30.609 -12.537 1.00 0.00 N ATOM 0 H ASN A 86 -15.343 32.184 -11.008 1.00 0.00 H new ATOM 0 HA ASN A 86 -16.488 33.816 -13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.527 32.230 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.597 33.194 -11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.832 29.843 -13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.325 30.687 -11.728 1.00 0.00 H new ATOM 1026 N LYS A 87 -15.979 35.215 -10.251 1.00 0.00 N ATOM 1027 CA LYS A 87 -16.085 36.420 -9.409 1.00 0.00 C ATOM 1028 C LYS A 87 -14.853 37.319 -9.572 1.00 0.00 C ATOM 1029 O LYS A 87 -13.953 37.352 -8.737 1.00 0.00 O ATOM 1030 CB LYS A 87 -16.361 36.042 -7.939 1.00 0.00 C ATOM 1031 CG LYS A 87 -17.666 35.239 -7.782 1.00 0.00 C ATOM 1032 CD LYS A 87 -18.270 35.298 -6.371 1.00 0.00 C ATOM 1033 CE LYS A 87 -17.353 34.709 -5.292 1.00 0.00 C ATOM 1034 NZ LYS A 87 -17.987 34.785 -3.949 1.00 0.00 N ATOM 0 H LYS A 87 -15.296 34.549 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.940 37.005 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.527 35.456 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.419 36.949 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -18.399 35.614 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.473 34.198 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.492 36.336 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.217 34.759 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.125 33.670 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.406 35.249 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.345 34.380 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.182 35.779 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.879 34.250 -3.955 1.00 0.00 H new ATOM 1048 N ARG A 88 -14.826 38.059 -10.686 1.00 0.00 N ATOM 1049 CA ARG A 88 -13.705 38.912 -11.122 1.00 0.00 C ATOM 1050 C ARG A 88 -14.139 40.353 -11.381 1.00 0.00 C ATOM 1051 O ARG A 88 -15.263 40.586 -11.809 1.00 0.00 O ATOM 1052 CB ARG A 88 -13.111 38.329 -12.412 1.00 0.00 C ATOM 1053 CG ARG A 88 -12.440 36.964 -12.193 1.00 0.00 C ATOM 1054 CD ARG A 88 -11.864 36.401 -13.506 1.00 0.00 C ATOM 1055 NE ARG A 88 -10.881 37.317 -14.124 1.00 0.00 N ATOM 1056 CZ ARG A 88 -9.707 37.645 -13.615 1.00 0.00 C ATOM 1057 NH1 ARG A 88 -9.212 37.016 -12.594 1.00 0.00 N ATOM 1058 NH2 ARG A 88 -9.023 38.638 -14.106 1.00 0.00 N ATOM 0 H ARG A 88 -15.612 38.084 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.967 38.928 -10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.901 38.226 -13.156 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.380 39.028 -12.818 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.642 37.064 -11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.166 36.262 -11.782 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.389 35.440 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.677 36.217 -14.208 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.131 37.732 -15.022 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.732 36.249 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.303 37.288 -12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.393 39.172 -14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.118 38.882 -13.704 1.00 0.00 H new ATOM 1072 N LYS A 89 -13.196 41.298 -11.229 1.00 0.00 N ATOM 1073 CA LYS A 89 -13.363 42.753 -11.467 1.00 0.00 C ATOM 1074 C LYS A 89 -13.865 43.150 -12.873 1.00 0.00 C ATOM 1075 O LYS A 89 -14.177 44.312 -13.095 1.00 0.00 O ATOM 1076 CB LYS A 89 -12.060 43.517 -11.144 1.00 0.00 C ATOM 1077 CG LYS A 89 -11.588 43.415 -9.680 1.00 0.00 C ATOM 1078 CD LYS A 89 -10.498 44.469 -9.400 1.00 0.00 C ATOM 1079 CE LYS A 89 -9.993 44.485 -7.947 1.00 0.00 C ATOM 1080 NZ LYS A 89 -8.996 43.418 -7.669 1.00 0.00 N ATOM 0 H LYS A 89 -12.251 41.064 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.161 43.043 -10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.267 43.143 -11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.203 44.569 -11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.432 43.565 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.198 42.416 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.653 44.287 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.891 45.455 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.547 45.456 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.841 44.368 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.692 43.477 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.426 42.487 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.172 43.542 -8.292 1.00 0.00 H new ATOM 1094 N ARG A 90 -13.911 42.217 -13.831 1.00 0.00 N ATOM 1095 CA ARG A 90 -14.486 42.398 -15.173 1.00 0.00 C ATOM 1096 C ARG A 90 -14.951 41.037 -15.685 1.00 0.00 C ATOM 1097 O ARG A 90 -14.250 40.039 -15.497 1.00 0.00 O ATOM 1098 CB ARG A 90 -13.468 43.073 -16.122 1.00 0.00 C ATOM 1099 CG ARG A 90 -14.102 43.458 -17.474 1.00 0.00 C ATOM 1100 CD ARG A 90 -13.309 44.528 -18.246 1.00 0.00 C ATOM 1101 NE ARG A 90 -12.062 44.020 -18.862 1.00 0.00 N ATOM 1102 CZ ARG A 90 -11.064 44.759 -19.324 1.00 0.00 C ATOM 1103 NH1 ARG A 90 -11.057 46.058 -19.217 1.00 0.00 N ATOM 1104 NH2 ARG A 90 -10.042 44.206 -19.916 1.00 0.00 N ATOM 0 H ARG A 90 -13.535 41.279 -13.690 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.346 43.066 -15.131 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.064 43.966 -15.644 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.630 42.397 -16.294 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.188 42.565 -18.093 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.114 43.823 -17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.945 44.945 -19.027 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.061 45.344 -17.567 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.962 43.008 -18.938 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.837 46.537 -18.766 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.272 46.596 -19.584 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.004 43.193 -20.028 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.280 44.787 -20.267 1.00 0.00 H new ATOM 1118 N LYS A 91 -16.131 40.985 -16.309 1.00 0.00 N ATOM 1119 CA LYS A 91 -16.678 39.759 -16.904 1.00 0.00 C ATOM 1120 C LYS A 91 -15.787 39.313 -18.074 1.00 0.00 C ATOM 1121 O LYS A 91 -15.642 40.024 -19.061 1.00 0.00 O ATOM 1122 CB LYS A 91 -18.139 39.997 -17.335 1.00 0.00 C ATOM 1123 CG LYS A 91 -18.979 38.703 -17.415 1.00 0.00 C ATOM 1124 CD LYS A 91 -19.940 38.514 -16.223 1.00 0.00 C ATOM 1125 CE LYS A 91 -19.267 38.199 -14.875 1.00 0.00 C ATOM 1126 NZ LYS A 91 -19.121 36.737 -14.630 1.00 0.00 N ATOM 0 H LYS A 91 -16.739 41.797 -16.417 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.683 38.953 -16.171 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.610 40.683 -16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.147 40.486 -18.309 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -19.557 38.712 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.307 37.847 -17.468 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.534 39.421 -16.110 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.633 37.707 -16.461 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.283 38.667 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.853 38.641 -14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.573 36.584 -13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.062 36.307 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.626 36.298 -15.432 1.00 0.00 H new ATOM 1140 N THR A 92 -15.135 38.164 -17.917 1.00 0.00 N ATOM 1141 CA THR A 92 -14.334 37.521 -18.969 1.00 0.00 C ATOM 1142 C THR A 92 -15.251 36.876 -20.011 1.00 0.00 C ATOM 1143 O THR A 92 -16.210 36.205 -19.620 1.00 0.00 O ATOM 1144 CB THR A 92 -13.354 36.510 -18.347 1.00 0.00 C ATOM 1145 OG1 THR A 92 -12.481 35.988 -19.312 1.00 0.00 O ATOM 1146 CG2 THR A 92 -13.972 35.322 -17.608 1.00 0.00 C ATOM 0 H THR A 92 -15.145 37.640 -17.042 1.00 0.00 H new ATOM 0 HA THR A 92 -13.738 38.274 -19.485 1.00 0.00 H new ATOM 0 HB THR A 92 -12.841 37.114 -17.599 1.00 0.00 H new ATOM 0 HG1 THR A 92 -11.869 35.350 -18.889 1.00 0.00 H new ATOM 0 HG21 THR A 92 -13.179 34.685 -17.217 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.586 35.686 -16.784 1.00 0.00 H new ATOM 0 HG23 THR A 92 -14.592 34.748 -18.296 1.00 0.00 H new TER 1154 THR A 92 HETATM 1155 ZN ZN A 100 -8.406 18.140 -2.512 1.00 0.00 ZN