USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.559 (180deg=-1.23) USER MOD Single : A 14 GLN : amide:sc= -3.74! C(o=-3.7!,f=-4.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 150:sc= -1.11 USER MOD Single : A 19 SER OG : rot 78:sc= -0.155 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.035) USER MOD Single : A 24 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.0044) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -0.715 (180deg=-2.33!) USER MOD Single : A 33 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -0.129 (180deg=-1.83!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 160:sc= 0.0286 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0691) USER MOD Single : A 51 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.72) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0634) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -1.59 (180deg=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -4.9! C(o=-4.9!,f=-12!) USER MOD Single : A 66 HIS : no HD1:sc= -2.68! K(o=-2.7!,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 39:sc= 0.0805 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -0.0464 (180deg=-0.435) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.059 24.993 -8.264 1.00 0.00 N ATOM 2 CA GLY A 1 -26.934 25.451 -9.635 1.00 0.00 C ATOM 3 C GLY A 1 -28.092 25.002 -10.505 1.00 0.00 C ATOM 4 O GLY A 1 -29.183 25.567 -10.437 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.244 25.326 -7.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.935 25.371 -7.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.088 23.954 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.875 26.539 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.001 25.077 -10.056 1.00 0.00 H new ATOM 8 N SER A 2 -27.854 23.984 -11.325 1.00 0.00 N ATOM 9 CA SER A 2 -28.884 23.463 -12.216 1.00 0.00 C ATOM 10 C SER A 2 -29.351 22.084 -11.759 1.00 0.00 C ATOM 11 O SER A 2 -28.615 21.103 -11.858 1.00 0.00 O ATOM 12 CB SER A 2 -28.357 23.386 -13.650 1.00 0.00 C ATOM 13 OG SER A 2 -28.234 24.678 -14.218 1.00 0.00 O ATOM 0 H SER A 2 -26.957 23.503 -11.391 1.00 0.00 H new ATOM 0 HA SER A 2 -29.734 24.144 -12.185 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.387 22.888 -13.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.031 22.781 -14.257 1.00 0.00 H new ATOM 0 HG SER A 2 -27.894 24.602 -15.134 1.00 0.00 H new ATOM 19 N SER A 3 -30.581 22.019 -11.258 1.00 0.00 N ATOM 20 CA SER A 3 -31.146 20.762 -10.782 1.00 0.00 C ATOM 21 C SER A 3 -32.081 20.157 -11.825 1.00 0.00 C ATOM 22 O SER A 3 -33.033 20.798 -12.268 1.00 0.00 O ATOM 23 CB SER A 3 -31.902 20.983 -9.470 1.00 0.00 C ATOM 24 OG SER A 3 -32.086 19.761 -8.776 1.00 0.00 O ATOM 0 H SER A 3 -31.205 22.822 -11.171 1.00 0.00 H new ATOM 0 HA SER A 3 -30.325 20.066 -10.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.350 21.682 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.871 21.437 -9.677 1.00 0.00 H new ATOM 0 HG SER A 3 -32.570 19.929 -7.940 1.00 0.00 H new ATOM 30 N GLY A 4 -31.800 18.917 -12.214 1.00 0.00 N ATOM 31 CA GLY A 4 -32.624 18.245 -13.201 1.00 0.00 C ATOM 32 C GLY A 4 -33.736 17.429 -12.572 1.00 0.00 C ATOM 33 O GLY A 4 -33.493 16.352 -12.027 1.00 0.00 O ATOM 0 H GLY A 4 -31.016 18.366 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.057 18.986 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.997 17.592 -13.808 1.00 0.00 H new ATOM 37 N SER A 5 -34.959 17.944 -12.644 1.00 0.00 N ATOM 38 CA SER A 5 -36.112 17.258 -12.071 1.00 0.00 C ATOM 39 C SER A 5 -37.200 17.055 -13.121 1.00 0.00 C ATOM 40 O SER A 5 -37.800 15.984 -13.210 1.00 0.00 O ATOM 41 CB SER A 5 -36.670 18.054 -10.890 1.00 0.00 C ATOM 42 OG SER A 5 -37.211 19.291 -11.318 1.00 0.00 O ATOM 0 H SER A 5 -35.177 18.833 -13.093 1.00 0.00 H new ATOM 0 HA SER A 5 -35.784 16.280 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.441 17.471 -10.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.879 18.232 -10.162 1.00 0.00 H new ATOM 0 HG SER A 5 -37.562 19.779 -10.545 1.00 0.00 H new ATOM 48 N SER A 6 -37.449 18.092 -13.915 1.00 0.00 N ATOM 49 CA SER A 6 -38.467 18.030 -14.957 1.00 0.00 C ATOM 50 C SER A 6 -38.503 16.647 -15.600 1.00 0.00 C ATOM 51 O SER A 6 -39.567 16.050 -15.756 1.00 0.00 O ATOM 52 CB SER A 6 -38.201 19.094 -16.023 1.00 0.00 C ATOM 53 OG SER A 6 -38.109 20.384 -15.444 1.00 0.00 O ATOM 0 H SER A 6 -36.960 18.985 -13.856 1.00 0.00 H new ATOM 0 HA SER A 6 -39.436 18.222 -14.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.276 18.862 -16.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -39.001 19.080 -16.763 1.00 0.00 H new ATOM 0 HG SER A 6 -37.937 21.046 -16.146 1.00 0.00 H new ATOM 59 N GLY A 7 -37.329 16.144 -15.972 1.00 0.00 N ATOM 60 CA GLY A 7 -37.247 14.835 -16.594 1.00 0.00 C ATOM 61 C GLY A 7 -36.021 14.688 -17.474 1.00 0.00 C ATOM 62 O GLY A 7 -35.112 15.516 -17.429 1.00 0.00 O ATOM 0 H GLY A 7 -36.434 16.619 -15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -37.229 14.068 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -38.142 14.663 -17.191 1.00 0.00 H new ATOM 66 N LYS A 8 -35.994 13.628 -18.275 1.00 0.00 N ATOM 67 CA LYS A 8 -34.871 13.372 -19.168 1.00 0.00 C ATOM 68 C LYS A 8 -33.584 13.158 -18.377 1.00 0.00 C ATOM 69 O LYS A 8 -32.564 13.803 -18.618 1.00 0.00 O ATOM 70 CB LYS A 8 -34.693 14.538 -20.144 1.00 0.00 C ATOM 71 CG LYS A 8 -35.480 14.377 -21.433 1.00 0.00 C ATOM 72 CD LYS A 8 -35.240 15.540 -22.382 1.00 0.00 C ATOM 73 CE LYS A 8 -36.410 15.732 -23.335 1.00 0.00 C ATOM 74 NZ LYS A 8 -36.384 14.745 -24.450 1.00 0.00 N ATOM 0 H LYS A 8 -36.738 12.932 -18.324 1.00 0.00 H new ATOM 0 HA LYS A 8 -35.087 12.464 -19.731 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -35.000 15.462 -19.653 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -33.635 14.641 -20.385 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -35.196 13.444 -21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -36.543 14.306 -21.205 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -35.083 16.453 -21.808 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -34.329 15.363 -22.954 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -37.346 15.634 -22.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -36.384 16.742 -23.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -37.197 14.909 -25.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.502 14.855 -24.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -36.435 13.781 -24.062 1.00 0.00 H new ATOM 88 N PRO A 9 -33.631 12.229 -17.411 1.00 0.00 N ATOM 89 CA PRO A 9 -32.477 11.906 -16.567 1.00 0.00 C ATOM 90 C PRO A 9 -31.376 11.188 -17.340 1.00 0.00 C ATOM 91 O PRO A 9 -30.189 11.420 -17.108 1.00 0.00 O ATOM 92 CB PRO A 9 -33.067 10.984 -15.496 1.00 0.00 C ATOM 93 CG PRO A 9 -34.264 10.374 -16.140 1.00 0.00 C ATOM 94 CD PRO A 9 -34.813 11.421 -17.069 1.00 0.00 C ATOM 0 HA PRO A 9 -32.004 12.802 -16.164 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -32.350 10.222 -15.191 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -33.340 11.542 -14.600 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -33.995 9.470 -16.686 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -35.005 10.087 -15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -35.264 10.975 -17.955 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -35.584 12.022 -16.586 1.00 0.00 H new ATOM 102 N TYR A 10 -31.776 10.316 -18.258 1.00 0.00 N ATOM 103 CA TYR A 10 -30.823 9.563 -19.064 1.00 0.00 C ATOM 104 C TYR A 10 -30.135 10.467 -20.082 1.00 0.00 C ATOM 105 O TYR A 10 -30.788 11.233 -20.791 1.00 0.00 O ATOM 106 CB TYR A 10 -31.528 8.411 -19.783 1.00 0.00 C ATOM 107 CG TYR A 10 -32.249 7.465 -18.849 1.00 0.00 C ATOM 108 CD1 TYR A 10 -33.507 7.777 -18.348 1.00 0.00 C ATOM 109 CD2 TYR A 10 -31.671 6.261 -18.467 1.00 0.00 C ATOM 110 CE1 TYR A 10 -34.169 6.916 -17.494 1.00 0.00 C ATOM 111 CE2 TYR A 10 -32.327 5.393 -17.615 1.00 0.00 C ATOM 112 CZ TYR A 10 -33.575 5.725 -17.131 1.00 0.00 C ATOM 113 OH TYR A 10 -34.230 4.864 -16.280 1.00 0.00 O ATOM 0 H TYR A 10 -32.754 10.113 -18.463 1.00 0.00 H new ATOM 0 HA TYR A 10 -30.064 9.156 -18.396 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -32.244 8.822 -20.494 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -30.793 7.849 -20.359 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -33.975 8.708 -18.631 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.693 5.999 -18.842 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -35.146 7.174 -17.113 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -31.865 4.460 -17.330 1.00 0.00 H new ATOM 0 HH TYR A 10 -33.675 4.071 -16.126 1.00 0.00 H new ATOM 123 N LYS A 11 -28.811 10.372 -20.149 1.00 0.00 N ATOM 124 CA LYS A 11 -28.032 11.179 -21.080 1.00 0.00 C ATOM 125 C LYS A 11 -27.178 10.295 -21.983 1.00 0.00 C ATOM 126 O LYS A 11 -26.768 9.202 -21.591 1.00 0.00 O ATOM 127 CB LYS A 11 -27.139 12.159 -20.315 1.00 0.00 C ATOM 128 CG LYS A 11 -27.799 13.501 -20.047 1.00 0.00 C ATOM 129 CD LYS A 11 -28.871 13.391 -18.977 1.00 0.00 C ATOM 130 CE LYS A 11 -28.310 13.682 -17.593 1.00 0.00 C ATOM 131 NZ LYS A 11 -27.399 12.601 -17.126 1.00 0.00 N ATOM 0 H LYS A 11 -28.255 9.744 -19.569 1.00 0.00 H new ATOM 0 HA LYS A 11 -28.727 11.742 -21.704 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -26.851 11.709 -19.365 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -26.222 12.321 -20.882 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -27.044 14.223 -19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -28.241 13.881 -20.968 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -29.679 14.089 -19.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -29.301 12.390 -18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -27.771 14.629 -17.611 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -29.131 13.796 -16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -27.294 12.658 -16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -27.798 11.676 -17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -26.468 12.713 -17.576 1.00 0.00 H new ATOM 145 N CYS A 12 -26.911 10.775 -23.193 1.00 0.00 N ATOM 146 CA CYS A 12 -26.104 10.029 -24.151 1.00 0.00 C ATOM 147 C CYS A 12 -24.616 10.209 -23.866 1.00 0.00 C ATOM 148 O CYS A 12 -24.081 11.317 -23.900 1.00 0.00 O ATOM 149 CB CYS A 12 -26.419 10.483 -25.578 1.00 0.00 C ATOM 150 SG CYS A 12 -25.566 9.523 -26.869 1.00 0.00 S ATOM 0 H CYS A 12 -27.242 11.678 -23.533 1.00 0.00 H new ATOM 0 HA CYS A 12 -26.350 8.972 -24.050 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -27.495 10.415 -25.740 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -26.147 11.533 -25.682 1.00 0.00 H new ATOM 155 N PRO A 13 -23.930 9.093 -23.577 1.00 0.00 N ATOM 156 CA PRO A 13 -22.494 9.101 -23.280 1.00 0.00 C ATOM 157 C PRO A 13 -21.650 9.418 -24.510 1.00 0.00 C ATOM 158 O PRO A 13 -20.422 9.458 -24.437 1.00 0.00 O ATOM 159 CB PRO A 13 -22.223 7.673 -22.800 1.00 0.00 C ATOM 160 CG PRO A 13 -23.292 6.851 -23.435 1.00 0.00 C ATOM 161 CD PRO A 13 -24.503 7.738 -23.518 1.00 0.00 C ATOM 0 HA PRO A 13 -22.233 9.867 -22.550 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.232 7.335 -23.102 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.265 7.606 -21.713 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.988 6.513 -24.425 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.501 5.959 -22.844 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -25.103 7.517 -24.400 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.152 7.614 -22.651 1.00 0.00 H new ATOM 169 N GLN A 14 -22.317 9.644 -25.637 1.00 0.00 N ATOM 170 CA GLN A 14 -21.626 9.958 -26.883 1.00 0.00 C ATOM 171 C GLN A 14 -21.899 11.397 -27.308 1.00 0.00 C ATOM 172 O GLN A 14 -21.026 12.068 -27.859 1.00 0.00 O ATOM 173 CB GLN A 14 -22.062 8.995 -27.989 1.00 0.00 C ATOM 174 CG GLN A 14 -21.773 7.536 -27.674 1.00 0.00 C ATOM 175 CD GLN A 14 -21.486 6.717 -28.917 1.00 0.00 C ATOM 176 OE1 GLN A 14 -20.928 7.221 -29.892 1.00 0.00 O ATOM 177 NE2 GLN A 14 -21.869 5.446 -28.890 1.00 0.00 N ATOM 0 H GLN A 14 -23.334 9.616 -25.714 1.00 0.00 H new ATOM 0 HA GLN A 14 -20.555 9.845 -26.714 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -23.131 9.116 -28.164 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -21.555 9.265 -28.915 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -20.919 7.476 -26.999 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -22.626 7.106 -27.149 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -22.328 5.069 -28.061 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -21.704 4.846 -29.698 1.00 0.00 H new ATOM 186 N CYS A 15 -23.115 11.865 -27.050 1.00 0.00 N ATOM 187 CA CYS A 15 -23.504 13.224 -27.406 1.00 0.00 C ATOM 188 C CYS A 15 -24.265 13.890 -26.263 1.00 0.00 C ATOM 189 O CYS A 15 -24.395 13.324 -25.178 1.00 0.00 O ATOM 190 CB CYS A 15 -24.366 13.215 -28.670 1.00 0.00 C ATOM 191 SG CYS A 15 -26.135 12.909 -28.362 1.00 0.00 S ATOM 0 H CYS A 15 -23.849 11.322 -26.595 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.596 13.797 -27.597 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -24.257 14.173 -29.178 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -23.989 12.450 -29.349 1.00 0.00 H new ATOM 196 N SER A 16 -24.765 15.095 -26.516 1.00 0.00 N ATOM 197 CA SER A 16 -25.510 15.840 -25.507 1.00 0.00 C ATOM 198 C SER A 16 -26.999 15.514 -25.581 1.00 0.00 C ATOM 199 O SER A 16 -27.846 16.383 -25.373 1.00 0.00 O ATOM 200 CB SER A 16 -25.295 17.344 -25.692 1.00 0.00 C ATOM 201 OG SER A 16 -23.916 17.667 -25.684 1.00 0.00 O ATOM 0 H SER A 16 -24.668 15.576 -27.410 1.00 0.00 H new ATOM 0 HA SER A 16 -25.140 15.545 -24.525 1.00 0.00 H new ATOM 0 HB2 SER A 16 -25.741 17.665 -26.633 1.00 0.00 H new ATOM 0 HB3 SER A 16 -25.804 17.888 -24.896 1.00 0.00 H new ATOM 0 HG SER A 16 -23.806 18.633 -25.806 1.00 0.00 H new ATOM 207 N TYR A 17 -27.308 14.257 -25.877 1.00 0.00 N ATOM 208 CA TYR A 17 -28.694 13.816 -25.981 1.00 0.00 C ATOM 209 C TYR A 17 -29.219 13.346 -24.627 1.00 0.00 C ATOM 210 O TYR A 17 -28.448 12.949 -23.754 1.00 0.00 O ATOM 211 CB TYR A 17 -28.817 12.688 -27.007 1.00 0.00 C ATOM 212 CG TYR A 17 -30.158 11.990 -26.982 1.00 0.00 C ATOM 213 CD1 TYR A 17 -31.258 12.533 -27.635 1.00 0.00 C ATOM 214 CD2 TYR A 17 -30.326 10.788 -26.305 1.00 0.00 C ATOM 215 CE1 TYR A 17 -32.485 11.900 -27.615 1.00 0.00 C ATOM 216 CE2 TYR A 17 -31.549 10.147 -26.281 1.00 0.00 C ATOM 217 CZ TYR A 17 -32.626 10.707 -26.937 1.00 0.00 C ATOM 218 OH TYR A 17 -33.846 10.072 -26.914 1.00 0.00 O ATOM 0 H TYR A 17 -26.618 13.526 -26.049 1.00 0.00 H new ATOM 0 HA TYR A 17 -29.295 14.664 -26.309 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -28.647 13.095 -28.004 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -28.032 11.955 -26.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -31.151 13.467 -28.167 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -29.486 10.348 -25.789 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -33.330 12.337 -28.127 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -31.662 9.212 -25.752 1.00 0.00 H new ATOM 0 HH TYR A 17 -33.710 9.104 -26.847 1.00 0.00 H new ATOM 228 N ALA A 18 -30.537 13.395 -24.462 1.00 0.00 N ATOM 229 CA ALA A 18 -31.167 12.973 -23.217 1.00 0.00 C ATOM 230 C ALA A 18 -32.552 12.388 -23.473 1.00 0.00 C ATOM 231 O ALA A 18 -33.318 12.914 -24.280 1.00 0.00 O ATOM 232 CB ALA A 18 -31.256 14.142 -22.248 1.00 0.00 C ATOM 0 H ALA A 18 -31.189 13.723 -25.175 1.00 0.00 H new ATOM 0 HA ALA A 18 -30.549 12.193 -22.772 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -31.729 13.812 -21.323 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -30.254 14.512 -22.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -31.849 14.940 -22.694 1.00 0.00 H new ATOM 238 N SER A 19 -32.866 11.298 -22.781 1.00 0.00 N ATOM 239 CA SER A 19 -34.158 10.639 -22.937 1.00 0.00 C ATOM 240 C SER A 19 -34.801 10.375 -21.579 1.00 0.00 C ATOM 241 O SER A 19 -34.119 10.333 -20.555 1.00 0.00 O ATOM 242 CB SER A 19 -33.994 9.324 -23.701 1.00 0.00 C ATOM 243 OG SER A 19 -32.791 8.670 -23.339 1.00 0.00 O ATOM 0 H SER A 19 -32.244 10.852 -22.107 1.00 0.00 H new ATOM 0 HA SER A 19 -34.810 11.302 -23.505 1.00 0.00 H new ATOM 0 HB2 SER A 19 -34.842 8.672 -23.494 1.00 0.00 H new ATOM 0 HB3 SER A 19 -33.996 9.520 -24.773 1.00 0.00 H new ATOM 0 HG SER A 19 -32.908 8.225 -22.473 1.00 0.00 H new ATOM 249 N ALA A 20 -36.118 10.198 -21.579 1.00 0.00 N ATOM 250 CA ALA A 20 -36.853 9.936 -20.349 1.00 0.00 C ATOM 251 C ALA A 20 -36.969 8.438 -20.087 1.00 0.00 C ATOM 252 O ALA A 20 -36.904 7.992 -18.941 1.00 0.00 O ATOM 253 CB ALA A 20 -38.235 10.570 -20.414 1.00 0.00 C ATOM 0 H ALA A 20 -36.698 10.231 -22.418 1.00 0.00 H new ATOM 0 HA ALA A 20 -36.299 10.382 -19.523 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -38.773 10.366 -19.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -38.135 11.647 -20.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -38.788 10.151 -21.255 1.00 0.00 H new ATOM 259 N ILE A 21 -37.141 7.667 -21.155 1.00 0.00 N ATOM 260 CA ILE A 21 -37.266 6.219 -21.039 1.00 0.00 C ATOM 261 C ILE A 21 -35.916 5.535 -21.227 1.00 0.00 C ATOM 262 O ILE A 21 -35.126 5.920 -22.089 1.00 0.00 O ATOM 263 CB ILE A 21 -38.262 5.655 -22.069 1.00 0.00 C ATOM 264 CG1 ILE A 21 -39.681 6.132 -21.753 1.00 0.00 C ATOM 265 CG2 ILE A 21 -38.201 4.135 -22.089 1.00 0.00 C ATOM 266 CD1 ILE A 21 -40.057 7.419 -22.454 1.00 0.00 C ATOM 0 H ILE A 21 -37.197 8.020 -22.110 1.00 0.00 H new ATOM 0 HA ILE A 21 -37.639 6.014 -20.036 1.00 0.00 H new ATOM 0 HB ILE A 21 -37.986 6.023 -23.057 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -40.389 5.353 -22.037 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -39.777 6.273 -20.676 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -38.911 3.752 -22.822 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -37.194 3.815 -22.357 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -38.454 3.748 -21.102 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -41.076 7.697 -22.183 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -39.372 8.211 -22.152 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -39.994 7.277 -23.533 1.00 0.00 H new ATOM 278 N LYS A 22 -35.658 4.515 -20.416 1.00 0.00 N ATOM 279 CA LYS A 22 -34.405 3.772 -20.493 1.00 0.00 C ATOM 280 C LYS A 22 -34.195 3.205 -21.893 1.00 0.00 C ATOM 281 O LYS A 22 -33.073 3.171 -22.398 1.00 0.00 O ATOM 282 CB LYS A 22 -34.395 2.639 -19.465 1.00 0.00 C ATOM 283 CG LYS A 22 -33.251 1.658 -19.652 1.00 0.00 C ATOM 284 CD LYS A 22 -31.937 2.231 -19.150 1.00 0.00 C ATOM 285 CE LYS A 22 -30.829 1.189 -19.176 1.00 0.00 C ATOM 286 NZ LYS A 22 -30.983 0.187 -18.085 1.00 0.00 N ATOM 0 H LYS A 22 -36.301 4.183 -19.697 1.00 0.00 H new ATOM 0 HA LYS A 22 -33.589 4.460 -20.272 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -34.335 3.068 -18.465 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -35.340 2.098 -19.524 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -33.473 0.733 -19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -33.158 1.403 -20.708 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -31.651 3.083 -19.767 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -32.065 2.602 -18.133 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -30.832 0.680 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -29.863 1.684 -19.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -30.156 -0.444 -18.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -31.057 0.678 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -31.844 -0.373 -18.247 1.00 0.00 H new ATOM 300 N ALA A 23 -35.282 2.760 -22.516 1.00 0.00 N ATOM 301 CA ALA A 23 -35.216 2.197 -23.859 1.00 0.00 C ATOM 302 C ALA A 23 -34.881 3.270 -24.888 1.00 0.00 C ATOM 303 O ALA A 23 -34.124 3.028 -25.828 1.00 0.00 O ATOM 304 CB ALA A 23 -36.532 1.518 -24.211 1.00 0.00 C ATOM 0 H ALA A 23 -36.218 2.779 -22.112 1.00 0.00 H new ATOM 0 HA ALA A 23 -34.419 1.453 -23.876 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -36.469 1.102 -25.216 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -36.730 0.717 -23.499 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -37.340 2.248 -24.170 1.00 0.00 H new ATOM 310 N ASN A 24 -35.449 4.458 -24.705 1.00 0.00 N ATOM 311 CA ASN A 24 -35.210 5.569 -25.620 1.00 0.00 C ATOM 312 C ASN A 24 -33.716 5.766 -25.858 1.00 0.00 C ATOM 313 O ASN A 24 -33.254 5.771 -27.000 1.00 0.00 O ATOM 314 CB ASN A 24 -35.823 6.855 -25.063 1.00 0.00 C ATOM 315 CG ASN A 24 -37.258 7.053 -25.513 1.00 0.00 C ATOM 316 OD1 ASN A 24 -38.084 6.146 -25.409 1.00 0.00 O ATOM 317 ND2 ASN A 24 -37.561 8.244 -26.016 1.00 0.00 N ATOM 0 H ASN A 24 -36.078 4.676 -23.932 1.00 0.00 H new ATOM 0 HA ASN A 24 -35.683 5.331 -26.573 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -35.787 6.830 -23.974 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -35.224 7.708 -25.382 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -38.511 8.436 -26.335 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -36.844 8.967 -26.083 1.00 0.00 H new ATOM 324 N LEU A 25 -32.966 5.927 -24.773 1.00 0.00 N ATOM 325 CA LEU A 25 -31.523 6.124 -24.863 1.00 0.00 C ATOM 326 C LEU A 25 -30.891 5.097 -25.798 1.00 0.00 C ATOM 327 O LEU A 25 -30.012 5.427 -26.594 1.00 0.00 O ATOM 328 CB LEU A 25 -30.888 6.026 -23.475 1.00 0.00 C ATOM 329 CG LEU A 25 -29.382 6.283 -23.407 1.00 0.00 C ATOM 330 CD1 LEU A 25 -29.039 7.621 -24.043 1.00 0.00 C ATOM 331 CD2 LEU A 25 -28.898 6.236 -21.965 1.00 0.00 C ATOM 0 H LEU A 25 -33.333 5.925 -23.821 1.00 0.00 H new ATOM 0 HA LEU A 25 -31.341 7.119 -25.270 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -31.388 6.737 -22.818 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -31.085 5.031 -23.077 1.00 0.00 H new ATOM 0 HG LEU A 25 -28.873 5.498 -23.966 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -27.963 7.786 -23.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -29.350 7.618 -25.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -29.558 8.420 -23.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -27.824 6.421 -21.935 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -29.414 7.000 -21.383 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -29.109 5.254 -21.542 1.00 0.00 H new ATOM 343 N ASN A 26 -31.346 3.853 -25.696 1.00 0.00 N ATOM 344 CA ASN A 26 -30.826 2.778 -26.534 1.00 0.00 C ATOM 345 C ASN A 26 -31.104 3.054 -28.008 1.00 0.00 C ATOM 346 O ASN A 26 -30.200 3.005 -28.842 1.00 0.00 O ATOM 347 CB ASN A 26 -31.447 1.440 -26.127 1.00 0.00 C ATOM 348 CG ASN A 26 -30.883 0.914 -24.821 1.00 0.00 C ATOM 349 OD1 ASN A 26 -30.171 -0.090 -24.800 1.00 0.00 O ATOM 350 ND2 ASN A 26 -31.201 1.591 -23.724 1.00 0.00 N ATOM 0 H ASN A 26 -32.073 3.564 -25.042 1.00 0.00 H new ATOM 0 HA ASN A 26 -29.747 2.728 -26.390 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -32.526 1.557 -26.032 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -31.274 0.708 -26.915 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -30.852 1.284 -22.816 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -31.794 2.418 -23.789 1.00 0.00 H new ATOM 357 N VAL A 27 -32.363 3.345 -28.323 1.00 0.00 N ATOM 358 CA VAL A 27 -32.761 3.630 -29.696 1.00 0.00 C ATOM 359 C VAL A 27 -32.030 4.853 -30.237 1.00 0.00 C ATOM 360 O VAL A 27 -31.906 5.030 -31.450 1.00 0.00 O ATOM 361 CB VAL A 27 -34.280 3.865 -29.802 1.00 0.00 C ATOM 362 CG1 VAL A 27 -34.626 5.299 -29.430 1.00 0.00 C ATOM 363 CG2 VAL A 27 -34.773 3.536 -31.203 1.00 0.00 C ATOM 0 H VAL A 27 -33.124 3.389 -27.645 1.00 0.00 H new ATOM 0 HA VAL A 27 -32.493 2.757 -30.291 1.00 0.00 H new ATOM 0 HB VAL A 27 -34.783 3.201 -29.099 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -35.703 5.446 -29.511 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -34.309 5.496 -28.406 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -34.115 5.984 -30.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -35.848 3.708 -31.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -34.265 4.173 -31.927 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -34.560 2.491 -31.428 1.00 0.00 H new ATOM 373 N HIS A 28 -31.546 5.696 -29.330 1.00 0.00 N ATOM 374 CA HIS A 28 -30.825 6.904 -29.717 1.00 0.00 C ATOM 375 C HIS A 28 -29.344 6.606 -29.936 1.00 0.00 C ATOM 376 O HIS A 28 -28.654 7.331 -30.653 1.00 0.00 O ATOM 377 CB HIS A 28 -30.986 7.984 -28.647 1.00 0.00 C ATOM 378 CG HIS A 28 -30.096 9.171 -28.855 1.00 0.00 C ATOM 379 ND1 HIS A 28 -30.512 10.323 -29.488 1.00 0.00 N ATOM 380 CD2 HIS A 28 -28.804 9.380 -28.507 1.00 0.00 C ATOM 381 CE1 HIS A 28 -29.515 11.188 -29.522 1.00 0.00 C ATOM 382 NE2 HIS A 28 -28.467 10.641 -28.933 1.00 0.00 N ATOM 0 H HIS A 28 -31.640 5.565 -28.323 1.00 0.00 H new ATOM 0 HA HIS A 28 -31.248 7.265 -30.654 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -32.024 8.317 -28.632 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -30.776 7.550 -27.670 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -31.444 10.482 -29.870 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -28.159 8.684 -27.991 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -29.550 12.176 -29.958 1.00 0.00 H new ATOM 390 N LEU A 29 -28.863 5.535 -29.314 1.00 0.00 N ATOM 391 CA LEU A 29 -27.464 5.141 -29.441 1.00 0.00 C ATOM 392 C LEU A 29 -27.242 4.321 -30.708 1.00 0.00 C ATOM 393 O LEU A 29 -26.129 4.257 -31.230 1.00 0.00 O ATOM 394 CB LEU A 29 -27.028 4.336 -28.215 1.00 0.00 C ATOM 395 CG LEU A 29 -26.924 5.115 -26.903 1.00 0.00 C ATOM 396 CD1 LEU A 29 -27.165 4.195 -25.716 1.00 0.00 C ATOM 397 CD2 LEU A 29 -25.565 5.790 -26.790 1.00 0.00 C ATOM 0 H LEU A 29 -29.421 4.924 -28.717 1.00 0.00 H new ATOM 0 HA LEU A 29 -26.861 6.047 -29.507 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -27.733 3.517 -28.073 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -26.057 3.888 -28.426 1.00 0.00 H new ATOM 0 HG LEU A 29 -27.692 5.888 -26.899 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -27.087 4.766 -24.791 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -28.161 3.759 -25.790 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -26.420 3.400 -25.715 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -25.509 6.340 -25.850 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.780 5.034 -26.816 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -25.431 6.480 -27.623 1.00 0.00 H new ATOM 409 N ARG A 30 -28.309 3.698 -31.197 1.00 0.00 N ATOM 410 CA ARG A 30 -28.230 2.883 -32.404 1.00 0.00 C ATOM 411 C ARG A 30 -27.372 3.564 -33.466 1.00 0.00 C ATOM 412 O ARG A 30 -26.434 2.970 -33.997 1.00 0.00 O ATOM 413 CB ARG A 30 -29.631 2.617 -32.958 1.00 0.00 C ATOM 414 CG ARG A 30 -30.681 2.399 -31.880 1.00 0.00 C ATOM 415 CD ARG A 30 -30.322 1.224 -30.984 1.00 0.00 C ATOM 416 NE ARG A 30 -30.668 -0.057 -31.594 1.00 0.00 N ATOM 417 CZ ARG A 30 -30.912 -1.161 -30.898 1.00 0.00 C ATOM 418 NH1 ARG A 30 -30.848 -1.141 -29.574 1.00 0.00 N ATOM 419 NH2 ARG A 30 -31.221 -2.288 -31.526 1.00 0.00 N ATOM 0 H ARG A 30 -29.237 3.742 -30.777 1.00 0.00 H new ATOM 0 HA ARG A 30 -27.764 1.933 -32.140 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -29.932 3.459 -33.581 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -29.597 1.739 -33.603 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -30.778 3.302 -31.277 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -31.650 2.221 -32.345 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -29.254 1.246 -30.769 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -30.841 1.323 -30.031 1.00 0.00 H new ATOM 0 HE ARG A 30 -30.725 -0.106 -32.611 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -30.611 -0.276 -29.088 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -31.036 -1.990 -29.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -31.271 -2.307 -32.545 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -31.408 -3.136 -30.990 1.00 0.00 H new ATOM 433 N LYS A 31 -27.701 4.815 -33.771 1.00 0.00 N ATOM 434 CA LYS A 31 -26.961 5.580 -34.768 1.00 0.00 C ATOM 435 C LYS A 31 -25.530 5.835 -34.307 1.00 0.00 C ATOM 436 O LYS A 31 -24.638 6.072 -35.121 1.00 0.00 O ATOM 437 CB LYS A 31 -27.665 6.910 -35.045 1.00 0.00 C ATOM 438 CG LYS A 31 -27.479 7.938 -33.942 1.00 0.00 C ATOM 439 CD LYS A 31 -28.607 8.956 -33.932 1.00 0.00 C ATOM 440 CE LYS A 31 -29.873 8.380 -33.317 1.00 0.00 C ATOM 441 NZ LYS A 31 -30.769 7.786 -34.348 1.00 0.00 N ATOM 0 H LYS A 31 -28.476 5.321 -33.342 1.00 0.00 H new ATOM 0 HA LYS A 31 -26.928 4.995 -35.687 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -27.289 7.322 -35.981 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -28.730 6.726 -35.183 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -27.435 7.433 -32.977 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -26.527 8.450 -34.078 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -28.298 9.838 -33.371 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -28.813 9.283 -34.951 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -29.607 7.618 -32.584 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -30.406 9.165 -32.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -31.740 8.128 -34.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -30.442 8.065 -35.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -30.751 6.749 -34.268 1.00 0.00 H new ATOM 455 N HIS A 32 -25.318 5.785 -32.995 1.00 0.00 N ATOM 456 CA HIS A 32 -23.994 6.009 -32.426 1.00 0.00 C ATOM 457 C HIS A 32 -23.155 4.736 -32.485 1.00 0.00 C ATOM 458 O HIS A 32 -22.216 4.561 -31.707 1.00 0.00 O ATOM 459 CB HIS A 32 -24.112 6.489 -30.979 1.00 0.00 C ATOM 460 CG HIS A 32 -24.439 7.945 -30.856 1.00 0.00 C ATOM 461 ND1 HIS A 32 -23.763 8.929 -31.548 1.00 0.00 N ATOM 462 CD2 HIS A 32 -25.377 8.583 -30.118 1.00 0.00 C ATOM 463 CE1 HIS A 32 -24.270 10.109 -31.238 1.00 0.00 C ATOM 464 NE2 HIS A 32 -25.251 9.927 -30.372 1.00 0.00 N ATOM 0 H HIS A 32 -26.046 5.591 -32.307 1.00 0.00 H new ATOM 0 HA HIS A 32 -23.497 6.779 -33.017 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -24.883 5.908 -30.474 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -23.173 6.291 -30.461 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -22.992 8.770 -32.197 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -26.092 8.121 -29.453 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -23.939 11.061 -31.627 1.00 0.00 H new ATOM 472 N THR A 33 -23.499 3.848 -33.412 1.00 0.00 N ATOM 473 CA THR A 33 -22.780 2.590 -33.572 1.00 0.00 C ATOM 474 C THR A 33 -21.697 2.708 -34.638 1.00 0.00 C ATOM 475 O THR A 33 -21.525 3.762 -35.248 1.00 0.00 O ATOM 476 CB THR A 33 -23.733 1.441 -33.949 1.00 0.00 C ATOM 477 OG1 THR A 33 -24.492 1.795 -35.111 1.00 0.00 O ATOM 478 CG2 THR A 33 -24.677 1.121 -32.799 1.00 0.00 C ATOM 0 H THR A 33 -24.272 3.977 -34.064 1.00 0.00 H new ATOM 0 HA THR A 33 -22.317 2.366 -32.611 1.00 0.00 H new ATOM 0 HB THR A 33 -23.133 0.556 -34.163 1.00 0.00 H new ATOM 0 HG1 THR A 33 -25.205 2.418 -34.859 1.00 0.00 H new ATOM 0 HG21 THR A 33 -25.341 0.306 -33.089 1.00 0.00 H new ATOM 0 HG22 THR A 33 -24.098 0.824 -31.925 1.00 0.00 H new ATOM 0 HG23 THR A 33 -25.270 2.004 -32.558 1.00 0.00 H new ATOM 486 N GLY A 34 -20.969 1.618 -34.859 1.00 0.00 N ATOM 487 CA GLY A 34 -19.912 1.620 -35.853 1.00 0.00 C ATOM 488 C GLY A 34 -18.712 0.797 -35.427 1.00 0.00 C ATOM 489 O GLY A 34 -18.834 -0.400 -35.167 1.00 0.00 O ATOM 0 H GLY A 34 -21.093 0.733 -34.367 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.301 1.229 -36.793 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.596 2.646 -36.041 1.00 0.00 H new ATOM 493 N GLU A 35 -17.551 1.439 -35.355 1.00 0.00 N ATOM 494 CA GLU A 35 -16.324 0.757 -34.959 1.00 0.00 C ATOM 495 C GLU A 35 -16.160 0.769 -33.442 1.00 0.00 C ATOM 496 O GLU A 35 -16.436 1.773 -32.784 1.00 0.00 O ATOM 497 CB GLU A 35 -15.112 1.417 -35.620 1.00 0.00 C ATOM 498 CG GLU A 35 -14.906 1.001 -37.067 1.00 0.00 C ATOM 499 CD GLU A 35 -14.177 2.055 -37.878 1.00 0.00 C ATOM 500 OE1 GLU A 35 -14.704 3.179 -38.002 1.00 0.00 O ATOM 501 OE2 GLU A 35 -13.077 1.753 -38.388 1.00 0.00 O ATOM 0 H GLU A 35 -17.434 2.430 -35.566 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.391 -0.279 -35.291 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.229 2.500 -35.575 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.217 1.169 -35.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.341 0.070 -37.097 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.875 0.801 -37.525 1.00 0.00 H new ATOM 508 N LYS A 36 -15.710 -0.353 -32.893 1.00 0.00 N ATOM 509 CA LYS A 36 -15.507 -0.474 -31.454 1.00 0.00 C ATOM 510 C LYS A 36 -14.021 -0.525 -31.116 1.00 0.00 C ATOM 511 O LYS A 36 -13.382 -1.570 -31.240 1.00 0.00 O ATOM 512 CB LYS A 36 -16.205 -1.728 -30.923 1.00 0.00 C ATOM 513 CG LYS A 36 -17.689 -1.534 -30.663 1.00 0.00 C ATOM 514 CD LYS A 36 -18.168 -2.390 -29.502 1.00 0.00 C ATOM 515 CE LYS A 36 -19.682 -2.348 -29.366 1.00 0.00 C ATOM 516 NZ LYS A 36 -20.126 -1.271 -28.438 1.00 0.00 N ATOM 0 H LYS A 36 -15.478 -1.193 -33.423 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.940 0.405 -30.977 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.073 -2.538 -31.640 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.720 -2.039 -29.998 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.888 -0.484 -30.448 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.253 -1.788 -31.561 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.843 -3.420 -29.650 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.709 -2.041 -28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -20.130 -2.190 -30.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.041 -3.311 -29.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.006 -0.846 -28.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.294 -1.674 -27.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.389 -0.540 -28.377 1.00 0.00 H new ATOM 530 N PHE A 37 -13.476 0.609 -30.688 1.00 0.00 N ATOM 531 CA PHE A 37 -12.065 0.692 -30.331 1.00 0.00 C ATOM 532 C PHE A 37 -11.847 0.293 -28.874 1.00 0.00 C ATOM 533 O PHE A 37 -11.846 1.140 -27.981 1.00 0.00 O ATOM 534 CB PHE A 37 -11.541 2.111 -30.567 1.00 0.00 C ATOM 535 CG PHE A 37 -12.184 2.801 -31.735 1.00 0.00 C ATOM 536 CD1 PHE A 37 -11.834 2.466 -33.033 1.00 0.00 C ATOM 537 CD2 PHE A 37 -13.139 3.785 -31.536 1.00 0.00 C ATOM 538 CE1 PHE A 37 -12.423 3.100 -34.110 1.00 0.00 C ATOM 539 CE2 PHE A 37 -13.733 4.422 -32.609 1.00 0.00 C ATOM 540 CZ PHE A 37 -13.375 4.078 -33.898 1.00 0.00 C ATOM 0 H PHE A 37 -13.990 1.483 -30.580 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.514 -0.003 -30.965 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.707 2.705 -29.668 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.464 2.070 -30.728 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.092 1.700 -33.205 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.423 4.057 -30.530 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.139 2.831 -35.117 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.476 5.187 -32.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.839 4.573 -34.739 1.00 0.00 H new ATOM 550 N ALA A 38 -11.664 -1.003 -28.643 1.00 0.00 N ATOM 551 CA ALA A 38 -11.444 -1.515 -27.297 1.00 0.00 C ATOM 552 C ALA A 38 -10.209 -0.883 -26.664 1.00 0.00 C ATOM 553 O ALA A 38 -9.180 -0.715 -27.319 1.00 0.00 O ATOM 554 CB ALA A 38 -11.308 -3.030 -27.324 1.00 0.00 C ATOM 0 H ALA A 38 -11.664 -1.717 -29.371 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.309 -1.249 -26.689 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.144 -3.399 -26.311 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.220 -3.470 -27.727 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.462 -3.308 -27.953 1.00 0.00 H new ATOM 560 N CYS A 39 -10.318 -0.532 -25.387 1.00 0.00 N ATOM 561 CA CYS A 39 -9.211 0.083 -24.665 1.00 0.00 C ATOM 562 C CYS A 39 -8.006 -0.852 -24.617 1.00 0.00 C ATOM 563 O CYS A 39 -8.145 -2.048 -24.357 1.00 0.00 O ATOM 564 CB CYS A 39 -9.642 0.449 -23.243 1.00 0.00 C ATOM 565 SG CYS A 39 -8.341 1.256 -22.256 1.00 0.00 S ATOM 0 H CYS A 39 -11.163 -0.663 -24.831 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.924 0.991 -25.196 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.506 1.111 -23.296 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.965 -0.456 -22.728 1.00 0.00 H new ATOM 570 N ASP A 40 -6.825 -0.299 -24.870 1.00 0.00 N ATOM 571 CA ASP A 40 -5.595 -1.083 -24.855 1.00 0.00 C ATOM 572 C ASP A 40 -5.074 -1.250 -23.430 1.00 0.00 C ATOM 573 O ASP A 40 -3.920 -1.623 -23.220 1.00 0.00 O ATOM 574 CB ASP A 40 -4.529 -0.416 -25.725 1.00 0.00 C ATOM 575 CG ASP A 40 -3.456 -1.388 -26.174 1.00 0.00 C ATOM 576 OD1 ASP A 40 -3.807 -2.418 -26.787 1.00 0.00 O ATOM 577 OD2 ASP A 40 -2.265 -1.119 -25.914 1.00 0.00 O ATOM 0 H ASP A 40 -6.693 0.689 -25.088 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.818 -2.070 -25.260 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.004 0.026 -26.601 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.067 0.399 -25.167 1.00 0.00 H new ATOM 582 N TYR A 41 -5.933 -0.971 -22.456 1.00 0.00 N ATOM 583 CA TYR A 41 -5.559 -1.086 -21.051 1.00 0.00 C ATOM 584 C TYR A 41 -6.548 -1.969 -20.295 1.00 0.00 C ATOM 585 O TYR A 41 -6.163 -2.739 -19.415 1.00 0.00 O ATOM 586 CB TYR A 41 -5.494 0.298 -20.403 1.00 0.00 C ATOM 587 CG TYR A 41 -4.491 1.224 -21.053 1.00 0.00 C ATOM 588 CD1 TYR A 41 -4.608 1.579 -22.391 1.00 0.00 C ATOM 589 CD2 TYR A 41 -3.426 1.745 -20.328 1.00 0.00 C ATOM 590 CE1 TYR A 41 -3.693 2.424 -22.989 1.00 0.00 C ATOM 591 CE2 TYR A 41 -2.508 2.592 -20.917 1.00 0.00 C ATOM 592 CZ TYR A 41 -2.645 2.928 -22.247 1.00 0.00 C ATOM 593 OH TYR A 41 -1.733 3.772 -22.839 1.00 0.00 O ATOM 0 H TYR A 41 -6.893 -0.664 -22.613 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.574 -1.549 -21.000 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.482 0.757 -20.447 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.242 0.185 -19.349 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.429 1.188 -22.974 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.314 1.483 -19.286 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.798 2.688 -24.031 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.687 2.989 -20.339 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.058 4.039 -22.180 1.00 0.00 H new ATOM 603 N CYS A 42 -7.824 -1.850 -20.646 1.00 0.00 N ATOM 604 CA CYS A 42 -8.870 -2.636 -20.002 1.00 0.00 C ATOM 605 C CYS A 42 -9.867 -3.161 -21.031 1.00 0.00 C ATOM 606 O CYS A 42 -9.698 -2.958 -22.234 1.00 0.00 O ATOM 607 CB CYS A 42 -9.599 -1.792 -18.955 1.00 0.00 C ATOM 608 SG CYS A 42 -10.544 -0.398 -19.649 1.00 0.00 S ATOM 0 H CYS A 42 -8.159 -1.217 -21.373 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.400 -3.487 -19.510 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.279 -2.435 -18.395 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.869 -1.404 -18.244 1.00 0.00 H new ATOM 613 N SER A 43 -10.906 -3.836 -20.550 1.00 0.00 N ATOM 614 CA SER A 43 -11.928 -4.394 -21.428 1.00 0.00 C ATOM 615 C SER A 43 -12.972 -3.339 -21.784 1.00 0.00 C ATOM 616 O SER A 43 -14.159 -3.642 -21.910 1.00 0.00 O ATOM 617 CB SER A 43 -12.605 -5.592 -20.760 1.00 0.00 C ATOM 618 OG SER A 43 -11.646 -6.538 -20.317 1.00 0.00 O ATOM 0 H SER A 43 -11.062 -4.010 -19.557 1.00 0.00 H new ATOM 0 HA SER A 43 -11.443 -4.725 -22.346 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.202 -5.251 -19.914 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.290 -6.066 -21.463 1.00 0.00 H new ATOM 0 HG SER A 43 -12.104 -7.293 -19.892 1.00 0.00 H new ATOM 624 N PHE A 44 -12.520 -2.100 -21.946 1.00 0.00 N ATOM 625 CA PHE A 44 -13.414 -0.999 -22.287 1.00 0.00 C ATOM 626 C PHE A 44 -13.610 -0.905 -23.797 1.00 0.00 C ATOM 627 O PHE A 44 -12.789 -1.396 -24.573 1.00 0.00 O ATOM 628 CB PHE A 44 -12.859 0.322 -21.750 1.00 0.00 C ATOM 629 CG PHE A 44 -13.537 1.534 -22.322 1.00 0.00 C ATOM 630 CD1 PHE A 44 -13.101 2.091 -23.513 1.00 0.00 C ATOM 631 CD2 PHE A 44 -14.611 2.116 -21.667 1.00 0.00 C ATOM 632 CE1 PHE A 44 -13.724 3.206 -24.042 1.00 0.00 C ATOM 633 CE2 PHE A 44 -15.237 3.231 -22.191 1.00 0.00 C ATOM 634 CZ PHE A 44 -14.792 3.777 -23.379 1.00 0.00 C ATOM 0 H PHE A 44 -11.541 -1.833 -21.847 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.382 -1.193 -21.824 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -12.962 0.336 -20.665 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.793 0.375 -21.969 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.265 1.649 -24.034 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -14.962 1.694 -20.737 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.376 3.630 -24.972 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.074 3.675 -21.672 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.279 4.650 -23.789 1.00 0.00 H new ATOM 644 N THR A 45 -14.704 -0.272 -24.208 1.00 0.00 N ATOM 645 CA THR A 45 -15.009 -0.114 -25.624 1.00 0.00 C ATOM 646 C THR A 45 -15.828 1.148 -25.873 1.00 0.00 C ATOM 647 O THR A 45 -16.566 1.603 -24.998 1.00 0.00 O ATOM 648 CB THR A 45 -15.782 -1.330 -26.171 1.00 0.00 C ATOM 649 OG1 THR A 45 -16.851 -1.671 -25.281 1.00 0.00 O ATOM 650 CG2 THR A 45 -14.857 -2.525 -26.343 1.00 0.00 C ATOM 0 H THR A 45 -15.394 0.140 -23.580 1.00 0.00 H new ATOM 0 HA THR A 45 -14.055 -0.034 -26.146 1.00 0.00 H new ATOM 0 HB THR A 45 -16.192 -1.065 -27.145 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.339 -2.443 -25.636 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.424 -3.371 -26.730 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.061 -2.271 -27.043 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.422 -2.790 -25.379 1.00 0.00 H new ATOM 658 N CYS A 46 -15.694 1.707 -27.070 1.00 0.00 N ATOM 659 CA CYS A 46 -16.422 2.918 -27.434 1.00 0.00 C ATOM 660 C CYS A 46 -16.664 2.975 -28.939 1.00 0.00 C ATOM 661 O CYS A 46 -16.136 2.158 -29.695 1.00 0.00 O ATOM 662 CB CYS A 46 -15.650 4.158 -26.982 1.00 0.00 C ATOM 663 SG CYS A 46 -16.683 5.620 -26.730 1.00 0.00 S ATOM 0 H CYS A 46 -15.088 1.342 -27.805 1.00 0.00 H new ATOM 0 HA CYS A 46 -17.388 2.897 -26.929 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -15.129 3.930 -26.052 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.887 4.389 -27.726 1.00 0.00 H new ATOM 0 HG CYS A 46 -16.058 6.466 -25.966 1.00 0.00 H new ATOM 669 N LEU A 47 -17.466 3.944 -29.367 1.00 0.00 N ATOM 670 CA LEU A 47 -17.780 4.107 -30.782 1.00 0.00 C ATOM 671 C LEU A 47 -17.210 5.417 -31.319 1.00 0.00 C ATOM 672 O LEU A 47 -17.809 6.058 -32.182 1.00 0.00 O ATOM 673 CB LEU A 47 -19.294 4.071 -30.997 1.00 0.00 C ATOM 674 CG LEU A 47 -19.945 2.688 -30.951 1.00 0.00 C ATOM 675 CD1 LEU A 47 -19.370 1.791 -32.036 1.00 0.00 C ATOM 676 CD2 LEU A 47 -19.758 2.056 -29.579 1.00 0.00 C ATOM 0 H LEU A 47 -17.910 4.628 -28.755 1.00 0.00 H new ATOM 0 HA LEU A 47 -17.322 3.282 -31.327 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.764 4.697 -30.238 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.514 4.522 -31.964 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.013 2.804 -31.133 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.845 0.811 -31.988 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.556 2.237 -33.013 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.296 1.681 -31.886 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.228 1.072 -29.564 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.694 1.953 -29.368 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.219 2.689 -28.821 1.00 0.00 H new ATOM 688 N SER A 48 -16.049 5.806 -30.803 1.00 0.00 N ATOM 689 CA SER A 48 -15.398 7.040 -31.229 1.00 0.00 C ATOM 690 C SER A 48 -13.910 7.014 -30.892 1.00 0.00 C ATOM 691 O SER A 48 -13.524 6.775 -29.748 1.00 0.00 O ATOM 692 CB SER A 48 -16.062 8.247 -30.563 1.00 0.00 C ATOM 693 OG SER A 48 -15.280 9.417 -30.732 1.00 0.00 O ATOM 0 H SER A 48 -15.539 5.285 -30.089 1.00 0.00 H new ATOM 0 HA SER A 48 -15.506 7.125 -32.310 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.052 8.403 -30.990 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.201 8.049 -29.500 1.00 0.00 H new ATOM 0 HG SER A 48 -15.726 10.174 -30.299 1.00 0.00 H new ATOM 699 N LYS A 49 -13.079 7.262 -31.898 1.00 0.00 N ATOM 700 CA LYS A 49 -11.633 7.269 -31.712 1.00 0.00 C ATOM 701 C LYS A 49 -11.225 8.287 -30.652 1.00 0.00 C ATOM 702 O LYS A 49 -10.721 7.924 -29.590 1.00 0.00 O ATOM 703 CB LYS A 49 -10.929 7.585 -33.034 1.00 0.00 C ATOM 704 CG LYS A 49 -11.425 6.750 -34.202 1.00 0.00 C ATOM 705 CD LYS A 49 -10.586 5.497 -34.389 1.00 0.00 C ATOM 706 CE LYS A 49 -10.781 4.897 -35.772 1.00 0.00 C ATOM 707 NZ LYS A 49 -10.081 5.686 -36.823 1.00 0.00 N ATOM 0 H LYS A 49 -13.382 7.461 -32.851 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.331 6.278 -31.374 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.069 8.640 -33.267 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.858 7.425 -32.913 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.465 6.471 -34.035 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.398 7.346 -35.114 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.533 5.737 -34.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.855 4.761 -33.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.409 3.872 -35.779 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.846 4.851 -36.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.094 5.159 -37.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.563 6.598 -36.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.096 5.853 -36.534 1.00 0.00 H new ATOM 721 N GLY A 50 -11.450 9.564 -30.946 1.00 0.00 N ATOM 722 CA GLY A 50 -11.102 10.614 -30.007 1.00 0.00 C ATOM 723 C GLY A 50 -11.497 10.274 -28.584 1.00 0.00 C ATOM 724 O GLY A 50 -10.690 10.397 -27.661 1.00 0.00 O ATOM 0 H GLY A 50 -11.867 9.890 -31.818 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.028 10.794 -30.049 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.592 11.541 -30.305 1.00 0.00 H new ATOM 728 N HIS A 51 -12.742 9.846 -28.403 1.00 0.00 N ATOM 729 CA HIS A 51 -13.243 9.488 -27.081 1.00 0.00 C ATOM 730 C HIS A 51 -12.349 8.438 -26.427 1.00 0.00 C ATOM 731 O HIS A 51 -11.903 8.608 -25.292 1.00 0.00 O ATOM 732 CB HIS A 51 -14.676 8.963 -27.180 1.00 0.00 C ATOM 733 CG HIS A 51 -15.710 10.047 -27.208 1.00 0.00 C ATOM 734 ND1 HIS A 51 -16.965 9.876 -27.752 1.00 0.00 N ATOM 735 CD2 HIS A 51 -15.670 11.321 -26.752 1.00 0.00 C ATOM 736 CE1 HIS A 51 -17.652 10.998 -27.632 1.00 0.00 C ATOM 737 NE2 HIS A 51 -16.888 11.891 -27.028 1.00 0.00 N ATOM 0 H HIS A 51 -13.423 9.739 -29.155 1.00 0.00 H new ATOM 0 HA HIS A 51 -13.234 10.385 -26.462 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.771 8.358 -28.082 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.873 8.306 -26.333 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.835 11.800 -26.262 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.665 11.158 -27.970 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.159 12.848 -26.803 1.00 0.00 H new ATOM 745 N LEU A 52 -12.093 7.354 -27.150 1.00 0.00 N ATOM 746 CA LEU A 52 -11.252 6.276 -26.640 1.00 0.00 C ATOM 747 C LEU A 52 -9.993 6.832 -25.982 1.00 0.00 C ATOM 748 O LEU A 52 -9.615 6.414 -24.887 1.00 0.00 O ATOM 749 CB LEU A 52 -10.871 5.321 -27.772 1.00 0.00 C ATOM 750 CG LEU A 52 -9.836 4.249 -27.426 1.00 0.00 C ATOM 751 CD1 LEU A 52 -10.310 3.409 -26.251 1.00 0.00 C ATOM 752 CD2 LEU A 52 -9.556 3.369 -28.635 1.00 0.00 C ATOM 0 H LEU A 52 -12.455 7.198 -28.091 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.821 5.729 -25.888 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.776 4.824 -28.122 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.489 5.911 -28.605 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.909 4.745 -27.140 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.561 2.652 -26.019 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.459 4.050 -25.382 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.251 2.922 -26.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.818 2.612 -28.371 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.478 2.882 -28.952 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.171 3.982 -29.450 1.00 0.00 H new ATOM 764 N LYS A 53 -9.348 7.778 -26.656 1.00 0.00 N ATOM 765 CA LYS A 53 -8.134 8.395 -26.137 1.00 0.00 C ATOM 766 C LYS A 53 -8.387 9.035 -24.776 1.00 0.00 C ATOM 767 O LYS A 53 -7.591 8.884 -23.849 1.00 0.00 O ATOM 768 CB LYS A 53 -7.612 9.447 -27.118 1.00 0.00 C ATOM 769 CG LYS A 53 -6.511 10.321 -26.544 1.00 0.00 C ATOM 770 CD LYS A 53 -5.816 11.127 -27.628 1.00 0.00 C ATOM 771 CE LYS A 53 -4.833 10.273 -28.414 1.00 0.00 C ATOM 772 NZ LYS A 53 -3.597 9.988 -27.632 1.00 0.00 N ATOM 0 H LYS A 53 -9.647 8.134 -27.564 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.383 7.614 -26.017 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.238 8.945 -28.010 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.441 10.081 -27.433 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.933 10.997 -25.800 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.781 9.697 -26.029 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.560 11.544 -28.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.289 11.968 -27.177 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.310 9.334 -28.694 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.568 10.784 -29.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.886 9.553 -28.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.220 10.876 -27.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.822 9.337 -26.853 1.00 0.00 H new ATOM 786 N VAL A 54 -9.503 9.749 -24.661 1.00 0.00 N ATOM 787 CA VAL A 54 -9.863 10.410 -23.412 1.00 0.00 C ATOM 788 C VAL A 54 -10.023 9.399 -22.282 1.00 0.00 C ATOM 789 O VAL A 54 -9.573 9.630 -21.160 1.00 0.00 O ATOM 790 CB VAL A 54 -11.169 11.212 -23.558 1.00 0.00 C ATOM 791 CG1 VAL A 54 -11.549 11.859 -22.235 1.00 0.00 C ATOM 792 CG2 VAL A 54 -11.031 12.259 -24.653 1.00 0.00 C ATOM 0 H VAL A 54 -10.173 9.884 -25.418 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.050 11.095 -23.170 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.967 10.526 -23.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.475 12.422 -22.358 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.691 11.086 -21.480 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.754 12.534 -21.918 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.963 12.817 -24.743 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.221 12.944 -24.402 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.810 11.768 -25.600 1.00 0.00 H new ATOM 802 N HIS A 55 -10.667 8.277 -22.587 1.00 0.00 N ATOM 803 CA HIS A 55 -10.887 7.229 -21.596 1.00 0.00 C ATOM 804 C HIS A 55 -9.590 6.890 -20.867 1.00 0.00 C ATOM 805 O HIS A 55 -9.579 6.716 -19.649 1.00 0.00 O ATOM 806 CB HIS A 55 -11.452 5.975 -22.266 1.00 0.00 C ATOM 807 CG HIS A 55 -11.311 4.737 -21.434 1.00 0.00 C ATOM 808 ND1 HIS A 55 -12.216 4.381 -20.457 1.00 0.00 N ATOM 809 CD2 HIS A 55 -10.365 3.770 -21.440 1.00 0.00 C ATOM 810 CE1 HIS A 55 -11.832 3.248 -19.896 1.00 0.00 C ATOM 811 NE2 HIS A 55 -10.711 2.856 -20.475 1.00 0.00 N ATOM 0 H HIS A 55 -11.045 8.070 -23.511 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.608 7.598 -20.866 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.507 6.136 -22.488 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.945 5.822 -23.219 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.052 4.910 -20.206 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.499 3.725 -22.084 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.347 2.731 -19.100 1.00 0.00 H new ATOM 819 N ILE A 56 -8.500 6.797 -21.622 1.00 0.00 N ATOM 820 CA ILE A 56 -7.198 6.479 -21.047 1.00 0.00 C ATOM 821 C ILE A 56 -6.604 7.687 -20.330 1.00 0.00 C ATOM 822 O ILE A 56 -6.045 7.561 -19.241 1.00 0.00 O ATOM 823 CB ILE A 56 -6.209 5.998 -22.125 1.00 0.00 C ATOM 824 CG1 ILE A 56 -6.758 4.760 -22.836 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.852 5.702 -21.504 1.00 0.00 C ATOM 826 CD1 ILE A 56 -6.207 4.570 -24.232 1.00 0.00 C ATOM 0 H ILE A 56 -8.492 6.937 -22.632 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.358 5.675 -20.328 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.084 6.791 -22.862 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.528 3.877 -22.240 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.844 4.834 -22.890 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.164 5.363 -22.278 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.459 6.607 -21.040 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.960 4.924 -20.748 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.640 3.673 -24.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.460 5.436 -24.844 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.123 4.464 -24.184 1.00 0.00 H new ATOM 838 N GLU A 57 -6.732 8.857 -20.948 1.00 0.00 N ATOM 839 CA GLU A 57 -6.208 10.088 -20.368 1.00 0.00 C ATOM 840 C GLU A 57 -6.968 10.456 -19.097 1.00 0.00 C ATOM 841 O GLU A 57 -6.531 11.311 -18.326 1.00 0.00 O ATOM 842 CB GLU A 57 -6.298 11.233 -21.379 1.00 0.00 C ATOM 843 CG GLU A 57 -5.553 10.961 -22.675 1.00 0.00 C ATOM 844 CD GLU A 57 -4.120 11.453 -22.639 1.00 0.00 C ATOM 845 OE1 GLU A 57 -3.907 12.632 -22.287 1.00 0.00 O ATOM 846 OE2 GLU A 57 -3.211 10.660 -22.963 1.00 0.00 O ATOM 0 H GLU A 57 -7.194 8.978 -21.849 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.162 9.922 -20.110 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.347 11.424 -21.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.900 12.140 -20.924 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.560 9.890 -22.876 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.078 11.443 -23.499 1.00 0.00 H new ATOM 853 N ARG A 58 -8.106 9.804 -18.885 1.00 0.00 N ATOM 854 CA ARG A 58 -8.928 10.064 -17.709 1.00 0.00 C ATOM 855 C ARG A 58 -8.900 8.875 -16.753 1.00 0.00 C ATOM 856 O ARG A 58 -8.959 9.043 -15.535 1.00 0.00 O ATOM 857 CB ARG A 58 -10.370 10.364 -18.124 1.00 0.00 C ATOM 858 CG ARG A 58 -11.268 9.138 -18.137 1.00 0.00 C ATOM 859 CD ARG A 58 -12.652 9.467 -18.672 1.00 0.00 C ATOM 860 NE ARG A 58 -13.509 10.058 -17.647 1.00 0.00 N ATOM 861 CZ ARG A 58 -13.524 11.354 -17.359 1.00 0.00 C ATOM 862 NH1 ARG A 58 -12.732 12.192 -18.015 1.00 0.00 N ATOM 863 NH2 ARG A 58 -14.331 11.816 -16.412 1.00 0.00 N ATOM 0 H ARG A 58 -8.480 9.092 -19.512 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.517 10.933 -17.194 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.789 11.104 -17.442 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.367 10.812 -19.117 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.815 8.360 -18.751 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.353 8.737 -17.127 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.562 10.157 -19.511 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.118 8.559 -19.055 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.130 9.441 -17.124 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.109 11.841 -18.743 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.746 13.187 -17.792 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.941 11.175 -15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.341 12.812 -16.192 1.00 0.00 H new ATOM 877 N VAL A 59 -8.810 7.673 -17.314 1.00 0.00 N ATOM 878 CA VAL A 59 -8.773 6.456 -16.512 1.00 0.00 C ATOM 879 C VAL A 59 -7.342 5.965 -16.323 1.00 0.00 C ATOM 880 O VAL A 59 -6.847 5.880 -15.199 1.00 0.00 O ATOM 881 CB VAL A 59 -9.608 5.334 -17.157 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.509 4.056 -16.337 1.00 0.00 C ATOM 883 CG2 VAL A 59 -11.058 5.769 -17.308 1.00 0.00 C ATOM 0 H VAL A 59 -8.761 7.516 -18.321 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.200 6.704 -15.540 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.208 5.132 -18.150 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.105 3.274 -16.808 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.468 3.737 -16.285 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.883 4.240 -15.330 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.634 4.964 -17.765 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.473 5.999 -16.327 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.108 6.655 -17.940 1.00 0.00 H new ATOM 893 N HIS A 60 -6.682 5.643 -17.431 1.00 0.00 N ATOM 894 CA HIS A 60 -5.306 5.161 -17.388 1.00 0.00 C ATOM 895 C HIS A 60 -4.326 6.286 -17.708 1.00 0.00 C ATOM 896 O HIS A 60 -3.519 6.177 -18.632 1.00 0.00 O ATOM 897 CB HIS A 60 -5.116 4.008 -18.373 1.00 0.00 C ATOM 898 CG HIS A 60 -6.230 3.008 -18.346 1.00 0.00 C ATOM 899 ND1 HIS A 60 -6.275 1.955 -17.457 1.00 0.00 N ATOM 900 CD2 HIS A 60 -7.346 2.905 -19.105 1.00 0.00 C ATOM 901 CE1 HIS A 60 -7.370 1.247 -17.671 1.00 0.00 C ATOM 902 NE2 HIS A 60 -8.037 1.803 -18.666 1.00 0.00 N ATOM 0 H HIS A 60 -7.077 5.707 -18.369 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.104 4.803 -16.378 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.027 4.413 -19.381 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.178 3.501 -18.149 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.573 1.754 -16.745 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.638 3.567 -19.907 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.669 0.364 -17.125 1.00 0.00 H new ATOM 910 N LYS A 61 -4.402 7.367 -16.940 1.00 0.00 N ATOM 911 CA LYS A 61 -3.523 8.513 -17.140 1.00 0.00 C ATOM 912 C LYS A 61 -2.316 8.442 -16.210 1.00 0.00 C ATOM 913 O LYS A 61 -2.344 7.751 -15.191 1.00 0.00 O ATOM 914 CB LYS A 61 -4.287 9.817 -16.902 1.00 0.00 C ATOM 915 CG LYS A 61 -4.642 10.056 -15.445 1.00 0.00 C ATOM 916 CD LYS A 61 -3.559 10.846 -14.729 1.00 0.00 C ATOM 917 CE LYS A 61 -3.811 12.343 -14.817 1.00 0.00 C ATOM 918 NZ LYS A 61 -2.761 13.124 -14.106 1.00 0.00 N ATOM 0 H LYS A 61 -5.065 7.474 -16.172 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.168 8.490 -18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.686 10.652 -17.262 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.203 9.805 -17.493 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.587 10.595 -15.384 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.787 9.099 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.518 10.544 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.588 10.613 -15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.842 12.645 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.787 12.573 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.968 14.140 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.748 12.854 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.833 12.924 -14.530 1.00 0.00 H new ATOM 932 N LYS A 62 -1.257 9.161 -16.566 1.00 0.00 N ATOM 933 CA LYS A 62 -0.040 9.182 -15.763 1.00 0.00 C ATOM 934 C LYS A 62 0.206 7.824 -15.113 1.00 0.00 C ATOM 935 O LYS A 62 0.353 7.726 -13.894 1.00 0.00 O ATOM 936 CB LYS A 62 -0.135 10.265 -14.686 1.00 0.00 C ATOM 937 CG LYS A 62 1.217 10.733 -14.174 1.00 0.00 C ATOM 938 CD LYS A 62 1.725 11.932 -14.958 1.00 0.00 C ATOM 939 CE LYS A 62 3.102 12.367 -14.480 1.00 0.00 C ATOM 940 NZ LYS A 62 4.190 11.622 -15.172 1.00 0.00 N ATOM 0 H LYS A 62 -1.217 9.738 -17.406 1.00 0.00 H new ATOM 0 HA LYS A 62 0.798 9.406 -16.423 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.677 11.120 -15.089 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.719 9.883 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.137 10.994 -13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.937 9.918 -14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.769 11.683 -16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.024 12.760 -14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.226 13.436 -14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.180 12.208 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.024 12.235 -15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.441 10.779 -14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.865 11.330 -16.116 1.00 0.00 H new ATOM 954 N ILE A 63 0.253 6.780 -15.934 1.00 0.00 N ATOM 955 CA ILE A 63 0.484 5.429 -15.438 1.00 0.00 C ATOM 956 C ILE A 63 1.960 5.055 -15.532 1.00 0.00 C ATOM 957 O ILE A 63 2.643 5.411 -16.492 1.00 0.00 O ATOM 958 CB ILE A 63 -0.347 4.393 -16.218 1.00 0.00 C ATOM 959 CG1 ILE A 63 -0.128 2.993 -15.641 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.016 4.426 -17.695 1.00 0.00 C ATOM 961 CD1 ILE A 63 -1.113 1.967 -16.157 1.00 0.00 C ATOM 0 H ILE A 63 0.134 6.844 -16.945 1.00 0.00 H new ATOM 0 HA ILE A 63 0.174 5.419 -14.393 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.403 4.646 -16.118 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.884 2.665 -15.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.201 3.041 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.580 3.688 -18.233 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.186 5.419 -18.097 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.074 4.195 -17.815 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.899 0.998 -15.706 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.126 2.272 -15.896 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.025 1.891 -17.241 1.00 0.00 H new ATOM 973 N LYS A 64 2.446 4.332 -14.529 1.00 0.00 N ATOM 974 CA LYS A 64 3.839 3.905 -14.498 1.00 0.00 C ATOM 975 C LYS A 64 4.319 3.511 -15.891 1.00 0.00 C ATOM 976 O LYS A 64 3.527 3.089 -16.733 1.00 0.00 O ATOM 977 CB LYS A 64 4.012 2.728 -13.535 1.00 0.00 C ATOM 978 CG LYS A 64 3.364 1.443 -14.023 1.00 0.00 C ATOM 979 CD LYS A 64 3.881 0.234 -13.261 1.00 0.00 C ATOM 980 CE LYS A 64 3.311 0.177 -11.852 1.00 0.00 C ATOM 981 NZ LYS A 64 2.022 -0.568 -11.806 1.00 0.00 N ATOM 0 H LYS A 64 1.895 4.029 -13.726 1.00 0.00 H new ATOM 0 HA LYS A 64 4.442 4.743 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.076 2.552 -13.377 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.587 2.995 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.282 1.513 -13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.562 1.316 -15.087 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.616 -0.677 -13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.969 0.271 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.031 -0.301 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.159 1.190 -11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.665 -0.585 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.327 -0.097 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.172 -1.543 -12.137 1.00 0.00 H new ATOM 995 N GLN A 65 5.620 3.649 -16.125 1.00 0.00 N ATOM 996 CA GLN A 65 6.204 3.307 -17.417 1.00 0.00 C ATOM 997 C GLN A 65 7.484 2.498 -17.238 1.00 0.00 C ATOM 998 O GLN A 65 8.368 2.877 -16.469 1.00 0.00 O ATOM 999 CB GLN A 65 6.495 4.575 -18.221 1.00 0.00 C ATOM 1000 CG GLN A 65 5.244 5.321 -18.655 1.00 0.00 C ATOM 1001 CD GLN A 65 5.422 6.037 -19.980 1.00 0.00 C ATOM 1002 OE1 GLN A 65 6.523 6.090 -20.527 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.335 6.592 -20.503 1.00 0.00 N ATOM 0 H GLN A 65 6.289 3.995 -15.438 1.00 0.00 H new ATOM 0 HA GLN A 65 5.484 2.697 -17.963 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.115 5.241 -17.621 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.075 4.310 -19.105 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.415 4.617 -18.735 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.973 6.046 -17.888 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.442 6.523 -20.015 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.393 7.087 -21.393 1.00 0.00 H new ATOM 1012 N HIS A 66 7.578 1.381 -17.953 1.00 0.00 N ATOM 1013 CA HIS A 66 8.751 0.518 -17.873 1.00 0.00 C ATOM 1014 C HIS A 66 9.707 0.792 -19.031 1.00 0.00 C ATOM 1015 O HIS A 66 9.301 0.810 -20.193 1.00 0.00 O ATOM 1016 CB HIS A 66 8.331 -0.952 -17.880 1.00 0.00 C ATOM 1017 CG HIS A 66 7.618 -1.365 -19.130 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.282 -1.705 -19.158 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.063 -1.491 -20.403 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.936 -2.023 -20.392 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.999 -1.901 -21.167 1.00 0.00 N ATOM 0 H HIS A 66 6.856 1.053 -18.594 1.00 0.00 H new ATOM 0 HA HIS A 66 9.268 0.735 -16.938 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.217 -1.575 -17.754 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.684 -1.141 -17.023 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.068 -1.304 -20.752 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.952 -2.330 -20.713 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.025 -2.082 -22.170 1.00 0.00 H new ATOM 1029 N CYS A 67 10.977 1.005 -18.705 1.00 0.00 N ATOM 1030 CA CYS A 67 11.991 1.280 -19.717 1.00 0.00 C ATOM 1031 C CYS A 67 12.166 0.084 -20.649 1.00 0.00 C ATOM 1032 O CYS A 67 12.412 -1.035 -20.200 1.00 0.00 O ATOM 1033 CB CYS A 67 13.325 1.621 -19.052 1.00 0.00 C ATOM 1034 SG CYS A 67 14.437 2.625 -20.089 1.00 0.00 S ATOM 0 H CYS A 67 11.329 0.993 -17.748 1.00 0.00 H new ATOM 0 HA CYS A 67 11.658 2.134 -20.307 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.129 2.157 -18.123 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.833 0.694 -18.785 1.00 0.00 H new ATOM 1039 N ARG A 68 12.037 0.331 -21.949 1.00 0.00 N ATOM 1040 CA ARG A 68 12.179 -0.724 -22.945 1.00 0.00 C ATOM 1041 C ARG A 68 13.651 -0.988 -23.250 1.00 0.00 C ATOM 1042 O ARG A 68 13.989 -1.553 -24.290 1.00 0.00 O ATOM 1043 CB ARG A 68 11.441 -0.345 -24.230 1.00 0.00 C ATOM 1044 CG ARG A 68 12.049 0.846 -24.953 1.00 0.00 C ATOM 1045 CD ARG A 68 13.082 0.407 -25.978 1.00 0.00 C ATOM 1046 NE ARG A 68 13.221 1.374 -27.064 1.00 0.00 N ATOM 1047 CZ ARG A 68 14.000 1.183 -28.123 1.00 0.00 C ATOM 1048 NH1 ARG A 68 14.705 0.066 -28.239 1.00 0.00 N ATOM 1049 NH2 ARG A 68 14.073 2.110 -29.069 1.00 0.00 N ATOM 0 H ARG A 68 11.834 1.252 -22.337 1.00 0.00 H new ATOM 0 HA ARG A 68 11.740 -1.635 -22.538 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.435 -1.203 -24.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.402 -0.121 -23.990 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.261 1.413 -25.449 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.515 1.514 -24.228 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.046 0.273 -25.487 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.796 -0.561 -26.389 1.00 0.00 H new ATOM 0 HE ARG A 68 12.691 2.244 -27.006 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.650 -0.649 -27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.302 -0.078 -29.053 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.531 2.970 -28.983 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.671 1.963 -29.882 1.00 0.00 H new ATOM 1063 N PHE A 69 14.523 -0.576 -22.335 1.00 0.00 N ATOM 1064 CA PHE A 69 15.958 -0.767 -22.507 1.00 0.00 C ATOM 1065 C PHE A 69 16.548 -1.544 -21.334 1.00 0.00 C ATOM 1066 O PHE A 69 17.288 -2.510 -21.524 1.00 0.00 O ATOM 1067 CB PHE A 69 16.661 0.586 -22.641 1.00 0.00 C ATOM 1068 CG PHE A 69 16.256 1.353 -23.867 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.878 1.121 -25.083 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.252 2.306 -23.803 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.507 1.826 -26.212 1.00 0.00 C ATOM 1072 CE2 PHE A 69 14.877 3.014 -24.930 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.504 2.773 -26.136 1.00 0.00 C ATOM 0 H PHE A 69 14.261 -0.108 -21.467 1.00 0.00 H new ATOM 0 HA PHE A 69 16.116 -1.344 -23.418 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.445 1.188 -21.758 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.739 0.426 -22.662 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.662 0.381 -25.149 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.757 2.498 -22.863 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.001 1.637 -27.154 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.094 3.755 -24.867 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.211 3.323 -27.018 1.00 0.00 H new ATOM 1083 N CYS A 70 16.215 -1.116 -20.121 1.00 0.00 N ATOM 1084 CA CYS A 70 16.711 -1.770 -18.916 1.00 0.00 C ATOM 1085 C CYS A 70 15.555 -2.225 -18.029 1.00 0.00 C ATOM 1086 O CYS A 70 15.709 -2.374 -16.817 1.00 0.00 O ATOM 1087 CB CYS A 70 17.624 -0.822 -18.135 1.00 0.00 C ATOM 1088 SG CYS A 70 16.802 0.698 -17.560 1.00 0.00 S ATOM 0 H CYS A 70 15.603 -0.319 -19.946 1.00 0.00 H new ATOM 0 HA CYS A 70 17.282 -2.648 -19.218 1.00 0.00 H new ATOM 0 HB2 CYS A 70 18.028 -1.352 -17.272 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.470 -0.548 -18.765 1.00 0.00 H new ATOM 1093 N LYS A 71 14.397 -2.445 -18.643 1.00 0.00 N ATOM 1094 CA LYS A 71 13.215 -2.885 -17.912 1.00 0.00 C ATOM 1095 C LYS A 71 13.142 -2.217 -16.542 1.00 0.00 C ATOM 1096 O LYS A 71 13.039 -2.890 -15.516 1.00 0.00 O ATOM 1097 CB LYS A 71 13.228 -4.406 -17.749 1.00 0.00 C ATOM 1098 CG LYS A 71 13.197 -5.159 -19.068 1.00 0.00 C ATOM 1099 CD LYS A 71 11.778 -5.315 -19.588 1.00 0.00 C ATOM 1100 CE LYS A 71 11.375 -4.140 -20.467 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.308 -4.513 -21.436 1.00 0.00 N ATOM 0 H LYS A 71 14.252 -2.326 -19.646 1.00 0.00 H new ATOM 0 HA LYS A 71 12.335 -2.594 -18.486 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.121 -4.696 -17.195 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.369 -4.706 -17.149 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.799 -4.628 -19.805 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.648 -6.143 -18.937 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.697 -6.241 -20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.088 -5.396 -18.748 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.025 -3.320 -19.840 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.248 -3.776 -21.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.061 -3.686 -22.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.650 -5.278 -22.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.466 -4.836 -20.918 1.00 0.00 H new ATOM 1115 N LYS A 72 13.196 -0.890 -16.533 1.00 0.00 N ATOM 1116 CA LYS A 72 13.134 -0.130 -15.290 1.00 0.00 C ATOM 1117 C LYS A 72 11.871 0.725 -15.238 1.00 0.00 C ATOM 1118 O LYS A 72 11.660 1.591 -16.087 1.00 0.00 O ATOM 1119 CB LYS A 72 14.371 0.760 -15.149 1.00 0.00 C ATOM 1120 CG LYS A 72 15.551 0.061 -14.496 1.00 0.00 C ATOM 1121 CD LYS A 72 16.661 1.042 -14.156 1.00 0.00 C ATOM 1122 CE LYS A 72 17.564 0.502 -13.058 1.00 0.00 C ATOM 1123 NZ LYS A 72 18.542 -0.491 -13.581 1.00 0.00 N ATOM 0 H LYS A 72 13.283 -0.318 -17.373 1.00 0.00 H new ATOM 0 HA LYS A 72 13.108 -0.838 -14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.669 1.113 -16.136 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.110 1.640 -14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.220 -0.444 -13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.936 -0.708 -15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.253 1.247 -15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.226 1.989 -13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.100 1.328 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.955 0.038 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.138 -0.835 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.031 -1.292 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.141 -0.041 -14.303 1.00 0.00 H new ATOM 1137 N LYS A 73 11.036 0.478 -14.235 1.00 0.00 N ATOM 1138 CA LYS A 73 9.795 1.227 -14.069 1.00 0.00 C ATOM 1139 C LYS A 73 10.070 2.614 -13.498 1.00 0.00 C ATOM 1140 O LYS A 73 11.013 2.805 -12.730 1.00 0.00 O ATOM 1141 CB LYS A 73 8.836 0.466 -13.151 1.00 0.00 C ATOM 1142 CG LYS A 73 8.203 -0.749 -13.806 1.00 0.00 C ATOM 1143 CD LYS A 73 7.889 -1.832 -12.786 1.00 0.00 C ATOM 1144 CE LYS A 73 9.156 -2.508 -12.285 1.00 0.00 C ATOM 1145 NZ LYS A 73 8.857 -3.575 -11.289 1.00 0.00 N ATOM 0 H LYS A 73 11.196 -0.236 -13.524 1.00 0.00 H new ATOM 0 HA LYS A 73 9.334 1.342 -15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.376 0.148 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.048 1.143 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.287 -0.452 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.877 -1.147 -14.565 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.351 -1.396 -11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.231 -2.576 -13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.696 -2.939 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.811 -1.763 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.746 -4.012 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.364 -3.160 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.252 -4.299 -11.727 1.00 0.00 H new ATOM 1159 N TYR A 74 9.239 3.579 -13.877 1.00 0.00 N ATOM 1160 CA TYR A 74 9.393 4.950 -13.404 1.00 0.00 C ATOM 1161 C TYR A 74 8.043 5.548 -13.019 1.00 0.00 C ATOM 1162 O TYR A 74 7.158 5.705 -13.860 1.00 0.00 O ATOM 1163 CB TYR A 74 10.057 5.812 -14.479 1.00 0.00 C ATOM 1164 CG TYR A 74 11.566 5.725 -14.477 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.220 4.630 -15.030 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.340 6.737 -13.923 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.599 4.546 -15.031 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.719 6.663 -13.920 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.344 5.565 -14.475 1.00 0.00 C ATOM 1170 OH TYR A 74 15.718 5.486 -14.473 1.00 0.00 O ATOM 0 H TYR A 74 8.452 3.437 -14.510 1.00 0.00 H new ATOM 0 HA TYR A 74 10.029 4.932 -12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.685 5.508 -15.458 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.761 6.851 -14.334 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.640 3.831 -15.467 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.854 7.597 -13.487 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.091 3.688 -15.464 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.305 7.460 -13.486 1.00 0.00 H new ATOM 0 HH TYR A 74 16.025 5.101 -15.321 1.00 0.00 H new ATOM 1180 N SER A 75 7.894 5.880 -11.740 1.00 0.00 N ATOM 1181 CA SER A 75 6.652 6.458 -11.241 1.00 0.00 C ATOM 1182 C SER A 75 6.074 7.453 -12.243 1.00 0.00 C ATOM 1183 O SER A 75 4.875 7.443 -12.524 1.00 0.00 O ATOM 1184 CB SER A 75 6.890 7.150 -9.898 1.00 0.00 C ATOM 1185 OG SER A 75 5.689 7.247 -9.153 1.00 0.00 O ATOM 0 H SER A 75 8.618 5.759 -11.031 1.00 0.00 H new ATOM 0 HA SER A 75 5.934 5.649 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.632 6.594 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.298 8.146 -10.066 1.00 0.00 H new ATOM 0 HG SER A 75 5.869 7.692 -8.298 1.00 0.00 H new ATOM 1191 N ASP A 76 6.935 8.311 -12.779 1.00 0.00 N ATOM 1192 CA ASP A 76 6.513 9.312 -13.751 1.00 0.00 C ATOM 1193 C ASP A 76 7.233 9.116 -15.081 1.00 0.00 C ATOM 1194 O ASP A 76 8.439 8.873 -15.116 1.00 0.00 O ATOM 1195 CB ASP A 76 6.780 10.719 -13.214 1.00 0.00 C ATOM 1196 CG ASP A 76 6.386 10.868 -11.758 1.00 0.00 C ATOM 1197 OD1 ASP A 76 7.223 10.562 -10.883 1.00 0.00 O ATOM 1198 OD2 ASP A 76 5.241 11.290 -11.493 1.00 0.00 O ATOM 0 H ASP A 76 7.930 8.333 -12.556 1.00 0.00 H new ATOM 0 HA ASP A 76 5.442 9.192 -13.918 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.839 10.953 -13.326 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.228 11.444 -13.813 1.00 0.00 H new ATOM 1203 N VAL A 77 6.484 9.222 -16.175 1.00 0.00 N ATOM 1204 CA VAL A 77 7.051 9.057 -17.508 1.00 0.00 C ATOM 1205 C VAL A 77 8.081 10.141 -17.806 1.00 0.00 C ATOM 1206 O VAL A 77 9.146 9.865 -18.357 1.00 0.00 O ATOM 1207 CB VAL A 77 5.956 9.092 -18.591 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.194 10.408 -18.538 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.563 8.874 -19.969 1.00 0.00 C ATOM 0 H VAL A 77 5.484 9.421 -16.164 1.00 0.00 H new ATOM 0 HA VAL A 77 7.539 8.083 -17.526 1.00 0.00 H new ATOM 0 HB VAL A 77 5.251 8.283 -18.397 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.425 10.414 -19.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.727 10.519 -17.559 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.884 11.235 -18.706 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.775 8.902 -20.722 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.290 9.660 -20.175 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.059 7.904 -19.999 1.00 0.00 H new ATOM 1219 N LYS A 78 7.756 11.375 -17.437 1.00 0.00 N ATOM 1220 CA LYS A 78 8.653 12.502 -17.662 1.00 0.00 C ATOM 1221 C LYS A 78 10.103 12.101 -17.414 1.00 0.00 C ATOM 1222 O LYS A 78 10.966 12.298 -18.269 1.00 0.00 O ATOM 1223 CB LYS A 78 8.273 13.672 -16.752 1.00 0.00 C ATOM 1224 CG LYS A 78 7.139 14.523 -17.296 1.00 0.00 C ATOM 1225 CD LYS A 78 7.194 15.941 -16.750 1.00 0.00 C ATOM 1226 CE LYS A 78 6.503 16.045 -15.399 1.00 0.00 C ATOM 1227 NZ LYS A 78 6.352 17.460 -14.961 1.00 0.00 N ATOM 0 H LYS A 78 6.877 11.620 -16.980 1.00 0.00 H new ATOM 0 HA LYS A 78 8.553 12.812 -18.702 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.987 13.283 -15.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.149 14.303 -16.601 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.192 14.549 -18.384 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.184 14.068 -17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.233 16.255 -16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.720 16.623 -17.456 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.521 15.576 -15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.077 15.493 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.877 17.488 -14.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.291 17.901 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.783 17.981 -15.659 1.00 0.00 H new ATOM 1241 N ASN A 79 10.364 11.537 -16.240 1.00 0.00 N ATOM 1242 CA ASN A 79 11.711 11.108 -15.881 1.00 0.00 C ATOM 1243 C ASN A 79 12.200 10.008 -16.819 1.00 0.00 C ATOM 1244 O ASN A 79 13.294 10.095 -17.378 1.00 0.00 O ATOM 1245 CB ASN A 79 11.741 10.610 -14.434 1.00 0.00 C ATOM 1246 CG ASN A 79 10.819 11.405 -13.530 1.00 0.00 C ATOM 1247 OD1 ASN A 79 10.592 12.595 -13.748 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.284 10.749 -12.507 1.00 0.00 N ATOM 0 H ASN A 79 9.661 11.366 -15.521 1.00 0.00 H new ATOM 0 HA ASN A 79 12.377 11.966 -15.978 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.453 9.559 -14.408 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.760 10.671 -14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.657 11.232 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.500 9.762 -12.365 1.00 0.00 H new ATOM 1255 N LEU A 80 11.382 8.976 -16.988 1.00 0.00 N ATOM 1256 CA LEU A 80 11.730 7.859 -17.859 1.00 0.00 C ATOM 1257 C LEU A 80 12.310 8.358 -19.179 1.00 0.00 C ATOM 1258 O LEU A 80 13.292 7.811 -19.682 1.00 0.00 O ATOM 1259 CB LEU A 80 10.498 6.992 -18.127 1.00 0.00 C ATOM 1260 CG LEU A 80 10.710 5.789 -19.046 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.640 4.776 -18.394 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.378 5.143 -19.397 1.00 0.00 C ATOM 0 H LEU A 80 10.473 8.889 -16.534 1.00 0.00 H new ATOM 0 HA LEU A 80 12.487 7.259 -17.354 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.118 6.631 -17.171 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.722 7.623 -18.561 1.00 0.00 H new ATOM 0 HG LEU A 80 11.175 6.139 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.779 3.927 -19.063 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.605 5.243 -18.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.203 4.432 -17.457 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.549 4.289 -20.052 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.885 4.808 -18.485 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.744 5.869 -19.906 1.00 0.00 H new ATOM 1274 N ILE A 81 11.698 9.399 -19.732 1.00 0.00 N ATOM 1275 CA ILE A 81 12.157 9.973 -20.991 1.00 0.00 C ATOM 1276 C ILE A 81 13.624 10.382 -20.907 1.00 0.00 C ATOM 1277 O ILE A 81 14.458 9.901 -21.674 1.00 0.00 O ATOM 1278 CB ILE A 81 11.316 11.201 -21.389 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.827 10.846 -21.396 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.749 11.720 -22.752 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.442 9.880 -22.495 1.00 0.00 C ATOM 0 H ILE A 81 10.884 9.862 -19.329 1.00 0.00 H new ATOM 0 HA ILE A 81 12.041 9.200 -21.751 1.00 0.00 H new ATOM 0 HB ILE A 81 11.479 11.989 -20.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.560 10.412 -20.432 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.244 11.760 -21.506 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.146 12.588 -23.019 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.800 12.006 -22.715 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.612 10.938 -23.499 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.373 9.673 -22.440 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.677 10.319 -23.464 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.998 8.950 -22.374 1.00 0.00 H new ATOM 1293 N LYS A 82 13.932 11.271 -19.969 1.00 0.00 N ATOM 1294 CA LYS A 82 15.298 11.743 -19.780 1.00 0.00 C ATOM 1295 C LYS A 82 16.236 10.582 -19.463 1.00 0.00 C ATOM 1296 O LYS A 82 17.319 10.471 -20.038 1.00 0.00 O ATOM 1297 CB LYS A 82 15.352 12.778 -18.655 1.00 0.00 C ATOM 1298 CG LYS A 82 16.745 13.325 -18.397 1.00 0.00 C ATOM 1299 CD LYS A 82 16.732 14.398 -17.321 1.00 0.00 C ATOM 1300 CE LYS A 82 16.632 13.791 -15.930 1.00 0.00 C ATOM 1301 NZ LYS A 82 17.844 12.998 -15.582 1.00 0.00 N ATOM 0 H LYS A 82 13.253 11.680 -19.327 1.00 0.00 H new ATOM 0 HA LYS A 82 15.626 12.209 -20.709 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.686 13.605 -18.902 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.973 12.326 -17.738 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.406 12.513 -18.094 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.151 13.739 -19.320 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.639 14.998 -17.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.891 15.071 -17.487 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.495 14.585 -15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.751 13.151 -15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.582 11.999 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.544 13.081 -16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.253 13.360 -14.697 1.00 0.00 H new ATOM 1315 N HIS A 83 15.812 9.719 -18.546 1.00 0.00 N ATOM 1316 CA HIS A 83 16.613 8.565 -18.154 1.00 0.00 C ATOM 1317 C HIS A 83 17.195 7.866 -19.379 1.00 0.00 C ATOM 1318 O HIS A 83 18.371 7.502 -19.397 1.00 0.00 O ATOM 1319 CB HIS A 83 15.768 7.581 -17.345 1.00 0.00 C ATOM 1320 CG HIS A 83 16.229 6.161 -17.458 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.289 5.654 -16.736 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.767 5.137 -18.213 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.460 4.381 -17.044 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.549 4.042 -17.938 1.00 0.00 N ATOM 0 H HIS A 83 14.918 9.797 -18.060 1.00 0.00 H new ATOM 0 HA HIS A 83 17.436 8.920 -17.534 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.785 7.877 -16.296 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.732 7.645 -17.678 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.853 6.180 -16.068 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.937 5.174 -18.904 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.216 3.728 -16.634 1.00 0.00 H new ATOM 1332 N ILE A 84 16.364 7.682 -20.399 1.00 0.00 N ATOM 1333 CA ILE A 84 16.797 7.027 -21.627 1.00 0.00 C ATOM 1334 C ILE A 84 17.809 7.884 -22.380 1.00 0.00 C ATOM 1335 O ILE A 84 18.882 7.410 -22.754 1.00 0.00 O ATOM 1336 CB ILE A 84 15.605 6.727 -22.555 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.616 5.786 -21.863 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.091 6.122 -23.864 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.204 5.897 -22.395 1.00 0.00 C ATOM 0 H ILE A 84 15.388 7.977 -20.400 1.00 0.00 H new ATOM 0 HA ILE A 84 17.266 6.087 -21.335 1.00 0.00 H new ATOM 0 HB ILE A 84 15.093 7.663 -22.778 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.961 4.759 -21.981 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.611 5.999 -20.794 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.237 5.916 -24.509 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.761 6.823 -24.362 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.624 5.193 -23.660 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.558 5.202 -21.859 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.840 6.915 -22.252 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.195 5.655 -23.458 1.00 0.00 H new ATOM 1351 N ARG A 85 17.461 9.148 -22.597 1.00 0.00 N ATOM 1352 CA ARG A 85 18.340 10.072 -23.304 1.00 0.00 C ATOM 1353 C ARG A 85 19.639 10.284 -22.533 1.00 0.00 C ATOM 1354 O ARG A 85 20.639 10.732 -23.094 1.00 0.00 O ATOM 1355 CB ARG A 85 17.637 11.413 -23.519 1.00 0.00 C ATOM 1356 CG ARG A 85 16.337 11.302 -24.299 1.00 0.00 C ATOM 1357 CD ARG A 85 15.570 12.615 -24.294 1.00 0.00 C ATOM 1358 NE ARG A 85 16.338 13.700 -24.897 1.00 0.00 N ATOM 1359 CZ ARG A 85 15.812 14.610 -25.709 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.523 14.566 -26.013 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.577 15.568 -26.219 1.00 0.00 N ATOM 0 H ARG A 85 16.577 9.556 -22.293 1.00 0.00 H new ATOM 0 HA ARG A 85 18.581 9.636 -24.274 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.431 11.865 -22.549 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.312 12.086 -24.048 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.552 11.009 -25.327 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.718 10.516 -23.866 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.633 12.489 -24.836 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.312 12.880 -23.269 1.00 0.00 H new ATOM 0 HE ARG A 85 17.333 13.763 -24.683 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.932 13.832 -25.623 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.122 15.266 -26.637 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.570 15.606 -25.987 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.172 16.266 -26.842 1.00 0.00 H new ATOM 1375 N ASP A 86 19.616 9.960 -21.245 1.00 0.00 N ATOM 1376 CA ASP A 86 20.792 10.115 -20.396 1.00 0.00 C ATOM 1377 C ASP A 86 21.615 8.831 -20.369 1.00 0.00 C ATOM 1378 O ASP A 86 22.751 8.800 -20.841 1.00 0.00 O ATOM 1379 CB ASP A 86 20.376 10.499 -18.976 1.00 0.00 C ATOM 1380 CG ASP A 86 19.957 11.952 -18.868 1.00 0.00 C ATOM 1381 OD1 ASP A 86 19.346 12.467 -19.828 1.00 0.00 O ATOM 1382 OD2 ASP A 86 20.240 12.574 -17.823 1.00 0.00 O ATOM 0 H ASP A 86 18.796 9.588 -20.766 1.00 0.00 H new ATOM 0 HA ASP A 86 21.408 10.912 -20.813 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.551 9.862 -18.657 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.206 10.312 -18.294 1.00 0.00 H new ATOM 1387 N ALA A 87 21.034 7.773 -19.812 1.00 0.00 N ATOM 1388 CA ALA A 87 21.713 6.486 -19.724 1.00 0.00 C ATOM 1389 C ALA A 87 21.761 5.797 -21.083 1.00 0.00 C ATOM 1390 O ALA A 87 22.822 5.363 -21.533 1.00 0.00 O ATOM 1391 CB ALA A 87 21.024 5.595 -18.701 1.00 0.00 C ATOM 0 H ALA A 87 20.094 7.782 -19.415 1.00 0.00 H new ATOM 0 HA ALA A 87 22.739 6.665 -19.401 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.541 4.637 -18.646 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.048 6.077 -17.724 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.989 5.431 -19.000 1.00 0.00 H new ATOM 1397 N HIS A 88 20.605 5.698 -21.733 1.00 0.00 N ATOM 1398 CA HIS A 88 20.516 5.060 -23.041 1.00 0.00 C ATOM 1399 C HIS A 88 20.631 6.094 -24.158 1.00 0.00 C ATOM 1400 O HIS A 88 19.975 5.978 -25.194 1.00 0.00 O ATOM 1401 CB HIS A 88 19.198 4.296 -23.171 1.00 0.00 C ATOM 1402 CG HIS A 88 18.925 3.374 -22.023 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.781 2.357 -21.655 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.885 3.319 -21.159 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.278 1.716 -20.615 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.128 2.281 -20.294 1.00 0.00 N ATOM 0 H HIS A 88 19.718 6.051 -21.375 1.00 0.00 H new ATOM 0 HA HIS A 88 21.344 4.358 -23.133 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.380 5.011 -23.255 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.212 3.718 -24.095 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.664 2.135 -22.114 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.024 3.971 -21.151 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.730 0.874 -20.113 1.00 0.00 H new ATOM 1414 N ASP A 89 21.466 7.103 -23.940 1.00 0.00 N ATOM 1415 CA ASP A 89 21.667 8.157 -24.928 1.00 0.00 C ATOM 1416 C ASP A 89 22.095 7.570 -26.269 1.00 0.00 C ATOM 1417 O ASP A 89 23.200 7.050 -26.422 1.00 0.00 O ATOM 1418 CB ASP A 89 22.717 9.154 -24.435 1.00 0.00 C ATOM 1419 CG ASP A 89 24.099 8.540 -24.340 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.801 8.497 -25.372 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.479 8.100 -23.235 1.00 0.00 O ATOM 0 H ASP A 89 22.015 7.214 -23.088 1.00 0.00 H new ATOM 0 HA ASP A 89 20.719 8.678 -25.066 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.748 10.008 -25.111 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.423 9.533 -23.456 1.00 0.00 H new ATOM 1426 N PRO A 90 21.200 7.653 -27.265 1.00 0.00 N ATOM 1427 CA PRO A 90 21.462 7.134 -28.610 1.00 0.00 C ATOM 1428 C PRO A 90 22.511 7.955 -29.353 1.00 0.00 C ATOM 1429 O PRO A 90 23.114 8.866 -28.787 1.00 0.00 O ATOM 1430 CB PRO A 90 20.103 7.248 -29.306 1.00 0.00 C ATOM 1431 CG PRO A 90 19.397 8.341 -28.581 1.00 0.00 C ATOM 1432 CD PRO A 90 19.863 8.259 -27.153 1.00 0.00 C ATOM 0 HA PRO A 90 21.859 6.119 -28.585 1.00 0.00 H new ATOM 0 HB2 PRO A 90 20.218 7.485 -30.364 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.548 6.311 -29.248 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.634 9.313 -29.014 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.316 8.218 -28.646 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.906 9.243 -26.687 1.00 0.00 H new ATOM 0 HD3 PRO A 90 19.194 7.648 -26.547 1.00 0.00 H new ATOM 1440 N GLN A 91 22.722 7.626 -30.624 1.00 0.00 N ATOM 1441 CA GLN A 91 23.699 8.334 -31.443 1.00 0.00 C ATOM 1442 C GLN A 91 23.135 9.662 -31.937 1.00 0.00 C ATOM 1443 O GLN A 91 22.626 9.755 -33.054 1.00 0.00 O ATOM 1444 CB GLN A 91 24.118 7.470 -32.634 1.00 0.00 C ATOM 1445 CG GLN A 91 24.990 8.204 -33.640 1.00 0.00 C ATOM 1446 CD GLN A 91 26.464 8.145 -33.288 1.00 0.00 C ATOM 1447 OE1 GLN A 91 26.921 8.822 -32.366 1.00 0.00 O ATOM 1448 NE2 GLN A 91 27.216 7.333 -34.021 1.00 0.00 N ATOM 0 H GLN A 91 22.230 6.875 -31.108 1.00 0.00 H new ATOM 0 HA GLN A 91 24.574 8.539 -30.826 1.00 0.00 H new ATOM 0 HB2 GLN A 91 24.657 6.597 -32.267 1.00 0.00 H new ATOM 0 HB3 GLN A 91 23.224 7.104 -33.139 1.00 0.00 H new ATOM 0 HG2 GLN A 91 24.839 7.772 -34.629 1.00 0.00 H new ATOM 0 HG3 GLN A 91 24.675 9.246 -33.696 1.00 0.00 H new ATOM 0 HE21 GLN A 91 26.795 6.791 -34.775 1.00 0.00 H new ATOM 0 HE22 GLN A 91 28.215 7.251 -33.830 1.00 0.00 H new ATOM 1457 N ASP A 92 23.228 10.687 -31.098 1.00 0.00 N ATOM 1458 CA ASP A 92 22.727 12.011 -31.449 1.00 0.00 C ATOM 1459 C ASP A 92 23.811 12.837 -32.135 1.00 0.00 C ATOM 1460 O ASP A 92 23.755 14.065 -32.084 1.00 0.00 O ATOM 1461 CB ASP A 92 22.228 12.739 -30.200 1.00 0.00 C ATOM 1462 CG ASP A 92 23.349 13.059 -29.230 1.00 0.00 C ATOM 1463 OD1 ASP A 92 24.073 12.124 -28.831 1.00 0.00 O ATOM 1464 OD2 ASP A 92 23.500 14.245 -28.869 1.00 0.00 O ATOM 0 H ASP A 92 23.646 10.627 -30.169 1.00 0.00 H new ATOM 0 HA ASP A 92 21.896 11.886 -32.143 1.00 0.00 H new ATOM 0 HB2 ASP A 92 21.732 13.664 -30.496 1.00 0.00 H new ATOM 0 HB3 ASP A 92 21.482 12.123 -29.698 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 -26.372 10.645 -28.823 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -9.387 1.421 -20.111 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.521 2.350 -19.100 1.00 0.00 ZN