USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 TYR OH : rot 76:sc= 0.262 USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 0:sc= -4.42! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0273) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 57:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= -0.459 (180deg=-2.6!) USER MOD Single : A 29 MET CE :methyl -121:sc= -0.166 (180deg=-2.61!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -140:sc= 0.141 USER MOD Single : A 32 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-14!) USER MOD Single : A 36 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -0.554 (180deg=-2.22!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 0:sc= -0.543 USER MOD Single : A 57 THR OG1 : rot -42:sc= 0.417! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.62) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 64.874 -6.753 2.238 1.00 0.00 N ATOM 53 CA ASP A 4 63.439 -6.683 2.649 1.00 0.00 C ATOM 54 C ASP A 4 62.882 -5.289 2.492 1.00 0.00 C ATOM 55 O ASP A 4 62.198 -4.819 3.363 1.00 0.00 O ATOM 56 CB ASP A 4 63.357 -7.111 4.128 1.00 0.00 C ATOM 57 CG ASP A 4 64.731 -7.525 4.677 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.669 -6.761 4.519 1.00 0.00 O ATOM 59 OD2 ASP A 4 64.818 -8.601 5.244 1.00 0.00 O ATOM 0 HA ASP A 4 62.848 -7.341 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.960 -6.289 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.660 -7.943 4.228 1.00 0.00 H new ATOM 64 N TYR A 5 63.139 -4.664 1.370 1.00 0.00 N ATOM 65 CA TYR A 5 62.598 -3.293 1.085 1.00 0.00 C ATOM 66 C TYR A 5 62.158 -2.577 2.367 1.00 0.00 C ATOM 67 O TYR A 5 62.850 -1.721 2.873 1.00 0.00 O ATOM 68 CB TYR A 5 61.406 -3.506 0.146 1.00 0.00 C ATOM 69 CG TYR A 5 61.105 -4.979 -0.037 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.280 -5.653 0.868 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.666 -5.664 -1.120 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.011 -7.014 0.688 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.398 -7.026 -1.302 1.00 0.00 C ATOM 74 CZ TYR A 5 60.571 -7.701 -0.398 1.00 0.00 C ATOM 75 OH TYR A 5 60.304 -9.043 -0.577 1.00 0.00 O ATOM 0 H TYR A 5 63.713 -5.053 0.622 1.00 0.00 H new ATOM 0 HA TYR A 5 63.362 -2.658 0.637 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.528 -3.001 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.618 -3.053 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.851 -5.123 1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.306 -5.142 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.372 -7.535 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.829 -7.555 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 5 59.397 -9.152 -0.932 1.00 0.00 H new ATOM 85 N TYR A 6 61.030 -2.940 2.927 1.00 0.00 N ATOM 86 CA TYR A 6 60.612 -2.301 4.202 1.00 0.00 C ATOM 87 C TYR A 6 61.837 -2.207 5.111 1.00 0.00 C ATOM 88 O TYR A 6 62.005 -1.266 5.859 1.00 0.00 O ATOM 89 CB TYR A 6 59.562 -3.230 4.783 1.00 0.00 C ATOM 90 CG TYR A 6 58.213 -2.874 4.202 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.586 -1.682 4.578 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.586 -3.741 3.298 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.333 -1.354 4.051 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.331 -3.413 2.769 1.00 0.00 C ATOM 95 CZ TYR A 6 55.706 -2.217 3.150 1.00 0.00 C ATOM 96 OH TYR A 6 54.471 -1.886 2.636 1.00 0.00 O ATOM 0 H TYR A 6 60.391 -3.644 2.558 1.00 0.00 H new ATOM 0 HA TYR A 6 60.211 -1.295 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.809 -4.267 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.540 -3.140 5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 6 58.070 -1.014 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.070 -4.662 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.850 -0.433 4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.847 -4.079 2.070 1.00 0.00 H new ATOM 0 HH TYR A 6 54.183 -1.025 3.005 1.00 0.00 H new ATOM 106 N GLU A 7 62.726 -3.163 4.996 1.00 0.00 N ATOM 107 CA GLU A 7 63.981 -3.119 5.792 1.00 0.00 C ATOM 108 C GLU A 7 65.023 -2.332 4.993 1.00 0.00 C ATOM 109 O GLU A 7 65.852 -1.633 5.539 1.00 0.00 O ATOM 110 CB GLU A 7 64.410 -4.575 5.959 1.00 0.00 C ATOM 111 CG GLU A 7 65.358 -4.694 7.154 1.00 0.00 C ATOM 112 CD GLU A 7 64.544 -4.891 8.434 1.00 0.00 C ATOM 113 OE1 GLU A 7 64.134 -3.898 9.011 1.00 0.00 O ATOM 114 OE2 GLU A 7 64.345 -6.033 8.815 1.00 0.00 O ATOM 0 H GLU A 7 62.632 -3.972 4.382 1.00 0.00 H new ATOM 0 HA GLU A 7 63.861 -2.639 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.536 -5.208 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.904 -4.926 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.038 -5.534 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.972 -3.797 7.235 1.00 0.00 H new ATOM 121 N ILE A 8 64.958 -2.436 3.688 1.00 0.00 N ATOM 122 CA ILE A 8 65.909 -1.690 2.818 1.00 0.00 C ATOM 123 C ILE A 8 65.967 -0.229 3.256 1.00 0.00 C ATOM 124 O ILE A 8 67.023 0.346 3.433 1.00 0.00 O ATOM 125 CB ILE A 8 65.321 -1.784 1.418 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.545 -3.198 0.872 1.00 0.00 C ATOM 127 CG2 ILE A 8 66.001 -0.774 0.502 1.00 0.00 C ATOM 128 CD1 ILE A 8 67.040 -3.428 0.630 1.00 0.00 C ATOM 0 H ILE A 8 64.280 -3.011 3.188 1.00 0.00 H new ATOM 0 HA ILE A 8 66.920 -2.094 2.868 1.00 0.00 H new ATOM 0 HB ILE A 8 64.253 -1.568 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.164 -3.935 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.992 -3.331 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.576 -0.846 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.845 0.232 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.070 -0.984 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 8 67.195 -4.435 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.408 -2.700 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.582 -3.314 1.569 1.00 0.00 H new ATOM 140 N LEU A 9 64.820 0.364 3.438 1.00 0.00 N ATOM 141 CA LEU A 9 64.759 1.792 3.875 1.00 0.00 C ATOM 142 C LEU A 9 65.045 1.862 5.376 1.00 0.00 C ATOM 143 O LEU A 9 65.320 2.910 5.926 1.00 0.00 O ATOM 144 CB LEU A 9 63.325 2.231 3.562 1.00 0.00 C ATOM 145 CG LEU A 9 62.892 1.663 2.210 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.761 0.655 2.411 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.401 2.800 1.317 1.00 0.00 C ATOM 0 H LEU A 9 63.913 -0.082 3.302 1.00 0.00 H new ATOM 0 HA LEU A 9 65.487 2.432 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.650 1.885 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 9 63.263 3.319 3.546 1.00 0.00 H new ATOM 0 HG LEU A 9 63.740 1.165 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.456 0.253 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 9 62.107 -0.158 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.912 1.150 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.092 2.397 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.554 3.296 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.206 3.520 1.169 1.00 0.00 H new ATOM 159 N GLY A 10 64.989 0.739 6.040 1.00 0.00 N ATOM 160 CA GLY A 10 65.256 0.717 7.503 1.00 0.00 C ATOM 161 C GLY A 10 63.924 0.752 8.247 1.00 0.00 C ATOM 162 O GLY A 10 63.850 1.170 9.385 1.00 0.00 O ATOM 0 H GLY A 10 64.768 -0.168 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.815 -0.180 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.870 1.572 7.787 1.00 0.00 H new ATOM 166 N VAL A 11 62.865 0.334 7.606 1.00 0.00 N ATOM 167 CA VAL A 11 61.534 0.367 8.283 1.00 0.00 C ATOM 168 C VAL A 11 60.971 -1.041 8.476 1.00 0.00 C ATOM 169 O VAL A 11 61.520 -2.018 8.007 1.00 0.00 O ATOM 170 CB VAL A 11 60.586 1.138 7.358 1.00 0.00 C ATOM 171 CG1 VAL A 11 60.037 2.360 8.089 1.00 0.00 C ATOM 172 CG2 VAL A 11 61.282 1.603 6.084 1.00 0.00 C ATOM 0 H VAL A 11 62.862 -0.026 6.652 1.00 0.00 H new ATOM 0 HA VAL A 11 61.635 0.831 9.264 1.00 0.00 H new ATOM 0 HB VAL A 11 59.780 0.459 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 59.363 2.906 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.493 2.039 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.862 3.009 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.572 2.145 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 62.113 2.259 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.659 0.738 5.539 1.00 0.00 H new ATOM 182 N SER A 12 59.853 -1.136 9.147 1.00 0.00 N ATOM 183 CA SER A 12 59.211 -2.461 9.358 1.00 0.00 C ATOM 184 C SER A 12 58.443 -2.864 8.102 1.00 0.00 C ATOM 185 O SER A 12 58.104 -2.036 7.280 1.00 0.00 O ATOM 186 CB SER A 12 58.256 -2.259 10.533 1.00 0.00 C ATOM 187 OG SER A 12 58.999 -2.245 11.744 1.00 0.00 O ATOM 0 H SER A 12 59.356 -0.346 9.559 1.00 0.00 H new ATOM 0 HA SER A 12 59.935 -3.250 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 12 57.711 -1.322 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.515 -3.058 10.556 1.00 0.00 H new ATOM 0 HG SER A 12 58.390 -2.114 12.500 1.00 0.00 H new ATOM 193 N LYS A 13 58.167 -4.127 7.937 1.00 0.00 N ATOM 194 CA LYS A 13 57.426 -4.561 6.723 1.00 0.00 C ATOM 195 C LYS A 13 56.095 -3.818 6.610 1.00 0.00 C ATOM 196 O LYS A 13 55.478 -3.781 5.565 1.00 0.00 O ATOM 197 CB LYS A 13 57.220 -6.054 6.882 1.00 0.00 C ATOM 198 CG LYS A 13 56.517 -6.348 8.209 1.00 0.00 C ATOM 199 CD LYS A 13 55.424 -7.396 7.992 1.00 0.00 C ATOM 200 CE LYS A 13 55.614 -8.541 8.990 1.00 0.00 C ATOM 201 NZ LYS A 13 55.107 -8.014 10.289 1.00 0.00 N ATOM 0 H LYS A 13 58.421 -4.872 8.586 1.00 0.00 H new ATOM 0 HA LYS A 13 57.975 -4.337 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.625 -6.437 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.181 -6.567 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 57.239 -6.708 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 56.082 -5.433 8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 13 54.441 -6.944 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 13 55.467 -7.777 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.061 -9.428 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.663 -8.829 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 55.828 -8.153 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 54.899 -6.999 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 54.239 -8.522 10.555 1.00 0.00 H new ATOM 215 N THR A 14 55.659 -3.209 7.675 1.00 0.00 N ATOM 216 CA THR A 14 54.383 -2.444 7.630 1.00 0.00 C ATOM 217 C THR A 14 54.670 -0.965 7.911 1.00 0.00 C ATOM 218 O THR A 14 53.774 -0.161 8.077 1.00 0.00 O ATOM 219 CB THR A 14 53.517 -3.059 8.729 1.00 0.00 C ATOM 220 OG1 THR A 14 53.985 -2.626 9.999 1.00 0.00 O ATOM 221 CG2 THR A 14 53.602 -4.584 8.645 1.00 0.00 C ATOM 0 H THR A 14 56.133 -3.208 8.578 1.00 0.00 H new ATOM 0 HA THR A 14 53.886 -2.495 6.661 1.00 0.00 H new ATOM 0 HB THR A 14 52.482 -2.744 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.429 -3.019 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.985 -5.026 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.244 -4.915 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.637 -4.899 8.777 1.00 0.00 H new ATOM 229 N ALA A 15 55.928 -0.611 7.967 1.00 0.00 N ATOM 230 CA ALA A 15 56.323 0.802 8.241 1.00 0.00 C ATOM 231 C ALA A 15 55.412 1.826 7.589 1.00 0.00 C ATOM 232 O ALA A 15 55.325 2.956 8.022 1.00 0.00 O ATOM 233 CB ALA A 15 57.698 0.918 7.632 1.00 0.00 C ATOM 0 H ALA A 15 56.710 -1.252 7.832 1.00 0.00 H new ATOM 0 HA ALA A 15 56.274 1.007 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 15 58.078 1.928 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 15 58.369 0.203 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.642 0.706 6.564 1.00 0.00 H new ATOM 239 N GLU A 16 54.787 1.462 6.528 1.00 0.00 N ATOM 240 CA GLU A 16 53.922 2.426 5.790 1.00 0.00 C ATOM 241 C GLU A 16 54.828 3.391 5.018 1.00 0.00 C ATOM 242 O GLU A 16 55.893 3.762 5.471 1.00 0.00 O ATOM 243 CB GLU A 16 53.078 3.163 6.840 1.00 0.00 C ATOM 244 CG GLU A 16 51.595 2.940 6.547 1.00 0.00 C ATOM 245 CD GLU A 16 50.827 2.832 7.866 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.442 3.016 8.903 1.00 0.00 O ATOM 247 OE2 GLU A 16 49.637 2.568 7.815 1.00 0.00 O ATOM 0 H GLU A 16 54.831 0.527 6.124 1.00 0.00 H new ATOM 0 HA GLU A 16 53.263 1.935 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.321 2.800 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.307 4.229 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.203 3.764 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.462 2.031 5.960 1.00 0.00 H new ATOM 254 N GLU A 17 54.430 3.759 3.839 1.00 0.00 N ATOM 255 CA GLU A 17 55.270 4.660 2.982 1.00 0.00 C ATOM 256 C GLU A 17 55.617 6.009 3.646 1.00 0.00 C ATOM 257 O GLU A 17 56.291 6.825 3.048 1.00 0.00 O ATOM 258 CB GLU A 17 54.417 4.901 1.737 1.00 0.00 C ATOM 259 CG GLU A 17 53.217 5.779 2.101 1.00 0.00 C ATOM 260 CD GLU A 17 52.405 6.086 0.841 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.919 5.858 -0.241 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.283 6.545 0.980 1.00 0.00 O ATOM 0 H GLU A 17 53.546 3.474 3.418 1.00 0.00 H new ATOM 0 HA GLU A 17 56.234 4.194 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 17 55.013 5.384 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 17 54.075 3.950 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.591 5.271 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.558 6.706 2.561 1.00 0.00 H new ATOM 269 N ARG A 18 55.176 6.282 4.845 1.00 0.00 N ATOM 270 CA ARG A 18 55.517 7.609 5.456 1.00 0.00 C ATOM 271 C ARG A 18 56.867 7.564 6.184 1.00 0.00 C ATOM 272 O ARG A 18 57.577 8.548 6.242 1.00 0.00 O ATOM 273 CB ARG A 18 54.382 7.913 6.433 1.00 0.00 C ATOM 274 CG ARG A 18 54.169 6.715 7.358 1.00 0.00 C ATOM 275 CD ARG A 18 53.769 7.209 8.751 1.00 0.00 C ATOM 276 NE ARG A 18 54.926 8.022 9.221 1.00 0.00 N ATOM 277 CZ ARG A 18 54.725 9.210 9.724 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.806 9.386 10.636 1.00 0.00 N ATOM 279 NH2 ARG A 18 55.444 10.221 9.319 1.00 0.00 N ATOM 0 H ARG A 18 54.606 5.662 5.421 1.00 0.00 H new ATOM 0 HA ARG A 18 55.614 8.381 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.621 8.800 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.465 8.130 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.393 6.064 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.082 6.123 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.858 7.806 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.574 6.374 9.424 1.00 0.00 H new ATOM 0 HE ARG A 18 55.873 7.651 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.246 8.595 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.649 10.314 11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 18 56.163 10.083 8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 18 55.287 11.149 9.712 1.00 0.00 H new ATOM 293 N GLU A 19 57.247 6.433 6.700 1.00 0.00 N ATOM 294 CA GLU A 19 58.570 6.328 7.371 1.00 0.00 C ATOM 295 C GLU A 19 59.527 5.672 6.385 1.00 0.00 C ATOM 296 O GLU A 19 60.729 5.708 6.544 1.00 0.00 O ATOM 297 CB GLU A 19 58.400 5.467 8.637 1.00 0.00 C ATOM 298 CG GLU A 19 57.105 4.656 8.599 1.00 0.00 C ATOM 299 CD GLU A 19 57.062 3.710 9.801 1.00 0.00 C ATOM 300 OE1 GLU A 19 58.093 3.139 10.118 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.999 3.571 10.383 1.00 0.00 O ATOM 0 H GLU A 19 56.698 5.574 6.687 1.00 0.00 H new ATOM 0 HA GLU A 19 58.963 7.301 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.250 4.791 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.401 6.110 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.244 5.324 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.047 4.086 7.672 1.00 0.00 H new ATOM 308 N ILE A 20 58.988 5.112 5.330 1.00 0.00 N ATOM 309 CA ILE A 20 59.849 4.504 4.287 1.00 0.00 C ATOM 310 C ILE A 20 60.382 5.661 3.458 1.00 0.00 C ATOM 311 O ILE A 20 61.573 5.879 3.353 1.00 0.00 O ATOM 312 CB ILE A 20 58.912 3.573 3.486 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.367 2.127 3.663 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.912 3.905 1.984 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.631 1.499 4.846 1.00 0.00 C ATOM 0 H ILE A 20 57.985 5.053 5.152 1.00 0.00 H new ATOM 0 HA ILE A 20 60.698 3.927 4.653 1.00 0.00 H new ATOM 0 HB ILE A 20 57.901 3.717 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.168 1.559 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.443 2.092 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.239 3.225 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.576 4.932 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.921 3.794 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.957 0.466 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.853 2.062 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.557 1.520 4.659 1.00 0.00 H new ATOM 327 N ARG A 21 59.490 6.437 2.911 1.00 0.00 N ATOM 328 CA ARG A 21 59.933 7.619 2.141 1.00 0.00 C ATOM 329 C ARG A 21 60.902 8.375 3.030 1.00 0.00 C ATOM 330 O ARG A 21 61.834 9.002 2.579 1.00 0.00 O ATOM 331 CB ARG A 21 58.657 8.439 1.912 1.00 0.00 C ATOM 332 CG ARG A 21 57.995 8.740 3.262 1.00 0.00 C ATOM 333 CD ARG A 21 58.582 10.026 3.855 1.00 0.00 C ATOM 334 NE ARG A 21 57.665 11.109 3.408 1.00 0.00 N ATOM 335 CZ ARG A 21 56.511 11.272 3.994 1.00 0.00 C ATOM 336 NH1 ARG A 21 56.448 11.365 5.295 1.00 0.00 N ATOM 337 NH2 ARG A 21 55.421 11.346 3.280 1.00 0.00 N ATOM 0 H ARG A 21 58.481 6.301 2.966 1.00 0.00 H new ATOM 0 HA ARG A 21 60.420 7.388 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 21 58.897 9.369 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 21 57.968 7.889 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 21 56.918 8.847 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.153 7.908 3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 21 58.630 9.973 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.598 10.197 3.499 1.00 0.00 H new ATOM 0 HE ARG A 21 57.939 11.725 2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 21 57.301 11.310 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 21 55.546 11.492 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 21 55.471 11.276 2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 21 54.519 11.473 3.738 1.00 0.00 H new ATOM 351 N LYS A 22 60.663 8.282 4.308 1.00 0.00 N ATOM 352 CA LYS A 22 61.521 8.950 5.314 1.00 0.00 C ATOM 353 C LYS A 22 62.804 8.142 5.537 1.00 0.00 C ATOM 354 O LYS A 22 63.896 8.673 5.530 1.00 0.00 O ATOM 355 CB LYS A 22 60.659 8.948 6.582 1.00 0.00 C ATOM 356 CG LYS A 22 61.056 10.128 7.471 1.00 0.00 C ATOM 357 CD LYS A 22 62.444 9.880 8.070 1.00 0.00 C ATOM 358 CE LYS A 22 62.330 8.894 9.235 1.00 0.00 C ATOM 359 NZ LYS A 22 62.318 9.743 10.459 1.00 0.00 N ATOM 0 H LYS A 22 59.885 7.754 4.704 1.00 0.00 H new ATOM 0 HA LYS A 22 61.832 9.951 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.604 9.017 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.791 8.011 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.060 11.049 6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.324 10.258 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.115 9.483 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.875 10.819 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.421 8.297 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.168 8.197 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.242 9.137 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.199 10.294 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.505 10.391 10.424 1.00 0.00 H new ATOM 373 N ALA A 23 62.673 6.863 5.747 1.00 0.00 N ATOM 374 CA ALA A 23 63.871 6.012 5.984 1.00 0.00 C ATOM 375 C ALA A 23 64.922 6.316 4.926 1.00 0.00 C ATOM 376 O ALA A 23 66.078 6.539 5.226 1.00 0.00 O ATOM 377 CB ALA A 23 63.368 4.576 5.855 1.00 0.00 C ATOM 0 H ALA A 23 61.782 6.367 5.765 1.00 0.00 H new ATOM 0 HA ALA A 23 64.331 6.187 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.195 3.885 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.592 4.394 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.957 4.423 4.857 1.00 0.00 H new ATOM 383 N TYR A 24 64.520 6.363 3.691 1.00 0.00 N ATOM 384 CA TYR A 24 65.479 6.693 2.618 1.00 0.00 C ATOM 385 C TYR A 24 65.838 8.162 2.770 1.00 0.00 C ATOM 386 O TYR A 24 66.984 8.546 2.747 1.00 0.00 O ATOM 387 CB TYR A 24 64.712 6.436 1.325 1.00 0.00 C ATOM 388 CG TYR A 24 65.641 6.584 0.142 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.988 6.209 0.247 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.156 7.112 -1.061 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.845 6.361 -0.850 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.013 7.262 -2.157 1.00 0.00 C ATOM 393 CZ TYR A 24 67.357 6.888 -2.051 1.00 0.00 C ATOM 394 OH TYR A 24 68.202 7.040 -3.132 1.00 0.00 O ATOM 0 H TYR A 24 63.564 6.186 3.382 1.00 0.00 H new ATOM 0 HA TYR A 24 66.402 6.114 2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.282 5.434 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.882 7.137 1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.365 5.803 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.119 7.404 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.882 6.072 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.637 7.667 -3.085 1.00 0.00 H new ATOM 0 HH TYR A 24 68.603 6.175 -3.358 1.00 0.00 H new ATOM 404 N LYS A 25 64.848 8.977 2.969 1.00 0.00 N ATOM 405 CA LYS A 25 65.089 10.426 3.173 1.00 0.00 C ATOM 406 C LYS A 25 66.177 10.624 4.231 1.00 0.00 C ATOM 407 O LYS A 25 66.991 11.521 4.147 1.00 0.00 O ATOM 408 CB LYS A 25 63.751 10.929 3.698 1.00 0.00 C ATOM 409 CG LYS A 25 63.191 12.001 2.762 1.00 0.00 C ATOM 410 CD LYS A 25 61.844 11.534 2.210 1.00 0.00 C ATOM 411 CE LYS A 25 61.106 12.720 1.580 1.00 0.00 C ATOM 412 NZ LYS A 25 61.095 13.773 2.634 1.00 0.00 N ATOM 0 H LYS A 25 63.868 8.697 2.999 1.00 0.00 H new ATOM 0 HA LYS A 25 65.420 10.944 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.047 10.100 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.875 11.339 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.071 12.942 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.888 12.187 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.996 10.751 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.242 11.102 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 25 61.614 13.068 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 25 60.093 12.444 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 60.221 14.331 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 61.140 13.326 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.917 14.398 2.509 1.00 0.00 H new ATOM 426 N ARG A 26 66.180 9.791 5.233 1.00 0.00 N ATOM 427 CA ARG A 26 67.194 9.918 6.314 1.00 0.00 C ATOM 428 C ARG A 26 68.595 9.582 5.786 1.00 0.00 C ATOM 429 O ARG A 26 69.526 10.346 5.938 1.00 0.00 O ATOM 430 CB ARG A 26 66.764 8.896 7.367 1.00 0.00 C ATOM 431 CG ARG A 26 65.794 9.553 8.348 1.00 0.00 C ATOM 432 CD ARG A 26 66.087 9.060 9.765 1.00 0.00 C ATOM 433 NE ARG A 26 67.435 9.601 10.084 1.00 0.00 N ATOM 434 CZ ARG A 26 67.872 9.580 11.312 1.00 0.00 C ATOM 435 NH1 ARG A 26 67.523 10.522 12.144 1.00 0.00 N ATOM 436 NH2 ARG A 26 68.655 8.615 11.708 1.00 0.00 N ATOM 0 H ARG A 26 65.519 9.023 5.350 1.00 0.00 H new ATOM 0 HA ARG A 26 67.246 10.931 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.289 8.041 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.636 8.518 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.893 10.638 8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.766 9.314 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.339 9.420 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.076 7.971 9.815 1.00 0.00 H new ATOM 0 HE ARG A 26 68.018 9.989 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 26 66.908 11.275 11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 26 67.865 10.506 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 26 68.925 7.878 11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 26 68.997 8.598 12.669 1.00 0.00 H new ATOM 450 N LEU A 27 68.747 8.441 5.175 1.00 0.00 N ATOM 451 CA LEU A 27 70.078 8.040 4.637 1.00 0.00 C ATOM 452 C LEU A 27 70.338 8.738 3.307 1.00 0.00 C ATOM 453 O LEU A 27 71.457 9.048 2.954 1.00 0.00 O ATOM 454 CB LEU A 27 69.977 6.527 4.441 1.00 0.00 C ATOM 455 CG LEU A 27 69.157 6.210 3.192 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.066 6.231 1.962 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.531 4.820 3.338 1.00 0.00 C ATOM 0 H LEU A 27 68.000 7.763 5.024 1.00 0.00 H new ATOM 0 HA LEU A 27 70.897 8.313 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.975 6.098 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.513 6.070 5.315 1.00 0.00 H new ATOM 0 HG LEU A 27 68.371 6.956 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.479 6.005 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.516 7.219 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.852 5.485 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.945 4.590 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.319 4.076 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.883 4.803 4.214 1.00 0.00 H new ATOM 469 N ALA A 28 69.298 8.973 2.569 1.00 0.00 N ATOM 470 CA ALA A 28 69.440 9.633 1.254 1.00 0.00 C ATOM 471 C ALA A 28 69.873 11.077 1.453 1.00 0.00 C ATOM 472 O ALA A 28 70.724 11.576 0.743 1.00 0.00 O ATOM 473 CB ALA A 28 68.050 9.532 0.640 1.00 0.00 C ATOM 0 H ALA A 28 68.341 8.731 2.827 1.00 0.00 H new ATOM 0 HA ALA A 28 70.194 9.178 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.053 9.998 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.770 8.483 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.331 10.043 1.281 1.00 0.00 H new ATOM 479 N MET A 29 69.347 11.747 2.438 1.00 0.00 N ATOM 480 CA MET A 29 69.814 13.134 2.668 1.00 0.00 C ATOM 481 C MET A 29 71.303 13.045 2.988 1.00 0.00 C ATOM 482 O MET A 29 72.074 13.948 2.732 1.00 0.00 O ATOM 483 CB MET A 29 69.002 13.667 3.856 1.00 0.00 C ATOM 484 CG MET A 29 69.592 13.146 5.167 1.00 0.00 C ATOM 485 SD MET A 29 68.307 13.127 6.441 1.00 0.00 S ATOM 486 CE MET A 29 69.398 13.351 7.866 1.00 0.00 C ATOM 0 H MET A 29 68.631 11.403 3.078 1.00 0.00 H new ATOM 0 HA MET A 29 69.679 13.800 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.009 14.757 3.852 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.962 13.354 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.993 12.142 5.024 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.422 13.779 5.482 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.283 12.509 8.548 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.433 13.405 7.527 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.137 14.274 8.383 1.00 0.00 H new ATOM 496 N LYS A 30 71.706 11.920 3.519 1.00 0.00 N ATOM 497 CA LYS A 30 73.140 11.698 3.831 1.00 0.00 C ATOM 498 C LYS A 30 73.821 11.118 2.591 1.00 0.00 C ATOM 499 O LYS A 30 75.023 11.193 2.429 1.00 0.00 O ATOM 500 CB LYS A 30 73.143 10.678 4.972 1.00 0.00 C ATOM 501 CG LYS A 30 72.924 11.391 6.309 1.00 0.00 C ATOM 502 CD LYS A 30 71.950 10.580 7.167 1.00 0.00 C ATOM 503 CE LYS A 30 72.613 10.224 8.502 1.00 0.00 C ATOM 504 NZ LYS A 30 72.065 8.886 8.860 1.00 0.00 N ATOM 0 H LYS A 30 71.092 11.139 3.751 1.00 0.00 H new ATOM 0 HA LYS A 30 73.668 12.610 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.359 9.938 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.091 10.140 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.874 11.508 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.528 12.392 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.040 11.154 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.657 9.671 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.698 10.194 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 30 72.380 10.964 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.473 8.574 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.031 8.947 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 72.308 8.201 8.116 1.00 0.00 H new ATOM 518 N TYR A 31 73.043 10.539 1.710 1.00 0.00 N ATOM 519 CA TYR A 31 73.613 9.947 0.465 1.00 0.00 C ATOM 520 C TYR A 31 73.147 10.741 -0.748 1.00 0.00 C ATOM 521 O TYR A 31 73.088 10.252 -1.855 1.00 0.00 O ATOM 522 CB TYR A 31 73.070 8.525 0.406 1.00 0.00 C ATOM 523 CG TYR A 31 74.154 7.528 0.770 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.490 7.759 0.406 1.00 0.00 C ATOM 525 CD2 TYR A 31 73.815 6.367 1.474 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.480 6.829 0.746 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.806 5.438 1.814 1.00 0.00 C ATOM 528 CZ TYR A 31 76.138 5.669 1.451 1.00 0.00 C ATOM 529 OH TYR A 31 77.114 4.753 1.786 1.00 0.00 O ATOM 0 H TYR A 31 72.031 10.452 1.803 1.00 0.00 H new ATOM 0 HA TYR A 31 74.703 9.963 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.228 8.422 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 31 72.694 8.314 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 31 75.754 8.655 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 72.788 6.187 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.507 7.007 0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.542 4.542 2.357 1.00 0.00 H new ATOM 0 HH TYR A 31 76.766 3.845 1.664 1.00 0.00 H new ATOM 539 N HIS A 32 72.821 11.965 -0.521 1.00 0.00 N ATOM 540 CA HIS A 32 72.369 12.871 -1.608 1.00 0.00 C ATOM 541 C HIS A 32 73.431 12.951 -2.721 1.00 0.00 C ATOM 542 O HIS A 32 74.119 11.977 -2.935 1.00 0.00 O ATOM 543 CB HIS A 32 72.138 14.159 -0.832 1.00 0.00 C ATOM 544 CG HIS A 32 73.458 14.766 -0.416 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.569 14.001 -0.080 1.00 0.00 N ATOM 546 CD2 HIS A 32 73.847 16.072 -0.264 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.558 14.851 0.253 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.170 16.125 0.158 1.00 0.00 N ATOM 0 H HIS A 32 72.847 12.398 0.402 1.00 0.00 H new ATOM 0 HA HIS A 32 71.478 12.566 -2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 32 71.582 14.867 -1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.530 13.956 0.049 1.00 0.00 H new ATOM 0 HD1 HIS A 32 74.624 12.983 -0.085 1.00 0.00 H new ATOM 0 HD2 HIS A 32 73.219 16.932 -0.445 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.546 14.540 0.560 1.00 0.00 H new ATOM 556 N PRO A 33 73.529 14.053 -3.444 1.00 0.00 N ATOM 557 CA PRO A 33 74.520 14.115 -4.555 1.00 0.00 C ATOM 558 C PRO A 33 75.957 13.981 -4.042 1.00 0.00 C ATOM 559 O PRO A 33 76.803 14.827 -4.249 1.00 0.00 O ATOM 560 CB PRO A 33 74.254 15.461 -5.215 1.00 0.00 C ATOM 561 CG PRO A 33 73.590 16.268 -4.159 1.00 0.00 C ATOM 562 CD PRO A 33 72.782 15.317 -3.335 1.00 0.00 C ATOM 0 HA PRO A 33 74.413 13.291 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 33 75.180 15.929 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 33 73.616 15.354 -6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.328 16.782 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 33 72.953 17.035 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 72.703 15.649 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 33 71.766 15.218 -3.717 1.00 0.00 H new ATOM 570 N ASP A 34 76.217 12.881 -3.403 1.00 0.00 N ATOM 571 CA ASP A 34 77.578 12.573 -2.873 1.00 0.00 C ATOM 572 C ASP A 34 77.920 11.125 -3.244 1.00 0.00 C ATOM 573 O ASP A 34 79.048 10.792 -3.548 1.00 0.00 O ATOM 574 CB ASP A 34 77.477 12.733 -1.357 1.00 0.00 C ATOM 575 CG ASP A 34 76.656 11.581 -0.774 1.00 0.00 C ATOM 576 OD1 ASP A 34 77.210 10.506 -0.617 1.00 0.00 O ATOM 577 OD2 ASP A 34 75.487 11.793 -0.499 1.00 0.00 O ATOM 0 H ASP A 34 75.523 12.157 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 34 78.353 13.223 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.473 12.743 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.010 13.687 -1.112 1.00 0.00 H new ATOM 582 N ARG A 35 76.923 10.276 -3.258 1.00 0.00 N ATOM 583 CA ARG A 35 77.123 8.859 -3.650 1.00 0.00 C ATOM 584 C ARG A 35 76.460 8.681 -5.009 1.00 0.00 C ATOM 585 O ARG A 35 76.832 7.839 -5.801 1.00 0.00 O ATOM 586 CB ARG A 35 76.404 8.024 -2.581 1.00 0.00 C ATOM 587 CG ARG A 35 74.916 8.407 -2.525 1.00 0.00 C ATOM 588 CD ARG A 35 74.171 7.808 -3.714 1.00 0.00 C ATOM 589 NE ARG A 35 73.041 7.047 -3.119 1.00 0.00 N ATOM 590 CZ ARG A 35 71.834 7.204 -3.586 1.00 0.00 C ATOM 591 NH1 ARG A 35 71.620 7.174 -4.873 1.00 0.00 N ATOM 592 NH2 ARG A 35 70.838 7.396 -2.765 1.00 0.00 N ATOM 0 H ARG A 35 75.963 10.516 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 35 78.170 8.563 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 35 76.506 6.963 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 35 76.867 8.188 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 35 74.476 8.050 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 35 74.812 9.492 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 35 73.811 8.587 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 35 74.821 7.157 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 35 73.210 6.403 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 35 72.398 7.027 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 35 70.675 7.297 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 35 71.004 7.423 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 35 69.893 7.519 -3.129 1.00 0.00 H new ATOM 606 N ASN A 36 75.476 9.506 -5.276 1.00 0.00 N ATOM 607 CA ASN A 36 74.756 9.448 -6.573 1.00 0.00 C ATOM 608 C ASN A 36 75.759 9.419 -7.726 1.00 0.00 C ATOM 609 O ASN A 36 75.434 9.060 -8.840 1.00 0.00 O ATOM 610 CB ASN A 36 73.938 10.736 -6.596 1.00 0.00 C ATOM 611 CG ASN A 36 72.628 10.525 -5.836 1.00 0.00 C ATOM 612 OD1 ASN A 36 71.592 10.311 -6.434 1.00 0.00 O ATOM 613 ND2 ASN A 36 72.630 10.581 -4.531 1.00 0.00 N ATOM 0 H ASN A 36 75.141 10.226 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 36 74.134 8.559 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 36 74.507 11.548 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 36 73.730 11.028 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 36 71.762 10.445 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.500 10.761 -4.030 1.00 0.00 H new ATOM 620 N GLN A 37 76.983 9.787 -7.460 1.00 0.00 N ATOM 621 CA GLN A 37 78.024 9.777 -8.522 1.00 0.00 C ATOM 622 C GLN A 37 78.462 8.338 -8.829 1.00 0.00 C ATOM 623 O GLN A 37 79.451 8.115 -9.499 1.00 0.00 O ATOM 624 CB GLN A 37 79.194 10.586 -7.942 1.00 0.00 C ATOM 625 CG GLN A 37 78.661 11.779 -7.134 1.00 0.00 C ATOM 626 CD GLN A 37 79.569 12.993 -7.346 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.259 13.415 -6.439 1.00 0.00 O ATOM 628 NE2 GLN A 37 79.597 13.578 -8.512 1.00 0.00 N ATOM 0 H GLN A 37 77.307 10.096 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 37 77.660 10.201 -9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 37 79.806 9.949 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 79.836 10.941 -8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 37 77.643 12.015 -7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 37 78.620 11.524 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 37 79.018 13.225 -9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.198 14.389 -8.662 1.00 0.00 H new ATOM 637 N GLY A 38 77.745 7.359 -8.338 1.00 0.00 N ATOM 638 CA GLY A 38 78.138 5.949 -8.597 1.00 0.00 C ATOM 639 C GLY A 38 78.976 5.472 -7.420 1.00 0.00 C ATOM 640 O GLY A 38 79.055 4.295 -7.131 1.00 0.00 O ATOM 0 H GLY A 38 76.906 7.479 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 38 77.254 5.322 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 38 78.706 5.876 -9.524 1.00 0.00 H new ATOM 644 N ASP A 39 79.589 6.398 -6.731 1.00 0.00 N ATOM 645 CA ASP A 39 80.425 6.037 -5.545 1.00 0.00 C ATOM 646 C ASP A 39 81.158 4.705 -5.771 1.00 0.00 C ATOM 647 O ASP A 39 81.720 4.466 -6.822 1.00 0.00 O ATOM 648 CB ASP A 39 79.430 5.926 -4.389 1.00 0.00 C ATOM 649 CG ASP A 39 78.405 4.831 -4.695 1.00 0.00 C ATOM 650 OD1 ASP A 39 78.756 3.668 -4.581 1.00 0.00 O ATOM 651 OD2 ASP A 39 77.286 5.174 -5.039 1.00 0.00 O ATOM 0 H ASP A 39 79.547 7.396 -6.939 1.00 0.00 H new ATOM 0 HA ASP A 39 81.202 6.776 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 39 79.957 5.696 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 39 78.924 6.880 -4.239 1.00 0.00 H new ATOM 656 N LYS A 40 81.164 3.841 -4.787 1.00 0.00 N ATOM 657 CA LYS A 40 81.867 2.533 -4.935 1.00 0.00 C ATOM 658 C LYS A 40 80.951 1.476 -5.554 1.00 0.00 C ATOM 659 O LYS A 40 81.329 0.782 -6.476 1.00 0.00 O ATOM 660 CB LYS A 40 82.250 2.137 -3.508 1.00 0.00 C ATOM 661 CG LYS A 40 83.764 1.930 -3.422 1.00 0.00 C ATOM 662 CD LYS A 40 84.478 3.234 -3.782 1.00 0.00 C ATOM 663 CE LYS A 40 85.837 2.917 -4.408 1.00 0.00 C ATOM 664 NZ LYS A 40 86.801 2.965 -3.273 1.00 0.00 N ATOM 0 H LYS A 40 80.710 3.987 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 40 82.730 2.610 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.938 2.913 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 40 81.731 1.222 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 40 84.042 1.616 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 84.072 1.135 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 83.871 3.813 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 84.611 3.846 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 40 85.834 1.936 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 40 86.097 3.643 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 87.759 2.758 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 86.786 3.913 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 86.532 2.258 -2.559 1.00 0.00 H new ATOM 678 N GLU A 41 79.763 1.328 -5.040 1.00 0.00 N ATOM 679 CA GLU A 41 78.838 0.287 -5.582 1.00 0.00 C ATOM 680 C GLU A 41 77.587 0.217 -4.715 1.00 0.00 C ATOM 681 O GLU A 41 76.504 -0.063 -5.188 1.00 0.00 O ATOM 682 CB GLU A 41 79.619 -1.016 -5.466 1.00 0.00 C ATOM 683 CG GLU A 41 80.282 -1.051 -4.093 1.00 0.00 C ATOM 684 CD GLU A 41 80.884 -2.434 -3.839 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.157 -3.127 -4.806 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.063 -2.778 -2.682 1.00 0.00 O ATOM 0 H GLU A 41 79.390 1.881 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 41 78.523 0.495 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.954 -1.871 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.370 -1.081 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.061 -0.290 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.550 -0.816 -3.320 1.00 0.00 H new ATOM 693 N ALA A 42 77.726 0.496 -3.446 1.00 0.00 N ATOM 694 CA ALA A 42 76.538 0.474 -2.551 1.00 0.00 C ATOM 695 C ALA A 42 75.439 1.316 -3.188 1.00 0.00 C ATOM 696 O ALA A 42 74.277 1.184 -2.861 1.00 0.00 O ATOM 697 CB ALA A 42 77.020 1.092 -1.238 1.00 0.00 C ATOM 0 H ALA A 42 78.608 0.737 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 42 76.134 -0.525 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.198 1.112 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.839 0.496 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.367 2.109 -1.420 1.00 0.00 H new ATOM 703 N GLU A 43 75.813 2.172 -4.111 1.00 0.00 N ATOM 704 CA GLU A 43 74.809 3.031 -4.815 1.00 0.00 C ATOM 705 C GLU A 43 73.490 2.303 -4.958 1.00 0.00 C ATOM 706 O GLU A 43 72.430 2.837 -4.714 1.00 0.00 O ATOM 707 CB GLU A 43 75.356 3.224 -6.221 1.00 0.00 C ATOM 708 CG GLU A 43 74.429 4.158 -7.003 1.00 0.00 C ATOM 709 CD GLU A 43 75.030 5.562 -7.042 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.346 6.075 -5.984 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.163 6.100 -8.129 1.00 0.00 O ATOM 0 H GLU A 43 76.779 2.312 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 43 74.650 3.959 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.361 3.644 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.434 2.262 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 74.289 3.783 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.445 4.186 -6.535 1.00 0.00 H new ATOM 718 N ALA A 44 73.557 1.090 -5.404 1.00 0.00 N ATOM 719 CA ALA A 44 72.317 0.334 -5.620 1.00 0.00 C ATOM 720 C ALA A 44 71.495 0.284 -4.338 1.00 0.00 C ATOM 721 O ALA A 44 70.374 0.739 -4.296 1.00 0.00 O ATOM 722 CB ALA A 44 72.761 -1.064 -6.049 1.00 0.00 C ATOM 0 H ALA A 44 74.419 0.593 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 44 71.681 0.796 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.884 -1.685 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.349 -0.994 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.367 -1.511 -5.261 1.00 0.00 H new ATOM 728 N LYS A 45 72.033 -0.254 -3.286 1.00 0.00 N ATOM 729 CA LYS A 45 71.243 -0.300 -2.031 1.00 0.00 C ATOM 730 C LYS A 45 70.657 1.084 -1.750 1.00 0.00 C ATOM 731 O LYS A 45 69.640 1.216 -1.100 1.00 0.00 O ATOM 732 CB LYS A 45 72.224 -0.700 -0.933 1.00 0.00 C ATOM 733 CG LYS A 45 71.559 -0.464 0.427 1.00 0.00 C ATOM 734 CD LYS A 45 72.544 -0.798 1.548 1.00 0.00 C ATOM 735 CE LYS A 45 72.448 0.266 2.642 1.00 0.00 C ATOM 736 NZ LYS A 45 72.570 -0.487 3.921 1.00 0.00 N ATOM 0 H LYS A 45 72.969 -0.657 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 45 70.414 -1.005 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.505 -1.748 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.140 -0.115 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.237 0.574 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.666 -1.083 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.321 -1.782 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.560 -0.840 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 45 73.241 1.007 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.501 0.803 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.513 0.176 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.798 -1.180 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.484 -0.983 3.946 1.00 0.00 H new ATOM 750 N PHE A 46 71.287 2.118 -2.243 1.00 0.00 N ATOM 751 CA PHE A 46 70.759 3.493 -2.008 1.00 0.00 C ATOM 752 C PHE A 46 69.545 3.750 -2.899 1.00 0.00 C ATOM 753 O PHE A 46 68.534 4.255 -2.452 1.00 0.00 O ATOM 754 CB PHE A 46 71.905 4.438 -2.365 1.00 0.00 C ATOM 755 CG PHE A 46 73.161 4.008 -1.643 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.080 3.137 -0.549 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.405 4.487 -2.064 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.244 2.747 0.124 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.570 4.097 -1.393 1.00 0.00 C ATOM 760 CZ PHE A 46 75.489 3.227 -0.298 1.00 0.00 C ATOM 0 H PHE A 46 72.142 2.069 -2.797 1.00 0.00 H new ATOM 0 HA PHE A 46 70.432 3.636 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 46 72.073 4.432 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.646 5.460 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.119 2.766 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.467 5.158 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.181 2.076 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.531 4.467 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.387 2.927 0.221 1.00 0.00 H new ATOM 770 N LYS A 47 69.614 3.394 -4.151 1.00 0.00 N ATOM 771 CA LYS A 47 68.429 3.612 -5.022 1.00 0.00 C ATOM 772 C LYS A 47 67.519 2.385 -4.911 1.00 0.00 C ATOM 773 O LYS A 47 66.351 2.422 -5.243 1.00 0.00 O ATOM 774 CB LYS A 47 68.999 3.824 -6.437 1.00 0.00 C ATOM 775 CG LYS A 47 68.679 2.634 -7.344 1.00 0.00 C ATOM 776 CD LYS A 47 69.419 1.396 -6.841 1.00 0.00 C ATOM 777 CE LYS A 47 70.103 0.698 -8.022 1.00 0.00 C ATOM 778 NZ LYS A 47 71.092 1.686 -8.543 1.00 0.00 N ATOM 0 H LYS A 47 70.424 2.969 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 47 67.820 4.473 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.583 4.735 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.079 3.962 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.605 2.449 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.974 2.855 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.160 1.680 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.721 0.714 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.595 -0.221 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 47 69.379 0.423 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 71.971 1.194 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 70.700 2.160 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.295 2.394 -7.809 1.00 0.00 H new ATOM 792 N GLU A 48 68.053 1.308 -4.404 1.00 0.00 N ATOM 793 CA GLU A 48 67.244 0.080 -4.210 1.00 0.00 C ATOM 794 C GLU A 48 66.131 0.433 -3.248 1.00 0.00 C ATOM 795 O GLU A 48 65.016 -0.041 -3.329 1.00 0.00 O ATOM 796 CB GLU A 48 68.206 -0.910 -3.561 1.00 0.00 C ATOM 797 CG GLU A 48 69.017 -1.624 -4.640 1.00 0.00 C ATOM 798 CD GLU A 48 68.209 -2.798 -5.196 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.102 -2.567 -5.652 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.713 -3.909 -5.159 1.00 0.00 O ATOM 0 H GLU A 48 69.028 1.229 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 48 66.811 -0.325 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.874 -0.387 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.650 -1.637 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.266 -0.929 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.959 -1.982 -4.224 1.00 0.00 H new ATOM 807 N ILE A 49 66.457 1.301 -2.345 1.00 0.00 N ATOM 808 CA ILE A 49 65.472 1.773 -1.344 1.00 0.00 C ATOM 809 C ILE A 49 64.330 2.468 -2.067 1.00 0.00 C ATOM 810 O ILE A 49 63.166 2.240 -1.803 1.00 0.00 O ATOM 811 CB ILE A 49 66.250 2.784 -0.518 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.368 2.064 0.226 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.319 3.469 0.475 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.564 3.001 0.387 1.00 0.00 C ATOM 0 H ILE A 49 67.386 1.714 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 49 65.048 0.972 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 49 66.678 3.541 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.015 1.737 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.665 1.169 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.883 4.192 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.524 3.983 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.882 2.723 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.362 2.484 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.922 3.306 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.262 3.882 0.953 1.00 0.00 H new ATOM 826 N LYS A 50 64.676 3.320 -2.985 1.00 0.00 N ATOM 827 CA LYS A 50 63.636 4.058 -3.757 1.00 0.00 C ATOM 828 C LYS A 50 62.676 3.066 -4.419 1.00 0.00 C ATOM 829 O LYS A 50 61.509 3.348 -4.608 1.00 0.00 O ATOM 830 CB LYS A 50 64.414 4.845 -4.814 1.00 0.00 C ATOM 831 CG LYS A 50 63.436 5.501 -5.790 1.00 0.00 C ATOM 832 CD LYS A 50 63.686 7.010 -5.831 1.00 0.00 C ATOM 833 CE LYS A 50 62.954 7.617 -7.029 1.00 0.00 C ATOM 834 NZ LYS A 50 63.481 9.006 -7.141 1.00 0.00 N ATOM 0 H LYS A 50 65.639 3.541 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 50 63.033 4.712 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.030 5.606 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.090 4.180 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.559 5.075 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.410 5.300 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.338 7.472 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.755 7.210 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 63.146 7.048 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.875 7.616 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.025 9.487 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.278 9.526 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 64.509 8.976 -7.295 1.00 0.00 H new ATOM 848 N GLU A 51 63.159 1.903 -4.766 1.00 0.00 N ATOM 849 CA GLU A 51 62.276 0.887 -5.409 1.00 0.00 C ATOM 850 C GLU A 51 61.265 0.359 -4.390 1.00 0.00 C ATOM 851 O GLU A 51 60.111 0.144 -4.704 1.00 0.00 O ATOM 852 CB GLU A 51 63.222 -0.228 -5.857 1.00 0.00 C ATOM 853 CG GLU A 51 62.418 -1.500 -6.144 1.00 0.00 C ATOM 854 CD GLU A 51 62.720 -1.986 -7.563 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.988 -1.150 -8.411 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.674 -3.186 -7.778 1.00 0.00 O ATOM 0 H GLU A 51 64.128 1.612 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 51 61.706 1.295 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.766 0.080 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.964 -0.422 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.673 -2.275 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.352 -1.301 -6.036 1.00 0.00 H new ATOM 863 N ALA A 52 61.695 0.159 -3.172 1.00 0.00 N ATOM 864 CA ALA A 52 60.771 -0.343 -2.112 1.00 0.00 C ATOM 865 C ALA A 52 59.390 0.290 -2.284 1.00 0.00 C ATOM 866 O ALA A 52 58.374 -0.325 -2.030 1.00 0.00 O ATOM 867 CB ALA A 52 61.416 0.112 -0.802 1.00 0.00 C ATOM 0 H ALA A 52 62.653 0.323 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 52 60.629 -1.423 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.803 -0.214 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.411 -0.324 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.494 1.199 -0.793 1.00 0.00 H new ATOM 873 N TYR A 53 59.350 1.515 -2.721 1.00 0.00 N ATOM 874 CA TYR A 53 58.041 2.196 -2.912 1.00 0.00 C ATOM 875 C TYR A 53 57.121 1.346 -3.786 1.00 0.00 C ATOM 876 O TYR A 53 55.947 1.205 -3.512 1.00 0.00 O ATOM 877 CB TYR A 53 58.384 3.515 -3.606 1.00 0.00 C ATOM 878 CG TYR A 53 59.326 4.321 -2.739 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.694 3.860 -1.466 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.836 5.534 -3.212 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.566 4.608 -0.674 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.709 6.283 -2.417 1.00 0.00 C ATOM 883 CZ TYR A 53 61.075 5.820 -1.149 1.00 0.00 C ATOM 884 OH TYR A 53 61.935 6.560 -0.364 1.00 0.00 O ATOM 0 H TYR A 53 60.169 2.076 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 53 57.515 2.355 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.845 3.318 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.474 4.084 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.301 2.924 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.556 5.892 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.847 4.251 0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.101 7.220 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 53 62.081 6.097 0.487 1.00 0.00 H new ATOM 894 N GLU A 54 57.643 0.756 -4.819 1.00 0.00 N ATOM 895 CA GLU A 54 56.778 -0.095 -5.684 1.00 0.00 C ATOM 896 C GLU A 54 56.186 -1.205 -4.837 1.00 0.00 C ATOM 897 O GLU A 54 55.243 -1.866 -5.222 1.00 0.00 O ATOM 898 CB GLU A 54 57.690 -0.683 -6.761 1.00 0.00 C ATOM 899 CG GLU A 54 58.655 0.388 -7.254 1.00 0.00 C ATOM 900 CD GLU A 54 58.550 0.521 -8.775 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.043 -0.396 -9.396 1.00 0.00 O ATOM 902 OE2 GLU A 54 58.979 1.541 -9.290 1.00 0.00 O ATOM 0 H GLU A 54 58.620 0.822 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 54 55.962 0.471 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.246 -1.530 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.093 -1.059 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.426 1.342 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.675 0.128 -6.972 1.00 0.00 H new ATOM 909 N VAL A 55 56.743 -1.422 -3.679 1.00 0.00 N ATOM 910 CA VAL A 55 56.216 -2.493 -2.819 1.00 0.00 C ATOM 911 C VAL A 55 55.307 -1.914 -1.724 1.00 0.00 C ATOM 912 O VAL A 55 54.160 -2.288 -1.588 1.00 0.00 O ATOM 913 CB VAL A 55 57.467 -3.191 -2.241 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.555 -3.034 -0.717 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.401 -4.679 -2.571 1.00 0.00 C ATOM 0 H VAL A 55 57.535 -0.903 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 55 55.591 -3.201 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 55 58.346 -2.725 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.449 -3.539 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.606 -1.975 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.673 -3.476 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.280 -5.181 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.502 -5.110 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.373 -4.811 -3.653 1.00 0.00 H new ATOM 925 N LEU A 56 55.822 -1.029 -0.924 1.00 0.00 N ATOM 926 CA LEU A 56 55.002 -0.463 0.186 1.00 0.00 C ATOM 927 C LEU A 56 54.102 0.695 -0.273 1.00 0.00 C ATOM 928 O LEU A 56 53.068 0.940 0.316 1.00 0.00 O ATOM 929 CB LEU A 56 56.026 0.030 1.188 1.00 0.00 C ATOM 930 CG LEU A 56 56.947 1.015 0.492 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.727 2.403 1.085 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.395 0.565 0.695 1.00 0.00 C ATOM 0 H LEU A 56 56.775 -0.670 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 56 54.319 -1.209 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.530 0.508 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.599 -0.807 1.587 1.00 0.00 H new ATOM 0 HG LEU A 56 56.734 1.051 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.385 3.118 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.689 2.702 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.949 2.382 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 59.067 1.266 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.622 0.538 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.530 -0.430 0.270 1.00 0.00 H new ATOM 944 N THR A 57 54.460 1.413 -1.308 1.00 0.00 N ATOM 945 CA THR A 57 53.571 2.534 -1.747 1.00 0.00 C ATOM 946 C THR A 57 52.539 2.005 -2.746 1.00 0.00 C ATOM 947 O THR A 57 52.054 2.719 -3.601 1.00 0.00 O ATOM 948 CB THR A 57 54.475 3.594 -2.397 1.00 0.00 C ATOM 949 OG1 THR A 57 54.842 3.178 -3.702 1.00 0.00 O ATOM 950 CG2 THR A 57 55.733 3.813 -1.547 1.00 0.00 C ATOM 0 H THR A 57 55.309 1.278 -1.857 1.00 0.00 H new ATOM 0 HA THR A 57 53.027 2.968 -0.909 1.00 0.00 H new ATOM 0 HB THR A 57 53.926 4.534 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.057 2.222 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.364 4.566 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.445 4.152 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.285 2.876 -1.465 1.00 0.00 H new ATOM 958 N ASP A 58 52.195 0.752 -2.622 1.00 0.00 N ATOM 959 CA ASP A 58 51.189 0.140 -3.527 1.00 0.00 C ATOM 960 C ASP A 58 50.457 -0.945 -2.773 1.00 0.00 C ATOM 961 O ASP A 58 51.042 -1.893 -2.290 1.00 0.00 O ATOM 962 CB ASP A 58 51.984 -0.436 -4.698 1.00 0.00 C ATOM 963 CG ASP A 58 51.536 0.233 -5.999 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.639 1.446 -6.084 1.00 0.00 O ATOM 965 OD2 ASP A 58 51.102 -0.479 -6.889 1.00 0.00 O ATOM 0 H ASP A 58 52.577 0.119 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 58 50.445 0.853 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.050 -0.274 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.831 -1.513 -4.760 1.00 0.00 H new ATOM 970 N SER A 59 49.180 -0.787 -2.641 1.00 0.00 N ATOM 971 CA SER A 59 48.391 -1.775 -1.883 1.00 0.00 C ATOM 972 C SER A 59 48.796 -3.207 -2.244 1.00 0.00 C ATOM 973 O SER A 59 48.594 -4.127 -1.479 1.00 0.00 O ATOM 974 CB SER A 59 46.937 -1.508 -2.266 1.00 0.00 C ATOM 975 OG SER A 59 46.686 -2.047 -3.557 1.00 0.00 O ATOM 0 H SER A 59 48.646 -0.009 -3.029 1.00 0.00 H new ATOM 0 HA SER A 59 48.554 -1.678 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.267 -1.959 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.738 -0.436 -2.262 1.00 0.00 H new ATOM 0 HG SER A 59 45.753 -1.879 -3.806 1.00 0.00 H new ATOM 981 N GLN A 60 49.357 -3.407 -3.401 1.00 0.00 N ATOM 982 CA GLN A 60 49.761 -4.785 -3.799 1.00 0.00 C ATOM 983 C GLN A 60 50.785 -5.365 -2.816 1.00 0.00 C ATOM 984 O GLN A 60 50.480 -6.246 -2.036 1.00 0.00 O ATOM 985 CB GLN A 60 50.381 -4.629 -5.187 1.00 0.00 C ATOM 986 CG GLN A 60 49.284 -4.331 -6.207 1.00 0.00 C ATOM 987 CD GLN A 60 49.649 -3.072 -6.995 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.038 -2.036 -6.826 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.631 -3.119 -7.854 1.00 0.00 N ATOM 0 H GLN A 60 49.554 -2.679 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 60 48.913 -5.470 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 60 51.114 -3.823 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 60 50.912 -5.540 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.164 -5.176 -6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 60 48.329 -4.192 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 60 51.144 -3.989 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.886 -2.285 -8.384 1.00 0.00 H new ATOM 998 N LYS A 61 52.003 -4.892 -2.858 1.00 0.00 N ATOM 999 CA LYS A 61 53.049 -5.437 -1.931 1.00 0.00 C ATOM 1000 C LYS A 61 52.913 -4.851 -0.532 1.00 0.00 C ATOM 1001 O LYS A 61 53.179 -5.516 0.446 1.00 0.00 O ATOM 1002 CB LYS A 61 54.423 -5.078 -2.521 1.00 0.00 C ATOM 1003 CG LYS A 61 54.349 -4.872 -4.038 1.00 0.00 C ATOM 1004 CD LYS A 61 53.573 -6.021 -4.686 1.00 0.00 C ATOM 1005 CE LYS A 61 54.495 -6.785 -5.638 1.00 0.00 C ATOM 1006 NZ LYS A 61 53.817 -6.720 -6.962 1.00 0.00 N ATOM 0 H LYS A 61 52.321 -4.156 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 61 52.931 -6.517 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 61 54.797 -4.170 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 61 55.135 -5.872 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 61 53.862 -3.923 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 61 55.355 -4.820 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.188 -6.692 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.712 -5.632 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 61 55.485 -6.331 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.630 -7.817 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.389 -7.223 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.880 -7.166 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 53.708 -5.726 -7.248 1.00 0.00 H new ATOM 1020 N ARG A 62 52.519 -3.619 -0.406 1.00 0.00 N ATOM 1021 CA ARG A 62 52.408 -3.047 0.959 1.00 0.00 C ATOM 1022 C ARG A 62 51.335 -3.792 1.744 1.00 0.00 C ATOM 1023 O ARG A 62 51.427 -3.963 2.943 1.00 0.00 O ATOM 1024 CB ARG A 62 52.046 -1.572 0.762 1.00 0.00 C ATOM 1025 CG ARG A 62 50.553 -1.436 0.461 1.00 0.00 C ATOM 1026 CD ARG A 62 50.238 0.013 0.087 1.00 0.00 C ATOM 1027 NE ARG A 62 49.910 0.677 1.379 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.665 0.896 1.700 1.00 0.00 C ATOM 1029 NH1 ARG A 62 48.081 2.003 1.333 1.00 0.00 N ATOM 1030 NH2 ARG A 62 48.004 0.008 2.392 1.00 0.00 N ATOM 0 H ARG A 62 52.273 -2.993 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 62 53.333 -3.142 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.298 -1.004 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.630 -1.152 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.274 -2.102 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.967 -1.734 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 62 51.089 0.490 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.402 0.069 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 62 50.658 0.960 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 62 48.598 2.698 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 62 47.107 2.174 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.461 -0.857 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 62 47.030 0.179 2.643 1.00 0.00 H new ATOM 1044 N ALA A 63 50.332 -4.261 1.067 1.00 0.00 N ATOM 1045 CA ALA A 63 49.263 -5.029 1.756 1.00 0.00 C ATOM 1046 C ALA A 63 49.650 -6.505 1.761 1.00 0.00 C ATOM 1047 O ALA A 63 49.173 -7.290 2.555 1.00 0.00 O ATOM 1048 CB ALA A 63 48.003 -4.799 0.920 1.00 0.00 C ATOM 0 H ALA A 63 50.204 -4.146 0.062 1.00 0.00 H new ATOM 0 HA ALA A 63 49.110 -4.721 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.167 -5.336 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.775 -3.733 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.168 -5.163 -0.094 1.00 0.00 H new ATOM 1054 N ALA A 64 50.516 -6.881 0.861 1.00 0.00 N ATOM 1055 CA ALA A 64 50.955 -8.302 0.784 1.00 0.00 C ATOM 1056 C ALA A 64 52.187 -8.535 1.660 1.00 0.00 C ATOM 1057 O ALA A 64 52.266 -9.499 2.395 1.00 0.00 O ATOM 1058 CB ALA A 64 51.290 -8.529 -0.690 1.00 0.00 C ATOM 0 H ALA A 64 50.941 -6.261 0.172 1.00 0.00 H new ATOM 0 HA ALA A 64 50.188 -8.989 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.623 -9.557 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.403 -8.347 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.083 -7.845 -0.992 1.00 0.00 H new ATOM 1064 N TYR A 65 53.162 -7.669 1.571 1.00 0.00 N ATOM 1065 CA TYR A 65 54.400 -7.853 2.379 1.00 0.00 C ATOM 1066 C TYR A 65 54.118 -7.678 3.874 1.00 0.00 C ATOM 1067 O TYR A 65 54.777 -8.271 4.705 1.00 0.00 O ATOM 1068 CB TYR A 65 55.359 -6.777 1.869 1.00 0.00 C ATOM 1069 CG TYR A 65 56.026 -7.256 0.593 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.475 -8.323 -0.134 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.194 -6.632 0.137 1.00 0.00 C ATOM 1072 CE1 TYR A 65 56.093 -8.763 -1.311 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.809 -7.073 -1.041 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.260 -8.137 -1.764 1.00 0.00 C ATOM 1075 OH TYR A 65 57.868 -8.571 -2.925 1.00 0.00 O ATOM 0 H TYR A 65 53.153 -6.843 0.973 1.00 0.00 H new ATOM 0 HA TYR A 65 54.813 -8.856 2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.816 -5.850 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.112 -6.558 2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.574 -8.805 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.620 -5.811 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 65 55.669 -9.585 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.709 -6.591 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 65 58.666 -8.029 -3.099 1.00 0.00 H new