USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 452 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 65 THR OG1 : rot 180:sc= 0.103 USER MOD Set 1.2: A 68 MET CE :methyl 175:sc= -0.608 (180deg=-0.644) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.788) USER MOD Single : A 47 TYR OH : rot -86:sc= 0.452 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.0972 (180deg=-0.61) USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 55 HIS : no HD1:sc= -6.02 K(o=-6,f=-4.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.0739 (180deg=-0.336) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 80:sc= -3.37! USER MOD Single : A 76 TYR OH : rot -86:sc= -1.9 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -139:sc= -0.817 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -0.294 (180deg=-1.27!) USER MOD Single : A 85 GLN : amide:sc= -0.983 K(o=-0.98,f=-0.015) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-6.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 44 -11.292 8.546 6.405 1.00 0.00 N ATOM 2 CA LYS A 44 -9.978 8.824 7.042 1.00 0.00 C ATOM 3 C LYS A 44 -8.869 7.995 6.400 1.00 0.00 C ATOM 4 O LYS A 44 -8.789 6.784 6.604 1.00 0.00 O ATOM 5 CB LYS A 44 -10.082 8.502 8.535 1.00 0.00 C ATOM 6 CG LYS A 44 -9.381 9.515 9.427 1.00 0.00 C ATOM 7 CD LYS A 44 -8.109 8.944 10.035 1.00 0.00 C ATOM 8 CE LYS A 44 -8.416 7.991 11.179 1.00 0.00 C ATOM 9 NZ LYS A 44 -7.416 8.101 12.278 1.00 0.00 N ATOM 0 HA LYS A 44 -9.726 9.875 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.134 8.451 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.656 7.515 8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.139 10.405 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.056 9.828 10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.541 8.420 9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.481 9.758 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.411 8.203 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.432 6.968 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.298 7.174 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.504 8.413 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.747 8.793 12.980 1.00 0.00 H new ATOM 23 N VAL A 45 -8.014 8.657 5.627 1.00 0.00 N ATOM 24 CA VAL A 45 -6.908 7.982 4.957 1.00 0.00 C ATOM 25 C VAL A 45 -5.801 7.626 5.949 1.00 0.00 C ATOM 26 O VAL A 45 -4.665 8.085 5.822 1.00 0.00 O ATOM 27 CB VAL A 45 -6.322 8.858 3.830 1.00 0.00 C ATOM 28 CG1 VAL A 45 -5.762 10.155 4.392 1.00 0.00 C ATOM 29 CG2 VAL A 45 -5.253 8.097 3.058 1.00 0.00 C ATOM 0 H VAL A 45 -8.066 9.660 5.449 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.306 7.065 4.522 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.127 9.108 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.354 10.757 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.557 10.709 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.972 9.930 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.853 8.733 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.449 7.811 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.691 7.202 2.617 1.00 0.00 H new ATOM 39 N GLU A 46 -6.143 6.808 6.941 1.00 0.00 N ATOM 40 CA GLU A 46 -5.182 6.394 7.957 1.00 0.00 C ATOM 41 C GLU A 46 -4.243 5.318 7.423 1.00 0.00 C ATOM 42 O GLU A 46 -3.045 5.332 7.705 1.00 0.00 O ATOM 43 CB GLU A 46 -5.912 5.879 9.199 1.00 0.00 C ATOM 44 CG GLU A 46 -4.985 5.570 10.364 1.00 0.00 C ATOM 45 CD GLU A 46 -4.495 6.820 11.068 1.00 0.00 C ATOM 46 OE1 GLU A 46 -4.068 7.765 10.371 1.00 0.00 O ATOM 47 OE2 GLU A 46 -4.538 6.854 12.316 1.00 0.00 O ATOM 0 H GLU A 46 -7.078 6.419 7.062 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.585 7.265 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.644 6.623 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.466 4.978 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.507 4.935 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.128 5.003 10.001 1.00 0.00 H new ATOM 54 N TYR A 47 -4.799 4.377 6.667 1.00 0.00 N ATOM 55 CA TYR A 47 -4.023 3.283 6.108 1.00 0.00 C ATOM 56 C TYR A 47 -3.497 2.391 7.218 1.00 0.00 C ATOM 57 O TYR A 47 -2.770 2.837 8.105 1.00 0.00 O ATOM 58 CB TYR A 47 -2.865 3.801 5.250 1.00 0.00 C ATOM 59 CG TYR A 47 -3.290 4.334 3.896 1.00 0.00 C ATOM 60 CD1 TYR A 47 -4.608 4.704 3.644 1.00 0.00 C ATOM 61 CD2 TYR A 47 -2.367 4.465 2.865 1.00 0.00 C ATOM 62 CE1 TYR A 47 -4.990 5.187 2.407 1.00 0.00 C ATOM 63 CE2 TYR A 47 -2.743 4.949 1.626 1.00 0.00 C ATOM 64 CZ TYR A 47 -4.054 5.308 1.402 1.00 0.00 C ATOM 65 OH TYR A 47 -4.432 5.789 0.169 1.00 0.00 O ATOM 0 H TYR A 47 -5.790 4.353 6.428 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.682 2.700 5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.349 4.592 5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.147 2.994 5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.344 4.612 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.338 4.184 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.017 5.468 2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.012 5.045 0.837 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.773 5.052 -0.379 1.00 0.00 H new ATOM 75 N SER A 48 -3.883 1.129 7.161 1.00 0.00 N ATOM 76 CA SER A 48 -3.469 0.153 8.162 1.00 0.00 C ATOM 77 C SER A 48 -3.698 -1.272 7.671 1.00 0.00 C ATOM 78 O SER A 48 -2.932 -2.177 8.000 1.00 0.00 O ATOM 79 CB SER A 48 -4.230 0.380 9.470 1.00 0.00 C ATOM 80 OG SER A 48 -5.631 0.332 9.260 1.00 0.00 O ATOM 0 H SER A 48 -4.485 0.751 6.430 1.00 0.00 H new ATOM 0 HA SER A 48 -2.402 0.287 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.942 -0.378 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.955 1.347 9.891 1.00 0.00 H new ATOM 0 HG SER A 48 -6.095 0.478 10.111 1.00 0.00 H new ATOM 86 N GLU A 49 -4.747 -1.469 6.875 1.00 0.00 N ATOM 87 CA GLU A 49 -5.061 -2.788 6.336 1.00 0.00 C ATOM 88 C GLU A 49 -6.439 -2.806 5.685 1.00 0.00 C ATOM 89 O GLU A 49 -6.570 -3.148 4.512 1.00 0.00 O ATOM 90 CB GLU A 49 -4.993 -3.853 7.437 1.00 0.00 C ATOM 91 CG GLU A 49 -3.777 -4.760 7.332 1.00 0.00 C ATOM 92 CD GLU A 49 -3.097 -4.983 8.669 1.00 0.00 C ATOM 93 OE1 GLU A 49 -3.208 -4.101 9.547 1.00 0.00 O ATOM 94 OE2 GLU A 49 -2.454 -6.040 8.839 1.00 0.00 O ATOM 0 H GLU A 49 -5.392 -0.732 6.590 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.317 -3.016 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.985 -3.359 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.895 -4.463 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.081 -5.722 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.063 -4.324 6.634 1.00 0.00 H new ATOM 101 N GLU A 50 -7.467 -2.441 6.444 1.00 0.00 N ATOM 102 CA GLU A 50 -8.830 -2.424 5.918 1.00 0.00 C ATOM 103 C GLU A 50 -8.905 -1.609 4.636 1.00 0.00 C ATOM 104 O GLU A 50 -9.366 -2.100 3.605 1.00 0.00 O ATOM 105 CB GLU A 50 -9.803 -1.866 6.958 1.00 0.00 C ATOM 106 CG GLU A 50 -9.327 -0.578 7.612 1.00 0.00 C ATOM 107 CD GLU A 50 -10.029 0.649 7.064 1.00 0.00 C ATOM 108 OE1 GLU A 50 -10.503 0.595 5.910 1.00 0.00 O ATOM 109 OE2 GLU A 50 -10.105 1.662 7.789 1.00 0.00 O ATOM 0 H GLU A 50 -7.385 -2.154 7.419 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.116 -3.451 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.767 -1.686 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.965 -2.617 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.494 -0.638 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.252 -0.474 7.462 1.00 0.00 H new ATOM 116 N GLU A 51 -8.435 -0.369 4.693 1.00 0.00 N ATOM 117 CA GLU A 51 -8.440 0.486 3.517 1.00 0.00 C ATOM 118 C GLU A 51 -7.586 -0.148 2.430 1.00 0.00 C ATOM 119 O GLU A 51 -7.952 -0.151 1.255 1.00 0.00 O ATOM 120 CB GLU A 51 -7.913 1.881 3.862 1.00 0.00 C ATOM 121 CG GLU A 51 -8.714 3.007 3.229 1.00 0.00 C ATOM 122 CD GLU A 51 -10.042 3.239 3.924 1.00 0.00 C ATOM 123 OE1 GLU A 51 -10.957 2.408 3.746 1.00 0.00 O ATOM 124 OE2 GLU A 51 -10.166 4.251 4.645 1.00 0.00 O ATOM 0 H GLU A 51 -8.049 0.062 5.533 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.464 0.591 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.920 2.005 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.875 1.958 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.128 3.926 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.893 2.775 2.179 1.00 0.00 H new ATOM 131 N LEU A 52 -6.453 -0.707 2.843 1.00 0.00 N ATOM 132 CA LEU A 52 -5.549 -1.372 1.918 1.00 0.00 C ATOM 133 C LEU A 52 -6.262 -2.525 1.224 1.00 0.00 C ATOM 134 O LEU A 52 -6.273 -2.612 -0.002 1.00 0.00 O ATOM 135 CB LEU A 52 -4.316 -1.886 2.654 1.00 0.00 C ATOM 136 CG LEU A 52 -3.576 -0.826 3.463 1.00 0.00 C ATOM 137 CD1 LEU A 52 -2.505 -1.467 4.331 1.00 0.00 C ATOM 138 CD2 LEU A 52 -2.969 0.222 2.541 1.00 0.00 C ATOM 0 H LEU A 52 -6.141 -0.711 3.814 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.230 -0.650 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.617 -2.691 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.627 -2.317 1.927 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.292 -0.330 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.988 -0.695 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.969 -2.175 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.789 -1.991 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.445 0.970 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.266 -0.257 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.760 0.704 1.967 1.00 0.00 H new ATOM 150 N LYS A 53 -6.872 -3.404 2.021 1.00 0.00 N ATOM 151 CA LYS A 53 -7.605 -4.543 1.483 1.00 0.00 C ATOM 152 C LYS A 53 -8.619 -4.070 0.453 1.00 0.00 C ATOM 153 O LYS A 53 -8.698 -4.605 -0.653 1.00 0.00 O ATOM 154 CB LYS A 53 -8.309 -5.311 2.605 1.00 0.00 C ATOM 155 CG LYS A 53 -7.838 -6.750 2.747 1.00 0.00 C ATOM 156 CD LYS A 53 -7.905 -7.494 1.425 1.00 0.00 C ATOM 157 CE LYS A 53 -7.912 -9.000 1.634 1.00 0.00 C ATOM 158 NZ LYS A 53 -9.131 -9.455 2.357 1.00 0.00 N ATOM 0 H LYS A 53 -6.871 -3.346 3.039 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.896 -5.215 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.146 -4.790 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.383 -5.306 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.814 -6.763 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.453 -7.264 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.803 -7.196 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.052 -7.215 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.855 -9.501 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.026 -9.292 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.323 -10.450 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.981 -9.364 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.942 -8.869 2.073 1.00 0.00 H new ATOM 172 N THR A 54 -9.380 -3.043 0.820 1.00 0.00 N ATOM 173 CA THR A 54 -10.374 -2.475 -0.082 1.00 0.00 C ATOM 174 C THR A 54 -9.691 -2.031 -1.366 1.00 0.00 C ATOM 175 O THR A 54 -10.156 -2.317 -2.469 1.00 0.00 O ATOM 176 CB THR A 54 -11.087 -1.294 0.577 1.00 0.00 C ATOM 177 OG1 THR A 54 -11.335 -1.557 1.946 1.00 0.00 O ATOM 178 CG2 THR A 54 -12.412 -0.956 -0.072 1.00 0.00 C ATOM 0 H THR A 54 -9.327 -2.589 1.732 1.00 0.00 H new ATOM 0 HA THR A 54 -11.122 -3.234 -0.313 1.00 0.00 H new ATOM 0 HB THR A 54 -10.413 -0.446 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.529 -1.362 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.865 -0.109 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.249 -0.698 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.078 -1.817 -0.010 1.00 0.00 H new ATOM 186 N HIS A 55 -8.564 -1.349 -1.201 1.00 0.00 N ATOM 187 CA HIS A 55 -7.776 -0.878 -2.328 1.00 0.00 C ATOM 188 C HIS A 55 -7.309 -2.063 -3.163 1.00 0.00 C ATOM 189 O HIS A 55 -7.526 -2.112 -4.374 1.00 0.00 O ATOM 190 CB HIS A 55 -6.570 -0.082 -1.824 1.00 0.00 C ATOM 191 CG HIS A 55 -6.943 1.084 -0.961 1.00 0.00 C ATOM 192 ND1 HIS A 55 -8.122 1.786 -1.111 1.00 0.00 N ATOM 193 CD2 HIS A 55 -6.287 1.672 0.068 1.00 0.00 C ATOM 194 CE1 HIS A 55 -8.173 2.753 -0.212 1.00 0.00 C ATOM 195 NE2 HIS A 55 -7.073 2.705 0.515 1.00 0.00 N ATOM 0 H HIS A 55 -8.175 -1.110 -0.289 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.393 -0.228 -2.949 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.916 -0.747 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.998 0.277 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.325 1.382 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.979 3.462 -0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.844 3.334 1.285 1.00 0.00 H new ATOM 204 N ILE A 56 -6.675 -3.023 -2.496 1.00 0.00 N ATOM 205 CA ILE A 56 -6.180 -4.224 -3.159 1.00 0.00 C ATOM 206 C ILE A 56 -7.312 -4.968 -3.863 1.00 0.00 C ATOM 207 O ILE A 56 -7.132 -5.506 -4.955 1.00 0.00 O ATOM 208 CB ILE A 56 -5.478 -5.172 -2.163 1.00 0.00 C ATOM 209 CG1 ILE A 56 -4.344 -4.439 -1.444 1.00 0.00 C ATOM 210 CG2 ILE A 56 -4.944 -6.403 -2.882 1.00 0.00 C ATOM 211 CD1 ILE A 56 -4.010 -5.024 -0.089 1.00 0.00 C ATOM 0 H ILE A 56 -6.492 -2.992 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.451 -3.901 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.208 -5.498 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.452 -4.462 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.620 -3.392 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.453 -7.059 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.770 -6.935 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.227 -6.097 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.198 -4.455 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.888 -4.976 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.703 -6.063 -0.207 1.00 0.00 H new ATOM 223 N SER A 57 -8.480 -4.996 -3.225 1.00 0.00 N ATOM 224 CA SER A 57 -9.647 -5.676 -3.782 1.00 0.00 C ATOM 225 C SER A 57 -9.932 -5.215 -5.210 1.00 0.00 C ATOM 226 O SER A 57 -9.661 -5.936 -6.171 1.00 0.00 O ATOM 227 CB SER A 57 -10.874 -5.431 -2.902 1.00 0.00 C ATOM 228 OG SER A 57 -12.040 -5.986 -3.485 1.00 0.00 O ATOM 0 H SER A 57 -8.644 -4.555 -2.320 1.00 0.00 H new ATOM 0 HA SER A 57 -9.428 -6.744 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.712 -5.869 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.012 -4.360 -2.755 1.00 0.00 H new ATOM 0 HG SER A 57 -12.809 -5.817 -2.902 1.00 0.00 H new ATOM 234 N LYS A 58 -10.484 -4.013 -5.340 1.00 0.00 N ATOM 235 CA LYS A 58 -10.812 -3.459 -6.650 1.00 0.00 C ATOM 236 C LYS A 58 -9.558 -3.299 -7.504 1.00 0.00 C ATOM 237 O LYS A 58 -9.363 -4.025 -8.479 1.00 0.00 O ATOM 238 CB LYS A 58 -11.515 -2.109 -6.495 1.00 0.00 C ATOM 239 CG LYS A 58 -12.735 -2.158 -5.588 1.00 0.00 C ATOM 240 CD LYS A 58 -13.310 -0.771 -5.353 1.00 0.00 C ATOM 241 CE LYS A 58 -14.342 -0.778 -4.237 1.00 0.00 C ATOM 242 NZ LYS A 58 -14.531 0.577 -3.647 1.00 0.00 N ATOM 0 H LYS A 58 -10.714 -3.404 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.484 -4.155 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.806 -1.383 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.818 -1.752 -7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.496 -2.798 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.462 -2.606 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.505 -0.080 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.769 -0.405 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.294 -1.141 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.029 -1.473 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.242 0.530 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.629 0.913 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.854 1.235 -4.385 1.00 0.00 H new ATOM 256 N GLY A 59 -8.712 -2.345 -7.132 1.00 0.00 N ATOM 257 CA GLY A 59 -7.488 -2.109 -7.877 1.00 0.00 C ATOM 258 C GLY A 59 -7.031 -0.664 -7.813 1.00 0.00 C ATOM 259 O GLY A 59 -6.481 -0.138 -8.781 1.00 0.00 O ATOM 0 H GLY A 59 -8.851 -1.731 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.700 -2.752 -7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.642 -2.391 -8.919 1.00 0.00 H new ATOM 263 N THR A 60 -7.254 -0.020 -6.671 1.00 0.00 N ATOM 264 CA THR A 60 -6.856 1.371 -6.486 1.00 0.00 C ATOM 265 C THR A 60 -5.573 1.469 -5.663 1.00 0.00 C ATOM 266 O THR A 60 -4.928 2.516 -5.626 1.00 0.00 O ATOM 267 CB THR A 60 -7.975 2.158 -5.803 1.00 0.00 C ATOM 268 OG1 THR A 60 -8.433 1.478 -4.648 1.00 0.00 O ATOM 269 CG2 THR A 60 -9.171 2.398 -6.699 1.00 0.00 C ATOM 0 H THR A 60 -7.708 -0.440 -5.860 1.00 0.00 H new ATOM 0 HA THR A 60 -6.667 1.800 -7.470 1.00 0.00 H new ATOM 0 HB THR A 60 -7.535 3.122 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.147 1.998 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.928 2.961 -6.153 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.860 2.965 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.588 1.441 -7.014 1.00 0.00 H new ATOM 277 N LEU A 61 -5.209 0.372 -5.002 1.00 0.00 N ATOM 278 CA LEU A 61 -4.006 0.338 -4.181 1.00 0.00 C ATOM 279 C LEU A 61 -2.768 0.669 -5.014 1.00 0.00 C ATOM 280 O LEU A 61 -1.772 1.167 -4.490 1.00 0.00 O ATOM 281 CB LEU A 61 -3.848 -1.040 -3.533 1.00 0.00 C ATOM 282 CG LEU A 61 -2.833 -1.109 -2.390 1.00 0.00 C ATOM 283 CD1 LEU A 61 -1.412 -1.051 -2.931 1.00 0.00 C ATOM 284 CD2 LEU A 61 -3.074 0.014 -1.392 1.00 0.00 C ATOM 0 H LEU A 61 -5.732 -0.504 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.106 1.091 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.819 -1.360 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.554 -1.754 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.963 -2.060 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.705 -1.101 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.244 -1.892 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.268 -0.118 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.342 -0.052 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.974 0.976 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.078 -0.076 -0.978 1.00 0.00 H new ATOM 296 N GLY A 62 -2.840 0.391 -6.313 1.00 0.00 N ATOM 297 CA GLY A 62 -1.719 0.666 -7.195 1.00 0.00 C ATOM 298 C GLY A 62 -1.806 2.028 -7.859 1.00 0.00 C ATOM 299 O GLY A 62 -0.949 2.384 -8.668 1.00 0.00 O ATOM 0 H GLY A 62 -3.654 -0.020 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.792 0.605 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.672 -0.105 -7.964 1.00 0.00 H new ATOM 303 N LYS A 63 -2.837 2.796 -7.519 1.00 0.00 N ATOM 304 CA LYS A 63 -3.018 4.124 -8.092 1.00 0.00 C ATOM 305 C LYS A 63 -2.354 5.181 -7.216 1.00 0.00 C ATOM 306 O LYS A 63 -1.763 6.138 -7.717 1.00 0.00 O ATOM 307 CB LYS A 63 -4.508 4.434 -8.256 1.00 0.00 C ATOM 308 CG LYS A 63 -4.978 4.405 -9.702 1.00 0.00 C ATOM 309 CD LYS A 63 -6.420 4.871 -9.831 1.00 0.00 C ATOM 310 CE LYS A 63 -7.358 3.709 -10.118 1.00 0.00 C ATOM 311 NZ LYS A 63 -7.083 3.088 -11.443 1.00 0.00 N ATOM 0 H LYS A 63 -3.558 2.522 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.546 4.142 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.087 3.712 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.715 5.418 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.333 5.042 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.886 3.393 -10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.726 5.368 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.495 5.607 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.254 2.957 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.390 4.059 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.948 2.636 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.773 3.821 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.335 2.373 -11.343 1.00 0.00 H new ATOM 325 N PHE A 64 -2.459 4.999 -5.903 1.00 0.00 N ATOM 326 CA PHE A 64 -1.873 5.932 -4.943 1.00 0.00 C ATOM 327 C PHE A 64 -0.433 6.282 -5.310 1.00 0.00 C ATOM 328 O PHE A 64 0.269 5.496 -5.946 1.00 0.00 O ATOM 329 CB PHE A 64 -1.920 5.338 -3.535 1.00 0.00 C ATOM 330 CG PHE A 64 -3.294 4.902 -3.116 1.00 0.00 C ATOM 331 CD1 PHE A 64 -4.358 5.789 -3.155 1.00 0.00 C ATOM 332 CD2 PHE A 64 -3.522 3.606 -2.684 1.00 0.00 C ATOM 333 CE1 PHE A 64 -5.624 5.391 -2.770 1.00 0.00 C ATOM 334 CE2 PHE A 64 -4.786 3.202 -2.298 1.00 0.00 C ATOM 335 CZ PHE A 64 -5.838 4.096 -2.342 1.00 0.00 C ATOM 0 H PHE A 64 -2.946 4.211 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.461 6.849 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.245 4.483 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.549 6.077 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.196 6.803 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.703 2.903 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.445 6.092 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.951 2.189 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.827 3.782 -2.042 1.00 0.00 H new ATOM 345 N THR A 65 -0.003 7.470 -4.900 1.00 0.00 N ATOM 346 CA THR A 65 1.351 7.940 -5.175 1.00 0.00 C ATOM 347 C THR A 65 2.370 7.214 -4.302 1.00 0.00 C ATOM 348 O THR A 65 2.037 6.256 -3.603 1.00 0.00 O ATOM 349 CB THR A 65 1.439 9.449 -4.933 1.00 0.00 C ATOM 350 OG1 THR A 65 0.384 9.885 -4.094 1.00 0.00 O ATOM 351 CG2 THR A 65 1.375 10.263 -6.206 1.00 0.00 C ATOM 0 H THR A 65 -0.576 8.129 -4.373 1.00 0.00 H new ATOM 0 HA THR A 65 1.581 7.727 -6.219 1.00 0.00 H new ATOM 0 HB THR A 65 2.410 9.610 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.459 10.851 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.443 11.324 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.204 9.986 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.432 10.067 -6.716 1.00 0.00 H new ATOM 359 N VAL A 66 3.612 7.684 -4.344 1.00 0.00 N ATOM 360 CA VAL A 66 4.684 7.092 -3.556 1.00 0.00 C ATOM 361 C VAL A 66 4.565 7.502 -2.087 1.00 0.00 C ATOM 362 O VAL A 66 4.444 6.645 -1.212 1.00 0.00 O ATOM 363 CB VAL A 66 6.068 7.502 -4.103 1.00 0.00 C ATOM 364 CG1 VAL A 66 7.184 7.056 -3.168 1.00 0.00 C ATOM 365 CG2 VAL A 66 6.276 6.928 -5.495 1.00 0.00 C ATOM 0 H VAL A 66 3.901 8.476 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 66 4.589 6.009 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 66 6.099 8.590 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.147 7.359 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.046 7.518 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.159 5.971 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.256 7.225 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.218 5.840 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.503 7.306 -6.164 1.00 0.00 H new ATOM 375 N PRO A 67 4.583 8.818 -1.785 1.00 0.00 N ATOM 376 CA PRO A 67 4.460 9.301 -0.408 1.00 0.00 C ATOM 377 C PRO A 67 3.239 8.709 0.284 1.00 0.00 C ATOM 378 O PRO A 67 3.224 8.536 1.503 1.00 0.00 O ATOM 379 CB PRO A 67 4.318 10.824 -0.553 1.00 0.00 C ATOM 380 CG PRO A 67 4.063 11.067 -2.004 1.00 0.00 C ATOM 381 CD PRO A 67 4.709 9.929 -2.738 1.00 0.00 C ATOM 0 HA PRO A 67 5.315 9.013 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.498 11.201 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.222 11.335 -0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.993 11.106 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.484 12.022 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.203 9.715 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.751 10.141 -2.978 1.00 0.00 H new ATOM 389 N MET A 68 2.221 8.385 -0.509 1.00 0.00 N ATOM 390 CA MET A 68 0.999 7.793 0.019 1.00 0.00 C ATOM 391 C MET A 68 1.210 6.305 0.270 1.00 0.00 C ATOM 392 O MET A 68 0.851 5.782 1.325 1.00 0.00 O ATOM 393 CB MET A 68 -0.161 8.002 -0.956 1.00 0.00 C ATOM 394 CG MET A 68 -0.875 9.332 -0.776 1.00 0.00 C ATOM 395 SD MET A 68 -2.671 9.165 -0.770 1.00 0.00 S ATOM 396 CE MET A 68 -2.990 8.870 -2.507 1.00 0.00 C ATOM 0 H MET A 68 2.220 8.523 -1.520 1.00 0.00 H new ATOM 0 HA MET A 68 0.752 8.282 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.217 7.937 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.881 7.193 -0.830 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.554 9.788 0.161 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.580 10.009 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.049 8.658 -2.651 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.715 9.754 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.400 8.018 -2.846 1.00 0.00 H new ATOM 406 N LEU A 69 1.812 5.635 -0.708 1.00 0.00 N ATOM 407 CA LEU A 69 2.097 4.210 -0.603 1.00 0.00 C ATOM 408 C LEU A 69 3.041 3.943 0.563 1.00 0.00 C ATOM 409 O LEU A 69 2.834 3.013 1.343 1.00 0.00 O ATOM 410 CB LEU A 69 2.713 3.705 -1.907 1.00 0.00 C ATOM 411 CG LEU A 69 1.712 3.410 -3.024 1.00 0.00 C ATOM 412 CD1 LEU A 69 2.431 3.228 -4.351 1.00 0.00 C ATOM 413 CD2 LEU A 69 0.889 2.175 -2.688 1.00 0.00 C ATOM 0 H LEU A 69 2.113 6.059 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 69 1.164 3.677 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.426 4.447 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.277 2.797 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 69 1.036 4.260 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.702 3.019 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.977 4.139 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.130 2.396 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.181 1.979 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.551 1.317 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.344 2.343 -1.759 1.00 0.00 H new ATOM 425 N LYS A 70 4.073 4.774 0.681 1.00 0.00 N ATOM 426 CA LYS A 70 5.049 4.641 1.758 1.00 0.00 C ATOM 427 C LYS A 70 4.351 4.568 3.114 1.00 0.00 C ATOM 428 O LYS A 70 4.786 3.843 4.010 1.00 0.00 O ATOM 429 CB LYS A 70 6.030 5.815 1.733 1.00 0.00 C ATOM 430 CG LYS A 70 7.489 5.389 1.728 1.00 0.00 C ATOM 431 CD LYS A 70 8.048 5.334 0.316 1.00 0.00 C ATOM 432 CE LYS A 70 8.767 6.623 -0.049 1.00 0.00 C ATOM 433 NZ LYS A 70 10.199 6.594 0.355 1.00 0.00 N ATOM 0 H LYS A 70 4.255 5.548 0.042 1.00 0.00 H new ATOM 0 HA LYS A 70 5.603 3.715 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.834 6.422 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.848 6.448 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.075 6.087 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.585 4.410 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.738 4.494 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.238 5.156 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.697 6.786 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.271 7.465 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.653 7.491 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.267 6.464 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.679 5.807 -0.125 1.00 0.00 H new ATOM 447 N GLU A 71 3.263 5.322 3.255 1.00 0.00 N ATOM 448 CA GLU A 71 2.499 5.342 4.497 1.00 0.00 C ATOM 449 C GLU A 71 2.067 3.932 4.885 1.00 0.00 C ATOM 450 O GLU A 71 2.322 3.477 6.000 1.00 0.00 O ATOM 451 CB GLU A 71 1.271 6.243 4.353 1.00 0.00 C ATOM 452 CG GLU A 71 0.859 6.923 5.648 1.00 0.00 C ATOM 453 CD GLU A 71 -0.222 7.966 5.440 1.00 0.00 C ATOM 454 OE1 GLU A 71 0.058 8.987 4.777 1.00 0.00 O ATOM 455 OE2 GLU A 71 -1.348 7.762 5.939 1.00 0.00 O ATOM 0 H GLU A 71 2.892 5.927 2.523 1.00 0.00 H new ATOM 0 HA GLU A 71 3.139 5.740 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.477 7.005 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.436 5.648 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.503 6.171 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.732 7.394 6.100 1.00 0.00 H new ATOM 462 N ALA A 72 1.419 3.241 3.952 1.00 0.00 N ATOM 463 CA ALA A 72 0.963 1.878 4.190 1.00 0.00 C ATOM 464 C ALA A 72 2.134 0.979 4.558 1.00 0.00 C ATOM 465 O ALA A 72 2.056 0.193 5.503 1.00 0.00 O ATOM 466 CB ALA A 72 0.248 1.341 2.963 1.00 0.00 C ATOM 0 H ALA A 72 1.198 3.604 3.025 1.00 0.00 H new ATOM 0 HA ALA A 72 0.263 1.888 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.088 0.322 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.613 1.971 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.931 1.345 2.113 1.00 0.00 H new ATOM 472 N CYS A 73 3.228 1.110 3.813 1.00 0.00 N ATOM 473 CA CYS A 73 4.421 0.318 4.072 1.00 0.00 C ATOM 474 C CYS A 73 4.916 0.573 5.490 1.00 0.00 C ATOM 475 O CYS A 73 5.319 -0.350 6.196 1.00 0.00 O ATOM 476 CB CYS A 73 5.520 0.659 3.064 1.00 0.00 C ATOM 477 SG CYS A 73 5.490 -0.357 1.569 1.00 0.00 S ATOM 0 H CYS A 73 3.311 1.756 3.028 1.00 0.00 H new ATOM 0 HA CYS A 73 4.169 -0.737 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.426 1.707 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.490 0.546 3.548 1.00 0.00 H new ATOM 0 HG CYS A 73 4.579 0.092 0.757 1.00 0.00 H new ATOM 483 N ARG A 74 4.865 1.836 5.903 1.00 0.00 N ATOM 484 CA ARG A 74 5.288 2.223 7.242 1.00 0.00 C ATOM 485 C ARG A 74 4.405 1.552 8.287 1.00 0.00 C ATOM 486 O ARG A 74 4.875 1.157 9.354 1.00 0.00 O ATOM 487 CB ARG A 74 5.222 3.743 7.402 1.00 0.00 C ATOM 488 CG ARG A 74 6.112 4.279 8.512 1.00 0.00 C ATOM 489 CD ARG A 74 7.558 4.412 8.059 1.00 0.00 C ATOM 490 NE ARG A 74 8.040 5.788 8.163 1.00 0.00 N ATOM 491 CZ ARG A 74 7.875 6.710 7.216 1.00 0.00 C ATOM 492 NH1 ARG A 74 7.244 6.410 6.087 1.00 0.00 N ATOM 493 NH2 ARG A 74 8.345 7.936 7.397 1.00 0.00 N ATOM 0 H ARG A 74 4.534 2.610 5.327 1.00 0.00 H new ATOM 0 HA ARG A 74 6.318 1.899 7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.508 4.212 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.191 4.034 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.742 5.251 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.060 3.613 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.189 3.760 8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.647 4.074 7.027 1.00 0.00 H new ATOM 0 HE ARG A 74 8.533 6.059 9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.882 5.468 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.122 7.122 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.833 8.173 8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.219 8.643 6.672 1.00 0.00 H new ATOM 507 N ALA A 75 3.121 1.424 7.966 1.00 0.00 N ATOM 508 CA ALA A 75 2.165 0.796 8.867 1.00 0.00 C ATOM 509 C ALA A 75 2.384 -0.711 8.917 1.00 0.00 C ATOM 510 O ALA A 75 2.170 -1.348 9.948 1.00 0.00 O ATOM 511 CB ALA A 75 0.741 1.112 8.434 1.00 0.00 C ATOM 0 H ALA A 75 2.720 1.748 7.086 1.00 0.00 H new ATOM 0 HA ALA A 75 2.321 1.199 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.039 0.635 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.587 2.191 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.576 0.736 7.424 1.00 0.00 H new ATOM 517 N TYR A 76 2.818 -1.272 7.793 1.00 0.00 N ATOM 518 CA TYR A 76 3.075 -2.706 7.705 1.00 0.00 C ATOM 519 C TYR A 76 4.460 -3.042 8.250 1.00 0.00 C ATOM 520 O TYR A 76 4.666 -4.104 8.839 1.00 0.00 O ATOM 521 CB TYR A 76 2.969 -3.180 6.253 1.00 0.00 C ATOM 522 CG TYR A 76 1.582 -3.628 5.845 1.00 0.00 C ATOM 523 CD1 TYR A 76 0.773 -4.349 6.716 1.00 0.00 C ATOM 524 CD2 TYR A 76 1.087 -3.335 4.581 1.00 0.00 C ATOM 525 CE1 TYR A 76 -0.490 -4.764 6.336 1.00 0.00 C ATOM 526 CE2 TYR A 76 -0.174 -3.745 4.196 1.00 0.00 C ATOM 527 CZ TYR A 76 -0.958 -4.459 5.076 1.00 0.00 C ATOM 528 OH TYR A 76 -2.214 -4.871 4.693 1.00 0.00 O ATOM 0 H TYR A 76 2.999 -0.757 6.931 1.00 0.00 H new ATOM 0 HA TYR A 76 2.325 -3.219 8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.285 -2.371 5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.664 -4.005 6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.137 -4.589 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.699 -2.777 3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.107 -5.324 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.544 -3.507 3.210 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.166 -5.785 4.343 1.00 0.00 H new ATOM 538 N GLY A 77 5.407 -2.133 8.045 1.00 0.00 N ATOM 539 CA GLY A 77 6.762 -2.352 8.516 1.00 0.00 C ATOM 540 C GLY A 77 7.679 -2.883 7.428 1.00 0.00 C ATOM 541 O GLY A 77 8.764 -3.388 7.716 1.00 0.00 O ATOM 0 H GLY A 77 5.260 -1.247 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.165 -1.415 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.744 -3.057 9.347 1.00 0.00 H new ATOM 545 N LEU A 78 7.242 -2.769 6.176 1.00 0.00 N ATOM 546 CA LEU A 78 8.030 -3.242 5.044 1.00 0.00 C ATOM 547 C LEU A 78 9.093 -2.218 4.655 1.00 0.00 C ATOM 548 O LEU A 78 8.986 -1.039 4.993 1.00 0.00 O ATOM 549 CB LEU A 78 7.119 -3.529 3.849 1.00 0.00 C ATOM 550 CG LEU A 78 5.825 -4.274 4.187 1.00 0.00 C ATOM 551 CD1 LEU A 78 4.669 -3.756 3.344 1.00 0.00 C ATOM 552 CD2 LEU A 78 6.006 -5.771 3.985 1.00 0.00 C ATOM 0 H LEU A 78 6.346 -2.353 5.921 1.00 0.00 H new ATOM 0 HA LEU A 78 8.531 -4.163 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.862 -2.583 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.677 -4.114 3.118 1.00 0.00 H new ATOM 0 HG LEU A 78 5.589 -4.093 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.760 -4.299 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.524 -2.693 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.894 -3.904 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.077 -6.286 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.268 -5.969 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.803 -6.132 4.635 1.00 0.00 H new ATOM 564 N LYS A 79 10.118 -2.676 3.943 1.00 0.00 N ATOM 565 CA LYS A 79 11.199 -1.796 3.508 1.00 0.00 C ATOM 566 C LYS A 79 11.052 -1.430 2.033 1.00 0.00 C ATOM 567 O LYS A 79 12.040 -1.159 1.351 1.00 0.00 O ATOM 568 CB LYS A 79 12.566 -2.447 3.755 1.00 0.00 C ATOM 569 CG LYS A 79 12.600 -3.946 3.493 1.00 0.00 C ATOM 570 CD LYS A 79 12.456 -4.261 2.012 1.00 0.00 C ATOM 571 CE LYS A 79 13.616 -3.698 1.206 1.00 0.00 C ATOM 572 NZ LYS A 79 14.214 -4.720 0.302 1.00 0.00 N ATOM 0 H LYS A 79 10.223 -3.649 3.655 1.00 0.00 H new ATOM 0 HA LYS A 79 11.136 -0.881 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.307 -1.962 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.862 -2.263 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.538 -4.359 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.797 -4.431 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.405 -5.341 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.519 -3.847 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.270 -2.850 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.381 -3.322 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.001 -4.296 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.568 -5.518 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.491 -5.060 -0.364 1.00 0.00 H new ATOM 586 N SER A 80 9.814 -1.421 1.549 1.00 0.00 N ATOM 587 CA SER A 80 9.541 -1.086 0.155 1.00 0.00 C ATOM 588 C SER A 80 9.609 0.422 -0.065 1.00 0.00 C ATOM 589 O SER A 80 9.982 1.174 0.836 1.00 0.00 O ATOM 590 CB SER A 80 8.164 -1.613 -0.257 1.00 0.00 C ATOM 591 OG SER A 80 8.277 -2.831 -0.973 1.00 0.00 O ATOM 0 H SER A 80 8.985 -1.641 2.100 1.00 0.00 H new ATOM 0 HA SER A 80 10.303 -1.559 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.549 -1.765 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.657 -0.871 -0.873 1.00 0.00 H new ATOM 0 HG SER A 80 7.645 -2.830 -1.722 1.00 0.00 H new ATOM 597 N GLY A 81 9.244 0.860 -1.267 1.00 0.00 N ATOM 598 CA GLY A 81 9.269 2.278 -1.580 1.00 0.00 C ATOM 599 C GLY A 81 10.246 2.617 -2.689 1.00 0.00 C ATOM 600 O GLY A 81 10.435 1.835 -3.621 1.00 0.00 O ATOM 0 H GLY A 81 8.932 0.259 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.269 2.599 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.535 2.839 -0.684 1.00 0.00 H new ATOM 604 N LEU A 82 10.861 3.794 -2.586 1.00 0.00 N ATOM 605 CA LEU A 82 11.823 4.261 -3.579 1.00 0.00 C ATOM 606 C LEU A 82 11.133 4.562 -4.902 1.00 0.00 C ATOM 607 O LEU A 82 11.044 5.715 -5.323 1.00 0.00 O ATOM 608 CB LEU A 82 12.937 3.229 -3.785 1.00 0.00 C ATOM 609 CG LEU A 82 14.193 3.458 -2.944 1.00 0.00 C ATOM 610 CD1 LEU A 82 14.998 2.173 -2.826 1.00 0.00 C ATOM 611 CD2 LEU A 82 15.042 4.568 -3.546 1.00 0.00 C ATOM 0 H LEU A 82 10.707 4.446 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 82 12.269 5.182 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.541 2.239 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.219 3.226 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 82 13.887 3.764 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.888 2.355 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.389 1.405 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.294 1.837 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.932 4.718 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.339 4.291 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.464 5.492 -3.578 1.00 0.00 H new ATOM 623 N LYS A 83 10.646 3.515 -5.548 1.00 0.00 N ATOM 624 CA LYS A 83 9.956 3.656 -6.826 1.00 0.00 C ATOM 625 C LYS A 83 8.484 4.016 -6.615 1.00 0.00 C ATOM 626 O LYS A 83 8.141 5.186 -6.444 1.00 0.00 O ATOM 627 CB LYS A 83 10.077 2.367 -7.646 1.00 0.00 C ATOM 628 CG LYS A 83 11.479 2.089 -8.161 1.00 0.00 C ATOM 629 CD LYS A 83 12.077 3.303 -8.857 1.00 0.00 C ATOM 630 CE LYS A 83 13.437 2.987 -9.456 1.00 0.00 C ATOM 631 NZ LYS A 83 14.526 3.080 -8.445 1.00 0.00 N ATOM 0 H LYS A 83 10.714 2.555 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 83 10.430 4.467 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.754 1.527 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.394 2.423 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.120 1.794 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.451 1.249 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.402 3.642 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.174 4.122 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.422 1.984 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.642 3.677 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.437 2.857 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.558 4.044 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.345 2.403 -7.676 1.00 0.00 H new ATOM 645 N LYS A 84 7.620 3.004 -6.626 1.00 0.00 N ATOM 646 CA LYS A 84 6.189 3.202 -6.434 1.00 0.00 C ATOM 647 C LYS A 84 5.472 1.857 -6.435 1.00 0.00 C ATOM 648 O LYS A 84 4.859 1.467 -5.442 1.00 0.00 O ATOM 649 CB LYS A 84 5.603 4.116 -7.521 1.00 0.00 C ATOM 650 CG LYS A 84 6.349 4.081 -8.848 1.00 0.00 C ATOM 651 CD LYS A 84 5.667 4.953 -9.893 1.00 0.00 C ATOM 652 CE LYS A 84 6.502 6.178 -10.232 1.00 0.00 C ATOM 653 NZ LYS A 84 7.108 6.794 -9.018 1.00 0.00 N ATOM 0 H LYS A 84 7.891 2.031 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 84 6.040 3.688 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.565 3.832 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.595 5.141 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.374 4.422 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.404 3.054 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.493 4.369 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.691 5.268 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.292 5.897 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.877 6.914 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.326 7.793 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.438 6.730 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.984 6.289 -8.773 1.00 0.00 H new ATOM 667 N GLN A 85 5.568 1.144 -7.554 1.00 0.00 N ATOM 668 CA GLN A 85 4.945 -0.169 -7.682 1.00 0.00 C ATOM 669 C GLN A 85 5.406 -1.094 -6.566 1.00 0.00 C ATOM 670 O GLN A 85 4.604 -1.779 -5.936 1.00 0.00 O ATOM 671 CB GLN A 85 5.277 -0.783 -9.038 1.00 0.00 C ATOM 672 CG GLN A 85 4.570 -2.103 -9.299 1.00 0.00 C ATOM 673 CD GLN A 85 3.514 -1.997 -10.383 1.00 0.00 C ATOM 674 OE1 GLN A 85 3.478 -2.805 -11.311 1.00 0.00 O ATOM 675 NE2 GLN A 85 2.649 -0.996 -10.270 1.00 0.00 N ATOM 0 H GLN A 85 6.072 1.454 -8.385 1.00 0.00 H new ATOM 0 HA GLN A 85 3.865 -0.043 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.009 -0.076 -9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.354 -0.938 -9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.306 -2.854 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.104 -2.450 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.717 -0.350 -9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.917 -0.873 -10.970 1.00 0.00 H new ATOM 684 N GLU A 86 6.715 -1.108 -6.334 1.00 0.00 N ATOM 685 CA GLU A 86 7.308 -1.948 -5.295 1.00 0.00 C ATOM 686 C GLU A 86 6.495 -1.882 -4.006 1.00 0.00 C ATOM 687 O GLU A 86 6.353 -2.881 -3.300 1.00 0.00 O ATOM 688 CB GLU A 86 8.752 -1.520 -5.027 1.00 0.00 C ATOM 689 CG GLU A 86 9.578 -2.578 -4.312 1.00 0.00 C ATOM 690 CD GLU A 86 10.829 -2.961 -5.080 1.00 0.00 C ATOM 691 OE1 GLU A 86 11.339 -2.115 -5.844 1.00 0.00 O ATOM 692 OE2 GLU A 86 11.299 -4.107 -4.915 1.00 0.00 O ATOM 0 H GLU A 86 7.389 -0.545 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 86 7.302 -2.978 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.232 -1.276 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.747 -0.609 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.861 -2.208 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.966 -3.466 -4.156 1.00 0.00 H new ATOM 699 N LEU A 87 5.949 -0.707 -3.713 1.00 0.00 N ATOM 700 CA LEU A 87 5.135 -0.527 -2.519 1.00 0.00 C ATOM 701 C LEU A 87 3.897 -1.407 -2.606 1.00 0.00 C ATOM 702 O LEU A 87 3.527 -2.077 -1.642 1.00 0.00 O ATOM 703 CB LEU A 87 4.736 0.945 -2.361 1.00 0.00 C ATOM 704 CG LEU A 87 5.899 1.903 -2.089 1.00 0.00 C ATOM 705 CD1 LEU A 87 5.561 3.309 -2.557 1.00 0.00 C ATOM 706 CD2 LEU A 87 6.256 1.902 -0.610 1.00 0.00 C ATOM 0 H LEU A 87 6.055 0.131 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 87 5.717 -0.818 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.224 1.267 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.019 1.026 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 87 6.765 1.557 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.402 3.972 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.359 3.297 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.679 3.667 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.084 2.588 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.392 2.220 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.548 0.897 -0.307 1.00 0.00 H new ATOM 718 N LEU A 88 3.276 -1.416 -3.781 1.00 0.00 N ATOM 719 CA LEU A 88 2.092 -2.234 -4.016 1.00 0.00 C ATOM 720 C LEU A 88 2.361 -3.676 -3.608 1.00 0.00 C ATOM 721 O LEU A 88 1.639 -4.249 -2.794 1.00 0.00 O ATOM 722 CB LEU A 88 1.682 -2.184 -5.492 1.00 0.00 C ATOM 723 CG LEU A 88 1.020 -0.883 -5.960 1.00 0.00 C ATOM 724 CD1 LEU A 88 1.680 0.333 -5.324 1.00 0.00 C ATOM 725 CD2 LEU A 88 1.075 -0.784 -7.478 1.00 0.00 C ATOM 0 H LEU A 88 3.574 -0.865 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 88 1.277 -1.834 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.569 -2.357 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.996 -3.008 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.023 -0.900 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.188 1.240 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.591 0.270 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.734 0.361 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.602 0.144 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.114 -0.794 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.548 -1.631 -7.917 1.00 0.00 H new ATOM 737 N GLU A 89 3.415 -4.255 -4.181 1.00 0.00 N ATOM 738 CA GLU A 89 3.792 -5.630 -3.878 1.00 0.00 C ATOM 739 C GLU A 89 3.876 -5.849 -2.374 1.00 0.00 C ATOM 740 O GLU A 89 3.261 -6.770 -1.838 1.00 0.00 O ATOM 741 CB GLU A 89 5.127 -5.978 -4.540 1.00 0.00 C ATOM 742 CG GLU A 89 4.987 -6.887 -5.750 1.00 0.00 C ATOM 743 CD GLU A 89 5.572 -6.279 -7.010 1.00 0.00 C ATOM 744 OE1 GLU A 89 4.862 -5.499 -7.678 1.00 0.00 O ATOM 745 OE2 GLU A 89 6.741 -6.583 -7.328 1.00 0.00 O ATOM 0 H GLU A 89 4.022 -3.791 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 89 3.021 -6.289 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.624 -5.056 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.772 -6.461 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.483 -7.836 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.932 -7.107 -5.914 1.00 0.00 H new ATOM 752 N ALA A 90 4.630 -4.990 -1.690 1.00 0.00 N ATOM 753 CA ALA A 90 4.768 -5.097 -0.245 1.00 0.00 C ATOM 754 C ALA A 90 3.395 -5.145 0.408 1.00 0.00 C ATOM 755 O ALA A 90 3.147 -5.942 1.314 1.00 0.00 O ATOM 756 CB ALA A 90 5.582 -3.932 0.299 1.00 0.00 C ATOM 0 H ALA A 90 5.149 -4.220 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 90 5.297 -6.020 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.676 -4.027 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.574 -3.939 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.080 -2.994 0.059 1.00 0.00 H new ATOM 762 N LEU A 91 2.500 -4.294 -0.079 1.00 0.00 N ATOM 763 CA LEU A 91 1.138 -4.237 0.428 1.00 0.00 C ATOM 764 C LEU A 91 0.390 -5.512 0.085 1.00 0.00 C ATOM 765 O LEU A 91 -0.068 -6.238 0.967 1.00 0.00 O ATOM 766 CB LEU A 91 0.404 -3.043 -0.174 1.00 0.00 C ATOM 767 CG LEU A 91 0.595 -1.718 0.572 1.00 0.00 C ATOM 768 CD1 LEU A 91 1.118 -0.641 -0.367 1.00 0.00 C ATOM 769 CD2 LEU A 91 -0.712 -1.278 1.217 1.00 0.00 C ATOM 0 H LEU A 91 2.697 -3.631 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 91 1.180 -4.129 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.737 -2.913 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.661 -3.272 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 91 1.334 -1.871 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.246 0.291 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.077 -0.953 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.406 -0.488 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.559 -0.335 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.471 -1.145 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.043 -2.038 1.924 1.00 0.00 H new ATOM 781 N THR A 92 0.276 -5.778 -1.211 1.00 0.00 N ATOM 782 CA THR A 92 -0.410 -6.964 -1.691 1.00 0.00 C ATOM 783 C THR A 92 0.107 -8.203 -0.967 1.00 0.00 C ATOM 784 O THR A 92 -0.663 -8.951 -0.369 1.00 0.00 O ATOM 785 CB THR A 92 -0.215 -7.090 -3.204 1.00 0.00 C ATOM 786 OG1 THR A 92 -1.064 -6.189 -3.892 1.00 0.00 O ATOM 787 CG2 THR A 92 -0.492 -8.476 -3.743 1.00 0.00 C ATOM 0 H THR A 92 0.653 -5.183 -1.949 1.00 0.00 H new ATOM 0 HA THR A 92 -1.476 -6.876 -1.483 1.00 0.00 H new ATOM 0 HB THR A 92 0.837 -6.861 -3.373 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.925 -6.281 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.332 -8.486 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.181 -9.191 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.524 -8.751 -3.527 1.00 0.00 H new ATOM 795 N LYS A 93 1.420 -8.405 -1.015 1.00 0.00 N ATOM 796 CA LYS A 93 2.046 -9.542 -0.350 1.00 0.00 C ATOM 797 C LYS A 93 1.578 -9.655 1.100 1.00 0.00 C ATOM 798 O LYS A 93 1.471 -10.754 1.643 1.00 0.00 O ATOM 799 CB LYS A 93 3.570 -9.415 -0.400 1.00 0.00 C ATOM 800 CG LYS A 93 4.158 -9.681 -1.776 1.00 0.00 C ATOM 801 CD LYS A 93 5.671 -9.810 -1.719 1.00 0.00 C ATOM 802 CE LYS A 93 6.290 -9.719 -3.105 1.00 0.00 C ATOM 803 NZ LYS A 93 6.497 -11.064 -3.710 1.00 0.00 N ATOM 0 H LYS A 93 2.072 -7.795 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 93 1.747 -10.447 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.853 -8.412 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.008 -10.112 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.729 -10.595 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.886 -8.870 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.081 -9.024 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.939 -10.762 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.645 -9.125 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.245 -9.198 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.921 -10.959 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.133 -11.622 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.582 -11.552 -3.794 1.00 0.00 H new ATOM 817 N HIS A 94 1.312 -8.509 1.725 1.00 0.00 N ATOM 818 CA HIS A 94 0.868 -8.484 3.115 1.00 0.00 C ATOM 819 C HIS A 94 -0.641 -8.704 3.230 1.00 0.00 C ATOM 820 O HIS A 94 -1.192 -8.697 4.331 1.00 0.00 O ATOM 821 CB HIS A 94 1.253 -7.155 3.766 1.00 0.00 C ATOM 822 CG HIS A 94 1.518 -7.261 5.236 1.00 0.00 C ATOM 823 ND1 HIS A 94 2.453 -6.485 5.889 1.00 0.00 N ATOM 824 CD2 HIS A 94 0.968 -8.058 6.183 1.00 0.00 C ATOM 825 CE1 HIS A 94 2.467 -6.801 7.172 1.00 0.00 C ATOM 826 NE2 HIS A 94 1.575 -7.752 7.376 1.00 0.00 N ATOM 0 H HIS A 94 1.396 -7.590 1.292 1.00 0.00 H new ATOM 0 HA HIS A 94 1.365 -9.302 3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.142 -6.763 3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.452 -6.434 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.196 -8.797 6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.101 -6.357 7.925 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.370 -8.189 8.275 1.00 0.00 H new ATOM 835 N PHE A 95 -1.310 -8.903 2.097 1.00 0.00 N ATOM 836 CA PHE A 95 -2.751 -9.128 2.097 1.00 0.00 C ATOM 837 C PHE A 95 -3.164 -10.040 0.943 1.00 0.00 C ATOM 838 O PHE A 95 -4.318 -10.031 0.516 1.00 0.00 O ATOM 839 CB PHE A 95 -3.501 -7.793 2.004 1.00 0.00 C ATOM 840 CG PHE A 95 -4.391 -7.526 3.186 1.00 0.00 C ATOM 841 CD1 PHE A 95 -5.148 -8.543 3.748 1.00 0.00 C ATOM 842 CD2 PHE A 95 -4.463 -6.258 3.740 1.00 0.00 C ATOM 843 CE1 PHE A 95 -5.960 -8.299 4.840 1.00 0.00 C ATOM 844 CE2 PHE A 95 -5.274 -6.008 4.831 1.00 0.00 C ATOM 845 CZ PHE A 95 -6.023 -7.030 5.382 1.00 0.00 C ATOM 0 H PHE A 95 -0.879 -8.913 1.172 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.014 -9.619 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.777 -6.983 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.103 -7.785 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.103 -9.537 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.879 -5.456 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.544 -9.100 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.322 -5.015 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.657 -6.837 6.235 1.00 0.00 H new ATOM 855 N GLN A 96 -2.215 -10.828 0.442 1.00 0.00 N ATOM 856 CA GLN A 96 -2.487 -11.742 -0.662 1.00 0.00 C ATOM 857 C GLN A 96 -3.341 -12.918 -0.197 1.00 0.00 C ATOM 858 O GLN A 96 -3.623 -13.061 0.993 1.00 0.00 O ATOM 859 CB GLN A 96 -1.177 -12.253 -1.265 1.00 0.00 C ATOM 860 CG GLN A 96 -1.158 -12.232 -2.784 1.00 0.00 C ATOM 861 CD GLN A 96 0.023 -12.985 -3.364 1.00 0.00 C ATOM 862 OE1 GLN A 96 1.121 -12.442 -3.486 1.00 0.00 O ATOM 863 NE2 GLN A 96 -0.197 -14.244 -3.725 1.00 0.00 N ATOM 0 H GLN A 96 -1.254 -10.851 0.783 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.040 -11.195 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.353 -11.645 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.002 -13.273 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.083 -12.669 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.130 -11.198 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.123 -14.654 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.560 -14.801 -4.121 1.00 0.00 H new ATOM 872 N ASP A 97 -3.750 -13.756 -1.144 1.00 0.00 N ATOM 873 CA ASP A 97 -4.572 -14.920 -0.832 1.00 0.00 C ATOM 874 C ASP A 97 -3.715 -16.069 -0.313 1.00 0.00 C ATOM 875 O ASP A 97 -2.674 -16.359 -0.940 1.00 0.00 O ATOM 876 CB ASP A 97 -5.350 -15.367 -2.071 1.00 0.00 C ATOM 877 CG ASP A 97 -6.221 -14.262 -2.636 1.00 0.00 C ATOM 878 OD1 ASP A 97 -7.369 -14.113 -2.169 1.00 0.00 O ATOM 879 OD2 ASP A 97 -5.754 -13.545 -3.546 1.00 0.00 O ATOM 880 OXT ASP A 97 -4.090 -16.670 0.715 1.00 0.00 O ATOM 0 H ASP A 97 -3.526 -13.651 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.277 -14.637 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.649 -15.701 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.974 -16.223 -1.815 1.00 0.00 H new TER 885 ASP A 97