USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 616 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 32 TYR OH : rot -28:sc= 0.167 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 139:sc= -5.27! (180deg=-7.77!) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.504 K(o=-0.5,f=-2.3) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.05! K(o=-1!,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= 0.131 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.546 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00982) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.0757 (180deg=-0.445) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -0.343 (180deg=-1.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -51:sc= -1.02! USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= -0.486 (180deg=-0.638) USER MOD Single : A 48 LYS NZ :NH3+ -147:sc=-0.00952 (180deg=-0.09) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0098 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00951 USER MOD Single : A 59 MET CE :methyl 169:sc= 0 (180deg=-0.186) USER MOD Single : A 62 GLN : amide:sc= 0.0786 X(o=0.079,f=-0.22) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.19 K(o=-3.2,f=-0.7) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.0484 (180deg=-0.4) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 62.640 -9.075 7.662 1.00 0.00 N ATOM 18 CA GLU A 2 61.830 -7.993 8.290 1.00 0.00 C ATOM 19 C GLU A 2 62.439 -7.611 9.642 1.00 0.00 C ATOM 20 O GLU A 2 62.492 -6.452 10.004 1.00 0.00 O ATOM 21 CB GLU A 2 60.396 -8.488 8.499 1.00 0.00 C ATOM 22 CG GLU A 2 59.493 -7.304 8.854 1.00 0.00 C ATOM 23 CD GLU A 2 58.038 -7.772 8.926 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.809 -8.861 9.425 1.00 0.00 O ATOM 25 OE2 GLU A 2 57.176 -7.029 8.483 1.00 0.00 O ATOM 0 HA GLU A 2 61.825 -7.120 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.034 -8.977 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.369 -9.231 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.796 -6.876 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 2 59.596 -6.518 8.106 1.00 0.00 H new ATOM 32 N GLN A 3 62.893 -8.576 10.396 1.00 0.00 N ATOM 33 CA GLN A 3 63.487 -8.267 11.724 1.00 0.00 C ATOM 34 C GLN A 3 64.873 -7.640 11.545 1.00 0.00 C ATOM 35 O GLN A 3 65.311 -6.845 12.352 1.00 0.00 O ATOM 36 CB GLN A 3 63.614 -9.555 12.541 1.00 0.00 C ATOM 37 CG GLN A 3 63.962 -9.207 13.991 1.00 0.00 C ATOM 38 CD GLN A 3 63.905 -10.467 14.866 1.00 0.00 C ATOM 39 OE1 GLN A 3 64.143 -10.399 16.056 1.00 0.00 O ATOM 40 NE2 GLN A 3 63.599 -11.621 14.332 1.00 0.00 N ATOM 0 H GLN A 3 62.877 -9.565 10.147 1.00 0.00 H new ATOM 0 HA GLN A 3 62.840 -7.563 12.247 1.00 0.00 H new ATOM 0 HB2 GLN A 3 62.680 -10.115 12.504 1.00 0.00 H new ATOM 0 HB3 GLN A 3 64.386 -10.195 12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 3 64.958 -8.767 14.038 1.00 0.00 H new ATOM 0 HG3 GLN A 3 63.265 -8.460 14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 3 63.398 -11.684 13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 3 63.561 -12.458 14.914 1.00 0.00 H new ATOM 49 N LEU A 4 65.569 -7.994 10.500 1.00 0.00 N ATOM 50 CA LEU A 4 66.927 -7.418 10.283 1.00 0.00 C ATOM 51 C LEU A 4 66.808 -5.935 9.927 1.00 0.00 C ATOM 52 O LEU A 4 67.685 -5.144 10.217 1.00 0.00 O ATOM 53 CB LEU A 4 67.630 -8.166 9.145 1.00 0.00 C ATOM 54 CG LEU A 4 66.778 -8.094 7.876 1.00 0.00 C ATOM 55 CD1 LEU A 4 67.552 -7.356 6.782 1.00 0.00 C ATOM 56 CD2 LEU A 4 66.458 -9.513 7.402 1.00 0.00 C ATOM 0 H LEU A 4 65.258 -8.655 9.789 1.00 0.00 H new ATOM 0 HA LEU A 4 67.511 -7.523 11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 4 68.611 -7.728 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.793 -9.206 9.427 1.00 0.00 H new ATOM 0 HG LEU A 4 65.852 -7.560 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 4 66.945 -7.305 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.786 -6.346 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 4 68.478 -7.890 6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 4 65.851 -9.466 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.386 -10.043 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 4 65.909 -10.042 8.181 1.00 0.00 H new ATOM 68 N ALA A 5 65.728 -5.547 9.303 1.00 0.00 N ATOM 69 CA ALA A 5 65.554 -4.112 8.933 1.00 0.00 C ATOM 70 C ALA A 5 64.928 -3.354 10.107 1.00 0.00 C ATOM 71 O ALA A 5 64.831 -2.143 10.095 1.00 0.00 O ATOM 72 CB ALA A 5 64.636 -4.009 7.712 1.00 0.00 C ATOM 0 H ALA A 5 64.959 -6.161 9.034 1.00 0.00 H new ATOM 0 HA ALA A 5 66.525 -3.677 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 5 64.508 -2.961 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 5 65.081 -4.549 6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.665 -4.444 7.949 1.00 0.00 H new ATOM 78 N LYS A 6 64.505 -4.058 11.121 1.00 0.00 N ATOM 79 CA LYS A 6 63.885 -3.380 12.294 1.00 0.00 C ATOM 80 C LYS A 6 64.977 -2.976 13.286 1.00 0.00 C ATOM 81 O LYS A 6 65.102 -1.824 13.655 1.00 0.00 O ATOM 82 CB LYS A 6 62.911 -4.342 12.978 1.00 0.00 C ATOM 83 CG LYS A 6 62.116 -3.591 14.048 1.00 0.00 C ATOM 84 CD LYS A 6 62.710 -3.886 15.427 1.00 0.00 C ATOM 85 CE LYS A 6 62.884 -2.578 16.199 1.00 0.00 C ATOM 86 NZ LYS A 6 62.859 -2.857 17.663 1.00 0.00 N ATOM 0 H LYS A 6 64.562 -5.074 11.188 1.00 0.00 H new ATOM 0 HA LYS A 6 63.350 -2.491 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.233 -4.773 12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.458 -5.169 13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.143 -2.519 13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.070 -3.895 14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 6 62.057 -4.562 15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 6 63.672 -4.388 15.320 1.00 0.00 H new ATOM 0 HE2 LYS A 6 63.826 -2.104 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 6 62.088 -1.880 15.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 62.977 -1.967 18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 61.949 -3.291 17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 63.633 -3.508 17.906 1.00 0.00 H new ATOM 100 N GLN A 7 65.765 -3.918 13.727 1.00 0.00 N ATOM 101 CA GLN A 7 66.844 -3.599 14.699 1.00 0.00 C ATOM 102 C GLN A 7 67.972 -2.843 13.990 1.00 0.00 C ATOM 103 O GLN A 7 68.941 -2.441 14.605 1.00 0.00 O ATOM 104 CB GLN A 7 67.394 -4.899 15.292 1.00 0.00 C ATOM 105 CG GLN A 7 66.354 -5.511 16.234 1.00 0.00 C ATOM 106 CD GLN A 7 67.040 -6.504 17.174 1.00 0.00 C ATOM 107 OE1 GLN A 7 66.895 -7.701 17.023 1.00 0.00 O ATOM 108 NE2 GLN A 7 67.786 -6.056 18.146 1.00 0.00 N ATOM 0 H GLN A 7 65.706 -4.899 13.453 1.00 0.00 H new ATOM 0 HA GLN A 7 66.440 -2.976 15.496 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.636 -5.601 14.494 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.319 -4.701 15.834 1.00 0.00 H new ATOM 0 HG2 GLN A 7 65.864 -4.727 16.811 1.00 0.00 H new ATOM 0 HG3 GLN A 7 65.578 -6.015 15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 7 67.908 -5.051 18.274 1.00 0.00 H new ATOM 0 HE22 GLN A 7 68.247 -6.710 18.778 1.00 0.00 H new ATOM 117 N LYS A 8 67.859 -2.648 12.704 1.00 0.00 N ATOM 118 CA LYS A 8 68.932 -1.920 11.967 1.00 0.00 C ATOM 119 C LYS A 8 68.668 -0.414 12.036 1.00 0.00 C ATOM 120 O LYS A 8 69.556 0.369 12.309 1.00 0.00 O ATOM 121 CB LYS A 8 68.946 -2.369 10.505 1.00 0.00 C ATOM 122 CG LYS A 8 70.308 -2.984 10.174 1.00 0.00 C ATOM 123 CD LYS A 8 71.406 -1.938 10.383 1.00 0.00 C ATOM 124 CE LYS A 8 72.756 -2.528 9.970 1.00 0.00 C ATOM 125 NZ LYS A 8 73.838 -1.547 10.267 1.00 0.00 N ATOM 0 H LYS A 8 67.073 -2.960 12.133 1.00 0.00 H new ATOM 0 HA LYS A 8 69.897 -2.141 12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.154 -3.097 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.750 -1.520 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 8 70.491 -3.851 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 70.319 -3.337 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.191 -1.046 9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.436 -1.630 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.937 -3.459 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.750 -2.768 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 74.310 -1.272 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.428 -0.704 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 74.532 -1.980 10.910 1.00 0.00 H new ATOM 139 N GLY A 9 67.453 -0.002 11.792 1.00 0.00 N ATOM 140 CA GLY A 9 67.138 1.453 11.846 1.00 0.00 C ATOM 141 C GLY A 9 66.548 1.906 10.508 1.00 0.00 C ATOM 142 O GLY A 9 66.447 3.085 10.234 1.00 0.00 O ATOM 0 H GLY A 9 66.667 -0.609 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 66.431 1.652 12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 9 68.041 2.022 12.067 1.00 0.00 H new ATOM 146 N CYS A 10 66.156 0.982 9.676 1.00 0.00 N ATOM 147 CA CYS A 10 65.572 1.370 8.361 1.00 0.00 C ATOM 148 C CYS A 10 64.065 1.582 8.518 1.00 0.00 C ATOM 149 O CYS A 10 63.483 2.456 7.905 1.00 0.00 O ATOM 150 CB CYS A 10 65.822 0.257 7.339 1.00 0.00 C ATOM 151 SG CYS A 10 67.551 -0.275 7.425 1.00 0.00 S ATOM 0 H CYS A 10 66.214 -0.022 9.848 1.00 0.00 H new ATOM 0 HA CYS A 10 66.039 2.292 8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 10 65.162 -0.587 7.538 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.591 0.613 6.335 1.00 0.00 H new ATOM 0 HG CYS A 10 67.758 -1.221 6.558 1.00 0.00 H new ATOM 156 N MET A 11 63.428 0.786 9.335 1.00 0.00 N ATOM 157 CA MET A 11 61.958 0.935 9.535 1.00 0.00 C ATOM 158 C MET A 11 61.654 2.309 10.135 1.00 0.00 C ATOM 159 O MET A 11 60.549 2.806 10.038 1.00 0.00 O ATOM 160 CB MET A 11 61.461 -0.155 10.487 1.00 0.00 C ATOM 161 CG MET A 11 61.225 -1.447 9.704 1.00 0.00 C ATOM 162 SD MET A 11 59.466 -1.868 9.749 1.00 0.00 S ATOM 163 CE MET A 11 59.512 -3.160 8.484 1.00 0.00 C ATOM 0 H MET A 11 63.864 0.037 9.873 1.00 0.00 H new ATOM 0 HA MET A 11 61.453 0.841 8.574 1.00 0.00 H new ATOM 0 HB2 MET A 11 62.193 -0.324 11.277 1.00 0.00 H new ATOM 0 HB3 MET A 11 60.538 0.163 10.971 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.554 -1.325 8.672 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.815 -2.257 10.133 1.00 0.00 H new ATOM 0 HE1 MET A 11 58.511 -3.569 8.345 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.864 -2.736 7.544 1.00 0.00 H new ATOM 0 HE3 MET A 11 60.188 -3.955 8.800 1.00 0.00 H new ATOM 173 N ALA A 12 62.620 2.925 10.756 1.00 0.00 N ATOM 174 CA ALA A 12 62.376 4.264 11.360 1.00 0.00 C ATOM 175 C ALA A 12 61.708 5.172 10.325 1.00 0.00 C ATOM 176 O ALA A 12 60.930 6.043 10.658 1.00 0.00 O ATOM 177 CB ALA A 12 63.707 4.880 11.796 1.00 0.00 C ATOM 0 H ALA A 12 63.566 2.561 10.871 1.00 0.00 H new ATOM 0 HA ALA A 12 61.725 4.159 12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.527 5.860 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 12 64.184 4.232 12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 12 64.360 4.987 10.930 1.00 0.00 H new ATOM 183 N CYS A 13 62.010 4.976 9.071 1.00 0.00 N ATOM 184 CA CYS A 13 61.400 5.828 8.015 1.00 0.00 C ATOM 185 C CYS A 13 60.947 4.950 6.845 1.00 0.00 C ATOM 186 O CYS A 13 61.033 5.342 5.698 1.00 0.00 O ATOM 187 CB CYS A 13 62.446 6.821 7.514 1.00 0.00 C ATOM 188 SG CYS A 13 63.360 7.506 8.920 1.00 0.00 S ATOM 0 H CYS A 13 62.654 4.261 8.733 1.00 0.00 H new ATOM 0 HA CYS A 13 60.542 6.360 8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 13 63.133 6.325 6.828 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.962 7.623 6.957 1.00 0.00 H new ATOM 0 HG CYS A 13 64.251 8.349 8.489 1.00 0.00 H new ATOM 193 N HIS A 14 60.473 3.764 7.115 1.00 0.00 N ATOM 194 CA HIS A 14 60.033 2.876 6.001 1.00 0.00 C ATOM 195 C HIS A 14 58.741 2.152 6.384 1.00 0.00 C ATOM 196 O HIS A 14 58.174 2.378 7.434 1.00 0.00 O ATOM 197 CB HIS A 14 61.126 1.845 5.712 1.00 0.00 C ATOM 198 CG HIS A 14 62.106 2.416 4.725 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.843 2.459 3.365 1.00 0.00 N ATOM 200 CD2 HIS A 14 63.352 2.970 4.884 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.908 3.021 2.764 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.857 3.351 3.644 1.00 0.00 N ATOM 0 H HIS A 14 60.372 3.373 8.052 1.00 0.00 H new ATOM 0 HA HIS A 14 59.852 3.482 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.639 1.575 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.683 0.932 5.314 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.997 2.126 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.863 3.092 5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.986 3.185 1.699 1.00 0.00 H new ATOM 210 N ASP A 15 58.276 1.282 5.527 1.00 0.00 N ATOM 211 CA ASP A 15 57.023 0.529 5.816 1.00 0.00 C ATOM 212 C ASP A 15 56.466 -0.035 4.507 1.00 0.00 C ATOM 213 O ASP A 15 56.428 0.639 3.497 1.00 0.00 O ATOM 214 CB ASP A 15 55.989 1.463 6.447 1.00 0.00 C ATOM 215 CG ASP A 15 56.081 2.843 5.793 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.925 2.915 4.585 1.00 0.00 O ATOM 217 OD2 ASP A 15 56.305 3.803 6.510 1.00 0.00 O ATOM 0 H ASP A 15 58.715 1.060 4.633 1.00 0.00 H new ATOM 0 HA ASP A 15 57.240 -0.284 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 15 54.987 1.054 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 56.164 1.545 7.520 1.00 0.00 H new ATOM 222 N LEU A 16 56.036 -1.267 4.512 1.00 0.00 N ATOM 223 CA LEU A 16 55.488 -1.869 3.263 1.00 0.00 C ATOM 224 C LEU A 16 54.394 -0.967 2.694 1.00 0.00 C ATOM 225 O LEU A 16 54.541 -0.386 1.636 1.00 0.00 O ATOM 226 CB LEU A 16 54.888 -3.239 3.574 1.00 0.00 C ATOM 227 CG LEU A 16 55.875 -4.058 4.410 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.436 -5.524 4.430 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.276 -3.957 3.799 1.00 0.00 C ATOM 0 H LEU A 16 56.040 -1.882 5.326 1.00 0.00 H new ATOM 0 HA LEU A 16 56.293 -1.975 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 16 53.949 -3.121 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.658 -3.765 2.647 1.00 0.00 H new ATOM 0 HG LEU A 16 55.893 -3.668 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.139 -6.106 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.441 -5.600 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.415 -5.911 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.976 -4.541 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.257 -4.344 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.593 -2.914 3.785 1.00 0.00 H new ATOM 241 N LYS A 17 53.295 -0.850 3.384 1.00 0.00 N ATOM 242 CA LYS A 17 52.190 0.008 2.879 1.00 0.00 C ATOM 243 C LYS A 17 51.783 1.013 3.958 1.00 0.00 C ATOM 244 O LYS A 17 50.615 1.267 4.176 1.00 0.00 O ATOM 245 CB LYS A 17 50.990 -0.869 2.513 1.00 0.00 C ATOM 246 CG LYS A 17 51.382 -1.820 1.381 1.00 0.00 C ATOM 247 CD LYS A 17 51.666 -3.209 1.957 1.00 0.00 C ATOM 248 CE LYS A 17 50.511 -4.150 1.611 1.00 0.00 C ATOM 249 NZ LYS A 17 49.308 -3.768 2.403 1.00 0.00 N ATOM 0 H LYS A 17 53.115 -1.312 4.276 1.00 0.00 H new ATOM 0 HA LYS A 17 52.527 0.549 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.662 -1.438 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.151 -0.246 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 17 50.580 -1.877 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 17 52.264 -1.442 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 52.600 -3.598 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 17 51.788 -3.148 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 17 50.290 -4.096 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 17 50.790 -5.181 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 48.542 -4.447 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 49.543 -3.775 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 48.998 -2.815 2.126 1.00 0.00 H new ATOM 263 N ALA A 18 52.739 1.587 4.634 1.00 0.00 N ATOM 264 CA ALA A 18 52.413 2.578 5.698 1.00 0.00 C ATOM 265 C ALA A 18 53.396 3.746 5.610 1.00 0.00 C ATOM 266 O ALA A 18 53.996 4.146 6.587 1.00 0.00 O ATOM 267 CB ALA A 18 52.535 1.914 7.068 1.00 0.00 C ATOM 0 H ALA A 18 53.734 1.412 4.495 1.00 0.00 H new ATOM 0 HA ALA A 18 51.394 2.941 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.297 2.639 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.842 1.075 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.554 1.553 7.208 1.00 0.00 H new ATOM 273 N LYS A 19 53.566 4.288 4.438 1.00 0.00 N ATOM 274 CA LYS A 19 54.513 5.426 4.263 1.00 0.00 C ATOM 275 C LYS A 19 54.351 6.427 5.410 1.00 0.00 C ATOM 276 O LYS A 19 53.253 6.768 5.802 1.00 0.00 O ATOM 277 CB LYS A 19 54.223 6.128 2.935 1.00 0.00 C ATOM 278 CG LYS A 19 55.005 5.442 1.814 1.00 0.00 C ATOM 279 CD LYS A 19 55.016 6.338 0.575 1.00 0.00 C ATOM 280 CE LYS A 19 53.579 6.694 0.193 1.00 0.00 C ATOM 281 NZ LYS A 19 53.279 8.086 0.632 1.00 0.00 N ATOM 0 H LYS A 19 53.087 3.991 3.588 1.00 0.00 H new ATOM 0 HA LYS A 19 55.533 5.043 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 19 53.155 6.096 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.504 7.179 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.026 5.241 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.551 4.480 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 19 55.587 7.245 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.508 5.827 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.445 6.604 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.884 5.996 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.543 8.492 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.943 8.075 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.141 8.664 0.567 1.00 0.00 H new ATOM 295 N LYS A 20 55.443 6.906 5.939 1.00 0.00 N ATOM 296 CA LYS A 20 55.370 7.896 7.051 1.00 0.00 C ATOM 297 C LYS A 20 56.455 8.951 6.839 1.00 0.00 C ATOM 298 O LYS A 20 56.184 10.132 6.752 1.00 0.00 O ATOM 299 CB LYS A 20 55.594 7.191 8.389 1.00 0.00 C ATOM 300 CG LYS A 20 54.504 7.615 9.375 1.00 0.00 C ATOM 301 CD LYS A 20 53.894 6.374 10.030 1.00 0.00 C ATOM 302 CE LYS A 20 54.967 5.639 10.836 1.00 0.00 C ATOM 303 NZ LYS A 20 55.347 4.385 10.126 1.00 0.00 N ATOM 0 H LYS A 20 56.387 6.653 5.648 1.00 0.00 H new ATOM 0 HA LYS A 20 54.387 8.368 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.574 6.110 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.577 7.444 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 20 54.924 8.272 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 53.731 8.182 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 20 53.069 6.663 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 53.482 5.713 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 20 55.842 6.277 10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.593 5.406 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 55.120 3.565 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 54.820 4.319 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 56.368 4.395 9.926 1.00 0.00 H new ATOM 317 N VAL A 21 57.681 8.526 6.738 1.00 0.00 N ATOM 318 CA VAL A 21 58.796 9.488 6.513 1.00 0.00 C ATOM 319 C VAL A 21 59.454 9.167 5.171 1.00 0.00 C ATOM 320 O VAL A 21 59.384 9.935 4.232 1.00 0.00 O ATOM 321 CB VAL A 21 59.833 9.353 7.629 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.960 10.361 7.404 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.169 9.629 8.979 1.00 0.00 C ATOM 0 H VAL A 21 57.962 7.548 6.802 1.00 0.00 H new ATOM 0 HA VAL A 21 58.408 10.506 6.510 1.00 0.00 H new ATOM 0 HB VAL A 21 60.241 8.342 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.699 10.264 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.435 10.167 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.551 11.371 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 21 59.908 9.533 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.760 10.639 8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.365 8.912 9.142 1.00 0.00 H new ATOM 333 N GLY A 22 60.083 8.027 5.073 1.00 0.00 N ATOM 334 CA GLY A 22 60.737 7.645 3.790 1.00 0.00 C ATOM 335 C GLY A 22 59.712 6.938 2.899 1.00 0.00 C ATOM 336 O GLY A 22 58.539 6.907 3.216 1.00 0.00 O ATOM 0 H GLY A 22 60.172 7.345 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 22 61.126 8.531 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.586 6.989 3.981 1.00 0.00 H new ATOM 340 N PRO A 23 60.185 6.394 1.810 1.00 0.00 N ATOM 341 CA PRO A 23 59.332 5.679 0.845 1.00 0.00 C ATOM 342 C PRO A 23 59.020 4.265 1.350 1.00 0.00 C ATOM 343 O PRO A 23 59.872 3.589 1.894 1.00 0.00 O ATOM 344 CB PRO A 23 60.191 5.627 -0.421 1.00 0.00 C ATOM 345 CG PRO A 23 61.660 5.789 0.042 1.00 0.00 C ATOM 346 CD PRO A 23 61.614 6.440 1.438 1.00 0.00 C ATOM 0 HA PRO A 23 58.369 6.163 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 23 60.051 4.683 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.912 6.422 -1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 23 62.162 4.822 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 23 62.220 6.411 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 23 62.230 5.894 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.987 7.464 1.413 1.00 0.00 H new ATOM 354 N ALA A 24 57.808 3.811 1.173 1.00 0.00 N ATOM 355 CA ALA A 24 57.452 2.442 1.642 1.00 0.00 C ATOM 356 C ALA A 24 58.171 1.410 0.769 1.00 0.00 C ATOM 357 O ALA A 24 58.432 1.643 -0.395 1.00 0.00 O ATOM 358 CB ALA A 24 55.938 2.236 1.538 1.00 0.00 C ATOM 0 H ALA A 24 57.051 4.328 0.725 1.00 0.00 H new ATOM 0 HA ALA A 24 57.758 2.322 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.683 1.234 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.427 2.973 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.625 2.354 0.501 1.00 0.00 H new ATOM 364 N TYR A 25 58.499 0.276 1.321 1.00 0.00 N ATOM 365 CA TYR A 25 59.204 -0.763 0.525 1.00 0.00 C ATOM 366 C TYR A 25 58.311 -1.230 -0.627 1.00 0.00 C ATOM 367 O TYR A 25 58.771 -1.452 -1.728 1.00 0.00 O ATOM 368 CB TYR A 25 59.530 -1.951 1.430 1.00 0.00 C ATOM 369 CG TYR A 25 60.672 -1.592 2.352 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.778 -0.886 1.860 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.625 -1.963 3.701 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.834 -0.554 2.716 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.682 -1.630 4.558 1.00 0.00 C ATOM 374 CZ TYR A 25 62.786 -0.926 4.065 1.00 0.00 C ATOM 375 OH TYR A 25 63.828 -0.597 4.908 1.00 0.00 O ATOM 0 H TYR A 25 58.308 0.024 2.291 1.00 0.00 H new ATOM 0 HA TYR A 25 60.124 -0.345 0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.652 -2.227 2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.797 -2.818 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.815 -0.598 0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.773 -2.507 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.686 -0.011 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.645 -1.917 5.599 1.00 0.00 H new ATOM 0 HH TYR A 25 63.636 -0.928 5.810 1.00 0.00 H new ATOM 385 N ALA A 26 57.039 -1.387 -0.382 1.00 0.00 N ATOM 386 CA ALA A 26 56.122 -1.845 -1.466 1.00 0.00 C ATOM 387 C ALA A 26 56.091 -0.809 -2.592 1.00 0.00 C ATOM 388 O ALA A 26 56.310 -1.124 -3.744 1.00 0.00 O ATOM 389 CB ALA A 26 54.713 -2.019 -0.898 1.00 0.00 C ATOM 0 H ALA A 26 56.595 -1.218 0.521 1.00 0.00 H new ATOM 0 HA ALA A 26 56.479 -2.796 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.041 -2.354 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.732 -2.761 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.361 -1.067 -0.501 1.00 0.00 H new ATOM 395 N ASP A 27 55.815 0.425 -2.270 1.00 0.00 N ATOM 396 CA ASP A 27 55.764 1.479 -3.320 1.00 0.00 C ATOM 397 C ASP A 27 57.096 1.522 -4.072 1.00 0.00 C ATOM 398 O ASP A 27 57.144 1.794 -5.255 1.00 0.00 O ATOM 399 CB ASP A 27 55.504 2.834 -2.662 1.00 0.00 C ATOM 400 CG ASP A 27 53.996 3.073 -2.565 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.294 2.153 -2.178 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.569 4.172 -2.878 1.00 0.00 O ATOM 0 H ASP A 27 55.622 0.749 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 27 54.962 1.254 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 55.952 2.860 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.972 3.628 -3.243 1.00 0.00 H new ATOM 407 N VAL A 28 58.179 1.259 -3.395 1.00 0.00 N ATOM 408 CA VAL A 28 59.504 1.288 -4.069 1.00 0.00 C ATOM 409 C VAL A 28 59.567 0.173 -5.115 1.00 0.00 C ATOM 410 O VAL A 28 59.800 0.416 -6.283 1.00 0.00 O ATOM 411 CB VAL A 28 60.607 1.083 -3.030 1.00 0.00 C ATOM 412 CG1 VAL A 28 61.971 1.124 -3.718 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.532 2.199 -1.984 1.00 0.00 C ATOM 0 H VAL A 28 58.202 1.025 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 28 59.644 2.251 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 28 60.474 0.116 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.757 0.978 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.025 0.333 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.105 2.091 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.317 2.055 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.666 3.165 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.559 2.172 -1.493 1.00 0.00 H new ATOM 423 N ALA A 29 59.355 -1.047 -4.707 1.00 0.00 N ATOM 424 CA ALA A 29 59.395 -2.174 -5.680 1.00 0.00 C ATOM 425 C ALA A 29 58.587 -1.793 -6.919 1.00 0.00 C ATOM 426 O ALA A 29 58.967 -2.085 -8.036 1.00 0.00 O ATOM 427 CB ALA A 29 58.790 -3.426 -5.040 1.00 0.00 C ATOM 0 H ALA A 29 59.156 -1.312 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 29 60.428 -2.378 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.820 -4.250 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.363 -3.694 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.756 -3.227 -4.758 1.00 0.00 H new ATOM 433 N LYS A 30 57.475 -1.133 -6.732 1.00 0.00 N ATOM 434 CA LYS A 30 56.645 -0.726 -7.899 1.00 0.00 C ATOM 435 C LYS A 30 57.489 0.131 -8.844 1.00 0.00 C ATOM 436 O LYS A 30 57.650 -0.185 -10.006 1.00 0.00 O ATOM 437 CB LYS A 30 55.441 0.083 -7.413 1.00 0.00 C ATOM 438 CG LYS A 30 54.284 -0.079 -8.400 1.00 0.00 C ATOM 439 CD LYS A 30 53.728 -1.502 -8.304 1.00 0.00 C ATOM 440 CE LYS A 30 52.202 -1.462 -8.408 1.00 0.00 C ATOM 441 NZ LYS A 30 51.616 -2.498 -7.512 1.00 0.00 N ATOM 0 H LYS A 30 57.107 -0.859 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 30 56.294 -1.614 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.138 -0.256 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.710 1.135 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.500 0.645 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.627 0.121 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 54.141 -2.120 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 30 54.027 -1.958 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.834 -0.475 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.892 -1.639 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.579 -2.471 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.958 -3.438 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 51.901 -2.309 -6.530 1.00 0.00 H new ATOM 455 N LYS A 31 58.034 1.212 -8.355 1.00 0.00 N ATOM 456 CA LYS A 31 58.873 2.078 -9.230 1.00 0.00 C ATOM 457 C LYS A 31 59.855 1.198 -10.002 1.00 0.00 C ATOM 458 O LYS A 31 60.293 1.535 -11.085 1.00 0.00 O ATOM 459 CB LYS A 31 59.647 3.081 -8.370 1.00 0.00 C ATOM 460 CG LYS A 31 58.667 4.048 -7.700 1.00 0.00 C ATOM 461 CD LYS A 31 58.956 5.477 -8.167 1.00 0.00 C ATOM 462 CE LYS A 31 60.395 5.851 -7.809 1.00 0.00 C ATOM 463 NZ LYS A 31 60.461 7.301 -7.469 1.00 0.00 N ATOM 0 H LYS A 31 57.935 1.531 -7.391 1.00 0.00 H new ATOM 0 HA LYS A 31 58.238 2.623 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 60.228 2.554 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.355 3.634 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.642 3.774 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.760 3.983 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.806 5.556 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 58.261 6.172 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 31 60.739 5.253 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 31 61.058 5.632 -8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 61.439 7.556 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.150 7.864 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 59.840 7.496 -6.658 1.00 0.00 H new ATOM 477 N TYR A 32 60.200 0.067 -9.451 1.00 0.00 N ATOM 478 CA TYR A 32 61.149 -0.848 -10.145 1.00 0.00 C ATOM 479 C TYR A 32 60.389 -2.095 -10.618 1.00 0.00 C ATOM 480 O TYR A 32 59.330 -1.992 -11.207 1.00 0.00 O ATOM 481 CB TYR A 32 62.263 -1.248 -9.175 1.00 0.00 C ATOM 482 CG TYR A 32 62.945 -0.007 -8.651 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.843 0.693 -9.463 1.00 0.00 C ATOM 484 CD2 TYR A 32 62.678 0.442 -7.352 1.00 0.00 C ATOM 485 CE1 TYR A 32 64.475 1.843 -8.977 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.311 1.592 -6.866 1.00 0.00 C ATOM 487 CZ TYR A 32 64.209 2.293 -7.678 1.00 0.00 C ATOM 488 OH TYR A 32 64.833 3.427 -7.200 1.00 0.00 O ATOM 0 H TYR A 32 59.864 -0.264 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 32 61.589 -0.347 -11.007 1.00 0.00 H new ATOM 0 HB2 TYR A 32 61.850 -1.825 -8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 32 62.987 -1.888 -9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 32 64.049 0.346 -10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 32 61.984 -0.099 -6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 32 65.168 2.384 -9.604 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.106 1.938 -5.864 1.00 0.00 H new ATOM 0 HH TYR A 32 65.699 3.536 -7.646 1.00 0.00 H new ATOM 498 N ALA A 33 60.912 -3.271 -10.372 1.00 0.00 N ATOM 499 CA ALA A 33 60.211 -4.510 -10.812 1.00 0.00 C ATOM 500 C ALA A 33 60.449 -4.723 -12.302 1.00 0.00 C ATOM 501 O ALA A 33 59.922 -4.015 -13.137 1.00 0.00 O ATOM 502 CB ALA A 33 58.711 -4.382 -10.546 1.00 0.00 C ATOM 0 H ALA A 33 61.795 -3.423 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 33 60.600 -5.361 -10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.205 -5.291 -10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.542 -4.233 -9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.315 -3.530 -11.098 1.00 0.00 H new ATOM 508 N GLY A 34 61.250 -5.691 -12.640 1.00 0.00 N ATOM 509 CA GLY A 34 61.538 -5.951 -14.076 1.00 0.00 C ATOM 510 C GLY A 34 62.834 -5.239 -14.459 1.00 0.00 C ATOM 511 O GLY A 34 63.397 -5.474 -15.508 1.00 0.00 O ATOM 0 H GLY A 34 61.719 -6.315 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.630 -7.022 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.715 -5.595 -14.696 1.00 0.00 H new ATOM 515 N ARG A 35 63.314 -4.369 -13.609 1.00 0.00 N ATOM 516 CA ARG A 35 64.578 -3.644 -13.924 1.00 0.00 C ATOM 517 C ARG A 35 65.773 -4.554 -13.631 1.00 0.00 C ATOM 518 O ARG A 35 66.013 -4.936 -12.503 1.00 0.00 O ATOM 519 CB ARG A 35 64.674 -2.381 -13.065 1.00 0.00 C ATOM 520 CG ARG A 35 65.278 -1.246 -13.896 1.00 0.00 C ATOM 521 CD ARG A 35 64.985 0.094 -13.219 1.00 0.00 C ATOM 522 NE ARG A 35 66.267 0.810 -12.964 1.00 0.00 N ATOM 523 CZ ARG A 35 66.979 1.256 -13.965 1.00 0.00 C ATOM 524 NH1 ARG A 35 66.573 1.076 -15.194 1.00 0.00 N ATOM 525 NH2 ARG A 35 68.101 1.884 -13.735 1.00 0.00 N ATOM 0 H ARG A 35 62.887 -4.131 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 35 64.583 -3.365 -14.978 1.00 0.00 H new ATOM 0 HB2 ARG A 35 63.685 -2.097 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.291 -2.571 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.354 -1.387 -13.996 1.00 0.00 H new ATOM 0 HG3 ARG A 35 64.860 -1.256 -14.903 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.337 0.700 -13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 35 64.453 -0.068 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 35 66.589 0.952 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 35 65.697 0.586 -15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 35 67.132 1.426 -15.972 1.00 0.00 H new ATOM 0 HH21 ARG A 35 68.419 2.025 -12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 35 68.659 2.233 -14.514 1.00 0.00 H new ATOM 539 N LYS A 36 66.523 -4.904 -14.639 1.00 0.00 N ATOM 540 CA LYS A 36 67.701 -5.790 -14.422 1.00 0.00 C ATOM 541 C LYS A 36 68.665 -5.134 -13.432 1.00 0.00 C ATOM 542 O LYS A 36 69.281 -5.797 -12.621 1.00 0.00 O ATOM 543 CB LYS A 36 68.419 -6.017 -15.755 1.00 0.00 C ATOM 544 CG LYS A 36 69.179 -7.344 -15.712 1.00 0.00 C ATOM 545 CD LYS A 36 70.321 -7.309 -16.730 1.00 0.00 C ATOM 546 CE LYS A 36 70.456 -8.680 -17.397 1.00 0.00 C ATOM 547 NZ LYS A 36 71.779 -9.273 -17.054 1.00 0.00 N ATOM 0 H LYS A 36 66.371 -4.614 -15.605 1.00 0.00 H new ATOM 0 HA LYS A 36 67.364 -6.745 -14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.697 -6.027 -16.571 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.110 -5.197 -15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.575 -7.517 -14.711 1.00 0.00 H new ATOM 0 HG3 LYS A 36 68.504 -8.170 -15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 36 70.128 -6.545 -17.483 1.00 0.00 H new ATOM 0 HD3 LYS A 36 71.254 -7.040 -16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 36 69.654 -9.338 -17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 36 70.360 -8.581 -18.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 71.870 -10.204 -17.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 72.538 -8.648 -17.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 71.854 -9.381 -16.022 1.00 0.00 H new ATOM 561 N ASP A 37 68.807 -3.838 -13.493 1.00 0.00 N ATOM 562 CA ASP A 37 69.738 -3.147 -12.558 1.00 0.00 C ATOM 563 C ASP A 37 68.968 -2.650 -11.331 1.00 0.00 C ATOM 564 O ASP A 37 69.222 -1.577 -10.822 1.00 0.00 O ATOM 565 CB ASP A 37 70.385 -1.957 -13.271 1.00 0.00 C ATOM 566 CG ASP A 37 71.896 -2.182 -13.371 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.425 -2.893 -12.532 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.496 -1.640 -14.284 1.00 0.00 O ATOM 0 H ASP A 37 68.319 -3.229 -14.149 1.00 0.00 H new ATOM 0 HA ASP A 37 70.511 -3.846 -12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 37 69.957 -1.840 -14.267 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.179 -1.036 -12.725 1.00 0.00 H new ATOM 573 N ALA A 38 68.035 -3.425 -10.849 1.00 0.00 N ATOM 574 CA ALA A 38 67.257 -2.994 -9.651 1.00 0.00 C ATOM 575 C ALA A 38 68.025 -3.379 -8.385 1.00 0.00 C ATOM 576 O ALA A 38 67.924 -2.730 -7.363 1.00 0.00 O ATOM 577 CB ALA A 38 65.891 -3.680 -9.651 1.00 0.00 C ATOM 0 H ALA A 38 67.778 -4.335 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 38 67.115 -1.914 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.325 -3.363 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.346 -3.405 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 38 66.027 -4.761 -9.624 1.00 0.00 H new ATOM 583 N VAL A 39 68.797 -4.429 -8.448 1.00 0.00 N ATOM 584 CA VAL A 39 69.577 -4.852 -7.252 1.00 0.00 C ATOM 585 C VAL A 39 70.789 -3.932 -7.097 1.00 0.00 C ATOM 586 O VAL A 39 71.140 -3.527 -6.007 1.00 0.00 O ATOM 587 CB VAL A 39 70.047 -6.296 -7.433 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.780 -6.758 -6.173 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.835 -7.198 -7.674 1.00 0.00 C ATOM 0 H VAL A 39 68.921 -5.012 -9.276 1.00 0.00 H new ATOM 0 HA VAL A 39 68.952 -4.788 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 39 70.722 -6.353 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 71.114 -7.787 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.643 -6.116 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 39 70.106 -6.701 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 39 69.168 -8.228 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 39 68.162 -7.139 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.311 -6.871 -8.572 1.00 0.00 H new ATOM 599 N ASP A 40 71.428 -3.594 -8.185 1.00 0.00 N ATOM 600 CA ASP A 40 72.612 -2.693 -8.107 1.00 0.00 C ATOM 601 C ASP A 40 72.136 -1.259 -7.874 1.00 0.00 C ATOM 602 O ASP A 40 72.562 -0.593 -6.952 1.00 0.00 O ATOM 603 CB ASP A 40 73.395 -2.761 -9.421 1.00 0.00 C ATOM 604 CG ASP A 40 74.595 -1.815 -9.352 1.00 0.00 C ATOM 605 OD1 ASP A 40 74.741 -1.146 -8.342 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.347 -1.774 -10.312 1.00 0.00 O ATOM 0 H ASP A 40 71.180 -3.904 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 40 73.256 -3.006 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.733 -3.781 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 40 72.750 -2.486 -10.255 1.00 0.00 H new ATOM 611 N TYR A 41 71.251 -0.781 -8.706 1.00 0.00 N ATOM 612 CA TYR A 41 70.741 0.608 -8.538 1.00 0.00 C ATOM 613 C TYR A 41 70.212 0.790 -7.113 1.00 0.00 C ATOM 614 O TYR A 41 70.428 1.807 -6.486 1.00 0.00 O ATOM 615 CB TYR A 41 69.610 0.856 -9.539 1.00 0.00 C ATOM 616 CG TYR A 41 69.221 2.315 -9.515 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.195 3.303 -9.704 1.00 0.00 C ATOM 618 CD2 TYR A 41 67.885 2.679 -9.307 1.00 0.00 C ATOM 619 CE1 TYR A 41 69.832 4.656 -9.683 1.00 0.00 C ATOM 620 CE2 TYR A 41 67.523 4.031 -9.285 1.00 0.00 C ATOM 621 CZ TYR A 41 68.496 5.020 -9.473 1.00 0.00 C ATOM 622 OH TYR A 41 68.138 6.352 -9.452 1.00 0.00 O ATOM 0 H TYR A 41 70.859 -1.294 -9.496 1.00 0.00 H new ATOM 0 HA TYR A 41 71.549 1.318 -8.717 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.929 0.571 -10.541 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.749 0.236 -9.291 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.225 3.022 -9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.134 1.917 -9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 41 70.583 5.419 -9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 41 66.493 4.311 -9.123 1.00 0.00 H new ATOM 0 HH TYR A 41 68.723 6.838 -8.834 1.00 0.00 H new ATOM 632 N LEU A 42 69.521 -0.190 -6.597 1.00 0.00 N ATOM 633 CA LEU A 42 68.979 -0.071 -5.213 1.00 0.00 C ATOM 634 C LEU A 42 70.133 -0.002 -4.214 1.00 0.00 C ATOM 635 O LEU A 42 70.382 1.024 -3.614 1.00 0.00 O ATOM 636 CB LEU A 42 68.103 -1.285 -4.900 1.00 0.00 C ATOM 637 CG LEU A 42 66.743 -1.124 -5.582 1.00 0.00 C ATOM 638 CD1 LEU A 42 66.022 -2.472 -5.609 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.900 -0.111 -4.802 1.00 0.00 C ATOM 0 H LEU A 42 69.309 -1.067 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 42 68.381 0.837 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.590 -2.197 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.972 -1.384 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 42 66.888 -0.770 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.053 -2.357 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.622 -3.194 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.876 -2.827 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.930 0.005 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.756 -0.467 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.413 0.850 -4.782 1.00 0.00 H new ATOM 651 N ALA A 43 70.832 -1.089 -4.031 1.00 0.00 N ATOM 652 CA ALA A 43 71.975 -1.100 -3.072 1.00 0.00 C ATOM 653 C ALA A 43 72.752 0.211 -3.196 1.00 0.00 C ATOM 654 O ALA A 43 73.345 0.685 -2.246 1.00 0.00 O ATOM 655 CB ALA A 43 72.898 -2.276 -3.394 1.00 0.00 C ATOM 0 H ALA A 43 70.660 -1.975 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 43 71.599 -1.204 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.733 -2.285 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.342 -3.209 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.278 -2.173 -4.411 1.00 0.00 H new ATOM 661 N GLY A 44 72.749 0.804 -4.358 1.00 0.00 N ATOM 662 CA GLY A 44 73.478 2.088 -4.539 1.00 0.00 C ATOM 663 C GLY A 44 72.808 3.168 -3.688 1.00 0.00 C ATOM 664 O GLY A 44 73.400 3.707 -2.776 1.00 0.00 O ATOM 0 H GLY A 44 72.273 0.454 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.522 1.972 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.472 2.379 -5.589 1.00 0.00 H new ATOM 668 N LYS A 45 71.573 3.480 -3.975 1.00 0.00 N ATOM 669 CA LYS A 45 70.860 4.521 -3.178 1.00 0.00 C ATOM 670 C LYS A 45 70.808 4.091 -1.711 1.00 0.00 C ATOM 671 O LYS A 45 70.526 4.880 -0.831 1.00 0.00 O ATOM 672 CB LYS A 45 69.434 4.683 -3.708 1.00 0.00 C ATOM 673 CG LYS A 45 69.473 5.026 -5.198 1.00 0.00 C ATOM 674 CD LYS A 45 68.417 6.089 -5.502 1.00 0.00 C ATOM 675 CE LYS A 45 67.364 5.509 -6.448 1.00 0.00 C ATOM 676 NZ LYS A 45 66.008 5.947 -6.012 1.00 0.00 N ATOM 0 H LYS A 45 71.027 3.059 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 45 71.391 5.469 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 68.871 3.763 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 45 68.918 5.470 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.462 5.392 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 45 69.287 4.132 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 45 67.946 6.423 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 68.886 6.963 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 45 67.554 5.841 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 45 67.423 4.421 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 65.439 6.196 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 65.544 5.174 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 66.094 6.777 -5.392 1.00 0.00 H new ATOM 690 N ILE A 46 71.074 2.843 -1.442 1.00 0.00 N ATOM 691 CA ILE A 46 71.038 2.355 -0.036 1.00 0.00 C ATOM 692 C ILE A 46 72.310 2.800 0.691 1.00 0.00 C ATOM 693 O ILE A 46 72.274 3.202 1.837 1.00 0.00 O ATOM 694 CB ILE A 46 70.942 0.824 -0.041 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.490 0.411 -0.293 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.400 0.260 1.306 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.331 -1.088 -0.030 1.00 0.00 C ATOM 0 H ILE A 46 71.316 2.138 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 46 70.172 2.770 0.481 1.00 0.00 H new ATOM 0 HB ILE A 46 71.585 0.430 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.822 0.977 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.208 0.642 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 71.327 -0.827 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.434 0.551 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.766 0.654 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.297 -1.381 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.988 -1.646 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.595 -1.306 1.005 1.00 0.00 H new ATOM 709 N LYS A 47 73.436 2.728 0.036 1.00 0.00 N ATOM 710 CA LYS A 47 74.708 3.143 0.691 1.00 0.00 C ATOM 711 C LYS A 47 75.114 4.535 0.202 1.00 0.00 C ATOM 712 O LYS A 47 76.184 5.021 0.510 1.00 0.00 O ATOM 713 CB LYS A 47 75.807 2.140 0.340 1.00 0.00 C ATOM 714 CG LYS A 47 76.909 2.198 1.399 1.00 0.00 C ATOM 715 CD LYS A 47 78.215 1.674 0.803 1.00 0.00 C ATOM 716 CE LYS A 47 79.092 1.099 1.917 1.00 0.00 C ATOM 717 NZ LYS A 47 79.323 -0.351 1.667 1.00 0.00 N ATOM 0 H LYS A 47 73.530 2.399 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 47 74.566 3.170 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.392 1.134 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.220 2.367 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 47 77.041 3.223 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.627 1.601 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.005 0.906 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.742 2.479 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.044 1.629 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.609 1.240 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.802 -0.773 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.411 -0.827 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.918 -0.467 0.822 1.00 0.00 H new ATOM 731 N LYS A 48 74.272 5.183 -0.557 1.00 0.00 N ATOM 732 CA LYS A 48 74.621 6.544 -1.058 1.00 0.00 C ATOM 733 C LYS A 48 73.673 7.574 -0.441 1.00 0.00 C ATOM 734 O LYS A 48 74.006 8.735 -0.305 1.00 0.00 O ATOM 735 CB LYS A 48 74.489 6.582 -2.582 1.00 0.00 C ATOM 736 CG LYS A 48 75.881 6.629 -3.214 1.00 0.00 C ATOM 737 CD LYS A 48 76.616 7.883 -2.737 1.00 0.00 C ATOM 738 CE LYS A 48 77.742 7.484 -1.784 1.00 0.00 C ATOM 739 NZ LYS A 48 77.745 8.398 -0.607 1.00 0.00 N ATOM 0 H LYS A 48 73.361 4.831 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 48 75.648 6.778 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 48 73.948 5.703 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 48 73.910 7.454 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.446 5.738 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 75.799 6.634 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.023 8.425 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.921 8.555 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 48 77.607 6.453 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 78.702 7.533 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 78.721 8.534 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.341 9.317 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.174 7.982 0.157 1.00 0.00 H new ATOM 753 N GLY A 49 72.494 7.160 -0.066 1.00 0.00 N ATOM 754 CA GLY A 49 71.527 8.118 0.539 1.00 0.00 C ATOM 755 C GLY A 49 70.594 8.656 -0.547 1.00 0.00 C ATOM 756 O GLY A 49 70.541 8.134 -1.644 1.00 0.00 O ATOM 0 H GLY A 49 72.159 6.201 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.948 7.623 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.062 8.940 1.014 1.00 0.00 H new ATOM 760 N GLY A 50 69.859 9.694 -0.256 1.00 0.00 N ATOM 761 CA GLY A 50 68.933 10.259 -1.279 1.00 0.00 C ATOM 762 C GLY A 50 68.677 11.736 -0.981 1.00 0.00 C ATOM 763 O GLY A 50 69.120 12.264 0.020 1.00 0.00 O ATOM 0 H GLY A 50 69.859 10.175 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.363 10.148 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.992 9.709 -1.275 1.00 0.00 H new ATOM 767 N SER A 51 67.964 12.409 -1.843 1.00 0.00 N ATOM 768 CA SER A 51 67.679 13.853 -1.609 1.00 0.00 C ATOM 769 C SER A 51 67.063 14.463 -2.868 1.00 0.00 C ATOM 770 O SER A 51 67.566 15.426 -3.413 1.00 0.00 O ATOM 771 CB SER A 51 68.982 14.578 -1.280 1.00 0.00 C ATOM 772 OG SER A 51 69.992 14.163 -2.191 1.00 0.00 O ATOM 0 H SER A 51 67.567 12.021 -2.699 1.00 0.00 H new ATOM 0 HA SER A 51 66.982 13.956 -0.778 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.838 15.657 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.286 14.358 -0.257 1.00 0.00 H new ATOM 0 HG SER A 51 70.830 14.627 -1.984 1.00 0.00 H new ATOM 778 N GLY A 52 65.977 13.913 -3.338 1.00 0.00 N ATOM 779 CA GLY A 52 65.332 14.465 -4.563 1.00 0.00 C ATOM 780 C GLY A 52 64.657 13.334 -5.340 1.00 0.00 C ATOM 781 O GLY A 52 63.688 13.543 -6.042 1.00 0.00 O ATOM 0 H GLY A 52 65.509 13.106 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 52 64.597 15.222 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.077 14.956 -5.189 1.00 0.00 H new ATOM 785 N VAL A 53 65.163 12.137 -5.225 1.00 0.00 N ATOM 786 CA VAL A 53 64.547 10.997 -5.961 1.00 0.00 C ATOM 787 C VAL A 53 63.134 10.748 -5.427 1.00 0.00 C ATOM 788 O VAL A 53 62.231 10.412 -6.168 1.00 0.00 O ATOM 789 CB VAL A 53 65.397 9.742 -5.761 1.00 0.00 C ATOM 790 CG1 VAL A 53 64.848 8.612 -6.632 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.844 10.038 -6.164 1.00 0.00 C ATOM 0 H VAL A 53 65.974 11.899 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 53 64.496 11.235 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 53 65.364 9.443 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.453 7.717 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.817 8.402 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.882 8.911 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.451 9.144 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.876 10.336 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.236 10.845 -5.545 1.00 0.00 H new ATOM 801 N TRP A 54 62.934 10.915 -4.148 1.00 0.00 N ATOM 802 CA TRP A 54 61.580 10.690 -3.568 1.00 0.00 C ATOM 803 C TRP A 54 61.061 11.998 -2.968 1.00 0.00 C ATOM 804 O TRP A 54 59.924 12.092 -2.549 1.00 0.00 O ATOM 805 CB TRP A 54 61.660 9.625 -2.474 1.00 0.00 C ATOM 806 CG TRP A 54 61.666 8.267 -3.100 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.777 7.584 -3.458 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.533 7.417 -3.446 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.400 6.369 -4.001 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.027 6.220 -4.015 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.140 7.568 -3.320 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.168 5.208 -4.447 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.274 6.551 -3.754 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.787 5.373 -4.316 1.00 0.00 C ATOM 0 H TRP A 54 63.651 11.198 -3.479 1.00 0.00 H new ATOM 0 HA TRP A 54 60.902 10.352 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.562 9.767 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.812 9.721 -1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.793 7.931 -3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.056 5.669 -4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.734 8.471 -2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.569 4.303 -4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.206 6.677 -3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.115 4.595 -4.647 1.00 0.00 H new ATOM 825 N GLY A 55 61.884 13.009 -2.922 1.00 0.00 N ATOM 826 CA GLY A 55 61.436 14.309 -2.348 1.00 0.00 C ATOM 827 C GLY A 55 62.658 15.130 -1.935 1.00 0.00 C ATOM 828 O GLY A 55 63.785 14.717 -2.121 1.00 0.00 O ATOM 0 H GLY A 55 62.847 12.991 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.846 14.859 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.792 14.136 -1.486 1.00 0.00 H new ATOM 832 N SER A 56 62.444 16.288 -1.375 1.00 0.00 N ATOM 833 CA SER A 56 63.595 17.134 -0.952 1.00 0.00 C ATOM 834 C SER A 56 64.269 16.505 0.270 1.00 0.00 C ATOM 835 O SER A 56 65.452 16.668 0.489 1.00 0.00 O ATOM 836 CB SER A 56 63.095 18.533 -0.595 1.00 0.00 C ATOM 837 OG SER A 56 61.961 18.423 0.256 1.00 0.00 O ATOM 0 H SER A 56 61.522 16.685 -1.192 1.00 0.00 H new ATOM 0 HA SER A 56 64.314 17.203 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.884 19.098 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 62.833 19.080 -1.500 1.00 0.00 H new ATOM 0 HG SER A 56 61.638 19.319 0.489 1.00 0.00 H new ATOM 843 N VAL A 57 63.526 15.788 1.067 1.00 0.00 N ATOM 844 CA VAL A 57 64.122 15.150 2.274 1.00 0.00 C ATOM 845 C VAL A 57 65.392 14.384 1.879 1.00 0.00 C ATOM 846 O VAL A 57 65.311 13.336 1.268 1.00 0.00 O ATOM 847 CB VAL A 57 63.112 14.174 2.878 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.743 13.459 4.074 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.873 14.945 3.339 1.00 0.00 C ATOM 0 H VAL A 57 62.529 15.616 0.934 1.00 0.00 H new ATOM 0 HA VAL A 57 64.375 15.919 3.004 1.00 0.00 H new ATOM 0 HB VAL A 57 62.824 13.438 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.022 12.763 4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.626 12.910 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 57 64.032 14.193 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.152 14.251 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.161 15.681 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.423 15.453 2.486 1.00 0.00 H new ATOM 859 N PRO A 58 66.531 14.924 2.242 1.00 0.00 N ATOM 860 CA PRO A 58 67.833 14.303 1.938 1.00 0.00 C ATOM 861 C PRO A 58 68.108 13.142 2.898 1.00 0.00 C ATOM 862 O PRO A 58 68.451 13.341 4.047 1.00 0.00 O ATOM 863 CB PRO A 58 68.835 15.441 2.152 1.00 0.00 C ATOM 864 CG PRO A 58 68.145 16.458 3.093 1.00 0.00 C ATOM 865 CD PRO A 58 66.630 16.199 2.984 1.00 0.00 C ATOM 0 HA PRO A 58 67.884 13.883 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.759 15.067 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.101 15.908 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 58 68.487 16.330 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 58 68.385 17.481 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 58 66.167 16.124 3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.125 17.007 2.455 1.00 0.00 H new ATOM 873 N MET A 59 67.960 11.931 2.435 1.00 0.00 N ATOM 874 CA MET A 59 68.214 10.759 3.321 1.00 0.00 C ATOM 875 C MET A 59 69.714 10.667 3.615 1.00 0.00 C ATOM 876 O MET A 59 70.527 10.878 2.736 1.00 0.00 O ATOM 877 CB MET A 59 67.749 9.482 2.615 1.00 0.00 C ATOM 878 CG MET A 59 68.211 8.257 3.408 1.00 0.00 C ATOM 879 SD MET A 59 68.069 6.781 2.371 1.00 0.00 S ATOM 880 CE MET A 59 69.133 5.704 3.362 1.00 0.00 C ATOM 0 H MET A 59 67.675 11.702 1.483 1.00 0.00 H new ATOM 0 HA MET A 59 67.666 10.876 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.663 9.480 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.153 9.446 1.603 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.243 8.389 3.733 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.606 8.143 4.307 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.036 4.676 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.170 6.025 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.835 5.761 4.409 1.00 0.00 H new ATOM 890 N PRO A 60 70.040 10.353 4.845 1.00 0.00 N ATOM 891 CA PRO A 60 71.440 10.229 5.285 1.00 0.00 C ATOM 892 C PRO A 60 72.013 8.873 4.858 1.00 0.00 C ATOM 893 O PRO A 60 71.273 7.960 4.548 1.00 0.00 O ATOM 894 CB PRO A 60 71.346 10.323 6.811 1.00 0.00 C ATOM 895 CG PRO A 60 69.897 9.927 7.184 1.00 0.00 C ATOM 896 CD PRO A 60 69.049 10.095 5.909 1.00 0.00 C ATOM 0 HA PRO A 60 72.095 10.987 4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 60 72.066 9.656 7.286 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.573 11.333 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.857 8.898 7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.518 10.559 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.464 9.200 5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.344 10.921 6.006 1.00 0.00 H new ATOM 904 N PRO A 61 73.319 8.785 4.861 1.00 0.00 N ATOM 905 CA PRO A 61 74.032 7.553 4.483 1.00 0.00 C ATOM 906 C PRO A 61 73.998 6.551 5.639 1.00 0.00 C ATOM 907 O PRO A 61 74.306 6.881 6.768 1.00 0.00 O ATOM 908 CB PRO A 61 75.462 8.036 4.215 1.00 0.00 C ATOM 909 CG PRO A 61 75.624 9.368 4.987 1.00 0.00 C ATOM 910 CD PRO A 61 74.203 9.905 5.240 1.00 0.00 C ATOM 0 HA PRO A 61 73.595 7.044 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.191 7.300 4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.629 8.183 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.151 9.209 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.211 10.082 4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.064 10.186 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 61 74.000 10.793 4.641 1.00 0.00 H new ATOM 918 N GLN A 62 73.622 5.331 5.373 1.00 0.00 N ATOM 919 CA GLN A 62 73.565 4.316 6.463 1.00 0.00 C ATOM 920 C GLN A 62 74.883 3.541 6.511 1.00 0.00 C ATOM 921 O GLN A 62 75.654 3.550 5.574 1.00 0.00 O ATOM 922 CB GLN A 62 72.413 3.346 6.195 1.00 0.00 C ATOM 923 CG GLN A 62 71.153 4.139 5.837 1.00 0.00 C ATOM 924 CD GLN A 62 70.614 4.831 7.089 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.409 4.199 8.106 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.375 6.114 7.059 1.00 0.00 N ATOM 0 H GLN A 62 73.352 4.993 4.449 1.00 0.00 H new ATOM 0 HA GLN A 62 73.405 4.817 7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.674 2.670 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.230 2.729 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.382 4.879 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.396 3.473 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.547 6.645 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.016 6.585 7.889 1.00 0.00 H new ATOM 935 N ASN A 63 75.147 2.871 7.600 1.00 0.00 N ATOM 936 CA ASN A 63 76.413 2.096 7.705 1.00 0.00 C ATOM 937 C ASN A 63 76.143 0.629 7.366 1.00 0.00 C ATOM 938 O ASN A 63 75.820 -0.169 8.223 1.00 0.00 O ATOM 939 CB ASN A 63 76.957 2.200 9.131 1.00 0.00 C ATOM 940 CG ASN A 63 77.793 3.474 9.267 1.00 0.00 C ATOM 941 OD1 ASN A 63 77.489 4.482 8.660 1.00 0.00 O ATOM 942 ND2 ASN A 63 78.843 3.472 10.043 1.00 0.00 N ATOM 0 H ASN A 63 74.541 2.828 8.419 1.00 0.00 H new ATOM 0 HA ASN A 63 77.146 2.500 7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.134 2.215 9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 63 77.566 1.326 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 63 79.407 4.316 10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 63 79.099 2.626 10.553 1.00 0.00 H new ATOM 949 N VAL A 64 76.271 0.268 6.119 1.00 0.00 N ATOM 950 CA VAL A 64 76.021 -1.146 5.720 1.00 0.00 C ATOM 951 C VAL A 64 77.035 -1.560 4.655 1.00 0.00 C ATOM 952 O VAL A 64 77.900 -0.796 4.274 1.00 0.00 O ATOM 953 CB VAL A 64 74.610 -1.275 5.144 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.608 -1.467 6.283 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.260 -0.003 4.368 1.00 0.00 C ATOM 0 H VAL A 64 76.538 0.892 5.358 1.00 0.00 H new ATOM 0 HA VAL A 64 76.120 -1.790 6.594 1.00 0.00 H new ATOM 0 HB VAL A 64 74.568 -2.135 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.603 -1.559 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.857 -2.371 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.649 -0.608 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.255 -0.093 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.302 0.855 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.973 0.136 3.556 1.00 0.00 H new ATOM 965 N THR A 65 76.928 -2.763 4.165 1.00 0.00 N ATOM 966 CA THR A 65 77.875 -3.228 3.117 1.00 0.00 C ATOM 967 C THR A 65 77.077 -3.677 1.894 1.00 0.00 C ATOM 968 O THR A 65 75.864 -3.605 1.873 1.00 0.00 O ATOM 969 CB THR A 65 78.698 -4.404 3.648 1.00 0.00 C ATOM 970 OG1 THR A 65 78.495 -4.528 5.048 1.00 0.00 O ATOM 971 CG2 THR A 65 80.181 -4.161 3.365 1.00 0.00 C ATOM 0 H THR A 65 76.224 -3.445 4.446 1.00 0.00 H new ATOM 0 HA THR A 65 78.549 -2.415 2.845 1.00 0.00 H new ATOM 0 HB THR A 65 78.382 -5.322 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 65 79.020 -5.282 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.766 -4.999 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.336 -4.067 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.500 -3.243 3.859 1.00 0.00 H new ATOM 979 N ASP A 66 77.742 -4.139 0.875 1.00 0.00 N ATOM 980 CA ASP A 66 77.013 -4.589 -0.338 1.00 0.00 C ATOM 981 C ASP A 66 76.239 -5.868 -0.019 1.00 0.00 C ATOM 982 O ASP A 66 75.350 -6.261 -0.745 1.00 0.00 O ATOM 983 CB ASP A 66 78.012 -4.859 -1.464 1.00 0.00 C ATOM 984 CG ASP A 66 78.587 -3.532 -1.962 1.00 0.00 C ATOM 985 OD1 ASP A 66 79.373 -2.941 -1.239 1.00 0.00 O ATOM 986 OD2 ASP A 66 78.231 -3.127 -3.057 1.00 0.00 O ATOM 0 H ASP A 66 78.757 -4.224 0.830 1.00 0.00 H new ATOM 0 HA ASP A 66 76.316 -3.813 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 66 78.814 -5.504 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 66 77.521 -5.385 -2.283 1.00 0.00 H new ATOM 991 N ALA A 67 76.565 -6.516 1.066 1.00 0.00 N ATOM 992 CA ALA A 67 75.841 -7.764 1.432 1.00 0.00 C ATOM 993 C ALA A 67 74.460 -7.398 1.980 1.00 0.00 C ATOM 994 O ALA A 67 73.442 -7.808 1.455 1.00 0.00 O ATOM 995 CB ALA A 67 76.632 -8.517 2.502 1.00 0.00 C ATOM 0 H ALA A 67 77.301 -6.235 1.714 1.00 0.00 H new ATOM 0 HA ALA A 67 75.731 -8.398 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.102 -9.431 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.619 -8.770 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.740 -7.887 3.385 1.00 0.00 H new ATOM 1001 N GLU A 68 74.417 -6.626 3.032 1.00 0.00 N ATOM 1002 CA GLU A 68 73.107 -6.228 3.616 1.00 0.00 C ATOM 1003 C GLU A 68 72.306 -5.440 2.581 1.00 0.00 C ATOM 1004 O GLU A 68 71.103 -5.583 2.474 1.00 0.00 O ATOM 1005 CB GLU A 68 73.343 -5.357 4.852 1.00 0.00 C ATOM 1006 CG GLU A 68 74.283 -6.085 5.817 1.00 0.00 C ATOM 1007 CD GLU A 68 73.560 -6.340 7.140 1.00 0.00 C ATOM 1008 OE1 GLU A 68 72.853 -5.452 7.587 1.00 0.00 O ATOM 1009 OE2 GLU A 68 73.723 -7.420 7.683 1.00 0.00 O ATOM 0 H GLU A 68 75.236 -6.253 3.513 1.00 0.00 H new ATOM 0 HA GLU A 68 72.550 -7.120 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 73.775 -4.400 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.395 -5.141 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.609 -7.029 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.178 -5.488 5.989 1.00 0.00 H new ATOM 1016 N ALA A 69 72.959 -4.609 1.818 1.00 0.00 N ATOM 1017 CA ALA A 69 72.227 -3.816 0.792 1.00 0.00 C ATOM 1018 C ALA A 69 71.711 -4.751 -0.305 1.00 0.00 C ATOM 1019 O ALA A 69 70.710 -4.484 -0.941 1.00 0.00 O ATOM 1020 CB ALA A 69 73.172 -2.777 0.181 1.00 0.00 C ATOM 0 H ALA A 69 73.965 -4.445 1.860 1.00 0.00 H new ATOM 0 HA ALA A 69 71.383 -3.308 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.637 -2.196 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.536 -2.111 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.017 -3.284 -0.286 1.00 0.00 H new ATOM 1026 N LYS A 70 72.387 -5.844 -0.536 1.00 0.00 N ATOM 1027 CA LYS A 70 71.935 -6.789 -1.595 1.00 0.00 C ATOM 1028 C LYS A 70 70.666 -7.511 -1.140 1.00 0.00 C ATOM 1029 O LYS A 70 69.719 -7.643 -1.887 1.00 0.00 O ATOM 1030 CB LYS A 70 73.031 -7.821 -1.872 1.00 0.00 C ATOM 1031 CG LYS A 70 73.492 -7.699 -3.327 1.00 0.00 C ATOM 1032 CD LYS A 70 74.571 -8.746 -3.611 1.00 0.00 C ATOM 1033 CE LYS A 70 74.088 -9.699 -4.708 1.00 0.00 C ATOM 1034 NZ LYS A 70 75.089 -9.733 -5.812 1.00 0.00 N ATOM 0 H LYS A 70 73.232 -6.122 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 70 71.726 -6.226 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.873 -7.663 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.655 -8.826 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.647 -7.841 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 73.883 -6.699 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 70 75.494 -8.256 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 74.797 -9.305 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 70 73.947 -10.700 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 70 73.121 -9.371 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 74.762 -10.380 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 75.202 -8.778 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 76.003 -10.065 -5.442 1.00 0.00 H new ATOM 1048 N GLN A 71 70.639 -7.986 0.076 1.00 0.00 N ATOM 1049 CA GLN A 71 69.430 -8.702 0.564 1.00 0.00 C ATOM 1050 C GLN A 71 68.316 -7.692 0.843 1.00 0.00 C ATOM 1051 O GLN A 71 67.151 -8.028 0.848 1.00 0.00 O ATOM 1052 CB GLN A 71 69.778 -9.494 1.838 1.00 0.00 C ATOM 1053 CG GLN A 71 69.542 -8.640 3.091 1.00 0.00 C ATOM 1054 CD GLN A 71 68.175 -8.983 3.690 1.00 0.00 C ATOM 1055 OE1 GLN A 71 68.002 -10.037 4.270 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.189 -8.134 3.573 1.00 0.00 N ATOM 0 H GLN A 71 71.401 -7.909 0.750 1.00 0.00 H new ATOM 0 HA GLN A 71 69.084 -9.402 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 71 69.170 -10.397 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.820 -9.813 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.329 -8.823 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.584 -7.581 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.333 -7.249 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.275 -8.356 3.968 1.00 0.00 H new ATOM 1065 N LEU A 72 68.664 -6.458 1.071 1.00 0.00 N ATOM 1066 CA LEU A 72 67.620 -5.437 1.343 1.00 0.00 C ATOM 1067 C LEU A 72 67.007 -4.986 0.017 1.00 0.00 C ATOM 1068 O LEU A 72 65.882 -4.530 -0.036 1.00 0.00 O ATOM 1069 CB LEU A 72 68.245 -4.242 2.063 1.00 0.00 C ATOM 1070 CG LEU A 72 68.442 -4.584 3.540 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.322 -3.522 4.200 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.079 -4.624 4.238 1.00 0.00 C ATOM 0 H LEU A 72 69.624 -6.114 1.081 1.00 0.00 H new ATOM 0 HA LEU A 72 66.842 -5.863 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.202 -3.988 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.603 -3.367 1.964 1.00 0.00 H new ATOM 0 HG LEU A 72 68.925 -5.557 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.461 -3.768 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.292 -3.493 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 72 68.841 -2.547 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.217 -4.868 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.597 -3.650 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.452 -5.383 3.769 1.00 0.00 H new ATOM 1084 N ALA A 73 67.734 -5.125 -1.059 1.00 0.00 N ATOM 1085 CA ALA A 73 67.185 -4.720 -2.382 1.00 0.00 C ATOM 1086 C ALA A 73 66.401 -5.893 -2.967 1.00 0.00 C ATOM 1087 O ALA A 73 65.349 -5.721 -3.549 1.00 0.00 O ATOM 1088 CB ALA A 73 68.332 -4.346 -3.323 1.00 0.00 C ATOM 0 H ALA A 73 68.682 -5.501 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 73 66.529 -3.858 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.927 -4.050 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.897 -3.517 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.991 -5.205 -3.453 1.00 0.00 H new ATOM 1094 N GLN A 74 66.897 -7.087 -2.801 1.00 0.00 N ATOM 1095 CA GLN A 74 66.170 -8.272 -3.330 1.00 0.00 C ATOM 1096 C GLN A 74 64.969 -8.541 -2.426 1.00 0.00 C ATOM 1097 O GLN A 74 63.940 -9.015 -2.862 1.00 0.00 O ATOM 1098 CB GLN A 74 67.100 -9.489 -3.330 1.00 0.00 C ATOM 1099 CG GLN A 74 67.667 -9.698 -4.735 1.00 0.00 C ATOM 1100 CD GLN A 74 68.558 -10.940 -4.748 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.071 -12.053 -4.784 1.00 0.00 O ATOM 1102 NE2 GLN A 74 69.856 -10.798 -4.720 1.00 0.00 N ATOM 0 H GLN A 74 67.774 -7.293 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 74 65.837 -8.085 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.911 -9.340 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.554 -10.377 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.855 -9.813 -5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.241 -8.823 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 74 70.266 -9.865 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 74 70.459 -11.620 -4.728 1.00 0.00 H new ATOM 1111 N TRP A 75 65.096 -8.229 -1.164 1.00 0.00 N ATOM 1112 CA TRP A 75 63.965 -8.453 -0.220 1.00 0.00 C ATOM 1113 C TRP A 75 62.902 -7.370 -0.439 1.00 0.00 C ATOM 1114 O TRP A 75 61.727 -7.657 -0.551 1.00 0.00 O ATOM 1115 CB TRP A 75 64.489 -8.387 1.219 1.00 0.00 C ATOM 1116 CG TRP A 75 63.350 -8.205 2.171 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.264 -9.008 2.251 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.166 -7.167 3.176 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.426 -8.529 3.242 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.939 -7.394 3.841 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.939 -6.061 3.568 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.495 -6.553 4.863 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.496 -5.211 4.596 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.276 -5.458 5.242 1.00 0.00 C ATOM 0 H TRP A 75 65.936 -7.828 -0.746 1.00 0.00 H new ATOM 0 HA TRP A 75 63.521 -9.433 -0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.032 -9.301 1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.194 -7.562 1.320 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.081 -9.880 1.641 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.538 -8.961 3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.880 -5.863 3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.555 -6.747 5.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.098 -4.364 4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 75 61.940 -4.802 6.032 1.00 0.00 H new ATOM 1135 N ILE A 76 63.301 -6.126 -0.498 1.00 0.00 N ATOM 1136 CA ILE A 76 62.305 -5.035 -0.705 1.00 0.00 C ATOM 1137 C ILE A 76 61.643 -5.196 -2.077 1.00 0.00 C ATOM 1138 O ILE A 76 60.460 -4.971 -2.235 1.00 0.00 O ATOM 1139 CB ILE A 76 63.009 -3.678 -0.633 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.413 -3.387 0.815 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.060 -2.583 -1.124 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.375 -2.198 0.848 1.00 0.00 C ATOM 0 H ILE A 76 64.270 -5.820 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 76 61.543 -5.090 0.073 1.00 0.00 H new ATOM 0 HB ILE A 76 63.899 -3.699 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.528 -3.169 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.887 -4.264 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.562 -1.617 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.771 -2.787 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.170 -2.564 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.662 -1.991 1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.264 -2.433 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.884 -1.321 0.425 1.00 0.00 H new ATOM 1154 N LEU A 77 62.396 -5.581 -3.073 1.00 0.00 N ATOM 1155 CA LEU A 77 61.803 -5.751 -4.431 1.00 0.00 C ATOM 1156 C LEU A 77 60.798 -6.907 -4.414 1.00 0.00 C ATOM 1157 O LEU A 77 59.707 -6.799 -4.936 1.00 0.00 O ATOM 1158 CB LEU A 77 62.913 -6.061 -5.439 1.00 0.00 C ATOM 1159 CG LEU A 77 63.716 -4.791 -5.728 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.908 -5.132 -6.625 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.822 -3.773 -6.439 1.00 0.00 C ATOM 0 H LEU A 77 63.393 -5.785 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 77 61.294 -4.831 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.570 -6.836 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.482 -6.448 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 77 64.075 -4.369 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.479 -4.227 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.546 -5.858 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.548 -5.555 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.394 -2.868 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.463 -4.197 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.972 -3.528 -5.802 1.00 0.00 H new ATOM 1173 N SER A 78 61.160 -8.012 -3.821 1.00 0.00 N ATOM 1174 CA SER A 78 60.226 -9.174 -3.776 1.00 0.00 C ATOM 1175 C SER A 78 58.925 -8.761 -3.085 1.00 0.00 C ATOM 1176 O SER A 78 57.896 -9.384 -3.255 1.00 0.00 O ATOM 1177 CB SER A 78 60.871 -10.319 -2.996 1.00 0.00 C ATOM 1178 OG SER A 78 60.617 -11.546 -3.670 1.00 0.00 O ATOM 0 H SER A 78 62.061 -8.161 -3.366 1.00 0.00 H new ATOM 0 HA SER A 78 60.010 -9.501 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.945 -10.155 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.469 -10.357 -1.983 1.00 0.00 H new ATOM 0 HG SER A 78 61.030 -12.283 -3.174 1.00 0.00 H new ATOM 1184 N ILE A 79 58.962 -7.716 -2.305 1.00 0.00 N ATOM 1185 CA ILE A 79 57.727 -7.267 -1.604 1.00 0.00 C ATOM 1186 C ILE A 79 56.869 -6.439 -2.564 1.00 0.00 C ATOM 1187 O ILE A 79 57.176 -5.302 -2.865 1.00 0.00 O ATOM 1188 CB ILE A 79 58.114 -6.419 -0.387 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.612 -7.337 0.731 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.896 -5.634 0.108 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.106 -6.491 1.905 1.00 0.00 C ATOM 0 H ILE A 79 59.794 -7.154 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 79 57.157 -8.134 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 79 58.901 -5.721 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 79 57.809 -7.998 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.418 -7.972 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.177 -5.033 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.537 -4.980 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.105 -6.329 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.461 -7.145 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 79 59.922 -5.849 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.288 -5.875 2.279 1.00 0.00 H new ATOM 1203 N LYS A 80 55.794 -7.000 -3.048 1.00 0.00 N ATOM 1204 CA LYS A 80 54.916 -6.247 -3.987 1.00 0.00 C ATOM 1205 C LYS A 80 54.497 -4.924 -3.341 1.00 0.00 C ATOM 1206 O LYS A 80 54.332 -4.904 -2.132 1.00 0.00 O ATOM 1207 CB LYS A 80 53.671 -7.080 -4.299 1.00 0.00 C ATOM 1208 CG LYS A 80 53.253 -6.855 -5.755 1.00 0.00 C ATOM 1209 CD LYS A 80 53.525 -8.123 -6.568 1.00 0.00 C ATOM 1210 CE LYS A 80 52.197 -8.748 -6.996 1.00 0.00 C ATOM 1211 NZ LYS A 80 51.390 -9.076 -5.787 1.00 0.00 N ATOM 1212 OXT LYS A 80 54.349 -3.954 -4.067 1.00 0.00 O ATOM 0 H LYS A 80 55.486 -7.948 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 80 55.458 -6.045 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.876 -8.137 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 80 52.857 -6.801 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 80 52.195 -6.599 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 80 53.805 -6.015 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 54.126 -7.884 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 80 54.099 -8.834 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 80 51.648 -8.058 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.379 -9.650 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 50.738 -9.856 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 52.024 -9.361 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 50.844 -8.240 -5.497 1.00 0.00 H new