USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 40:sc= -3.42! USER MOD Set 1.2: A 45 TYR OH : rot 57:sc= -0.653 USER MOD Single : A 2 THR OG1 : rot 21:sc= 0.324 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -147:sc= -0.0827 (180deg=-0.623) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.506 (180deg=-1.48!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 110:sc= -0.989 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.0233 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.437 -13.657 -0.581 1.00 0.00 N ATOM 18 CA THR A 2 4.948 -12.364 -1.026 1.00 0.00 C ATOM 19 C THR A 2 3.822 -11.485 -1.569 1.00 0.00 C ATOM 20 O THR A 2 2.986 -11.953 -2.344 1.00 0.00 O ATOM 21 CB THR A 2 6.021 -12.561 -2.099 1.00 0.00 C ATOM 22 OG1 THR A 2 6.906 -13.604 -1.738 1.00 0.00 O ATOM 23 CG2 THR A 2 6.852 -11.317 -2.345 1.00 0.00 C ATOM 0 HA THR A 2 5.389 -11.861 -0.166 1.00 0.00 H new ATOM 0 HB THR A 2 5.478 -12.805 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.476 -14.183 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.594 -11.522 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.203 -10.505 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.357 -11.028 -1.423 1.00 0.00 H new ATOM 31 N TYR A 3 3.816 -10.228 -1.160 1.00 0.00 N ATOM 32 CA TYR A 3 2.796 -9.285 -1.605 1.00 0.00 C ATOM 33 C TYR A 3 3.391 -8.240 -2.544 1.00 0.00 C ATOM 34 O TYR A 3 4.599 -7.999 -2.531 1.00 0.00 O ATOM 35 CB TYR A 3 2.161 -8.583 -0.408 1.00 0.00 C ATOM 36 CG TYR A 3 0.992 -9.319 0.202 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.911 -10.706 0.170 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.033 -8.614 0.813 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.163 -11.368 0.731 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.111 -9.268 1.378 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.171 -10.646 1.335 1.00 0.00 C ATOM 42 OH TYR A 3 -2.243 -11.302 1.895 1.00 0.00 O ATOM 0 H TYR A 3 4.505 -9.833 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 3 2.034 -9.850 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.923 -8.438 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.828 -7.592 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.700 -11.274 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.012 -7.535 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.214 -12.446 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.902 -8.704 1.850 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.929 -12.109 2.353 1.00 0.00 H new ATOM 52 N LYS A 4 2.534 -7.617 -3.350 1.00 0.00 N ATOM 53 CA LYS A 4 2.974 -6.593 -4.294 1.00 0.00 C ATOM 54 C LYS A 4 2.096 -5.346 -4.209 1.00 0.00 C ATOM 55 O LYS A 4 0.871 -5.438 -4.137 1.00 0.00 O ATOM 56 CB LYS A 4 2.956 -7.144 -5.720 1.00 0.00 C ATOM 57 CG LYS A 4 4.261 -7.808 -6.132 1.00 0.00 C ATOM 58 CD LYS A 4 4.793 -7.234 -7.437 1.00 0.00 C ATOM 59 CE LYS A 4 5.989 -8.024 -7.945 1.00 0.00 C ATOM 60 NZ LYS A 4 6.891 -7.187 -8.784 1.00 0.00 N ATOM 0 H LYS A 4 1.531 -7.803 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 4 3.993 -6.312 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.145 -7.867 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.737 -6.331 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.003 -7.673 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.105 -8.881 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.004 -7.243 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.080 -6.193 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.547 -8.423 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.640 -8.877 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.694 -7.762 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.366 -6.827 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.245 -6.387 -8.222 1.00 0.00 H new ATOM 74 N LEU A 5 2.734 -4.180 -4.218 1.00 0.00 N ATOM 75 CA LEU A 5 2.022 -2.908 -4.145 1.00 0.00 C ATOM 76 C LEU A 5 2.292 -2.052 -5.362 1.00 0.00 C ATOM 77 O LEU A 5 3.414 -2.002 -5.865 1.00 0.00 O ATOM 78 CB LEU A 5 2.446 -2.086 -2.926 1.00 0.00 C ATOM 79 CG LEU A 5 1.576 -0.852 -2.652 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.100 -1.208 -2.665 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.960 -0.203 -1.330 1.00 0.00 C ATOM 0 H LEU A 5 3.748 -4.089 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 5 0.965 -3.168 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.428 -2.729 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.478 -1.763 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 5 1.755 -0.134 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.492 -0.314 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.168 -1.613 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.101 -1.953 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.330 0.670 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.820 -0.918 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.005 0.105 -1.366 1.00 0.00 H new ATOM 93 N ILE A 6 1.273 -1.334 -5.793 1.00 0.00 N ATOM 94 CA ILE A 6 1.420 -0.429 -6.906 1.00 0.00 C ATOM 95 C ILE A 6 0.697 0.873 -6.595 1.00 0.00 C ATOM 96 O ILE A 6 -0.520 0.889 -6.415 1.00 0.00 O ATOM 97 CB ILE A 6 0.874 -1.028 -8.216 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.467 -2.417 -8.454 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.180 -0.108 -9.389 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.973 -2.416 -8.596 1.00 0.00 C ATOM 0 H ILE A 6 0.338 -1.363 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 6 2.485 -0.245 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.208 -1.125 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.189 -3.068 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.026 -2.842 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.788 -0.546 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.713 0.863 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.259 0.019 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.323 -3.435 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.258 -1.791 -9.442 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.424 -2.021 -7.686 1.00 0.00 H new ATOM 112 N LEU A 7 1.453 1.960 -6.512 1.00 0.00 N ATOM 113 CA LEU A 7 0.874 3.258 -6.196 1.00 0.00 C ATOM 114 C LEU A 7 0.660 4.087 -7.451 1.00 0.00 C ATOM 115 O LEU A 7 1.531 4.159 -8.318 1.00 0.00 O ATOM 116 CB LEU A 7 1.764 4.018 -5.214 1.00 0.00 C ATOM 117 CG LEU A 7 2.019 3.303 -3.886 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.211 2.366 -4.003 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.241 4.315 -2.771 1.00 0.00 C ATOM 0 H LEU A 7 2.462 1.969 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.097 3.083 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.723 4.215 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.307 4.986 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 7 1.139 2.708 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.376 1.867 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.013 1.620 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.099 2.938 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.421 3.789 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.104 4.936 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.357 4.945 -2.670 1.00 0.00 H new ATOM 131 N ASN A 8 -0.504 4.715 -7.535 1.00 0.00 N ATOM 132 CA ASN A 8 -0.840 5.551 -8.684 1.00 0.00 C ATOM 133 C ASN A 8 -1.319 6.925 -8.231 1.00 0.00 C ATOM 134 O ASN A 8 -2.511 7.136 -8.003 1.00 0.00 O ATOM 135 CB ASN A 8 -1.910 4.872 -9.543 1.00 0.00 C ATOM 136 CG ASN A 8 -1.339 4.282 -10.817 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.350 3.549 -10.786 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.959 4.601 -11.947 1.00 0.00 N ATOM 0 H ASN A 8 -1.233 4.663 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 8 0.060 5.683 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.390 4.083 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.683 5.597 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.619 4.235 -12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.775 5.212 -11.926 1.00 0.00 H new ATOM 145 N LEU A 9 -0.380 7.858 -8.098 1.00 0.00 N ATOM 146 CA LEU A 9 -0.706 9.216 -7.666 1.00 0.00 C ATOM 147 C LEU A 9 -0.580 10.202 -8.825 1.00 0.00 C ATOM 148 O LEU A 9 0.208 11.147 -8.768 1.00 0.00 O ATOM 149 CB LEU A 9 0.215 9.649 -6.502 1.00 0.00 C ATOM 150 CG LEU A 9 0.302 8.653 -5.344 1.00 0.00 C ATOM 151 CD1 LEU A 9 -1.089 8.272 -4.859 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.082 7.415 -5.760 1.00 0.00 C ATOM 0 H LEU A 9 0.611 7.700 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.740 9.220 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.218 9.816 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.139 10.604 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 9 0.832 9.131 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.006 7.563 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.613 9.165 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.647 7.815 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.133 6.719 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.582 6.935 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.091 7.703 -6.054 1.00 0.00 H new ATOM 213 N LYS A 13 4.161 6.447 -10.336 1.00 0.00 N ATOM 214 CA LYS A 13 4.108 5.004 -10.102 1.00 0.00 C ATOM 215 C LYS A 13 5.147 4.584 -9.071 1.00 0.00 C ATOM 216 O LYS A 13 6.302 5.007 -9.122 1.00 0.00 O ATOM 217 CB LYS A 13 4.356 4.251 -11.428 1.00 0.00 C ATOM 218 CG LYS A 13 5.660 4.631 -12.100 1.00 0.00 C ATOM 219 CD LYS A 13 5.455 5.730 -13.133 1.00 0.00 C ATOM 220 CE LYS A 13 4.856 5.183 -14.419 1.00 0.00 C ATOM 221 NZ LYS A 13 4.614 6.259 -15.422 1.00 0.00 N ATOM 0 HA LYS A 13 3.119 4.753 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.355 3.178 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.531 4.452 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.374 4.966 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.092 3.754 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.799 6.498 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.410 6.209 -13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.527 4.436 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.917 4.677 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.205 5.845 -16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.954 6.959 -15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.514 6.725 -15.655 1.00 0.00 H new ATOM 235 N GLU A 14 4.726 3.742 -8.136 1.00 0.00 N ATOM 236 CA GLU A 14 5.614 3.252 -7.088 1.00 0.00 C ATOM 237 C GLU A 14 5.353 1.774 -6.813 1.00 0.00 C ATOM 238 O GLU A 14 4.272 1.261 -7.105 1.00 0.00 O ATOM 239 CB GLU A 14 5.431 4.071 -5.807 1.00 0.00 C ATOM 240 CG GLU A 14 6.640 4.923 -5.455 1.00 0.00 C ATOM 241 CD GLU A 14 7.768 4.114 -4.849 1.00 0.00 C ATOM 242 OE1 GLU A 14 8.566 3.538 -5.619 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.854 4.055 -3.604 1.00 0.00 O ATOM 0 H GLU A 14 3.773 3.383 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 14 6.643 3.364 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.561 4.718 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.220 3.394 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.000 5.425 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.339 5.702 -4.754 1.00 0.00 H new ATOM 250 N GLU A 15 6.350 1.090 -6.261 1.00 0.00 N ATOM 251 CA GLU A 15 6.223 -0.331 -5.962 1.00 0.00 C ATOM 252 C GLU A 15 6.494 -0.619 -4.487 1.00 0.00 C ATOM 253 O GLU A 15 7.107 0.187 -3.787 1.00 0.00 O ATOM 254 CB GLU A 15 7.186 -1.139 -6.836 1.00 0.00 C ATOM 255 CG GLU A 15 7.127 -0.770 -8.309 1.00 0.00 C ATOM 256 CD GLU A 15 8.484 -0.825 -8.979 1.00 0.00 C ATOM 257 OE1 GLU A 15 9.489 -0.498 -8.313 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.544 -1.195 -10.170 1.00 0.00 O ATOM 0 H GLU A 15 7.252 1.496 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 15 5.197 -0.628 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.203 -0.991 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.960 -2.200 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.445 -1.448 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.716 0.234 -8.412 1.00 0.00 H new ATOM 265 N ALA A 16 6.038 -1.781 -4.029 1.00 0.00 N ATOM 266 CA ALA A 16 6.227 -2.202 -2.651 1.00 0.00 C ATOM 267 C ALA A 16 5.880 -3.678 -2.519 1.00 0.00 C ATOM 268 O ALA A 16 4.953 -4.166 -3.161 1.00 0.00 O ATOM 269 CB ALA A 16 5.358 -1.363 -1.707 1.00 0.00 C ATOM 0 H ALA A 16 5.529 -2.453 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 16 7.270 -2.052 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.513 -1.693 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.634 -0.312 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.308 -1.486 -1.973 1.00 0.00 H new ATOM 275 N ILE A 17 6.626 -4.386 -1.692 1.00 0.00 N ATOM 276 CA ILE A 17 6.388 -5.810 -1.488 1.00 0.00 C ATOM 277 C ILE A 17 6.555 -6.198 -0.032 1.00 0.00 C ATOM 278 O ILE A 17 7.425 -5.677 0.666 1.00 0.00 O ATOM 279 CB ILE A 17 7.335 -6.682 -2.331 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.738 -6.072 -2.371 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.783 -6.861 -3.739 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.800 -7.032 -2.863 1.00 0.00 C ATOM 0 H ILE A 17 7.401 -4.003 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 17 5.360 -5.988 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 17 7.406 -7.664 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.726 -5.194 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.005 -5.729 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.465 -7.480 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.807 -7.345 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.681 -5.886 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.769 -6.533 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.840 -7.899 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.557 -7.356 -3.875 1.00 0.00 H new ATOM 294 N LYS A 18 5.710 -7.113 0.424 1.00 0.00 N ATOM 295 CA LYS A 18 5.761 -7.564 1.808 1.00 0.00 C ATOM 296 C LYS A 18 5.467 -9.056 1.918 1.00 0.00 C ATOM 297 O LYS A 18 4.609 -9.586 1.214 1.00 0.00 O ATOM 298 CB LYS A 18 4.764 -6.766 2.646 1.00 0.00 C ATOM 299 CG LYS A 18 4.745 -5.290 2.296 1.00 0.00 C ATOM 300 CD LYS A 18 5.989 -4.567 2.796 1.00 0.00 C ATOM 301 CE LYS A 18 6.256 -3.304 1.993 1.00 0.00 C ATOM 302 NZ LYS A 18 7.086 -2.328 2.751 1.00 0.00 N ATOM 0 H LYS A 18 4.985 -7.555 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 18 6.770 -7.396 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.766 -7.180 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.011 -6.881 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.669 -5.175 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.858 -4.827 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.865 -4.312 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.850 -5.232 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.762 -3.565 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.308 -2.840 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.808 -1.360 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.941 -2.468 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.090 -2.473 2.521 1.00 0.00 H new ATOM 316 N GLU A 19 6.186 -9.726 2.815 1.00 0.00 N ATOM 317 CA GLU A 19 6.004 -11.156 3.028 1.00 0.00 C ATOM 318 C GLU A 19 5.408 -11.421 4.406 1.00 0.00 C ATOM 319 O GLU A 19 6.080 -11.260 5.424 1.00 0.00 O ATOM 320 CB GLU A 19 7.340 -11.884 2.887 1.00 0.00 C ATOM 321 CG GLU A 19 7.687 -12.243 1.452 1.00 0.00 C ATOM 322 CD GLU A 19 9.163 -12.068 1.148 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.693 -10.963 1.407 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.786 -13.029 0.652 1.00 0.00 O ATOM 0 H GLU A 19 6.900 -9.300 3.406 1.00 0.00 H new ATOM 0 HA GLU A 19 5.314 -11.532 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.131 -11.257 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.313 -12.795 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.400 -13.277 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.104 -11.620 0.774 1.00 0.00 H new ATOM 331 N ALA A 20 4.141 -11.822 4.433 1.00 0.00 N ATOM 332 CA ALA A 20 3.461 -12.114 5.687 1.00 0.00 C ATOM 333 C ALA A 20 2.499 -13.281 5.538 1.00 0.00 C ATOM 334 O ALA A 20 2.102 -13.636 4.428 1.00 0.00 O ATOM 335 CB ALA A 20 2.717 -10.882 6.175 1.00 0.00 C ATOM 0 H ALA A 20 3.566 -11.952 3.601 1.00 0.00 H new ATOM 0 HA ALA A 20 4.216 -12.394 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.212 -11.110 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.425 -10.068 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.980 -10.583 5.429 1.00 0.00 H new ATOM 341 N VAL A 21 2.131 -13.887 6.663 1.00 0.00 N ATOM 342 CA VAL A 21 1.215 -15.021 6.660 1.00 0.00 C ATOM 343 C VAL A 21 -0.194 -14.589 6.272 1.00 0.00 C ATOM 344 O VAL A 21 -0.957 -15.365 5.696 1.00 0.00 O ATOM 345 CB VAL A 21 1.171 -15.704 8.040 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.645 -14.755 9.101 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.329 -16.976 7.981 1.00 0.00 C ATOM 0 H VAL A 21 2.454 -13.610 7.590 1.00 0.00 H new ATOM 0 HA VAL A 21 1.588 -15.731 5.921 1.00 0.00 H new ATOM 0 HB VAL A 21 2.189 -15.980 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.624 -15.263 10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.296 -13.883 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.364 -14.437 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.309 -17.445 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.688 -16.726 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.763 -17.667 7.258 1.00 0.00 H new ATOM 357 N ASP A 22 -0.535 -13.348 6.591 1.00 0.00 N ATOM 358 CA ASP A 22 -1.848 -12.812 6.279 1.00 0.00 C ATOM 359 C ASP A 22 -1.739 -11.696 5.239 1.00 0.00 C ATOM 360 O ASP A 22 -0.828 -11.696 4.411 1.00 0.00 O ATOM 361 CB ASP A 22 -2.517 -12.298 7.557 1.00 0.00 C ATOM 362 CG ASP A 22 -4.004 -12.595 7.593 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.411 -13.650 7.063 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.760 -11.771 8.149 1.00 0.00 O ATOM 0 H ASP A 22 0.084 -12.693 7.068 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.463 -13.607 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.037 -12.754 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.362 -11.222 7.637 1.00 0.00 H new ATOM 369 N ALA A 23 -2.673 -10.752 5.283 1.00 0.00 N ATOM 370 CA ALA A 23 -2.680 -9.637 4.343 1.00 0.00 C ATOM 371 C ALA A 23 -2.681 -8.296 5.071 1.00 0.00 C ATOM 372 O ALA A 23 -2.061 -7.332 4.619 1.00 0.00 O ATOM 373 CB ALA A 23 -3.887 -9.736 3.421 1.00 0.00 C ATOM 0 H ALA A 23 -3.436 -10.737 5.960 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.769 -9.694 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.882 -8.898 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.844 -10.672 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.801 -9.709 4.014 1.00 0.00 H new ATOM 379 N GLY A 24 -3.382 -8.240 6.201 1.00 0.00 N ATOM 380 CA GLY A 24 -3.452 -7.011 6.971 1.00 0.00 C ATOM 381 C GLY A 24 -2.080 -6.438 7.281 1.00 0.00 C ATOM 382 O GLY A 24 -1.918 -5.224 7.422 1.00 0.00 O ATOM 0 H GLY A 24 -3.902 -9.023 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.034 -6.273 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.982 -7.201 7.904 1.00 0.00 H new ATOM 386 N ILE A 25 -1.092 -7.316 7.384 1.00 0.00 N ATOM 387 CA ILE A 25 0.271 -6.897 7.677 1.00 0.00 C ATOM 388 C ILE A 25 0.851 -6.087 6.520 1.00 0.00 C ATOM 389 O ILE A 25 1.533 -5.080 6.732 1.00 0.00 O ATOM 390 CB ILE A 25 1.181 -8.114 7.973 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.839 -8.718 9.337 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.653 -7.722 7.925 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.904 -7.720 10.474 1.00 0.00 C ATOM 0 H ILE A 25 -1.209 -8.323 7.269 1.00 0.00 H new ATOM 0 HA ILE A 25 0.235 -6.268 8.566 1.00 0.00 H new ATOM 0 HB ILE A 25 1.003 -8.863 7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.163 -9.144 9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.526 -9.538 9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.269 -8.596 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.895 -7.338 6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.849 -6.951 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.650 -8.218 11.410 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.912 -7.311 10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.197 -6.911 10.289 1.00 0.00 H new ATOM 405 N ALA A 26 0.586 -6.530 5.296 1.00 0.00 N ATOM 406 CA ALA A 26 1.099 -5.836 4.127 1.00 0.00 C ATOM 407 C ALA A 26 0.470 -4.460 3.969 1.00 0.00 C ATOM 408 O ALA A 26 1.177 -3.473 3.776 1.00 0.00 O ATOM 409 CB ALA A 26 0.894 -6.648 2.865 1.00 0.00 C ATOM 0 H ALA A 26 0.025 -7.357 5.091 1.00 0.00 H new ATOM 0 HA ALA A 26 2.170 -5.706 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.289 -6.099 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.415 -7.601 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.171 -6.830 2.718 1.00 0.00 H new ATOM 415 N GLU A 27 -0.860 -4.385 4.050 1.00 0.00 N ATOM 416 CA GLU A 27 -1.540 -3.096 3.910 1.00 0.00 C ATOM 417 C GLU A 27 -0.920 -2.084 4.862 1.00 0.00 C ATOM 418 O GLU A 27 -0.819 -0.899 4.546 1.00 0.00 O ATOM 419 CB GLU A 27 -3.045 -3.198 4.171 1.00 0.00 C ATOM 420 CG GLU A 27 -3.380 -3.781 5.524 1.00 0.00 C ATOM 421 CD GLU A 27 -4.848 -4.137 5.659 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.329 -4.983 4.875 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.517 -3.569 6.547 1.00 0.00 O ATOM 0 H GLU A 27 -1.476 -5.182 4.208 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.411 -2.770 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.488 -2.205 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.500 -3.814 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.777 -4.674 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.111 -3.065 6.301 1.00 0.00 H new ATOM 430 N LYS A 28 -0.483 -2.568 6.024 1.00 0.00 N ATOM 431 CA LYS A 28 0.153 -1.706 7.012 1.00 0.00 C ATOM 432 C LYS A 28 1.441 -1.133 6.445 1.00 0.00 C ATOM 433 O LYS A 28 1.730 0.051 6.600 1.00 0.00 O ATOM 434 CB LYS A 28 0.450 -2.479 8.296 1.00 0.00 C ATOM 435 CG LYS A 28 -0.791 -2.822 9.093 1.00 0.00 C ATOM 436 CD LYS A 28 -0.451 -3.602 10.353 1.00 0.00 C ATOM 437 CE LYS A 28 -1.466 -4.703 10.621 1.00 0.00 C ATOM 438 NZ LYS A 28 -1.970 -4.666 12.022 1.00 0.00 N ATOM 0 H LYS A 28 -0.558 -3.547 6.301 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.531 -0.892 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.976 -3.399 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.121 -1.889 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.315 -1.905 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.471 -3.408 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.543 -4.039 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.417 -2.922 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.304 -4.600 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.009 -5.673 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.659 -5.432 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.175 -4.790 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.429 -3.750 12.202 1.00 0.00 H new ATOM 452 N TYR A 29 2.209 -1.982 5.773 1.00 0.00 N ATOM 453 CA TYR A 29 3.465 -1.542 5.170 1.00 0.00 C ATOM 454 C TYR A 29 3.222 -0.773 3.905 1.00 0.00 C ATOM 455 O TYR A 29 3.958 0.150 3.553 1.00 0.00 O ATOM 456 CB TYR A 29 4.361 -2.716 4.831 1.00 0.00 C ATOM 457 CG TYR A 29 5.455 -2.875 5.858 1.00 0.00 C ATOM 458 CD1 TYR A 29 6.108 -1.743 6.324 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.829 -4.109 6.372 1.00 0.00 C ATOM 460 CE1 TYR A 29 7.089 -1.820 7.258 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.826 -4.200 7.323 1.00 0.00 C ATOM 462 CZ TYR A 29 7.454 -3.052 7.765 1.00 0.00 C ATOM 463 OH TYR A 29 8.448 -3.138 8.711 1.00 0.00 O ATOM 0 H TYR A 29 1.990 -2.968 5.632 1.00 0.00 H new ATOM 0 HA TYR A 29 3.951 -0.905 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.767 -3.629 4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.801 -2.569 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.828 -0.776 5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.336 -5.005 6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.582 -0.923 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.113 -5.163 7.719 1.00 0.00 H new ATOM 0 HH TYR A 29 8.581 -4.076 8.962 1.00 0.00 H new ATOM 473 N PHE A 30 2.183 -1.175 3.229 1.00 0.00 N ATOM 474 CA PHE A 30 1.798 -0.568 1.996 1.00 0.00 C ATOM 475 C PHE A 30 1.330 0.837 2.292 1.00 0.00 C ATOM 476 O PHE A 30 1.699 1.788 1.609 1.00 0.00 O ATOM 477 CB PHE A 30 0.703 -1.423 1.360 1.00 0.00 C ATOM 478 CG PHE A 30 1.183 -2.775 0.878 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.521 -3.037 0.639 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.273 -3.766 0.618 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.931 -4.258 0.153 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.669 -4.991 0.119 1.00 0.00 C ATOM 483 CZ PHE A 30 2.004 -5.233 -0.117 1.00 0.00 C ATOM 0 H PHE A 30 1.577 -1.940 3.525 1.00 0.00 H new ATOM 0 HA PHE A 30 2.627 -0.508 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.097 -1.570 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.274 -0.879 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.256 -2.271 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.775 -3.585 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.981 -4.448 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.065 -5.756 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.320 -6.187 -0.513 1.00 0.00 H new ATOM 493 N LYS A 31 0.557 0.956 3.365 1.00 0.00 N ATOM 494 CA LYS A 31 0.081 2.247 3.812 1.00 0.00 C ATOM 495 C LYS A 31 1.220 2.977 4.516 1.00 0.00 C ATOM 496 O LYS A 31 1.208 4.202 4.625 1.00 0.00 O ATOM 497 CB LYS A 31 -1.130 2.099 4.743 1.00 0.00 C ATOM 498 CG LYS A 31 -0.796 1.528 6.115 1.00 0.00 C ATOM 499 CD LYS A 31 -2.055 1.198 6.902 1.00 0.00 C ATOM 500 CE LYS A 31 -1.788 1.184 8.398 1.00 0.00 C ATOM 501 NZ LYS A 31 -2.641 0.189 9.105 1.00 0.00 N ATOM 0 H LYS A 31 0.250 0.170 3.938 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.245 2.827 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.597 3.076 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.867 1.455 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.192 0.628 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.195 2.246 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.829 1.931 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.436 0.226 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.738 0.954 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.972 2.177 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.168 -0.115 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.557 0.622 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.795 -0.636 8.490 1.00 0.00 H new ATOM 515 N LEU A 32 2.222 2.214 4.978 1.00 0.00 N ATOM 516 CA LEU A 32 3.374 2.820 5.652 1.00 0.00 C ATOM 517 C LEU A 32 4.092 3.772 4.702 1.00 0.00 C ATOM 518 O LEU A 32 4.266 4.953 5.007 1.00 0.00 O ATOM 519 CB LEU A 32 4.341 1.753 6.176 1.00 0.00 C ATOM 520 CG LEU A 32 4.455 1.682 7.702 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.084 1.559 8.348 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.341 0.519 8.111 1.00 0.00 C ATOM 0 H LEU A 32 2.257 1.198 4.899 1.00 0.00 H new ATOM 0 HA LEU A 32 3.008 3.382 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.022 0.779 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.330 1.944 5.760 1.00 0.00 H new ATOM 0 HG LEU A 32 4.909 2.609 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.195 1.511 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.478 2.426 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.594 0.652 7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.413 0.481 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.911 -0.413 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.336 0.653 7.686 1.00 0.00 H new ATOM 534 N ILE A 33 4.496 3.259 3.542 1.00 0.00 N ATOM 535 CA ILE A 33 5.178 4.077 2.552 1.00 0.00 C ATOM 536 C ILE A 33 4.177 4.863 1.710 1.00 0.00 C ATOM 537 O ILE A 33 4.441 6.000 1.326 1.00 0.00 O ATOM 538 CB ILE A 33 6.073 3.231 1.625 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.833 4.125 0.634 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.240 2.199 0.878 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.320 5.435 1.228 1.00 0.00 C ATOM 0 H ILE A 33 4.362 2.285 3.269 1.00 0.00 H new ATOM 0 HA ILE A 33 5.812 4.772 3.102 1.00 0.00 H new ATOM 0 HB ILE A 33 6.804 2.708 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.690 3.573 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.184 4.342 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.887 1.610 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.749 1.540 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.486 2.707 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.846 6.007 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.467 6.010 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.996 5.229 2.058 1.00 0.00 H new ATOM 553 N ALA A 34 3.023 4.261 1.430 1.00 0.00 N ATOM 554 CA ALA A 34 2.002 4.935 0.643 1.00 0.00 C ATOM 555 C ALA A 34 1.541 6.199 1.357 1.00 0.00 C ATOM 556 O ALA A 34 1.236 7.209 0.722 1.00 0.00 O ATOM 557 CB ALA A 34 0.830 4.006 0.387 1.00 0.00 C ATOM 0 H ALA A 34 2.776 3.319 1.734 1.00 0.00 H new ATOM 0 HA ALA A 34 2.429 5.216 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.075 4.526 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.175 3.127 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.397 3.696 1.338 1.00 0.00 H new ATOM 563 N ASN A 35 1.517 6.141 2.686 1.00 0.00 N ATOM 564 CA ASN A 35 1.119 7.288 3.490 1.00 0.00 C ATOM 565 C ASN A 35 2.267 8.285 3.564 1.00 0.00 C ATOM 566 O ASN A 35 2.054 9.497 3.592 1.00 0.00 O ATOM 567 CB ASN A 35 0.714 6.847 4.897 1.00 0.00 C ATOM 568 CG ASN A 35 0.238 8.005 5.752 1.00 0.00 C ATOM 569 OD1 ASN A 35 -0.826 8.575 5.509 1.00 0.00 O ATOM 570 ND2 ASN A 35 1.026 8.359 6.760 1.00 0.00 N ATOM 0 H ASN A 35 1.768 5.313 3.226 1.00 0.00 H new ATOM 0 HA ASN A 35 0.258 7.763 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.078 6.101 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.563 6.366 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.758 9.131 7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.899 7.858 6.925 1.00 0.00 H new ATOM 577 N ALA A 36 3.489 7.760 3.580 1.00 0.00 N ATOM 578 CA ALA A 36 4.678 8.597 3.631 1.00 0.00 C ATOM 579 C ALA A 36 4.924 9.252 2.278 1.00 0.00 C ATOM 580 O ALA A 36 5.405 10.383 2.201 1.00 0.00 O ATOM 581 CB ALA A 36 5.888 7.776 4.053 1.00 0.00 C ATOM 0 H ALA A 36 3.679 6.758 3.558 1.00 0.00 H new ATOM 0 HA ALA A 36 4.518 9.381 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.769 8.417 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.712 7.350 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.051 6.972 3.335 1.00 0.00 H new ATOM 587 N LYS A 37 4.579 8.534 1.211 1.00 0.00 N ATOM 588 CA LYS A 37 4.752 9.053 -0.143 1.00 0.00 C ATOM 589 C LYS A 37 3.672 10.082 -0.459 1.00 0.00 C ATOM 590 O LYS A 37 3.966 11.221 -0.822 1.00 0.00 O ATOM 591 CB LYS A 37 4.702 7.929 -1.185 1.00 0.00 C ATOM 592 CG LYS A 37 5.892 6.988 -1.124 1.00 0.00 C ATOM 593 CD LYS A 37 6.493 6.747 -2.503 1.00 0.00 C ATOM 594 CE LYS A 37 7.950 7.181 -2.559 1.00 0.00 C ATOM 595 NZ LYS A 37 8.086 8.662 -2.634 1.00 0.00 N ATOM 0 H LYS A 37 4.180 7.596 1.258 1.00 0.00 H new ATOM 0 HA LYS A 37 5.733 9.525 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.787 7.354 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.649 8.370 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.652 7.406 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.582 6.037 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.417 5.689 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.920 7.294 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.473 6.813 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.431 6.728 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.094 8.917 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.609 9.011 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.650 9.094 -1.794 1.00 0.00 H new ATOM 609 N THR A 38 2.416 9.664 -0.315 1.00 0.00 N ATOM 610 CA THR A 38 1.275 10.534 -0.579 1.00 0.00 C ATOM 611 C THR A 38 0.209 10.362 0.502 1.00 0.00 C ATOM 612 O THR A 38 0.443 9.701 1.513 1.00 0.00 O ATOM 613 CB THR A 38 0.683 10.223 -1.955 1.00 0.00 C ATOM 614 OG1 THR A 38 0.908 8.868 -2.303 1.00 0.00 O ATOM 615 CG2 THR A 38 1.260 11.081 -3.060 1.00 0.00 C ATOM 0 H THR A 38 2.163 8.722 -0.015 1.00 0.00 H new ATOM 0 HA THR A 38 1.618 11.569 -0.567 1.00 0.00 H new ATOM 0 HB THR A 38 -0.382 10.437 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.059 8.380 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.798 10.810 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.062 12.131 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.336 10.920 -3.121 1.00 0.00 H new ATOM 623 N VAL A 39 -0.960 10.962 0.290 1.00 0.00 N ATOM 624 CA VAL A 39 -2.047 10.870 1.258 1.00 0.00 C ATOM 625 C VAL A 39 -3.415 11.027 0.590 1.00 0.00 C ATOM 626 O VAL A 39 -4.248 11.810 1.046 1.00 0.00 O ATOM 627 CB VAL A 39 -1.902 11.938 2.359 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.780 11.571 3.317 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.662 13.309 1.744 1.00 0.00 C ATOM 0 H VAL A 39 -1.177 11.514 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.984 9.877 1.704 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.832 11.977 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.694 12.338 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.000 10.611 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.159 11.501 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.562 14.051 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.748 13.287 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.504 13.573 1.104 1.00 0.00 H new ATOM 639 N GLU A 40 -3.648 10.281 -0.490 1.00 0.00 N ATOM 640 CA GLU A 40 -4.921 10.353 -1.199 1.00 0.00 C ATOM 641 C GLU A 40 -4.981 9.336 -2.333 1.00 0.00 C ATOM 642 O GLU A 40 -4.067 9.249 -3.153 1.00 0.00 O ATOM 643 CB GLU A 40 -5.145 11.761 -1.751 1.00 0.00 C ATOM 644 CG GLU A 40 -3.922 12.352 -2.436 1.00 0.00 C ATOM 645 CD GLU A 40 -3.808 13.851 -2.237 1.00 0.00 C ATOM 646 OE1 GLU A 40 -4.457 14.601 -2.994 1.00 0.00 O ATOM 647 OE2 GLU A 40 -3.069 14.274 -1.323 1.00 0.00 O ATOM 0 H GLU A 40 -2.976 9.625 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.712 10.118 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.971 11.736 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.446 12.418 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.025 11.869 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.967 12.133 -3.503 1.00 0.00 H new ATOM 654 N GLY A 41 -6.066 8.569 -2.373 1.00 0.00 N ATOM 655 CA GLY A 41 -6.230 7.565 -3.414 1.00 0.00 C ATOM 656 C GLY A 41 -7.124 6.416 -2.986 1.00 0.00 C ATOM 657 O GLY A 41 -7.216 6.105 -1.798 1.00 0.00 O ATOM 0 H GLY A 41 -6.835 8.623 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.651 8.035 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.252 7.174 -3.693 1.00 0.00 H new ATOM 661 N VAL A 42 -7.777 5.777 -3.954 1.00 0.00 N ATOM 662 CA VAL A 42 -8.655 4.650 -3.662 1.00 0.00 C ATOM 663 C VAL A 42 -7.834 3.390 -3.430 1.00 0.00 C ATOM 664 O VAL A 42 -7.212 2.857 -4.348 1.00 0.00 O ATOM 665 CB VAL A 42 -9.673 4.399 -4.792 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.613 5.586 -4.931 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.965 4.108 -6.108 1.00 0.00 C ATOM 0 H VAL A 42 -7.714 6.020 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.211 4.902 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.265 3.521 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.326 5.394 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.151 5.735 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.037 6.481 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.705 3.934 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.342 4.959 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.340 3.222 -5.997 1.00 0.00 H new ATOM 677 N TRP A 43 -7.820 2.939 -2.185 1.00 0.00 N ATOM 678 CA TRP A 43 -7.066 1.770 -1.794 1.00 0.00 C ATOM 679 C TRP A 43 -7.803 0.480 -2.145 1.00 0.00 C ATOM 680 O TRP A 43 -8.981 0.318 -1.828 1.00 0.00 O ATOM 681 CB TRP A 43 -6.818 1.859 -0.297 1.00 0.00 C ATOM 682 CG TRP A 43 -5.478 2.437 0.055 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.168 3.768 0.156 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.264 1.722 0.345 1.00 0.00 C ATOM 685 NE1 TRP A 43 -3.848 3.921 0.491 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.273 2.685 0.616 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.909 0.366 0.408 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -1.969 2.337 0.940 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.606 0.040 0.730 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.659 1.018 0.993 1.00 0.00 C ATOM 0 H TRP A 43 -8.333 3.378 -1.420 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.122 1.745 -2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.599 2.469 0.157 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.900 0.862 0.137 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.863 4.579 -0.005 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.371 4.812 0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.638 -0.405 0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.225 3.093 1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.318 -1.000 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.651 0.722 1.246 1.00 0.00 H new ATOM 701 N THR A 44 -7.095 -0.436 -2.800 1.00 0.00 N ATOM 702 CA THR A 44 -7.672 -1.716 -3.196 1.00 0.00 C ATOM 703 C THR A 44 -6.616 -2.819 -3.158 1.00 0.00 C ATOM 704 O THR A 44 -5.419 -2.547 -3.254 1.00 0.00 O ATOM 705 CB THR A 44 -8.279 -1.619 -4.599 1.00 0.00 C ATOM 706 OG1 THR A 44 -8.065 -0.332 -5.153 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.769 -1.886 -4.624 1.00 0.00 C ATOM 0 H THR A 44 -6.118 -0.315 -3.068 1.00 0.00 H new ATOM 0 HA THR A 44 -8.462 -1.966 -2.487 1.00 0.00 H new ATOM 0 HB THR A 44 -7.776 -2.388 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.459 -0.292 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.137 -1.802 -5.647 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.965 -2.891 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.280 -1.158 -3.994 1.00 0.00 H new ATOM 715 N TYR A 45 -7.066 -4.062 -3.020 1.00 0.00 N ATOM 716 CA TYR A 45 -6.153 -5.203 -2.973 1.00 0.00 C ATOM 717 C TYR A 45 -6.701 -6.374 -3.784 1.00 0.00 C ATOM 718 O TYR A 45 -7.906 -6.627 -3.796 1.00 0.00 O ATOM 719 CB TYR A 45 -5.889 -5.626 -1.518 1.00 0.00 C ATOM 720 CG TYR A 45 -5.344 -7.030 -1.367 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.009 -7.312 -1.630 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.165 -8.073 -0.957 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.508 -8.593 -1.489 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.673 -9.356 -0.814 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.345 -9.611 -1.081 1.00 0.00 C ATOM 726 OH TYR A 45 -3.850 -10.888 -0.939 1.00 0.00 O ATOM 0 H TYR A 45 -8.053 -4.306 -2.939 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.206 -4.898 -3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.184 -4.925 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.819 -5.547 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.352 -6.517 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.206 -7.877 -0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.468 -8.795 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.326 -10.155 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.096 -10.879 -0.313 1.00 0.00 H new ATOM 736 N LYS A 46 -5.803 -7.086 -4.459 1.00 0.00 N ATOM 737 CA LYS A 46 -6.188 -8.232 -5.273 1.00 0.00 C ATOM 738 C LYS A 46 -5.780 -9.538 -4.598 1.00 0.00 C ATOM 739 O LYS A 46 -4.672 -9.657 -4.075 1.00 0.00 O ATOM 740 CB LYS A 46 -5.545 -8.141 -6.659 1.00 0.00 C ATOM 741 CG LYS A 46 -5.640 -6.758 -7.283 1.00 0.00 C ATOM 742 CD LYS A 46 -4.838 -6.673 -8.572 1.00 0.00 C ATOM 743 CE LYS A 46 -4.348 -5.257 -8.830 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.229 -5.228 -9.812 1.00 0.00 N ATOM 0 H LYS A 46 -4.802 -6.888 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.273 -8.220 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.495 -8.425 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.024 -8.863 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.684 -6.520 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.275 -6.013 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.985 -7.350 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.454 -7.004 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.173 -4.649 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.020 -4.810 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.923 -4.245 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.432 -5.787 -9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.549 -5.631 -10.715 1.00 0.00 H new ATOM 758 N ASP A 47 -6.682 -10.512 -4.612 1.00 0.00 N ATOM 759 CA ASP A 47 -6.415 -11.810 -4.000 1.00 0.00 C ATOM 760 C ASP A 47 -5.852 -12.789 -5.024 1.00 0.00 C ATOM 761 O ASP A 47 -5.108 -13.702 -4.677 1.00 0.00 O ATOM 762 CB ASP A 47 -7.694 -12.381 -3.384 1.00 0.00 C ATOM 763 CG ASP A 47 -7.454 -13.696 -2.668 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.487 -13.776 -1.882 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.234 -14.646 -2.894 1.00 0.00 O ATOM 0 H ASP A 47 -7.604 -10.429 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.674 -11.666 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.110 -11.659 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.437 -12.528 -4.168 1.00 0.00 H new ATOM 770 N GLU A 48 -6.215 -12.589 -6.287 1.00 0.00 N ATOM 771 CA GLU A 48 -5.751 -13.454 -7.368 1.00 0.00 C ATOM 772 C GLU A 48 -4.236 -13.635 -7.322 1.00 0.00 C ATOM 773 O GLU A 48 -3.720 -14.698 -7.666 1.00 0.00 O ATOM 774 CB GLU A 48 -6.166 -12.880 -8.723 1.00 0.00 C ATOM 775 CG GLU A 48 -6.215 -13.910 -9.835 1.00 0.00 C ATOM 776 CD GLU A 48 -5.658 -13.383 -11.142 1.00 0.00 C ATOM 777 OE1 GLU A 48 -4.420 -13.234 -11.242 1.00 0.00 O ATOM 778 OE2 GLU A 48 -6.455 -13.131 -12.069 1.00 0.00 O ATOM 0 H GLU A 48 -6.831 -11.834 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.215 -14.431 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.148 -12.417 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.468 -12.091 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.651 -14.792 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.247 -14.228 -9.986 1.00 0.00 H new ATOM 785 N ILE A 49 -3.527 -12.596 -6.897 1.00 0.00 N ATOM 786 CA ILE A 49 -2.073 -12.644 -6.809 1.00 0.00 C ATOM 787 C ILE A 49 -1.548 -11.870 -5.602 1.00 0.00 C ATOM 788 O ILE A 49 -0.363 -11.543 -5.534 1.00 0.00 O ATOM 789 CB ILE A 49 -1.409 -12.097 -8.089 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.741 -10.615 -8.273 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.850 -12.896 -9.302 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.200 -10.349 -8.575 1.00 0.00 C ATOM 0 H ILE A 49 -3.937 -11.708 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.811 -13.695 -6.692 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.329 -12.198 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.463 -10.075 -7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.133 -10.214 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.371 -12.495 -10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.563 -13.940 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.933 -12.827 -9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.358 -9.277 -8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.480 -10.860 -9.496 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.815 -10.718 -7.754 1.00 0.00 H new ATOM 804 N LYS A 50 -2.430 -11.582 -4.651 1.00 0.00 N ATOM 805 CA LYS A 50 -2.046 -10.845 -3.449 1.00 0.00 C ATOM 806 C LYS A 50 -1.259 -9.585 -3.803 1.00 0.00 C ATOM 807 O LYS A 50 -0.031 -9.559 -3.707 1.00 0.00 O ATOM 808 CB LYS A 50 -1.213 -11.736 -2.526 1.00 0.00 C ATOM 809 CG LYS A 50 -1.824 -13.103 -2.294 1.00 0.00 C ATOM 810 CD LYS A 50 -0.978 -13.938 -1.343 1.00 0.00 C ATOM 811 CE LYS A 50 -0.939 -15.397 -1.764 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.002 -16.317 -0.595 1.00 0.00 N ATOM 0 H LYS A 50 -3.414 -11.846 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.958 -10.545 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.218 -11.859 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.088 -11.235 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.828 -12.989 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.925 -13.624 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.036 -13.540 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.381 -13.861 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.774 -15.604 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.025 -15.588 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.973 -17.302 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.191 -16.138 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.886 -16.154 -0.072 1.00 0.00 H new ATOM 826 N THR A 51 -1.973 -8.543 -4.216 1.00 0.00 N ATOM 827 CA THR A 51 -1.335 -7.287 -4.586 1.00 0.00 C ATOM 828 C THR A 51 -2.214 -6.092 -4.235 1.00 0.00 C ATOM 829 O THR A 51 -3.386 -6.038 -4.606 1.00 0.00 O ATOM 830 CB THR A 51 -1.014 -7.277 -6.081 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.196 -8.382 -6.426 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.302 -6.021 -6.535 1.00 0.00 C ATOM 0 H THR A 51 -2.989 -8.544 -4.302 1.00 0.00 H new ATOM 0 HA THR A 51 -0.408 -7.204 -4.018 1.00 0.00 H new ATOM 0 HB THR A 51 -1.981 -7.328 -6.582 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.003 -8.359 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.105 -6.081 -7.605 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.929 -5.153 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.641 -5.923 -5.998 1.00 0.00 H new ATOM 840 N PHE A 52 -1.633 -5.132 -3.523 1.00 0.00 N ATOM 841 CA PHE A 52 -2.352 -3.928 -3.125 1.00 0.00 C ATOM 842 C PHE A 52 -2.100 -2.807 -4.126 1.00 0.00 C ATOM 843 O PHE A 52 -1.005 -2.679 -4.668 1.00 0.00 O ATOM 844 CB PHE A 52 -1.922 -3.501 -1.722 1.00 0.00 C ATOM 845 CG PHE A 52 -2.932 -3.811 -0.658 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.903 -5.027 0.007 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.908 -2.890 -0.321 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.830 -5.317 0.990 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.839 -3.175 0.661 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.800 -4.390 1.317 1.00 0.00 C ATOM 0 H PHE A 52 -0.663 -5.165 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.421 -4.143 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.983 -3.996 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.727 -2.429 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.147 -5.756 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.943 -1.938 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.796 -6.267 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.596 -2.448 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.526 -4.615 2.084 1.00 0.00 H new ATOM 860 N THR A 53 -3.125 -2.012 -4.380 1.00 0.00 N ATOM 861 CA THR A 53 -3.013 -0.909 -5.333 1.00 0.00 C ATOM 862 C THR A 53 -3.817 0.313 -4.898 1.00 0.00 C ATOM 863 O THR A 53 -4.920 0.188 -4.366 1.00 0.00 O ATOM 864 CB THR A 53 -3.474 -1.364 -6.719 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.906 -2.619 -7.049 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.108 -0.390 -7.819 1.00 0.00 C ATOM 0 H THR A 53 -4.043 -2.105 -3.944 1.00 0.00 H new ATOM 0 HA THR A 53 -1.963 -0.618 -5.369 1.00 0.00 H new ATOM 0 HB THR A 53 -4.560 -1.427 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.081 -2.820 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.463 -0.772 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.572 0.576 -7.619 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.025 -0.272 -7.855 1.00 0.00 H new ATOM 874 N VAL A 54 -3.263 1.497 -5.154 1.00 0.00 N ATOM 875 CA VAL A 54 -3.939 2.750 -4.817 1.00 0.00 C ATOM 876 C VAL A 54 -4.097 3.630 -6.059 1.00 0.00 C ATOM 877 O VAL A 54 -3.149 3.816 -6.821 1.00 0.00 O ATOM 878 CB VAL A 54 -3.202 3.529 -3.690 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.497 4.779 -4.225 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.193 3.915 -2.597 1.00 0.00 C ATOM 0 H VAL A 54 -2.350 1.616 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.928 2.489 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.436 2.872 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.995 5.293 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.762 4.489 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.232 5.446 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.672 4.460 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.974 4.547 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.642 3.014 -2.178 1.00 0.00 H new ATOM 890 N THR A 55 -5.298 4.164 -6.256 1.00 0.00 N ATOM 891 CA THR A 55 -5.572 5.019 -7.408 1.00 0.00 C ATOM 892 C THR A 55 -6.269 6.311 -6.990 1.00 0.00 C ATOM 893 O THR A 55 -7.376 6.285 -6.456 1.00 0.00 O ATOM 894 CB THR A 55 -6.431 4.273 -8.430 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.327 2.872 -8.245 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.053 4.575 -9.866 1.00 0.00 C ATOM 0 H THR A 55 -6.095 4.021 -5.636 1.00 0.00 H new ATOM 0 HA THR A 55 -4.616 5.280 -7.862 1.00 0.00 H new ATOM 0 HB THR A 55 -7.450 4.620 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.885 2.412 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.701 4.013 -10.539 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.170 5.642 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.016 4.287 -10.037 1.00 0.00 H new ATOM 904 N GLU A 56 -5.617 7.441 -7.242 1.00 0.00 N ATOM 905 CA GLU A 56 -6.184 8.741 -6.894 1.00 0.00 C ATOM 906 C GLU A 56 -6.458 9.569 -8.146 1.00 0.00 C ATOM 907 O GLU A 56 -5.577 9.612 -9.030 1.00 0.00 O ATOM 908 CB GLU A 56 -5.240 9.499 -5.957 1.00 0.00 C ATOM 909 CG GLU A 56 -3.964 9.981 -6.630 1.00 0.00 C ATOM 910 CD GLU A 56 -3.992 11.465 -6.935 1.00 0.00 C ATOM 911 OE1 GLU A 56 -4.736 11.868 -7.854 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.269 12.225 -6.257 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.552 10.166 -8.231 1.00 0.00 O ATOM 0 H GLU A 56 -4.699 7.484 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.131 8.572 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.767 10.358 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.976 8.852 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.113 9.762 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.814 9.426 -7.556 1.00 0.00 H new