USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.581 (180deg=0.384) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.463 K(o=-0.46,f=-4!) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.0594 (180deg=-0.354) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -120:sc=-0.00191 USER MOD Single : A 28 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 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.51) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0398 F(o=-1.6,f=-0.04) USER MOD Single : A 44 THR OG1 : rot -63:sc= 1.31 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 59:sc= 0.0228 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.808 -8.418 7.507 1.00 2.03 N ATOM 2 CA MET A 1 18.761 -9.441 7.924 1.00 34.23 C ATOM 3 C MET A 1 18.412 -10.792 7.307 1.00 73.15 C ATOM 4 O MET A 1 17.238 -11.115 7.115 1.00 63.51 O ATOM 5 CB MET A 1 18.784 -9.556 9.449 1.00 42.53 C ATOM 6 CG MET A 1 20.108 -10.065 9.999 1.00 45.15 C ATOM 7 SD MET A 1 21.279 -8.736 10.333 1.00 3.33 S ATOM 8 CE MET A 1 22.598 -9.156 9.196 1.00 73.52 C ATOM 0 H1 MET A 1 18.228 -7.476 7.642 1.00 2.03 H new ATOM 0 H2 MET A 1 17.572 -8.552 6.503 1.00 2.03 H new ATOM 0 H3 MET A 1 16.943 -8.496 8.079 1.00 2.03 H new ATOM 0 HA MET A 1 19.750 -9.145 7.574 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.571 -8.579 9.882 1.00 42.53 H new ATOM 0 HB3 MET A 1 17.986 -10.226 9.767 1.00 42.53 H new ATOM 0 HG2 MET A 1 19.925 -10.622 10.918 1.00 45.15 H new ATOM 0 HG3 MET A 1 20.549 -10.762 9.286 1.00 45.15 H new ATOM 0 HE1 MET A 1 23.401 -8.424 9.284 1.00 73.52 H new ATOM 0 HE2 MET A 1 22.983 -10.147 9.436 1.00 73.52 H new ATOM 0 HE3 MET A 1 22.214 -9.153 8.176 1.00 73.52 H new ATOM 18 N THR A 2 19.438 -11.578 6.997 1.00 32.33 N ATOM 19 CA THR A 2 19.240 -12.894 6.401 1.00 25.25 C ATOM 20 C THR A 2 19.346 -13.995 7.449 1.00 52.42 C ATOM 21 O THR A 2 20.419 -14.236 8.004 1.00 3.11 O ATOM 22 CB THR A 2 20.265 -13.163 5.283 1.00 23.24 C ATOM 23 OG1 THR A 2 20.451 -11.983 4.494 1.00 35.55 O ATOM 24 CG2 THR A 2 19.804 -14.308 4.392 1.00 50.33 C ATOM 0 H THR A 2 20.415 -11.326 7.149 1.00 32.33 H new ATOM 0 HA THR A 2 18.237 -12.900 5.974 1.00 25.25 H new ATOM 0 HB THR A 2 21.211 -13.442 5.747 1.00 23.24 H new ATOM 0 HG1 THR A 2 21.105 -12.162 3.787 1.00 35.55 H new ATOM 0 HG21 THR A 2 20.543 -14.480 3.610 1.00 50.33 H new ATOM 0 HG22 THR A 2 19.691 -15.212 4.990 1.00 50.33 H new ATOM 0 HG23 THR A 2 18.847 -14.052 3.937 1.00 50.33 H new ATOM 32 N PHE A 3 18.229 -14.662 7.715 1.00 23.24 N ATOM 33 CA PHE A 3 18.197 -15.738 8.699 1.00 31.32 C ATOM 34 C PHE A 3 18.056 -17.096 8.014 1.00 32.01 C ATOM 35 O PHE A 3 17.441 -17.209 6.954 1.00 41.12 O ATOM 36 CB PHE A 3 17.043 -15.527 9.681 1.00 42.31 C ATOM 37 CG PHE A 3 17.432 -14.751 10.905 1.00 33.03 C ATOM 38 CD1 PHE A 3 17.062 -13.423 11.047 1.00 42.10 C ATOM 39 CD2 PHE A 3 18.170 -15.348 11.915 1.00 33.44 C ATOM 40 CE1 PHE A 3 17.418 -12.706 12.173 1.00 51.32 C ATOM 41 CE2 PHE A 3 18.529 -14.636 13.043 1.00 24.41 C ATOM 42 CZ PHE A 3 18.154 -13.313 13.172 1.00 72.31 C ATOM 0 H PHE A 3 17.333 -14.477 7.263 1.00 23.24 H new ATOM 0 HA PHE A 3 19.138 -15.723 9.248 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.234 -15.004 9.171 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.653 -16.498 9.985 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.488 -12.943 10.268 1.00 42.10 H new ATOM 0 HD2 PHE A 3 18.468 -16.382 11.819 1.00 33.44 H new ATOM 0 HE1 PHE A 3 17.121 -11.672 12.272 1.00 51.32 H new ATOM 0 HE2 PHE A 3 19.103 -15.114 13.824 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.436 -12.754 14.052 1.00 72.31 H new ATOM 52 N LYS A 4 18.631 -18.124 8.630 1.00 30.13 N ATOM 53 CA LYS A 4 18.571 -19.474 8.083 1.00 25.34 C ATOM 54 C LYS A 4 17.847 -20.416 9.039 1.00 70.05 C ATOM 55 O LYS A 4 17.979 -20.301 10.259 1.00 25.23 O ATOM 56 CB LYS A 4 19.982 -19.997 7.804 1.00 2.25 C ATOM 57 CG LYS A 4 20.074 -20.865 6.561 1.00 51.01 C ATOM 58 CD LYS A 4 21.281 -21.787 6.611 1.00 12.30 C ATOM 59 CE LYS A 4 22.519 -21.115 6.034 1.00 32.32 C ATOM 60 NZ LYS A 4 23.757 -21.885 6.334 1.00 32.44 N1+ ATOM 0 H LYS A 4 19.144 -18.047 9.508 1.00 30.13 H new ATOM 0 HA LYS A 4 18.014 -19.436 7.147 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.660 -19.150 7.697 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.324 -20.572 8.665 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.165 -21.459 6.463 1.00 51.01 H new ATOM 0 HG3 LYS A 4 20.137 -20.230 5.677 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.473 -22.082 7.643 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.067 -22.699 6.054 1.00 12.30 H new ATOM 0 HE2 LYS A 4 22.407 -21.013 4.955 1.00 32.32 H new ATOM 0 HE3 LYS A 4 22.609 -20.108 6.442 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 24.578 -21.395 5.925 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 23.877 -21.961 7.364 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 23.682 -22.837 5.923 1.00 32.44 H new ATOM 74 N LEU A 5 17.085 -21.350 8.480 1.00 33.01 N ATOM 75 CA LEU A 5 16.342 -22.314 9.284 1.00 5.52 C ATOM 76 C LEU A 5 16.912 -23.718 9.114 1.00 63.41 C ATOM 77 O LEU A 5 17.199 -24.152 7.998 1.00 54.40 O ATOM 78 CB LEU A 5 14.862 -22.300 8.893 1.00 41.31 C ATOM 79 CG LEU A 5 13.947 -23.219 9.702 1.00 72.33 C ATOM 80 CD1 LEU A 5 14.124 -22.970 11.193 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.495 -23.017 9.294 1.00 71.45 C ATOM 0 H LEU A 5 16.966 -21.460 7.473 1.00 33.01 H new ATOM 0 HA LEU A 5 16.437 -22.028 10.331 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.492 -21.279 8.985 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.782 -22.574 7.841 1.00 41.31 H new ATOM 0 HG LEU A 5 14.222 -24.253 9.492 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.465 -23.633 11.753 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.159 -23.165 11.474 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.875 -21.934 11.421 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.857 -23.679 9.880 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.207 -21.982 9.475 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.380 -23.246 8.235 1.00 71.45 H new ATOM 93 N ILE A 6 17.071 -24.425 10.229 1.00 4.33 N ATOM 94 CA ILE A 6 17.604 -25.781 10.203 1.00 33.32 C ATOM 95 C ILE A 6 16.619 -26.771 10.817 1.00 45.43 C ATOM 96 O ILE A 6 16.460 -26.827 12.037 1.00 53.14 O ATOM 97 CB ILE A 6 18.945 -25.874 10.954 1.00 13.12 C ATOM 98 CG1 ILE A 6 20.051 -25.180 10.157 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.306 -27.329 11.215 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.370 -25.864 8.847 1.00 64.22 C ATOM 0 H ILE A 6 16.838 -24.081 11.161 1.00 4.33 H new ATOM 0 HA ILE A 6 17.766 -26.036 9.156 1.00 33.32 H new ATOM 0 HB ILE A 6 18.843 -25.367 11.914 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.753 -24.151 9.957 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.955 -25.138 10.765 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.256 -27.378 11.747 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.527 -27.794 11.820 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.393 -27.858 10.266 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.163 -25.318 8.335 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.699 -26.885 9.040 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.479 -25.883 8.220 1.00 64.22 H new ATOM 112 N ILE A 7 15.962 -27.550 9.966 1.00 20.51 N ATOM 113 CA ILE A 7 14.995 -28.539 10.425 1.00 51.32 C ATOM 114 C ILE A 7 15.614 -29.932 10.472 1.00 24.33 C ATOM 115 O ILE A 7 15.566 -30.677 9.494 1.00 22.23 O ATOM 116 CB ILE A 7 13.750 -28.573 9.519 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.160 -27.168 9.373 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.712 -29.534 10.080 1.00 72.24 C ATOM 119 CD1 ILE A 7 11.978 -27.105 8.433 1.00 50.13 C ATOM 0 H ILE A 7 16.082 -27.516 8.954 1.00 20.51 H new ATOM 0 HA ILE A 7 14.694 -28.243 11.430 1.00 51.32 H new ATOM 0 HB ILE A 7 14.047 -28.926 8.532 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.853 -26.808 10.355 1.00 1.21 H new ATOM 0 HG13 ILE A 7 13.936 -26.492 9.014 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.838 -29.547 9.428 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.137 -30.536 10.137 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.416 -29.208 11.077 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.611 -26.080 8.378 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.285 -27.435 7.440 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.185 -27.755 8.802 1.00 50.13 H new ATOM 131 N ASN A 8 16.195 -30.278 11.616 1.00 64.41 N ATOM 132 CA ASN A 8 16.822 -31.582 11.792 1.00 62.14 C ATOM 133 C ASN A 8 15.771 -32.682 11.900 1.00 34.41 C ATOM 134 O ASN A 8 15.448 -33.142 12.995 1.00 1.43 O ATOM 135 CB ASN A 8 17.708 -31.583 13.041 1.00 1.04 C ATOM 136 CG ASN A 8 18.539 -32.845 13.160 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.258 -33.850 12.508 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.568 -32.798 13.997 1.00 14.42 N ATOM 0 H ASN A 8 16.244 -29.673 12.435 1.00 64.41 H new ATOM 0 HA ASN A 8 17.440 -31.780 10.916 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.369 -30.717 13.014 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.082 -31.479 13.927 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.163 -33.617 14.120 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.764 -31.943 14.517 1.00 14.42 H new ATOM 145 N GLY A 9 15.237 -33.099 10.756 1.00 25.24 N ATOM 146 CA GLY A 9 14.228 -34.141 10.744 1.00 42.23 C ATOM 147 C GLY A 9 14.801 -35.500 10.393 1.00 54.12 C ATOM 148 O GLY A 9 15.457 -35.658 9.363 1.00 64.31 O ATOM 0 H GLY A 9 15.486 -32.733 9.837 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.752 -34.193 11.723 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.451 -33.881 10.025 1.00 42.23 H new ATOM 152 N LYS A 10 14.554 -36.484 11.250 1.00 20.14 N ATOM 153 CA LYS A 10 15.050 -37.836 11.026 1.00 61.12 C ATOM 154 C LYS A 10 14.378 -38.469 9.812 1.00 44.41 C ATOM 155 O LYS A 10 14.979 -39.281 9.109 1.00 51.54 O ATOM 156 CB LYS A 10 14.807 -38.702 12.266 1.00 74.11 C ATOM 157 CG LYS A 10 15.648 -38.297 13.464 1.00 52.15 C ATOM 158 CD LYS A 10 15.943 -39.486 14.364 1.00 52.11 C ATOM 159 CE LYS A 10 17.157 -40.264 13.880 1.00 33.45 C ATOM 160 NZ LYS A 10 18.416 -39.486 14.047 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.013 -36.370 12.107 1.00 20.14 H new ATOM 0 HA LYS A 10 16.122 -37.776 10.835 1.00 61.12 H new ATOM 0 HB2 LYS A 10 13.753 -38.646 12.537 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.018 -39.743 12.019 1.00 74.11 H new ATOM 0 HG2 LYS A 10 16.585 -37.858 13.121 1.00 52.15 H new ATOM 0 HG3 LYS A 10 15.126 -37.529 14.034 1.00 52.15 H new ATOM 0 HD2 LYS A 10 16.115 -39.139 15.383 1.00 52.11 H new ATOM 0 HD3 LYS A 10 15.075 -40.145 14.394 1.00 52.11 H new ATOM 0 HE2 LYS A 10 17.233 -41.200 14.433 1.00 33.45 H new ATOM 0 HE3 LYS A 10 17.027 -40.524 12.829 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 19.229 -40.135 14.036 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 18.507 -38.802 13.269 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 18.392 -38.977 14.954 1.00 33.12 H new ATOM 174 N THR A 11 13.128 -38.089 9.569 1.00 15.21 N ATOM 175 CA THR A 11 12.373 -38.618 8.439 1.00 62.22 C ATOM 176 C THR A 11 12.490 -37.706 7.225 1.00 61.24 C ATOM 177 O THR A 11 12.485 -38.170 6.084 1.00 32.30 O ATOM 178 CB THR A 11 10.885 -38.797 8.792 1.00 70.54 C ATOM 179 OG1 THR A 11 10.365 -37.587 9.353 1.00 73.10 O ATOM 180 CG2 THR A 11 10.696 -39.942 9.777 1.00 44.40 C ATOM 0 H THR A 11 12.616 -37.416 10.140 1.00 15.21 H new ATOM 0 HA THR A 11 12.801 -39.592 8.201 1.00 62.22 H new ATOM 0 HB THR A 11 10.343 -39.034 7.876 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.418 -37.709 9.573 1.00 73.10 H new ATOM 0 HG21 THR A 11 9.637 -40.049 10.011 1.00 44.40 H new ATOM 0 HG22 THR A 11 11.065 -40.867 9.335 1.00 44.40 H new ATOM 0 HG23 THR A 11 11.250 -39.731 10.691 1.00 44.40 H new ATOM 188 N LEU A 12 12.595 -36.406 7.475 1.00 23.00 N ATOM 189 CA LEU A 12 12.713 -35.426 6.402 1.00 43.11 C ATOM 190 C LEU A 12 13.426 -34.167 6.888 1.00 4.35 C ATOM 191 O LEU A 12 12.955 -33.489 7.800 1.00 72.22 O ATOM 192 CB LEU A 12 11.330 -35.065 5.857 1.00 64.33 C ATOM 193 CG LEU A 12 11.307 -34.257 4.561 1.00 11.33 C ATOM 194 CD1 LEU A 12 10.019 -34.513 3.795 1.00 33.21 C ATOM 195 CD2 LEU A 12 11.471 -32.773 4.851 1.00 70.53 C ATOM 0 H LEU A 12 12.601 -36.006 8.413 1.00 23.00 H new ATOM 0 HA LEU A 12 13.306 -35.871 5.603 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.774 -35.988 5.695 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.796 -34.501 6.622 1.00 64.33 H new ATOM 0 HG LEU A 12 12.145 -34.579 3.942 1.00 11.33 H new ATOM 0 HD11 LEU A 12 10.021 -33.929 2.875 1.00 33.21 H new ATOM 0 HD12 LEU A 12 9.945 -35.573 3.552 1.00 33.21 H new ATOM 0 HD13 LEU A 12 9.167 -34.221 4.408 1.00 33.21 H new ATOM 0 HD21 LEU A 12 11.452 -32.215 3.915 1.00 70.53 H new ATOM 0 HD22 LEU A 12 10.656 -32.435 5.491 1.00 70.53 H new ATOM 0 HD23 LEU A 12 12.423 -32.604 5.355 1.00 70.53 H new ATOM 207 N LYS A 13 14.562 -33.863 6.270 1.00 21.15 N ATOM 208 CA LYS A 13 15.339 -32.685 6.637 1.00 13.53 C ATOM 209 C LYS A 13 15.190 -31.586 5.589 1.00 62.51 C ATOM 210 O LYS A 13 14.959 -31.865 4.414 1.00 23.21 O ATOM 211 CB LYS A 13 16.816 -33.051 6.799 1.00 14.43 C ATOM 212 CG LYS A 13 17.562 -32.156 7.773 1.00 1.44 C ATOM 213 CD LYS A 13 19.067 -32.305 7.628 1.00 42.34 C ATOM 214 CE LYS A 13 19.601 -31.475 6.471 1.00 71.21 C ATOM 215 NZ LYS A 13 19.917 -30.081 6.890 1.00 31.45 N1+ ATOM 0 H LYS A 13 14.965 -34.416 5.513 1.00 21.15 H new ATOM 0 HA LYS A 13 14.957 -32.312 7.587 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.890 -34.084 7.138 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.303 -32.999 5.825 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.280 -31.117 7.602 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.268 -32.402 8.793 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.555 -31.998 8.553 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.316 -33.354 7.470 1.00 42.34 H new ATOM 0 HE2 LYS A 13 20.498 -31.946 6.069 1.00 71.21 H new ATOM 0 HE3 LYS A 13 18.865 -31.455 5.668 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 20.278 -29.547 6.074 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 19.055 -29.623 7.250 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 20.638 -30.099 7.639 1.00 31.45 H new ATOM 229 N GLY A 14 15.324 -30.337 6.024 1.00 64.41 N ATOM 230 CA GLY A 14 15.202 -29.216 5.110 1.00 2.42 C ATOM 231 C GLY A 14 15.669 -27.912 5.726 1.00 5.42 C ATOM 232 O GLY A 14 16.103 -27.883 6.876 1.00 43.14 O ATOM 0 H GLY A 14 15.515 -30.081 6.993 1.00 64.41 H new ATOM 0 HA2 GLY A 14 15.785 -29.419 4.211 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.162 -29.116 4.800 1.00 2.42 H new ATOM 236 N GLU A 15 15.580 -26.831 4.956 1.00 34.54 N ATOM 237 CA GLU A 15 16.000 -25.519 5.434 1.00 71.41 C ATOM 238 C GLU A 15 15.363 -24.408 4.604 1.00 64.34 C ATOM 239 O GLU A 15 14.928 -24.633 3.474 1.00 1.11 O ATOM 240 CB GLU A 15 17.525 -25.397 5.382 1.00 73.45 C ATOM 241 CG GLU A 15 18.097 -25.495 3.979 1.00 42.33 C ATOM 242 CD GLU A 15 19.602 -25.674 3.973 1.00 65.22 C ATOM 243 OE1 GLU A 15 20.079 -26.711 4.481 1.00 13.12 O ATOM 244 OE2 GLU A 15 20.305 -24.776 3.463 1.00 51.34 O1- ATOM 0 H GLU A 15 15.222 -26.838 4.001 1.00 34.54 H new ATOM 0 HA GLU A 15 15.668 -25.414 6.467 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.820 -24.443 5.819 1.00 73.45 H new ATOM 0 HB3 GLU A 15 17.965 -26.180 6.000 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.633 -26.334 3.460 1.00 42.33 H new ATOM 0 HG3 GLU A 15 17.840 -24.594 3.422 1.00 42.33 H new ATOM 251 N THR A 16 15.308 -23.209 5.174 1.00 30.23 N ATOM 252 CA THR A 16 14.723 -22.063 4.489 1.00 24.41 C ATOM 253 C THR A 16 15.162 -20.753 5.133 1.00 65.30 C ATOM 254 O THR A 16 15.506 -20.716 6.316 1.00 35.35 O ATOM 255 CB THR A 16 13.185 -22.134 4.492 1.00 23.35 C ATOM 256 OG1 THR A 16 12.639 -20.958 3.881 1.00 41.12 O ATOM 257 CG2 THR A 16 12.652 -22.266 5.911 1.00 10.41 C ATOM 0 H THR A 16 15.662 -23.006 6.109 1.00 30.23 H new ATOM 0 HA THR A 16 15.079 -22.094 3.459 1.00 24.41 H new ATOM 0 HB THR A 16 12.883 -23.013 3.923 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.660 -21.011 3.885 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.563 -22.314 5.888 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.046 -23.176 6.365 1.00 10.41 H new ATOM 0 HG23 THR A 16 12.964 -21.403 6.499 1.00 10.41 H new ATOM 265 N THR A 17 15.146 -19.679 4.351 1.00 54.32 N ATOM 266 CA THR A 17 15.544 -18.368 4.845 1.00 12.31 C ATOM 267 C THR A 17 14.435 -17.341 4.635 1.00 23.20 C ATOM 268 O THR A 17 13.555 -17.527 3.794 1.00 35.13 O ATOM 269 CB THR A 17 16.825 -17.870 4.153 1.00 33.43 C ATOM 270 OG1 THR A 17 16.553 -17.564 2.780 1.00 1.33 O ATOM 271 CG2 THR A 17 17.926 -18.915 4.235 1.00 2.04 C ATOM 0 H THR A 17 14.861 -19.692 3.372 1.00 54.32 H new ATOM 0 HA THR A 17 15.737 -18.479 5.912 1.00 12.31 H new ATOM 0 HB THR A 17 17.162 -16.969 4.666 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.373 -17.246 2.347 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.821 -18.540 3.739 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.151 -19.125 5.281 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.596 -19.831 3.744 1.00 2.04 H new ATOM 279 N THR A 18 14.484 -16.258 5.405 1.00 1.12 N ATOM 280 CA THR A 18 13.483 -15.203 5.303 1.00 0.52 C ATOM 281 C THR A 18 14.013 -13.887 5.856 1.00 45.23 C ATOM 282 O THR A 18 14.533 -13.837 6.971 1.00 15.53 O ATOM 283 CB THR A 18 12.192 -15.580 6.053 1.00 64.43 C ATOM 284 OG1 THR A 18 11.286 -14.470 6.054 1.00 33.34 O ATOM 285 CG2 THR A 18 12.498 -15.993 7.485 1.00 40.51 C ATOM 0 H THR A 18 15.206 -16.089 6.106 1.00 1.12 H new ATOM 0 HA THR A 18 13.257 -15.083 4.243 1.00 0.52 H new ATOM 0 HB THR A 18 11.732 -16.424 5.540 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.466 -14.717 6.531 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.571 -16.255 7.994 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.165 -16.855 7.480 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.978 -15.166 8.008 1.00 40.51 H new ATOM 293 N GLU A 19 13.879 -12.822 5.072 1.00 35.24 N ATOM 294 CA GLU A 19 14.346 -11.505 5.486 1.00 14.34 C ATOM 295 C GLU A 19 13.471 -10.943 6.604 1.00 73.40 C ATOM 296 O GLU A 19 12.262 -10.782 6.439 1.00 13.11 O ATOM 297 CB GLU A 19 14.351 -10.543 4.297 1.00 73.50 C ATOM 298 CG GLU A 19 15.575 -10.682 3.407 1.00 40.15 C ATOM 299 CD GLU A 19 15.519 -9.773 2.193 1.00 11.31 C ATOM 300 OE1 GLU A 19 15.428 -10.299 1.063 1.00 30.40 O ATOM 301 OE2 GLU A 19 15.568 -8.539 2.373 1.00 34.34 O1- ATOM 0 H GLU A 19 13.451 -12.846 4.147 1.00 35.24 H new ATOM 0 HA GLU A 19 15.363 -11.612 5.862 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.456 -10.713 3.699 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.296 -9.520 4.668 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.469 -10.453 3.987 1.00 40.15 H new ATOM 0 HG3 GLU A 19 15.665 -11.717 3.078 1.00 40.15 H new ATOM 308 N ALA A 20 14.092 -10.649 7.742 1.00 74.44 N ATOM 309 CA ALA A 20 13.372 -10.106 8.886 1.00 23.12 C ATOM 310 C ALA A 20 14.165 -8.987 9.554 1.00 54.32 C ATOM 311 O ALA A 20 15.286 -8.681 9.149 1.00 42.41 O ATOM 312 CB ALA A 20 13.065 -11.208 9.889 1.00 33.00 C ATOM 0 H ALA A 20 15.092 -10.778 7.895 1.00 74.44 H new ATOM 0 HA ALA A 20 12.433 -9.686 8.526 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.527 -10.787 10.738 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.451 -11.973 9.413 1.00 33.00 H new ATOM 0 HB3 ALA A 20 13.997 -11.655 10.235 1.00 33.00 H new ATOM 318 N VAL A 21 13.576 -8.379 10.578 1.00 3.03 N ATOM 319 CA VAL A 21 14.228 -7.295 11.302 1.00 53.14 C ATOM 320 C VAL A 21 14.684 -7.752 12.683 1.00 3.01 C ATOM 321 O VAL A 21 15.637 -7.212 13.245 1.00 4.54 O ATOM 322 CB VAL A 21 13.292 -6.082 11.457 1.00 33.31 C ATOM 323 CG1 VAL A 21 13.075 -5.399 10.116 1.00 23.31 C ATOM 324 CG2 VAL A 21 11.966 -6.506 12.070 1.00 5.33 C ATOM 0 H VAL A 21 12.647 -8.619 10.925 1.00 3.03 H new ATOM 0 HA VAL A 21 15.098 -7.001 10.715 1.00 53.14 H new ATOM 0 HB VAL A 21 13.764 -5.366 12.130 1.00 33.31 H new ATOM 0 HG11 VAL A 21 12.411 -4.544 10.246 1.00 23.31 H new ATOM 0 HG12 VAL A 21 14.032 -5.058 9.722 1.00 23.31 H new ATOM 0 HG13 VAL A 21 12.626 -6.104 9.417 1.00 23.31 H new ATOM 0 HG21 VAL A 21 11.318 -5.636 12.172 1.00 5.33 H new ATOM 0 HG22 VAL A 21 11.486 -7.243 11.426 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.143 -6.944 13.052 1.00 5.33 H new ATOM 334 N ASP A 22 13.997 -8.751 13.226 1.00 31.34 N ATOM 335 CA ASP A 22 14.332 -9.283 14.542 1.00 34.11 C ATOM 336 C ASP A 22 14.251 -10.806 14.549 1.00 64.45 C ATOM 337 O ASP A 22 13.663 -11.411 13.652 1.00 24.43 O ATOM 338 CB ASP A 22 13.393 -8.705 15.602 1.00 2.35 C ATOM 339 CG ASP A 22 13.707 -7.258 15.928 1.00 12.32 C ATOM 340 OD1 ASP A 22 12.755 -6.472 16.117 1.00 25.10 O ATOM 341 OD2 ASP A 22 14.905 -6.914 15.997 1.00 2.01 O1- ATOM 0 H ASP A 22 13.205 -9.209 12.775 1.00 31.34 H new ATOM 0 HA ASP A 22 15.356 -8.991 14.776 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.364 -8.780 15.251 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.464 -9.303 16.511 1.00 2.35 H new ATOM 346 N ALA A 23 14.847 -11.421 15.566 1.00 45.21 N ATOM 347 CA ALA A 23 14.842 -12.872 15.689 1.00 14.32 C ATOM 348 C ALA A 23 13.418 -13.414 15.751 1.00 51.22 C ATOM 349 O ALA A 23 13.156 -14.547 15.346 1.00 61.02 O ATOM 350 CB ALA A 23 15.623 -13.300 16.923 1.00 11.53 C ATOM 0 H ALA A 23 15.339 -10.936 16.316 1.00 45.21 H new ATOM 0 HA ALA A 23 15.324 -13.287 14.804 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.611 -14.387 17.002 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.653 -12.954 16.840 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.165 -12.866 17.812 1.00 11.53 H new ATOM 356 N ALA A 24 12.501 -12.597 16.259 1.00 24.41 N ATOM 357 CA ALA A 24 11.102 -12.994 16.370 1.00 54.51 C ATOM 358 C ALA A 24 10.374 -12.820 15.043 1.00 3.13 C ATOM 359 O ALA A 24 9.556 -13.657 14.657 1.00 23.22 O ATOM 360 CB ALA A 24 10.412 -12.190 17.463 1.00 61.03 C ATOM 0 H ALA A 24 12.701 -11.657 16.600 1.00 24.41 H new ATOM 0 HA ALA A 24 11.070 -14.051 16.635 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.368 -12.496 17.536 1.00 61.03 H new ATOM 0 HB2 ALA A 24 10.910 -12.369 18.416 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.463 -11.128 17.221 1.00 61.03 H new ATOM 366 N THR A 25 10.675 -11.729 14.345 1.00 1.15 N ATOM 367 CA THR A 25 10.048 -11.445 13.061 1.00 53.23 C ATOM 368 C THR A 25 10.206 -12.618 12.101 1.00 30.45 C ATOM 369 O THR A 25 9.243 -13.046 11.466 1.00 63.44 O ATOM 370 CB THR A 25 10.645 -10.180 12.413 1.00 71.03 C ATOM 371 OG1 THR A 25 10.666 -9.107 13.360 1.00 61.13 O ATOM 372 CG2 THR A 25 9.839 -9.770 11.189 1.00 61.04 C ATOM 0 H THR A 25 11.350 -11.027 14.648 1.00 1.15 H new ATOM 0 HA THR A 25 8.988 -11.279 13.255 1.00 53.23 H new ATOM 0 HB THR A 25 11.664 -10.404 12.099 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.129 -8.361 13.020 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.278 -8.875 10.747 1.00 61.04 H new ATOM 0 HG22 THR A 25 9.851 -10.579 10.458 1.00 61.04 H new ATOM 0 HG23 THR A 25 8.810 -9.562 11.484 1.00 61.04 H new ATOM 380 N ALA A 26 11.427 -13.134 11.999 1.00 14.02 N ATOM 381 CA ALA A 26 11.708 -14.260 11.117 1.00 64.04 C ATOM 382 C ALA A 26 11.141 -15.557 11.685 1.00 75.33 C ATOM 383 O ALA A 26 10.506 -16.331 10.970 1.00 62.32 O ATOM 384 CB ALA A 26 13.209 -14.391 10.893 1.00 21.44 C ATOM 0 H ALA A 26 12.236 -12.790 12.516 1.00 14.02 H new ATOM 0 HA ALA A 26 11.223 -14.071 10.159 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.406 -15.236 10.233 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.590 -13.477 10.437 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.707 -14.554 11.849 1.00 21.44 H new ATOM 390 N GLU A 27 11.376 -15.786 12.972 1.00 43.32 N ATOM 391 CA GLU A 27 10.888 -16.991 13.634 1.00 43.14 C ATOM 392 C GLU A 27 9.387 -17.160 13.420 1.00 11.53 C ATOM 393 O GLU A 27 8.875 -18.278 13.383 1.00 74.20 O ATOM 394 CB GLU A 27 11.198 -16.939 15.130 1.00 72.21 C ATOM 395 CG GLU A 27 10.822 -18.210 15.875 1.00 34.42 C ATOM 396 CD GLU A 27 11.651 -19.404 15.447 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.484 -19.859 14.296 1.00 1.45 O ATOM 398 OE2 GLU A 27 12.465 -19.886 16.261 1.00 75.42 O1- ATOM 0 H GLU A 27 11.901 -15.154 13.577 1.00 43.32 H new ATOM 0 HA GLU A 27 11.399 -17.848 13.194 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.263 -16.750 15.265 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.666 -16.097 15.574 1.00 72.21 H new ATOM 0 HG2 GLU A 27 10.948 -18.050 16.946 1.00 34.42 H new ATOM 0 HG3 GLU A 27 9.767 -18.426 15.707 1.00 34.42 H new ATOM 405 N LYS A 28 8.686 -16.039 13.282 1.00 10.53 N ATOM 406 CA LYS A 28 7.243 -16.061 13.072 1.00 11.42 C ATOM 407 C LYS A 28 6.890 -16.813 11.793 1.00 42.33 C ATOM 408 O LYS A 28 5.903 -17.547 11.746 1.00 43.53 O ATOM 409 CB LYS A 28 6.696 -14.632 13.002 1.00 1.23 C ATOM 410 CG LYS A 28 5.217 -14.563 12.671 1.00 4.35 C ATOM 411 CD LYS A 28 4.611 -13.235 13.092 1.00 51.12 C ATOM 412 CE LYS A 28 3.094 -13.255 12.987 1.00 54.21 C ATOM 413 NZ LYS A 28 2.464 -12.243 13.879 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.094 -15.105 13.312 1.00 10.53 H new ATOM 0 HA LYS A 28 6.786 -16.579 13.915 1.00 11.42 H new ATOM 0 HB2 LYS A 28 6.869 -14.138 13.958 1.00 1.23 H new ATOM 0 HB3 LYS A 28 7.254 -14.075 12.250 1.00 1.23 H new ATOM 0 HG2 LYS A 28 5.076 -14.704 11.599 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.693 -15.378 13.171 1.00 4.35 H new ATOM 0 HD2 LYS A 28 4.903 -13.010 14.118 1.00 51.12 H new ATOM 0 HD3 LYS A 28 5.009 -12.437 12.465 1.00 51.12 H new ATOM 0 HE2 LYS A 28 2.799 -13.064 11.955 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.725 -14.247 13.246 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.430 -12.288 13.779 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 2.725 -12.440 14.866 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.796 -11.293 13.616 1.00 52.40 H new ATOM 427 N VAL A 29 7.705 -16.630 10.760 1.00 55.33 N ATOM 428 CA VAL A 29 7.481 -17.295 9.481 1.00 74.14 C ATOM 429 C VAL A 29 8.095 -18.690 9.472 1.00 45.15 C ATOM 430 O VAL A 29 7.511 -19.634 8.940 1.00 41.12 O ATOM 431 CB VAL A 29 8.068 -16.479 8.313 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.805 -17.178 6.989 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.493 -15.071 8.305 1.00 32.35 C ATOM 0 H VAL A 29 8.527 -16.027 10.783 1.00 55.33 H new ATOM 0 HA VAL A 29 6.402 -17.376 9.351 1.00 74.14 H new ATOM 0 HB VAL A 29 9.147 -16.405 8.450 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.227 -16.587 6.176 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.269 -18.164 7.000 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.730 -17.284 6.841 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.919 -14.509 7.474 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.410 -15.121 8.193 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.738 -14.573 9.243 1.00 32.35 H new ATOM 443 N LEU A 30 9.277 -18.813 10.065 1.00 22.41 N ATOM 444 CA LEU A 30 9.973 -20.095 10.126 1.00 71.11 C ATOM 445 C LEU A 30 9.167 -21.113 10.926 1.00 21.34 C ATOM 446 O LEU A 30 8.922 -22.228 10.464 1.00 3.24 O ATOM 447 CB LEU A 30 11.357 -19.917 10.752 1.00 44.45 C ATOM 448 CG LEU A 30 12.297 -18.943 10.038 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.647 -18.896 10.736 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.464 -19.339 8.577 1.00 70.44 C ATOM 0 H LEU A 30 9.774 -18.042 10.510 1.00 22.41 H new ATOM 0 HA LEU A 30 10.087 -20.468 9.108 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.228 -19.578 11.780 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.842 -20.892 10.796 1.00 44.45 H new ATOM 0 HG LEU A 30 11.856 -17.947 10.077 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.302 -18.198 10.214 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.513 -18.566 11.766 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.095 -19.890 10.728 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.135 -18.636 8.084 1.00 70.44 H new ATOM 0 HD22 LEU A 30 12.883 -20.343 8.518 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.493 -19.321 8.082 1.00 70.44 H new ATOM 462 N LYS A 31 8.757 -20.722 12.128 1.00 35.54 N ATOM 463 CA LYS A 31 7.977 -21.600 12.992 1.00 4.33 C ATOM 464 C LYS A 31 6.745 -22.128 12.261 1.00 65.22 C ATOM 465 O LYS A 31 6.257 -23.218 12.559 1.00 4.33 O ATOM 466 CB LYS A 31 7.551 -20.854 14.259 1.00 23.41 C ATOM 467 CG LYS A 31 6.458 -19.825 14.021 1.00 4.34 C ATOM 468 CD LYS A 31 6.256 -18.936 15.236 1.00 42.12 C ATOM 469 CE LYS A 31 4.947 -18.167 15.152 1.00 21.52 C ATOM 470 NZ LYS A 31 4.705 -17.349 16.373 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.952 -19.803 12.526 1.00 35.54 H new ATOM 0 HA LYS A 31 8.604 -22.447 13.270 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.203 -21.577 14.997 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.421 -20.355 14.687 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.717 -19.211 13.158 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.524 -20.333 13.782 1.00 4.34 H new ATOM 0 HD2 LYS A 31 6.264 -19.546 16.140 1.00 42.12 H new ATOM 0 HD3 LYS A 31 7.087 -18.235 15.317 1.00 42.12 H new ATOM 0 HE2 LYS A 31 4.963 -17.517 14.277 1.00 21.52 H new ATOM 0 HE3 LYS A 31 4.123 -18.867 15.014 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 3.803 -16.840 16.277 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 4.664 -17.971 17.205 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 5.478 -16.664 16.491 1.00 51.51 H new ATOM 484 N GLN A 32 6.250 -21.349 11.306 1.00 0.41 N ATOM 485 CA GLN A 32 5.077 -21.739 10.533 1.00 31.03 C ATOM 486 C GLN A 32 5.461 -22.688 9.403 1.00 72.23 C ATOM 487 O GLN A 32 4.758 -23.663 9.133 1.00 71.20 O ATOM 488 CB GLN A 32 4.381 -20.502 9.963 1.00 14.11 C ATOM 489 CG GLN A 32 3.731 -19.627 11.022 1.00 32.21 C ATOM 490 CD GLN A 32 2.354 -20.117 11.421 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.360 -19.823 10.755 1.00 13.23 O ATOM 492 NE2 GLN A 32 2.286 -20.870 12.512 1.00 2.52 N ATOM 0 H GLN A 32 6.643 -20.444 11.049 1.00 0.41 H new ATOM 0 HA GLN A 32 4.389 -22.258 11.200 1.00 31.03 H new ATOM 0 HB2 GLN A 32 5.109 -19.908 9.410 1.00 14.11 H new ATOM 0 HB3 GLN A 32 3.621 -20.820 9.249 1.00 14.11 H new ATOM 0 HG2 GLN A 32 4.371 -19.596 11.904 1.00 32.21 H new ATOM 0 HG3 GLN A 32 3.654 -18.606 10.647 1.00 32.21 H new ATOM 0 HE21 GLN A 32 3.134 -21.089 13.034 1.00 2.52 H new ATOM 0 HE22 GLN A 32 1.385 -21.229 12.828 1.00 2.52 H new ATOM 501 N TYR A 33 6.579 -22.397 8.747 1.00 71.01 N ATOM 502 CA TYR A 33 7.053 -23.225 7.645 1.00 11.44 C ATOM 503 C TYR A 33 7.129 -24.691 8.055 1.00 52.42 C ATOM 504 O TYR A 33 6.541 -25.559 7.411 1.00 14.22 O ATOM 505 CB TYR A 33 8.427 -22.744 7.175 1.00 65.32 C ATOM 506 CG TYR A 33 8.847 -23.320 5.841 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.366 -24.605 5.749 1.00 13.33 C ATOM 508 CD2 TYR A 33 8.726 -22.577 4.673 1.00 51.13 C ATOM 509 CE1 TYR A 33 9.752 -25.135 4.533 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.108 -23.101 3.453 1.00 13.20 C ATOM 511 CZ TYR A 33 9.619 -24.379 3.387 1.00 71.22 C ATOM 512 OH TYR A 33 10.002 -24.902 2.174 1.00 45.24 O ATOM 0 H TYR A 33 7.173 -21.595 8.959 1.00 71.01 H new ATOM 0 HA TYR A 33 6.341 -23.134 6.825 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.417 -21.656 7.105 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.172 -23.008 7.926 1.00 65.32 H new ATOM 0 HD1 TYR A 33 9.470 -25.200 6.644 1.00 13.33 H new ATOM 0 HD2 TYR A 33 8.327 -21.574 4.720 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.156 -26.135 4.480 1.00 41.43 H new ATOM 0 HE2 TYR A 33 9.006 -22.511 2.554 1.00 13.20 H new ATOM 0 HH TYR A 33 9.842 -24.242 1.468 1.00 45.24 H new ATOM 522 N ALA A 34 7.857 -24.960 9.135 1.00 65.10 N ATOM 523 CA ALA A 34 8.007 -26.321 9.634 1.00 15.14 C ATOM 524 C ALA A 34 6.663 -26.899 10.065 1.00 13.42 C ATOM 525 O ALA A 34 6.310 -28.016 9.688 1.00 52.15 O ATOM 526 CB ALA A 34 8.993 -26.351 10.795 1.00 34.13 C ATOM 0 H ALA A 34 8.351 -24.254 9.680 1.00 65.10 H new ATOM 0 HA ALA A 34 8.396 -26.938 8.824 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.096 -27.373 11.159 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.963 -25.986 10.458 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.626 -25.715 11.600 1.00 34.13 H new ATOM 532 N ASN A 35 5.919 -26.133 10.855 1.00 4.40 N ATOM 533 CA ASN A 35 4.615 -26.572 11.337 1.00 31.34 C ATOM 534 C ASN A 35 3.734 -27.034 10.179 1.00 43.03 C ATOM 535 O ASN A 35 3.168 -28.126 10.216 1.00 20.12 O ATOM 536 CB ASN A 35 3.921 -25.438 12.098 1.00 3.41 C ATOM 537 CG ASN A 35 2.472 -25.753 12.409 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.112 -26.907 12.647 1.00 2.23 O ATOM 539 ND2 ASN A 35 1.630 -24.726 12.407 1.00 14.42 N ATOM 0 H ASN A 35 6.197 -25.205 11.175 1.00 4.40 H new ATOM 0 HA ASN A 35 4.770 -27.414 12.012 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.456 -25.248 13.028 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.972 -24.523 11.508 1.00 3.41 H new ATOM 0 HD21 ASN A 35 0.641 -24.877 12.608 1.00 14.42 H new ATOM 0 HD22 ASN A 35 1.972 -23.787 12.204 1.00 14.42 H new ATOM 546 N ASP A 36 3.626 -26.196 9.155 1.00 53.14 N ATOM 547 CA ASP A 36 2.816 -26.519 7.986 1.00 3.55 C ATOM 548 C ASP A 36 3.272 -27.831 7.355 1.00 42.33 C ATOM 549 O ASP A 36 2.452 -28.640 6.924 1.00 4.33 O ATOM 550 CB ASP A 36 2.895 -25.389 6.957 1.00 33.04 C ATOM 551 CG ASP A 36 2.007 -25.639 5.753 1.00 53.01 C ATOM 552 OD1 ASP A 36 2.500 -26.216 4.762 1.00 24.45 O ATOM 553 OD2 ASP A 36 0.818 -25.259 5.806 1.00 4.10 O1- ATOM 0 H ASP A 36 4.089 -25.288 9.110 1.00 53.14 H new ATOM 0 HA ASP A 36 1.782 -26.633 8.311 1.00 3.55 H new ATOM 0 HB2 ASP A 36 2.606 -24.450 7.430 1.00 33.04 H new ATOM 0 HB3 ASP A 36 3.927 -25.274 6.626 1.00 33.04 H new ATOM 558 N ASN A 37 4.584 -28.033 7.304 1.00 42.23 N ATOM 559 CA ASN A 37 5.150 -29.246 6.724 1.00 52.53 C ATOM 560 C ASN A 37 4.911 -30.446 7.636 1.00 42.51 C ATOM 561 O ASN A 37 5.018 -31.594 7.208 1.00 31.02 O ATOM 562 CB ASN A 37 6.649 -29.068 6.479 1.00 15.40 C ATOM 563 CG ASN A 37 6.937 -28.233 5.245 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.278 -27.086 5.140 1.00 60.52 O flip ATOM 565 ND2 ASN A 37 7.744 -28.617 4.398 1.00 73.23 N flip ATOM 0 H ASN A 37 5.276 -27.372 7.657 1.00 42.23 H new ATOM 0 HA ASN A 37 4.653 -29.430 5.772 1.00 52.53 H new ATOM 0 HB2 ASN A 37 7.103 -28.594 7.349 1.00 15.40 H new ATOM 0 HB3 ASN A 37 7.115 -30.047 6.369 1.00 15.40 H new ATOM 0 HD21 ASN A 37 8.228 -29.507 4.521 1.00 73.23 H new ATOM 0 HD22 ASN A 37 7.929 -28.045 3.574 1.00 73.23 H new ATOM 572 N GLY A 38 4.588 -30.171 8.896 1.00 51.42 N ATOM 573 CA GLY A 38 4.341 -31.237 9.848 1.00 22.24 C ATOM 574 C GLY A 38 5.538 -31.514 10.735 1.00 34.14 C ATOM 575 O GLY A 38 5.695 -32.622 11.247 1.00 33.12 O ATOM 0 H GLY A 38 4.493 -29.228 9.274 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.486 -30.973 10.470 1.00 22.24 H new ATOM 0 HA3 GLY A 38 4.075 -32.146 9.309 1.00 22.24 H new ATOM 579 N ILE A 39 6.384 -30.505 10.915 1.00 5.41 N ATOM 580 CA ILE A 39 7.573 -30.646 11.746 1.00 43.12 C ATOM 581 C ILE A 39 7.534 -29.687 12.930 1.00 65.21 C ATOM 582 O ILE A 39 7.448 -28.471 12.756 1.00 75.24 O ATOM 583 CB ILE A 39 8.858 -30.391 10.936 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.963 -31.385 9.778 1.00 32.44 C ATOM 585 CG2 ILE A 39 10.080 -30.489 11.838 1.00 24.24 C ATOM 586 CD1 ILE A 39 8.234 -30.939 8.530 1.00 45.32 C ATOM 0 H ILE A 39 6.268 -29.582 10.497 1.00 5.41 H new ATOM 0 HA ILE A 39 7.581 -31.672 12.113 1.00 43.12 H new ATOM 0 HB ILE A 39 8.815 -29.384 10.522 1.00 74.04 H new ATOM 0 HG12 ILE A 39 10.015 -31.541 9.538 1.00 32.44 H new ATOM 0 HG13 ILE A 39 8.563 -32.347 10.098 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.981 -30.307 11.252 1.00 24.24 H new ATOM 0 HG22 ILE A 39 10.007 -29.746 12.632 1.00 24.24 H new ATOM 0 HG23 ILE A 39 10.129 -31.485 12.277 1.00 24.24 H new ATOM 0 HD11 ILE A 39 8.352 -31.692 7.751 1.00 45.32 H new ATOM 0 HD12 ILE A 39 7.175 -30.811 8.754 1.00 45.32 H new ATOM 0 HD13 ILE A 39 8.649 -29.992 8.185 1.00 45.32 H new ATOM 598 N ASP A 40 7.597 -30.242 14.136 1.00 61.20 N ATOM 599 CA ASP A 40 7.571 -29.436 15.351 1.00 24.44 C ATOM 600 C ASP A 40 8.191 -30.195 16.519 1.00 75.15 C ATOM 601 O ASP A 40 7.779 -31.309 16.840 1.00 21.14 O ATOM 602 CB ASP A 40 6.135 -29.035 15.692 1.00 21.12 C ATOM 603 CG ASP A 40 5.140 -30.137 15.389 1.00 61.13 C ATOM 604 OD1 ASP A 40 4.630 -30.181 14.250 1.00 32.42 O ATOM 605 OD2 ASP A 40 4.868 -30.956 16.292 1.00 33.42 O1- ATOM 0 H ASP A 40 7.666 -31.247 14.298 1.00 61.20 H new ATOM 0 HA ASP A 40 8.159 -28.535 15.173 1.00 24.44 H new ATOM 0 HB2 ASP A 40 6.074 -28.775 16.749 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.866 -28.142 15.128 1.00 21.12 H new ATOM 610 N GLY A 41 9.188 -29.583 17.154 1.00 21.24 N ATOM 611 CA GLY A 41 9.850 -30.216 18.279 1.00 13.12 C ATOM 612 C GLY A 41 10.666 -29.236 19.098 1.00 54.42 C ATOM 613 O GLY A 41 10.191 -28.151 19.431 1.00 31.04 O ATOM 0 H GLY A 41 9.548 -28.661 16.909 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.103 -30.686 18.919 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.501 -31.010 17.914 1.00 13.12 H new ATOM 617 N GLU A 42 11.897 -29.621 19.425 1.00 64.11 N ATOM 618 CA GLU A 42 12.779 -28.766 20.212 1.00 65.43 C ATOM 619 C GLU A 42 13.316 -27.614 19.368 1.00 12.22 C ATOM 620 O GLU A 42 14.253 -27.787 18.589 1.00 14.12 O ATOM 621 CB GLU A 42 13.941 -29.584 20.781 1.00 1.43 C ATOM 622 CG GLU A 42 14.725 -28.856 21.861 1.00 20.13 C ATOM 623 CD GLU A 42 15.740 -29.749 22.545 1.00 40.20 C ATOM 624 OE1 GLU A 42 16.928 -29.365 22.595 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.350 -30.831 23.030 1.00 21.53 O1- ATOM 0 H GLU A 42 12.305 -30.517 19.158 1.00 64.11 H new ATOM 0 HA GLU A 42 12.200 -28.348 21.036 1.00 65.43 H new ATOM 0 HB2 GLU A 42 13.552 -30.516 21.192 1.00 1.43 H new ATOM 0 HB3 GLU A 42 14.618 -29.851 19.970 1.00 1.43 H new ATOM 0 HG2 GLU A 42 15.237 -28.001 21.419 1.00 20.13 H new ATOM 0 HG3 GLU A 42 14.032 -28.463 22.605 1.00 20.13 H new ATOM 632 N TRP A 43 12.717 -26.440 19.532 1.00 12.33 N ATOM 633 CA TRP A 43 13.135 -25.259 18.784 1.00 44.33 C ATOM 634 C TRP A 43 14.245 -24.515 19.519 1.00 24.52 C ATOM 635 O TRP A 43 14.077 -24.103 20.667 1.00 14.53 O ATOM 636 CB TRP A 43 11.944 -24.326 18.556 1.00 25.15 C ATOM 637 CG TRP A 43 11.137 -24.681 17.343 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.137 -25.605 17.265 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.266 -24.116 16.034 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.633 -25.650 15.988 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.310 -24.745 15.213 1.00 4.35 C ATOM 642 CE3 TRP A 43 12.093 -23.138 15.476 1.00 72.51 C ATOM 643 CZ2 TRP A 43 10.162 -24.428 13.865 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.946 -22.825 14.137 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.986 -23.468 13.345 1.00 12.41 C ATOM 0 H TRP A 43 11.942 -26.280 20.175 1.00 12.33 H new ATOM 0 HA TRP A 43 13.520 -25.588 17.819 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.298 -24.351 19.434 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.307 -23.303 18.456 1.00 25.15 H new ATOM 0 HD1 TRP A 43 9.791 -26.213 18.088 1.00 73.03 H new ATOM 0 HE1 TRP A 43 8.878 -26.258 15.669 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.834 -22.635 16.080 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.423 -24.923 13.252 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.582 -22.072 13.695 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.895 -23.200 12.303 1.00 12.41 H new ATOM 656 N THR A 44 15.381 -24.345 18.850 1.00 34.53 N ATOM 657 CA THR A 44 16.519 -23.652 19.440 1.00 65.03 C ATOM 658 C THR A 44 16.856 -22.387 18.660 1.00 54.41 C ATOM 659 O THR A 44 16.440 -22.223 17.514 1.00 30.31 O ATOM 660 CB THR A 44 17.764 -24.557 19.490 1.00 61.21 C ATOM 661 OG1 THR A 44 18.305 -24.721 18.175 1.00 24.22 O ATOM 662 CG2 THR A 44 17.420 -25.919 20.074 1.00 35.31 C ATOM 0 H THR A 44 15.537 -24.678 17.899 1.00 34.53 H new ATOM 0 HA THR A 44 16.233 -23.384 20.457 1.00 65.03 H new ATOM 0 HB THR A 44 18.506 -24.080 20.131 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.651 -25.179 17.607 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.315 -26.541 20.099 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.036 -25.794 21.087 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.662 -26.399 19.455 1.00 35.31 H new ATOM 670 N TYR A 45 17.612 -21.494 19.290 1.00 42.04 N ATOM 671 CA TYR A 45 18.004 -20.240 18.655 1.00 11.43 C ATOM 672 C TYR A 45 19.384 -19.797 19.131 1.00 51.14 C ATOM 673 O TYR A 45 19.682 -19.831 20.325 1.00 5.30 O ATOM 674 CB TYR A 45 16.974 -19.150 18.953 1.00 44.21 C ATOM 675 CG TYR A 45 17.032 -18.635 20.374 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.672 -17.438 20.673 1.00 21.12 C ATOM 677 CD2 TYR A 45 16.448 -19.344 21.416 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.729 -16.965 21.970 1.00 52.42 C ATOM 679 CE2 TYR A 45 16.498 -18.876 22.715 1.00 11.21 C ATOM 680 CZ TYR A 45 17.140 -17.685 22.986 1.00 74.21 C ATOM 681 OH TYR A 45 17.194 -17.218 24.280 1.00 75.43 O ATOM 0 H TYR A 45 17.966 -21.615 20.239 1.00 42.04 H new ATOM 0 HA TYR A 45 18.047 -20.404 17.578 1.00 11.43 H new ATOM 0 HB2 TYR A 45 17.129 -18.317 18.267 1.00 44.21 H new ATOM 0 HB3 TYR A 45 15.976 -19.542 18.758 1.00 44.21 H new ATOM 0 HD1 TYR A 45 18.132 -16.869 19.879 1.00 21.12 H new ATOM 0 HD2 TYR A 45 15.946 -20.277 21.207 1.00 61.13 H new ATOM 0 HE1 TYR A 45 18.233 -16.035 22.186 1.00 52.42 H new ATOM 0 HE2 TYR A 45 16.037 -19.439 23.513 1.00 11.21 H new ATOM 0 HH TYR A 45 16.729 -17.844 24.873 1.00 75.43 H new ATOM 691 N ASP A 46 20.221 -19.380 18.188 1.00 21.33 N ATOM 692 CA ASP A 46 21.569 -18.927 18.509 1.00 1.32 C ATOM 693 C ASP A 46 21.721 -17.433 18.234 1.00 61.15 C ATOM 694 O ASP A 46 21.346 -16.946 17.167 1.00 72.22 O ATOM 695 CB ASP A 46 22.601 -19.713 17.697 1.00 43.44 C ATOM 696 CG ASP A 46 23.156 -20.899 18.462 1.00 51.23 C ATOM 697 OD1 ASP A 46 22.368 -21.588 19.143 1.00 21.34 O ATOM 698 OD2 ASP A 46 24.379 -21.139 18.379 1.00 62.22 O1- ATOM 0 H ASP A 46 19.990 -19.346 17.195 1.00 21.33 H new ATOM 0 HA ASP A 46 21.741 -19.103 19.571 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.142 -20.063 16.772 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.419 -19.050 17.416 1.00 43.44 H new ATOM 703 N ASP A 47 22.270 -16.712 19.206 1.00 41.54 N ATOM 704 CA ASP A 47 22.471 -15.275 19.070 1.00 4.41 C ATOM 705 C ASP A 47 23.837 -14.972 18.464 1.00 62.25 C ATOM 706 O ASP A 47 24.036 -13.924 17.848 1.00 5.11 O ATOM 707 CB ASP A 47 22.339 -14.589 20.431 1.00 71.13 C ATOM 708 CG ASP A 47 22.418 -13.078 20.328 1.00 1.25 C ATOM 709 OD1 ASP A 47 21.742 -12.507 19.446 1.00 61.20 O ATOM 710 OD2 ASP A 47 23.152 -12.466 21.131 1.00 74.15 O1- ATOM 0 H ASP A 47 22.583 -17.100 20.096 1.00 41.54 H new ATOM 0 HA ASP A 47 21.703 -14.888 18.401 1.00 4.41 H new ATOM 0 HB2 ASP A 47 21.389 -14.870 20.886 1.00 71.13 H new ATOM 0 HB3 ASP A 47 23.128 -14.947 21.093 1.00 71.13 H new ATOM 715 N ALA A 48 24.777 -15.894 18.645 1.00 25.10 N ATOM 716 CA ALA A 48 26.124 -15.726 18.114 1.00 40.24 C ATOM 717 C ALA A 48 26.193 -16.136 16.647 1.00 31.42 C ATOM 718 O ALA A 48 26.827 -15.466 15.833 1.00 53.32 O ATOM 719 CB ALA A 48 27.119 -16.531 18.937 1.00 4.21 C ATOM 0 H ALA A 48 24.630 -16.765 19.155 1.00 25.10 H new ATOM 0 HA ALA A 48 26.384 -14.670 18.180 1.00 40.24 H new ATOM 0 HB1 ALA A 48 28.121 -16.397 18.530 1.00 4.21 H new ATOM 0 HB2 ALA A 48 27.098 -16.187 19.971 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.851 -17.587 18.901 1.00 4.21 H new ATOM 725 N THR A 49 25.535 -17.243 16.316 1.00 12.11 N ATOM 726 CA THR A 49 25.524 -17.744 14.947 1.00 74.11 C ATOM 727 C THR A 49 24.311 -17.226 14.183 1.00 70.20 C ATOM 728 O THR A 49 24.279 -17.258 12.953 1.00 32.42 O ATOM 729 CB THR A 49 25.517 -19.284 14.913 1.00 24.41 C ATOM 730 OG1 THR A 49 24.229 -19.778 15.299 1.00 1.21 O ATOM 731 CG2 THR A 49 26.582 -19.851 15.841 1.00 41.21 C ATOM 0 H THR A 49 25.003 -17.809 16.977 1.00 12.11 H new ATOM 0 HA THR A 49 26.434 -17.381 14.470 1.00 74.11 H new ATOM 0 HB THR A 49 25.737 -19.603 13.894 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.233 -20.758 15.273 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.558 -20.940 15.800 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.564 -19.498 15.527 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.388 -19.522 16.862 1.00 41.21 H new ATOM 739 N LYS A 50 23.313 -16.745 14.919 1.00 21.45 N ATOM 740 CA LYS A 50 22.099 -16.217 14.310 1.00 24.50 C ATOM 741 C LYS A 50 21.419 -17.274 13.444 1.00 44.50 C ATOM 742 O LYS A 50 20.916 -16.974 12.362 1.00 62.24 O ATOM 743 CB LYS A 50 22.423 -14.981 13.466 1.00 43.32 C ATOM 744 CG LYS A 50 22.594 -13.714 14.286 1.00 63.34 C ATOM 745 CD LYS A 50 21.267 -13.228 14.845 1.00 34.24 C ATOM 746 CE LYS A 50 21.468 -12.354 16.073 1.00 43.43 C ATOM 747 NZ LYS A 50 22.083 -11.043 15.727 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.322 -16.711 15.938 1.00 21.45 H new ATOM 0 HA LYS A 50 21.415 -15.934 15.110 1.00 24.50 H new ATOM 0 HB2 LYS A 50 23.338 -15.165 12.902 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.626 -14.829 12.739 1.00 43.32 H new ATOM 0 HG2 LYS A 50 23.288 -13.901 15.105 1.00 63.34 H new ATOM 0 HG3 LYS A 50 23.036 -12.935 13.665 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.733 -12.665 14.080 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.644 -14.084 15.104 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.508 -12.187 16.561 1.00 43.43 H new ATOM 0 HE3 LYS A 50 22.103 -12.875 16.789 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 22.203 -10.477 16.591 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 23.011 -11.201 15.285 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 21.465 -10.534 15.063 1.00 51.44 H new ATOM 761 N THR A 51 21.409 -18.512 13.929 1.00 11.32 N ATOM 762 CA THR A 51 20.791 -19.612 13.200 1.00 1.22 C ATOM 763 C THR A 51 19.832 -20.393 14.092 1.00 61.11 C ATOM 764 O THR A 51 20.077 -20.562 15.286 1.00 14.31 O ATOM 765 CB THR A 51 21.851 -20.577 12.637 1.00 32.44 C ATOM 766 OG1 THR A 51 22.717 -19.881 11.731 1.00 5.41 O ATOM 767 CG2 THR A 51 21.192 -21.746 11.920 1.00 11.53 C ATOM 0 H THR A 51 21.822 -18.777 14.823 1.00 11.32 H new ATOM 0 HA THR A 51 20.235 -19.171 12.373 1.00 1.22 H new ATOM 0 HB THR A 51 22.436 -20.966 13.471 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.153 -19.139 12.200 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.960 -22.414 11.531 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.558 -22.291 12.619 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.585 -21.372 11.096 1.00 11.53 H new ATOM 775 N PHE A 52 18.739 -20.867 13.504 1.00 30.20 N ATOM 776 CA PHE A 52 17.742 -21.630 14.246 1.00 4.54 C ATOM 777 C PHE A 52 17.788 -23.105 13.858 1.00 30.30 C ATOM 778 O PHE A 52 17.850 -23.448 12.677 1.00 21.14 O ATOM 779 CB PHE A 52 16.343 -21.067 13.988 1.00 12.04 C ATOM 780 CG PHE A 52 16.138 -19.690 14.551 1.00 74.44 C ATOM 781 CD1 PHE A 52 16.513 -18.568 13.829 1.00 35.05 C ATOM 782 CD2 PHE A 52 15.570 -19.517 15.804 1.00 63.21 C ATOM 783 CE1 PHE A 52 16.325 -17.300 14.345 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.379 -18.252 16.323 1.00 0.41 C ATOM 785 CZ PHE A 52 15.758 -17.141 15.594 1.00 61.44 C ATOM 0 H PHE A 52 18.521 -20.736 12.516 1.00 30.20 H new ATOM 0 HA PHE A 52 17.971 -21.544 15.308 1.00 4.54 H new ATOM 0 HB2 PHE A 52 16.163 -21.042 12.913 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.603 -21.741 14.420 1.00 12.04 H new ATOM 0 HD1 PHE A 52 16.957 -18.686 12.852 1.00 35.05 H new ATOM 0 HD2 PHE A 52 15.274 -20.381 16.380 1.00 63.21 H new ATOM 0 HE1 PHE A 52 16.621 -16.434 13.772 1.00 30.21 H new ATOM 0 HE2 PHE A 52 14.933 -18.131 17.299 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.611 -16.151 16.000 1.00 61.44 H new ATOM 795 N THR A 53 17.758 -23.976 14.864 1.00 0.11 N ATOM 796 CA THR A 53 17.798 -25.414 14.631 1.00 21.01 C ATOM 797 C THR A 53 16.706 -26.129 15.419 1.00 13.54 C ATOM 798 O THR A 53 16.546 -25.908 16.618 1.00 65.33 O ATOM 799 CB THR A 53 19.166 -26.007 15.016 1.00 71.55 C ATOM 800 OG1 THR A 53 20.202 -25.404 14.232 1.00 33.14 O ATOM 801 CG2 THR A 53 19.179 -27.514 14.810 1.00 42.43 C ATOM 0 H THR A 53 17.706 -23.709 15.847 1.00 0.11 H new ATOM 0 HA THR A 53 17.632 -25.567 13.565 1.00 21.01 H new ATOM 0 HB THR A 53 19.343 -25.798 16.071 1.00 71.55 H new ATOM 0 HG1 THR A 53 21.068 -25.786 14.485 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.155 -27.911 15.088 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.410 -27.973 15.432 1.00 42.43 H new ATOM 0 HG23 THR A 53 18.981 -27.740 13.762 1.00 42.43 H new ATOM 809 N VAL A 54 15.957 -26.989 14.736 1.00 41.10 N ATOM 810 CA VAL A 54 14.881 -27.739 15.371 1.00 72.00 C ATOM 811 C VAL A 54 15.190 -29.232 15.396 1.00 45.11 C ATOM 812 O VAL A 54 15.241 -29.884 14.353 1.00 12.34 O ATOM 813 CB VAL A 54 13.539 -27.516 14.650 1.00 0.11 C ATOM 814 CG1 VAL A 54 12.398 -28.143 15.437 1.00 3.22 C ATOM 815 CG2 VAL A 54 13.293 -26.032 14.430 1.00 74.40 C ATOM 0 H VAL A 54 16.076 -27.183 13.742 1.00 41.10 H new ATOM 0 HA VAL A 54 14.801 -27.371 16.394 1.00 72.00 H new ATOM 0 HB VAL A 54 13.586 -28.002 13.675 1.00 0.11 H new ATOM 0 HG11 VAL A 54 11.458 -27.975 14.911 1.00 3.22 H new ATOM 0 HG12 VAL A 54 12.571 -29.215 15.537 1.00 3.22 H new ATOM 0 HG13 VAL A 54 12.346 -27.690 16.427 1.00 3.22 H new ATOM 0 HG21 VAL A 54 12.340 -25.893 13.919 1.00 74.40 H new ATOM 0 HG22 VAL A 54 13.267 -25.521 15.392 1.00 74.40 H new ATOM 0 HG23 VAL A 54 14.095 -25.617 13.820 1.00 74.40 H new ATOM 825 N THR A 55 15.398 -29.767 16.595 1.00 72.33 N ATOM 826 CA THR A 55 15.704 -31.184 16.757 1.00 3.13 C ATOM 827 C THR A 55 14.431 -32.002 16.939 1.00 12.32 C ATOM 828 O THR A 55 13.787 -31.938 17.985 1.00 74.03 O ATOM 829 CB THR A 55 16.633 -31.424 17.961 1.00 4.31 C ATOM 830 OG1 THR A 55 17.668 -30.435 17.986 1.00 72.43 O ATOM 831 CG2 THR A 55 17.251 -32.812 17.900 1.00 14.14 C ATOM 0 H THR A 55 15.360 -29.241 17.468 1.00 72.33 H new ATOM 0 HA THR A 55 16.212 -31.505 15.848 1.00 3.13 H new ATOM 0 HB THR A 55 16.038 -31.349 18.871 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.254 -30.594 18.756 1.00 72.43 H new ATOM 0 HG21 THR A 55 17.903 -32.958 18.761 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.461 -33.563 17.912 1.00 14.14 H new ATOM 0 HG23 THR A 55 17.832 -32.911 16.983 1.00 14.14 H new ATOM 839 N GLU A 56 14.077 -32.774 15.915 1.00 21.23 N ATOM 840 CA GLU A 56 12.882 -33.606 15.964 1.00 55.12 C ATOM 841 C GLU A 56 13.173 -34.940 16.648 1.00 33.02 C ATOM 842 O GLU A 56 12.299 -35.797 16.754 1.00 51.44 O ATOM 843 CB GLU A 56 12.344 -33.850 14.552 1.00 55.30 C ATOM 844 CG GLU A 56 11.607 -32.658 13.967 1.00 43.44 C ATOM 845 CD GLU A 56 12.541 -31.655 13.319 1.00 30.12 C ATOM 846 OE1 GLU A 56 12.774 -30.586 13.921 1.00 71.33 O ATOM 847 OE2 GLU A 56 13.039 -31.938 12.208 1.00 70.21 O1- ATOM 0 H GLU A 56 14.601 -32.840 15.043 1.00 21.23 H new ATOM 0 HA GLU A 56 12.127 -33.077 16.546 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.175 -34.111 13.896 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.672 -34.708 14.572 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.887 -33.008 13.228 1.00 43.44 H new ATOM 0 HG3 GLU A 56 11.040 -32.164 14.756 1.00 43.44 H new