USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 121:sc= 0.196 (180deg=-0.509) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -37:sc= -0.112 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -29:sc= 0.408 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.874 X(o=-0.87,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 153:sc= -0.143 (180deg=-0.623) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.549 -0.050 0.308 1.00 54.01 N ATOM 2 CA LEU A 1 2.283 -0.021 -0.952 1.00 64.20 C ATOM 3 C LEU A 1 2.155 -1.351 -1.688 1.00 21.23 C ATOM 4 O LEU A 1 1.761 -1.393 -2.853 1.00 42.54 O ATOM 5 CB LEU A 1 3.759 0.294 -0.698 1.00 35.33 C ATOM 6 CG LEU A 1 4.089 1.754 -0.387 1.00 22.11 C ATOM 7 CD1 LEU A 1 5.260 1.842 0.580 1.00 61.05 C ATOM 8 CD2 LEU A 1 4.394 2.516 -1.668 1.00 64.02 C ATOM 0 H1 LEU A 1 2.203 0.135 1.095 1.00 54.01 H new ATOM 0 HA LEU A 1 1.853 0.762 -1.577 1.00 64.20 H new ATOM 0 HB2 LEU A 1 4.103 -0.321 0.134 1.00 35.33 H new ATOM 0 HB3 LEU A 1 4.331 -0.008 -1.576 1.00 35.33 H new ATOM 0 HG LEU A 1 3.219 2.211 0.085 1.00 22.11 H new ATOM 0 HD11 LEU A 1 5.481 2.889 0.790 1.00 61.05 H new ATOM 0 HD12 LEU A 1 5.004 1.332 1.509 1.00 61.05 H new ATOM 0 HD13 LEU A 1 6.135 1.369 0.135 1.00 61.05 H new ATOM 0 HD21 LEU A 1 4.627 3.553 -1.428 1.00 64.02 H new ATOM 0 HD22 LEU A 1 5.248 2.059 -2.169 1.00 64.02 H new ATOM 0 HD23 LEU A 1 3.526 2.482 -2.327 1.00 64.02 H new ATOM 20 N VAL A 2 2.488 -2.438 -0.998 1.00 43.31 N ATOM 21 CA VAL A 2 2.407 -3.770 -1.584 1.00 62.15 C ATOM 22 C VAL A 2 0.969 -4.126 -1.943 1.00 32.44 C ATOM 23 O VAL A 2 0.687 -4.572 -3.055 1.00 25.14 O ATOM 24 CB VAL A 2 2.966 -4.840 -0.627 1.00 42.43 C ATOM 25 CG1 VAL A 2 2.851 -6.224 -1.247 1.00 13.10 C ATOM 26 CG2 VAL A 2 4.410 -4.527 -0.265 1.00 64.32 C ATOM 0 H VAL A 2 2.816 -2.421 -0.032 1.00 43.31 H new ATOM 0 HA VAL A 2 3.011 -3.754 -2.491 1.00 62.15 H new ATOM 0 HB VAL A 2 2.375 -4.829 0.289 1.00 42.43 H new ATOM 0 HG11 VAL A 2 3.251 -6.966 -0.556 1.00 13.10 H new ATOM 0 HG12 VAL A 2 1.803 -6.445 -1.451 1.00 13.10 H new ATOM 0 HG13 VAL A 2 3.416 -6.253 -2.179 1.00 13.10 H new ATOM 0 HG21 VAL A 2 4.790 -5.293 0.412 1.00 64.32 H new ATOM 0 HG22 VAL A 2 5.017 -4.510 -1.170 1.00 64.32 H new ATOM 0 HG23 VAL A 2 4.460 -3.554 0.224 1.00 64.32 H new ATOM 36 N ALA A 3 0.061 -3.926 -0.993 1.00 23.14 N ATOM 37 CA ALA A 3 -1.349 -4.224 -1.209 1.00 11.35 C ATOM 38 C ALA A 3 -1.939 -3.331 -2.295 1.00 45.31 C ATOM 39 O ALA A 3 -2.866 -3.726 -3.001 1.00 55.13 O ATOM 40 CB ALA A 3 -2.127 -4.063 0.089 1.00 12.21 C ATOM 0 H ALA A 3 0.277 -3.559 -0.066 1.00 23.14 H new ATOM 0 HA ALA A 3 -1.429 -5.259 -1.543 1.00 11.35 H new ATOM 0 HB1 ALA A 3 -3.179 -4.289 -0.087 1.00 12.21 H new ATOM 0 HB2 ALA A 3 -1.730 -4.747 0.839 1.00 12.21 H new ATOM 0 HB3 ALA A 3 -2.031 -3.038 0.446 1.00 12.21 H new ATOM 46 N TYR A 4 -1.395 -2.126 -2.423 1.00 42.42 N ATOM 47 CA TYR A 4 -1.869 -1.175 -3.422 1.00 73.20 C ATOM 48 C TYR A 4 -1.418 -1.584 -4.821 1.00 31.32 C ATOM 49 O TYR A 4 -2.214 -1.613 -5.759 1.00 22.14 O ATOM 50 CB TYR A 4 -1.360 0.231 -3.101 1.00 14.02 C ATOM 51 CG TYR A 4 -2.418 1.138 -2.514 1.00 1.24 C ATOM 52 CD1 TYR A 4 -3.637 1.323 -3.154 1.00 61.31 C ATOM 53 CD2 TYR A 4 -2.198 1.810 -1.317 1.00 51.24 C ATOM 54 CE1 TYR A 4 -4.605 2.151 -2.622 1.00 14.25 C ATOM 55 CE2 TYR A 4 -3.162 2.640 -0.777 1.00 24.44 C ATOM 56 CZ TYR A 4 -4.363 2.807 -1.433 1.00 13.34 C ATOM 57 OH TYR A 4 -5.326 3.632 -0.898 1.00 51.31 O ATOM 0 H TYR A 4 -0.625 -1.784 -1.847 1.00 42.42 H new ATOM 0 HA TYR A 4 -2.959 -1.174 -3.397 1.00 73.20 H new ATOM 0 HB2 TYR A 4 -0.528 0.156 -2.401 1.00 14.02 H new ATOM 0 HB3 TYR A 4 -0.970 0.684 -4.012 1.00 14.02 H new ATOM 0 HD1 TYR A 4 -3.831 0.810 -4.084 1.00 61.31 H new ATOM 0 HD2 TYR A 4 -1.258 1.681 -0.801 1.00 51.24 H new ATOM 0 HE1 TYR A 4 -5.547 2.284 -3.134 1.00 14.25 H new ATOM 0 HE2 TYR A 4 -2.976 3.155 0.154 1.00 24.44 H new ATOM 0 HH TYR A 4 -4.998 4.016 -0.058 1.00 51.31 H new ATOM 67 N GLY A 5 -0.133 -1.901 -4.952 1.00 74.13 N ATOM 68 CA GLY A 5 0.403 -2.305 -6.239 1.00 21.12 C ATOM 69 C GLY A 5 1.910 -2.157 -6.311 1.00 30.01 C ATOM 70 O GLY A 5 2.576 -2.875 -7.058 1.00 14.12 O ATOM 0 H GLY A 5 0.546 -1.885 -4.191 1.00 74.13 H new ATOM 0 HA2 GLY A 5 0.133 -3.343 -6.432 1.00 21.12 H new ATOM 0 HA3 GLY A 5 -0.056 -1.705 -7.025 1.00 21.12 H new ATOM 74 N ILE A 6 2.449 -1.223 -5.535 1.00 11.03 N ATOM 75 CA ILE A 6 3.886 -0.983 -5.515 1.00 25.14 C ATOM 76 C ILE A 6 4.650 -2.251 -5.149 1.00 63.32 C ATOM 77 O ILE A 6 4.308 -2.939 -4.188 1.00 31.11 O ATOM 78 CB ILE A 6 4.257 0.131 -4.518 1.00 45.23 C ATOM 79 CG1 ILE A 6 3.538 1.431 -4.883 1.00 11.45 C ATOM 80 CG2 ILE A 6 5.764 0.342 -4.496 1.00 21.51 C ATOM 81 CD1 ILE A 6 3.844 1.920 -6.281 1.00 2.21 C ATOM 0 H ILE A 6 1.912 -0.620 -4.912 1.00 11.03 H new ATOM 0 HA ILE A 6 4.167 -0.669 -6.520 1.00 25.14 H new ATOM 0 HB ILE A 6 3.937 -0.172 -3.521 1.00 45.23 H new ATOM 0 HG12 ILE A 6 2.463 1.281 -4.787 1.00 11.45 H new ATOM 0 HG13 ILE A 6 3.817 2.204 -4.167 1.00 11.45 H new ATOM 0 HG21 ILE A 6 6.010 1.132 -3.787 1.00 21.51 H new ATOM 0 HG22 ILE A 6 6.256 -0.583 -4.195 1.00 21.51 H new ATOM 0 HG23 ILE A 6 6.106 0.628 -5.491 1.00 21.51 H new ATOM 0 HD11 ILE A 6 3.300 2.845 -6.470 1.00 2.21 H new ATOM 0 HD12 ILE A 6 4.914 2.102 -6.376 1.00 2.21 H new ATOM 0 HD13 ILE A 6 3.539 1.165 -7.006 1.00 2.21 H new ATOM 93 N ALA A 7 5.688 -2.554 -5.922 1.00 42.23 N ATOM 94 CA ALA A 7 6.504 -3.737 -5.678 1.00 34.11 C ATOM 95 C ALA A 7 6.974 -3.790 -4.228 1.00 44.54 C ATOM 96 O ALA A 7 7.342 -2.768 -3.649 1.00 12.10 O ATOM 97 CB ALA A 7 7.695 -3.761 -6.623 1.00 65.13 C ATOM 0 H ALA A 7 5.984 -1.996 -6.723 1.00 42.23 H new ATOM 0 HA ALA A 7 5.889 -4.617 -5.865 1.00 34.11 H new ATOM 0 HB1 ALA A 7 8.295 -4.650 -6.429 1.00 65.13 H new ATOM 0 HB2 ALA A 7 7.341 -3.780 -7.654 1.00 65.13 H new ATOM 0 HB3 ALA A 7 8.303 -2.871 -6.464 1.00 65.13 H new ATOM 103 N GLN A 8 6.960 -4.986 -3.649 1.00 52.33 N ATOM 104 CA GLN A 8 7.384 -5.170 -2.267 1.00 3.45 C ATOM 105 C GLN A 8 8.883 -4.925 -2.120 1.00 34.11 C ATOM 106 O GLN A 8 9.327 -4.285 -1.168 1.00 40.11 O ATOM 107 CB GLN A 8 7.036 -6.580 -1.787 1.00 65.13 C ATOM 108 CG GLN A 8 7.630 -7.680 -2.652 1.00 60.24 C ATOM 109 CD GLN A 8 6.767 -8.926 -2.686 1.00 53.11 C ATOM 110 OE1 GLN A 8 5.698 -8.938 -3.297 1.00 72.03 O ATOM 111 NE2 GLN A 8 7.227 -9.983 -2.028 1.00 32.32 N ATOM 0 H GLN A 8 6.660 -5.842 -4.116 1.00 52.33 H new ATOM 0 HA GLN A 8 6.853 -4.444 -1.651 1.00 3.45 H new ATOM 0 HB2 GLN A 8 7.389 -6.704 -0.763 1.00 65.13 H new ATOM 0 HB3 GLN A 8 5.952 -6.691 -1.766 1.00 65.13 H new ATOM 0 HG2 GLN A 8 7.763 -7.307 -3.667 1.00 60.24 H new ATOM 0 HG3 GLN A 8 8.620 -7.938 -2.276 1.00 60.24 H new ATOM 0 HE21 GLN A 8 8.118 -9.929 -1.535 1.00 32.32 H new ATOM 0 HE22 GLN A 8 6.689 -10.850 -2.015 1.00 32.32 H new ATOM 120 N GLY A 9 9.657 -5.440 -3.070 1.00 22.20 N ATOM 121 CA GLY A 9 11.098 -5.267 -3.028 1.00 35.45 C ATOM 122 C GLY A 9 11.505 -3.809 -2.969 1.00 51.50 C ATOM 123 O GLY A 9 12.295 -3.410 -2.113 1.00 25.01 O ATOM 0 H GLY A 9 9.313 -5.974 -3.868 1.00 22.20 H new ATOM 0 HA2 GLY A 9 11.498 -5.788 -2.158 1.00 35.45 H new ATOM 0 HA3 GLY A 9 11.542 -5.730 -3.909 1.00 35.45 H new ATOM 127 N THR A 10 10.966 -3.008 -3.883 1.00 54.21 N ATOM 128 CA THR A 10 11.280 -1.586 -3.934 1.00 55.41 C ATOM 129 C THR A 10 10.582 -0.828 -2.810 1.00 52.13 C ATOM 130 O THR A 10 11.099 0.168 -2.306 1.00 41.53 O ATOM 131 CB THR A 10 10.871 -0.968 -5.285 1.00 21.21 C ATOM 132 OG1 THR A 10 11.566 -1.622 -6.353 1.00 32.34 O ATOM 133 CG2 THR A 10 11.175 0.522 -5.313 1.00 5.01 C ATOM 0 H THR A 10 10.309 -3.321 -4.598 1.00 54.21 H new ATOM 0 HA THR A 10 12.360 -1.497 -3.814 1.00 55.41 H new ATOM 0 HB THR A 10 9.797 -1.106 -5.412 1.00 21.21 H new ATOM 0 HG1 THR A 10 11.299 -1.225 -7.208 1.00 32.34 H new ATOM 0 HG21 THR A 10 10.878 0.936 -6.277 1.00 5.01 H new ATOM 0 HG22 THR A 10 10.622 1.021 -4.517 1.00 5.01 H new ATOM 0 HG23 THR A 10 12.244 0.678 -5.165 1.00 5.01 H new ATOM 141 N ALA A 11 9.405 -1.307 -2.422 1.00 33.14 N ATOM 142 CA ALA A 11 8.638 -0.676 -1.355 1.00 15.00 C ATOM 143 C ALA A 11 9.491 -0.480 -0.107 1.00 21.34 C ATOM 144 O ALA A 11 9.499 0.597 0.488 1.00 50.13 O ATOM 145 CB ALA A 11 7.405 -1.506 -1.029 1.00 71.31 C ATOM 0 H ALA A 11 8.962 -2.130 -2.830 1.00 33.14 H new ATOM 0 HA ALA A 11 8.319 0.307 -1.703 1.00 15.00 H new ATOM 0 HB1 ALA A 11 6.842 -1.023 -0.231 1.00 71.31 H new ATOM 0 HB2 ALA A 11 6.778 -1.590 -1.916 1.00 71.31 H new ATOM 0 HB3 ALA A 11 7.711 -2.501 -0.706 1.00 71.31 H new ATOM 151 N GLU A 12 10.208 -1.529 0.285 1.00 34.32 N ATOM 152 CA GLU A 12 11.063 -1.472 1.465 1.00 42.54 C ATOM 153 C GLU A 12 12.040 -0.302 1.372 1.00 74.53 C ATOM 154 O GLU A 12 12.167 0.491 2.304 1.00 12.14 O ATOM 155 CB GLU A 12 11.835 -2.783 1.627 1.00 13.11 C ATOM 156 CG GLU A 12 10.958 -3.960 2.022 1.00 43.23 C ATOM 157 CD GLU A 12 11.567 -5.295 1.639 1.00 40.34 C ATOM 158 OE1 GLU A 12 12.810 -5.410 1.663 1.00 1.43 O ATOM 159 OE2 GLU A 12 10.799 -6.225 1.314 1.00 2.13 O ATOM 0 H GLU A 12 10.214 -2.428 -0.197 1.00 34.32 H new ATOM 0 HA GLU A 12 10.426 -1.324 2.337 1.00 42.54 H new ATOM 0 HB2 GLU A 12 12.341 -3.016 0.690 1.00 13.11 H new ATOM 0 HB3 GLU A 12 12.610 -2.648 2.382 1.00 13.11 H new ATOM 0 HG2 GLU A 12 10.789 -3.937 3.099 1.00 43.23 H new ATOM 0 HG3 GLU A 12 9.984 -3.859 1.544 1.00 43.23 H new ATOM 166 N LYS A 13 12.728 -0.203 0.240 1.00 41.03 N ATOM 167 CA LYS A 13 13.693 0.868 0.022 1.00 1.21 C ATOM 168 C LYS A 13 13.000 2.226 -0.012 1.00 12.50 C ATOM 169 O LYS A 13 13.479 3.194 0.580 1.00 54.14 O ATOM 170 CB LYS A 13 14.454 0.639 -1.286 1.00 1.23 C ATOM 171 CG LYS A 13 15.820 1.302 -1.319 1.00 2.33 C ATOM 172 CD LYS A 13 16.670 0.772 -2.461 1.00 50.03 C ATOM 173 CE LYS A 13 17.288 -0.575 -2.118 1.00 52.20 C ATOM 174 NZ LYS A 13 18.575 -0.424 -1.384 1.00 51.24 N ATOM 0 H LYS A 13 12.635 -0.852 -0.541 1.00 41.03 H new ATOM 0 HA LYS A 13 14.399 0.861 0.852 1.00 1.21 H new ATOM 0 HB2 LYS A 13 14.576 -0.433 -1.443 1.00 1.23 H new ATOM 0 HB3 LYS A 13 13.856 1.017 -2.115 1.00 1.23 H new ATOM 0 HG2 LYS A 13 15.700 2.380 -1.424 1.00 2.33 H new ATOM 0 HG3 LYS A 13 16.332 1.129 -0.372 1.00 2.33 H new ATOM 0 HD2 LYS A 13 16.057 0.675 -3.357 1.00 50.03 H new ATOM 0 HD3 LYS A 13 17.459 1.488 -2.691 1.00 50.03 H new ATOM 0 HE2 LYS A 13 16.589 -1.151 -1.511 1.00 52.20 H new ATOM 0 HE3 LYS A 13 17.457 -1.141 -3.034 1.00 52.20 H new ATOM 0 HZ1 LYS A 13 18.964 -1.364 -1.169 1.00 51.24 H new ATOM 0 HZ2 LYS A 13 19.251 0.104 -1.973 1.00 51.24 H new ATOM 0 HZ3 LYS A 13 18.410 0.094 -0.497 1.00 51.24 H new ATOM 188 N VAL A 14 11.869 2.291 -0.707 1.00 54.22 N ATOM 189 CA VAL A 14 11.108 3.530 -0.816 1.00 10.30 C ATOM 190 C VAL A 14 10.744 4.074 0.561 1.00 53.21 C ATOM 191 O VAL A 14 10.705 5.287 0.771 1.00 25.43 O ATOM 192 CB VAL A 14 9.818 3.327 -1.633 1.00 44.33 C ATOM 193 CG1 VAL A 14 9.024 4.623 -1.709 1.00 24.42 C ATOM 194 CG2 VAL A 14 10.147 2.812 -3.026 1.00 73.43 C ATOM 0 H VAL A 14 11.459 1.500 -1.203 1.00 54.22 H new ATOM 0 HA VAL A 14 11.746 4.249 -1.331 1.00 10.30 H new ATOM 0 HB VAL A 14 9.203 2.581 -1.130 1.00 44.33 H new ATOM 0 HG11 VAL A 14 8.116 4.460 -2.290 1.00 24.42 H new ATOM 0 HG12 VAL A 14 8.758 4.946 -0.703 1.00 24.42 H new ATOM 0 HG13 VAL A 14 9.629 5.393 -2.189 1.00 24.42 H new ATOM 0 HG21 VAL A 14 9.225 2.674 -3.590 1.00 73.43 H new ATOM 0 HG22 VAL A 14 10.782 3.533 -3.540 1.00 73.43 H new ATOM 0 HG23 VAL A 14 10.670 1.859 -2.947 1.00 73.43 H new ATOM 204 N VAL A 15 10.477 3.169 1.497 1.00 13.00 N ATOM 205 CA VAL A 15 10.117 3.557 2.855 1.00 12.45 C ATOM 206 C VAL A 15 11.181 4.460 3.469 1.00 10.31 C ATOM 207 O VAL A 15 10.878 5.324 4.292 1.00 33.34 O ATOM 208 CB VAL A 15 9.922 2.325 3.759 1.00 52.04 C ATOM 209 CG1 VAL A 15 9.580 2.752 5.178 1.00 74.31 C ATOM 210 CG2 VAL A 15 8.843 1.415 3.192 1.00 54.12 C ATOM 0 H VAL A 15 10.503 2.162 1.339 1.00 13.00 H new ATOM 0 HA VAL A 15 9.175 4.102 2.788 1.00 12.45 H new ATOM 0 HB VAL A 15 10.857 1.766 3.790 1.00 52.04 H new ATOM 0 HG11 VAL A 15 9.446 1.868 5.802 1.00 74.31 H new ATOM 0 HG12 VAL A 15 10.390 3.360 5.580 1.00 74.31 H new ATOM 0 HG13 VAL A 15 8.658 3.334 5.171 1.00 74.31 H new ATOM 0 HG21 VAL A 15 8.718 0.550 3.843 1.00 54.12 H new ATOM 0 HG22 VAL A 15 7.902 1.961 3.130 1.00 54.12 H new ATOM 0 HG23 VAL A 15 9.135 1.081 2.196 1.00 54.12 H new ATOM 220 N SER A 16 12.430 4.255 3.062 1.00 14.12 N ATOM 221 CA SER A 16 13.541 5.049 3.574 1.00 34.45 C ATOM 222 C SER A 16 13.334 6.530 3.275 1.00 54.21 C ATOM 223 O SER A 16 13.589 7.388 4.121 1.00 54.40 O ATOM 224 CB SER A 16 14.860 4.572 2.963 1.00 53.51 C ATOM 225 OG SER A 16 15.954 4.878 3.810 1.00 60.22 O ATOM 0 H SER A 16 12.698 3.546 2.379 1.00 14.12 H new ATOM 0 HA SER A 16 13.581 4.918 4.655 1.00 34.45 H new ATOM 0 HB2 SER A 16 14.818 3.496 2.793 1.00 53.51 H new ATOM 0 HB3 SER A 16 15.006 5.043 1.991 1.00 53.51 H new ATOM 0 HG SER A 16 16.785 4.562 3.398 1.00 60.22 H new ATOM 231 N LEU A 17 12.870 6.823 2.065 1.00 13.31 N ATOM 232 CA LEU A 17 12.628 8.201 1.652 1.00 55.23 C ATOM 233 C LEU A 17 11.414 8.780 2.372 1.00 51.43 C ATOM 234 O LEU A 17 11.417 9.943 2.776 1.00 12.52 O ATOM 235 CB LEU A 17 12.418 8.271 0.138 1.00 21.01 C ATOM 236 CG LEU A 17 13.657 8.596 -0.697 1.00 3.03 C ATOM 237 CD1 LEU A 17 14.143 10.007 -0.404 1.00 23.04 C ATOM 238 CD2 LEU A 17 14.761 7.583 -0.429 1.00 43.41 C ATOM 0 H LEU A 17 12.654 6.125 1.353 1.00 13.31 H new ATOM 0 HA LEU A 17 13.503 8.793 1.919 1.00 55.23 H new ATOM 0 HB2 LEU A 17 12.019 7.314 -0.198 1.00 21.01 H new ATOM 0 HB3 LEU A 17 11.657 9.024 -0.069 1.00 21.01 H new ATOM 0 HG LEU A 17 13.387 8.539 -1.751 1.00 3.03 H new ATOM 0 HD11 LEU A 17 15.025 10.221 -1.007 1.00 23.04 H new ATOM 0 HD12 LEU A 17 13.356 10.721 -0.647 1.00 23.04 H new ATOM 0 HD13 LEU A 17 14.397 10.092 0.653 1.00 23.04 H new ATOM 0 HD21 LEU A 17 15.635 7.830 -1.032 1.00 43.41 H new ATOM 0 HD22 LEU A 17 15.029 7.608 0.627 1.00 43.41 H new ATOM 0 HD23 LEU A 17 14.410 6.585 -0.690 1.00 43.41 H new ATOM 250 N ILE A 18 10.380 7.961 2.530 1.00 53.43 N ATOM 251 CA ILE A 18 9.161 8.392 3.204 1.00 22.20 C ATOM 252 C ILE A 18 9.426 8.703 4.673 1.00 24.11 C ATOM 253 O ILE A 18 9.023 9.749 5.179 1.00 40.10 O ATOM 254 CB ILE A 18 8.057 7.322 3.109 1.00 42.24 C ATOM 255 CG1 ILE A 18 7.873 6.876 1.657 1.00 53.54 C ATOM 256 CG2 ILE A 18 6.750 7.858 3.674 1.00 63.00 C ATOM 257 CD1 ILE A 18 6.809 5.815 1.481 1.00 42.23 C ATOM 0 H ILE A 18 10.362 6.996 2.201 1.00 53.43 H new ATOM 0 HA ILE A 18 8.824 9.297 2.698 1.00 22.20 H new ATOM 0 HB ILE A 18 8.358 6.457 3.700 1.00 42.24 H new ATOM 0 HG12 ILE A 18 7.614 7.743 1.049 1.00 53.54 H new ATOM 0 HG13 ILE A 18 8.822 6.494 1.280 1.00 53.54 H new ATOM 0 HG21 ILE A 18 5.980 7.090 3.600 1.00 63.00 H new ATOM 0 HG22 ILE A 18 6.891 8.131 4.720 1.00 63.00 H new ATOM 0 HG23 ILE A 18 6.442 8.737 3.108 1.00 63.00 H new ATOM 0 HD11 ILE A 18 6.733 5.547 0.427 1.00 42.23 H new ATOM 0 HD12 ILE A 18 7.076 4.932 2.062 1.00 42.23 H new ATOM 0 HD13 ILE A 18 5.850 6.200 1.827 1.00 42.23 H new ATOM 269 N ASN A 19 10.109 7.787 5.352 1.00 3.03 N ATOM 270 CA ASN A 19 10.430 7.964 6.764 1.00 42.01 C ATOM 271 C ASN A 19 11.245 9.235 6.981 1.00 3.33 C ATOM 272 O ASN A 19 11.194 9.843 8.050 1.00 33.33 O ATOM 273 CB ASN A 19 11.204 6.753 7.288 1.00 21.32 C ATOM 274 CG ASN A 19 11.420 6.810 8.788 1.00 25.11 C ATOM 275 OD1 ASN A 19 10.484 7.038 9.553 1.00 15.24 O ATOM 276 ND2 ASN A 19 12.661 6.602 9.215 1.00 14.42 N ATOM 0 H ASN A 19 10.451 6.915 4.948 1.00 3.03 H new ATOM 0 HA ASN A 19 9.494 8.055 7.315 1.00 42.01 H new ATOM 0 HB2 ASN A 19 10.662 5.842 7.036 1.00 21.32 H new ATOM 0 HB3 ASN A 19 12.170 6.698 6.786 1.00 21.32 H new ATOM 0 HD21 ASN A 19 12.868 6.628 10.213 1.00 14.42 H new ATOM 0 HD22 ASN A 19 13.407 6.416 8.544 1.00 14.42 H new ATOM 283 N ALA A 20 11.997 9.632 5.959 1.00 32.33 N ATOM 284 CA ALA A 20 12.821 10.832 6.037 1.00 34.32 C ATOM 285 C ALA A 20 11.958 12.081 6.180 1.00 44.32 C ATOM 286 O ALA A 20 12.432 13.128 6.620 1.00 24.54 O ATOM 287 CB ALA A 20 13.712 10.940 4.809 1.00 50.51 C ATOM 0 H ALA A 20 12.052 9.140 5.067 1.00 32.33 H new ATOM 0 HA ALA A 20 13.451 10.755 6.923 1.00 34.32 H new ATOM 0 HB1 ALA A 20 14.322 11.841 4.880 1.00 50.51 H new ATOM 0 HB2 ALA A 20 14.361 10.066 4.752 1.00 50.51 H new ATOM 0 HB3 ALA A 20 13.093 10.991 3.913 1.00 50.51 H new ATOM 293 N GLY A 21 10.688 11.965 5.803 1.00 25.10 N ATOM 294 CA GLY A 21 9.781 13.093 5.896 1.00 13.31 C ATOM 295 C GLY A 21 9.658 13.848 4.587 1.00 2.24 C ATOM 296 O GLY A 21 9.134 14.962 4.551 1.00 3.53 O ATOM 0 H GLY A 21 10.272 11.110 5.435 1.00 25.10 H new ATOM 0 HA2 GLY A 21 8.796 12.739 6.202 1.00 13.31 H new ATOM 0 HA3 GLY A 21 10.131 13.773 6.673 1.00 13.31 H new ATOM 300 N LEU A 22 10.143 13.243 3.509 1.00 24.53 N ATOM 301 CA LEU A 22 10.087 13.865 2.191 1.00 4.53 C ATOM 302 C LEU A 22 8.673 13.810 1.622 1.00 2.15 C ATOM 303 O LEU A 22 7.990 12.790 1.725 1.00 41.52 O ATOM 304 CB LEU A 22 11.061 13.173 1.236 1.00 20.33 C ATOM 305 CG LEU A 22 12.480 13.741 1.195 1.00 11.42 C ATOM 306 CD1 LEU A 22 12.488 15.108 0.528 1.00 21.01 C ATOM 307 CD2 LEU A 22 13.061 13.828 2.599 1.00 33.41 C ATOM 0 H LEU A 22 10.580 12.321 3.522 1.00 24.53 H new ATOM 0 HA LEU A 22 10.375 14.911 2.298 1.00 4.53 H new ATOM 0 HB2 LEU A 22 11.121 12.120 1.510 1.00 20.33 H new ATOM 0 HB3 LEU A 22 10.645 13.217 0.230 1.00 20.33 H new ATOM 0 HG LEU A 22 13.103 13.068 0.607 1.00 11.42 H new ATOM 0 HD11 LEU A 22 13.506 15.497 0.508 1.00 21.01 H new ATOM 0 HD12 LEU A 22 12.114 15.017 -0.492 1.00 21.01 H new ATOM 0 HD13 LEU A 22 11.850 15.791 1.089 1.00 21.01 H new ATOM 0 HD21 LEU A 22 14.071 14.234 2.550 1.00 33.41 H new ATOM 0 HD22 LEU A 22 12.437 14.479 3.211 1.00 33.41 H new ATOM 0 HD23 LEU A 22 13.091 12.833 3.043 1.00 33.41 H new ATOM 319 N THR A 23 8.239 14.913 1.020 1.00 4.12 N ATOM 320 CA THR A 23 6.907 14.990 0.434 1.00 44.22 C ATOM 321 C THR A 23 6.850 14.255 -0.900 1.00 64.51 C ATOM 322 O THR A 23 7.882 13.885 -1.461 1.00 70.32 O ATOM 323 CB THR A 23 6.472 16.452 0.220 1.00 55.01 C ATOM 324 OG1 THR A 23 7.437 17.138 -0.585 1.00 53.21 O ATOM 325 CG2 THR A 23 6.312 17.170 1.552 1.00 63.43 C ATOM 0 H THR A 23 8.791 15.765 0.926 1.00 4.12 H new ATOM 0 HA THR A 23 6.224 14.514 1.138 1.00 44.22 H new ATOM 0 HB THR A 23 5.509 16.450 -0.291 1.00 55.01 H new ATOM 0 HG1 THR A 23 7.152 18.066 -0.718 1.00 53.21 H new ATOM 0 HG21 THR A 23 6.004 18.201 1.375 1.00 63.43 H new ATOM 0 HG22 THR A 23 5.555 16.663 2.150 1.00 63.43 H new ATOM 0 HG23 THR A 23 7.262 17.162 2.086 1.00 63.43 H new ATOM 333 N VAL A 24 5.638 14.045 -1.404 1.00 43.41 N ATOM 334 CA VAL A 24 5.447 13.355 -2.674 1.00 40.00 C ATOM 335 C VAL A 24 6.309 13.972 -3.770 1.00 21.51 C ATOM 336 O VAL A 24 6.732 13.287 -4.700 1.00 63.13 O ATOM 337 CB VAL A 24 3.972 13.391 -3.116 1.00 32.55 C ATOM 338 CG1 VAL A 24 3.552 14.811 -3.462 1.00 60.22 C ATOM 339 CG2 VAL A 24 3.746 12.456 -4.295 1.00 4.33 C ATOM 0 H VAL A 24 4.774 14.343 -0.952 1.00 43.41 H new ATOM 0 HA VAL A 24 5.747 12.319 -2.519 1.00 40.00 H new ATOM 0 HB VAL A 24 3.354 13.048 -2.286 1.00 32.55 H new ATOM 0 HG11 VAL A 24 2.507 14.816 -3.772 1.00 60.22 H new ATOM 0 HG12 VAL A 24 3.674 15.450 -2.587 1.00 60.22 H new ATOM 0 HG13 VAL A 24 4.173 15.186 -4.275 1.00 60.22 H new ATOM 0 HG21 VAL A 24 2.699 12.494 -4.594 1.00 4.33 H new ATOM 0 HG22 VAL A 24 4.373 12.766 -5.131 1.00 4.33 H new ATOM 0 HG23 VAL A 24 4.004 11.437 -4.006 1.00 4.33 H new ATOM 349 N GLY A 25 6.566 15.271 -3.653 1.00 22.13 N ATOM 350 CA GLY A 25 7.377 15.959 -4.640 1.00 63.42 C ATOM 351 C GLY A 25 8.720 15.289 -4.856 1.00 72.30 C ATOM 352 O GLY A 25 9.099 14.993 -5.989 1.00 54.34 O ATOM 0 H GLY A 25 6.227 15.859 -2.892 1.00 22.13 H new ATOM 0 HA2 GLY A 25 6.837 15.998 -5.586 1.00 63.42 H new ATOM 0 HA3 GLY A 25 7.535 16.989 -4.321 1.00 63.42 H new ATOM 356 N SER A 26 9.442 15.050 -3.766 1.00 63.22 N ATOM 357 CA SER A 26 10.753 14.416 -3.842 1.00 22.40 C ATOM 358 C SER A 26 10.634 12.980 -4.343 1.00 73.52 C ATOM 359 O SER A 26 11.567 12.438 -4.937 1.00 1.24 O ATOM 360 CB SER A 26 11.432 14.434 -2.471 1.00 43.52 C ATOM 361 OG SER A 26 12.842 14.380 -2.600 1.00 5.51 O ATOM 0 H SER A 26 9.141 15.286 -2.820 1.00 63.22 H new ATOM 0 HA SER A 26 11.361 14.980 -4.549 1.00 22.40 H new ATOM 0 HB2 SER A 26 11.147 15.338 -1.932 1.00 43.52 H new ATOM 0 HB3 SER A 26 11.085 13.587 -1.879 1.00 43.52 H new ATOM 0 HG SER A 26 13.080 13.785 -3.341 1.00 5.51 H new ATOM 367 N ILE A 27 9.479 12.369 -4.100 1.00 20.10 N ATOM 368 CA ILE A 27 9.236 10.997 -4.527 1.00 64.51 C ATOM 369 C ILE A 27 9.173 10.897 -6.047 1.00 65.14 C ATOM 370 O ILE A 27 9.844 10.060 -6.653 1.00 1.32 O ATOM 371 CB ILE A 27 7.927 10.445 -3.933 1.00 54.31 C ATOM 372 CG1 ILE A 27 7.892 10.673 -2.420 1.00 74.25 C ATOM 373 CG2 ILE A 27 7.780 8.966 -4.255 1.00 65.33 C ATOM 374 CD1 ILE A 27 8.946 9.892 -1.668 1.00 10.15 C ATOM 0 H ILE A 27 8.697 12.803 -3.610 1.00 20.10 H new ATOM 0 HA ILE A 27 10.071 10.401 -4.160 1.00 64.51 H new ATOM 0 HB ILE A 27 7.089 10.978 -4.382 1.00 54.31 H new ATOM 0 HG12 ILE A 27 8.025 11.736 -2.218 1.00 74.25 H new ATOM 0 HG13 ILE A 27 6.908 10.397 -2.042 1.00 74.25 H new ATOM 0 HG21 ILE A 27 6.850 8.591 -3.828 1.00 65.33 H new ATOM 0 HG22 ILE A 27 7.764 8.829 -5.336 1.00 65.33 H new ATOM 0 HG23 ILE A 27 8.621 8.416 -3.832 1.00 65.33 H new ATOM 0 HD11 ILE A 27 8.863 10.102 -0.602 1.00 10.15 H new ATOM 0 HD12 ILE A 27 8.801 8.826 -1.840 1.00 10.15 H new ATOM 0 HD13 ILE A 27 9.935 10.185 -2.019 1.00 10.15 H new ATOM 386 N ILE A 28 8.365 11.757 -6.658 1.00 63.32 N ATOM 387 CA ILE A 28 8.217 11.767 -8.108 1.00 44.42 C ATOM 388 C ILE A 28 9.572 11.883 -8.798 1.00 44.41 C ATOM 389 O ILE A 28 9.805 11.269 -9.839 1.00 50.32 O ATOM 390 CB ILE A 28 7.316 12.926 -8.574 1.00 0.23 C ATOM 391 CG1 ILE A 28 5.933 12.817 -7.928 1.00 22.40 C ATOM 392 CG2 ILE A 28 7.199 12.930 -10.091 1.00 5.14 C ATOM 393 CD1 ILE A 28 5.235 11.506 -8.214 1.00 71.41 C ATOM 0 H ILE A 28 7.803 12.456 -6.172 1.00 63.32 H new ATOM 0 HA ILE A 28 7.751 10.821 -8.384 1.00 44.42 H new ATOM 0 HB ILE A 28 7.769 13.867 -8.262 1.00 0.23 H new ATOM 0 HG12 ILE A 28 6.034 12.938 -6.849 1.00 22.40 H new ATOM 0 HG13 ILE A 28 5.309 13.637 -8.284 1.00 22.40 H new ATOM 0 HG21 ILE A 28 6.559 13.755 -10.404 1.00 5.14 H new ATOM 0 HG22 ILE A 28 8.189 13.051 -10.532 1.00 5.14 H new ATOM 0 HG23 ILE A 28 6.765 11.987 -10.425 1.00 5.14 H new ATOM 0 HD11 ILE A 28 4.261 11.498 -7.725 1.00 71.41 H new ATOM 0 HD12 ILE A 28 5.102 11.392 -9.290 1.00 71.41 H new ATOM 0 HD13 ILE A 28 5.838 10.682 -7.833 1.00 71.41 H new ATOM 405 N SER A 29 10.464 12.674 -8.210 1.00 2.14 N ATOM 406 CA SER A 29 11.796 12.872 -8.768 1.00 43.55 C ATOM 407 C SER A 29 12.581 11.564 -8.781 1.00 74.12 C ATOM 408 O SER A 29 13.346 11.296 -9.707 1.00 65.24 O ATOM 409 CB SER A 29 12.557 13.929 -7.965 1.00 25.42 C ATOM 410 OG SER A 29 11.910 15.187 -8.034 1.00 51.15 O ATOM 0 H SER A 29 10.288 13.188 -7.347 1.00 2.14 H new ATOM 0 HA SER A 29 11.684 13.218 -9.796 1.00 43.55 H new ATOM 0 HB2 SER A 29 12.635 13.613 -6.925 1.00 25.42 H new ATOM 0 HB3 SER A 29 13.574 14.018 -8.348 1.00 25.42 H new ATOM 0 HG SER A 29 12.416 15.844 -7.511 1.00 51.15 H new ATOM 416 N ILE A 30 12.383 10.753 -7.747 1.00 5.41 N ATOM 417 CA ILE A 30 13.071 9.473 -7.639 1.00 32.50 C ATOM 418 C ILE A 30 12.431 8.427 -8.547 1.00 3.33 C ATOM 419 O ILE A 30 13.121 7.589 -9.129 1.00 41.54 O ATOM 420 CB ILE A 30 13.064 8.951 -6.190 1.00 24.40 C ATOM 421 CG1 ILE A 30 13.735 9.962 -5.258 1.00 30.33 C ATOM 422 CG2 ILE A 30 13.765 7.602 -6.110 1.00 13.44 C ATOM 423 CD1 ILE A 30 15.203 10.174 -5.552 1.00 65.23 C ATOM 0 H ILE A 30 11.752 10.960 -6.973 1.00 5.41 H new ATOM 0 HA ILE A 30 14.102 9.641 -7.951 1.00 32.50 H new ATOM 0 HB ILE A 30 12.030 8.821 -5.871 1.00 24.40 H new ATOM 0 HG12 ILE A 30 13.216 10.917 -5.337 1.00 30.33 H new ATOM 0 HG13 ILE A 30 13.624 9.623 -4.228 1.00 30.33 H new ATOM 0 HG21 ILE A 30 13.752 7.246 -5.080 1.00 13.44 H new ATOM 0 HG22 ILE A 30 13.249 6.885 -6.748 1.00 13.44 H new ATOM 0 HG23 ILE A 30 14.797 7.708 -6.444 1.00 13.44 H new ATOM 0 HD11 ILE A 30 15.613 10.903 -4.853 1.00 65.23 H new ATOM 0 HD12 ILE A 30 15.736 9.229 -5.445 1.00 65.23 H new ATOM 0 HD13 ILE A 30 15.320 10.543 -6.571 1.00 65.23 H new ATOM 435 N LEU A 31 11.109 8.483 -8.664 1.00 43.10 N ATOM 436 CA LEU A 31 10.375 7.542 -9.503 1.00 42.21 C ATOM 437 C LEU A 31 10.962 7.495 -10.910 1.00 62.12 C ATOM 438 O LEU A 31 11.110 6.423 -11.496 1.00 45.42 O ATOM 439 CB LEU A 31 8.897 7.931 -9.568 1.00 3.55 C ATOM 440 CG LEU A 31 7.976 7.239 -8.563 1.00 23.34 C ATOM 441 CD1 LEU A 31 7.964 5.736 -8.797 1.00 41.24 C ATOM 442 CD2 LEU A 31 8.408 7.554 -7.138 1.00 1.21 C ATOM 0 H LEU A 31 10.523 9.170 -8.189 1.00 43.10 H new ATOM 0 HA LEU A 31 10.464 6.551 -9.058 1.00 42.21 H new ATOM 0 HB2 LEU A 31 8.819 9.008 -9.420 1.00 3.55 H new ATOM 0 HB3 LEU A 31 8.530 7.719 -10.572 1.00 3.55 H new ATOM 0 HG LEU A 31 6.964 7.617 -8.707 1.00 23.34 H new ATOM 0 HD11 LEU A 31 7.303 5.260 -8.072 1.00 41.24 H new ATOM 0 HD12 LEU A 31 7.607 5.528 -9.805 1.00 41.24 H new ATOM 0 HD13 LEU A 31 8.974 5.342 -8.681 1.00 41.24 H new ATOM 0 HD21 LEU A 31 7.741 7.053 -6.436 1.00 1.21 H new ATOM 0 HD22 LEU A 31 9.428 7.204 -6.981 1.00 1.21 H new ATOM 0 HD23 LEU A 31 8.364 8.631 -6.974 1.00 1.21 H new ATOM 454 N GLY A 32 11.297 8.665 -11.446 1.00 74.12 N ATOM 455 CA GLY A 32 11.866 8.734 -12.779 1.00 53.44 C ATOM 456 C GLY A 32 11.033 7.991 -13.805 1.00 13.51 C ATOM 457 O GLY A 32 11.521 7.077 -14.467 1.00 61.10 O ATOM 0 H GLY A 32 11.184 9.566 -10.981 1.00 74.12 H new ATOM 0 HA2 GLY A 32 11.958 9.778 -13.078 1.00 53.44 H new ATOM 0 HA3 GLY A 32 12.873 8.317 -12.763 1.00 53.44 H new ATOM 461 N GLY A 33 9.769 8.384 -13.936 1.00 1.42 N ATOM 462 CA GLY A 33 8.886 7.737 -14.888 1.00 50.35 C ATOM 463 C GLY A 33 7.496 8.341 -14.893 1.00 35.24 C ATOM 464 O GLY A 33 7.303 9.477 -14.460 1.00 14.02 O ATOM 0 H GLY A 33 9.341 9.139 -13.400 1.00 1.42 H new ATOM 0 HA2 GLY A 33 9.315 7.813 -15.887 1.00 50.35 H new ATOM 0 HA3 GLY A 33 8.817 6.675 -14.651 1.00 50.35 H new ATOM 468 N VAL A 34 6.523 7.580 -15.385 1.00 21.44 N ATOM 469 CA VAL A 34 5.143 8.046 -15.444 1.00 40.12 C ATOM 470 C VAL A 34 4.470 7.945 -14.080 1.00 55.42 C ATOM 471 O VAL A 34 3.427 7.306 -13.935 1.00 23.40 O ATOM 472 CB VAL A 34 4.323 7.242 -16.470 1.00 54.02 C ATOM 473 CG1 VAL A 34 2.981 7.912 -16.724 1.00 35.44 C ATOM 474 CG2 VAL A 34 5.101 7.082 -17.767 1.00 45.41 C ATOM 0 H VAL A 34 6.666 6.638 -15.749 1.00 21.44 H new ATOM 0 HA VAL A 34 5.174 9.091 -15.754 1.00 40.12 H new ATOM 0 HB VAL A 34 4.136 6.249 -16.061 1.00 54.02 H new ATOM 0 HG11 VAL A 34 2.416 7.330 -17.452 1.00 35.44 H new ATOM 0 HG12 VAL A 34 2.421 7.970 -15.791 1.00 35.44 H new ATOM 0 HG13 VAL A 34 3.144 8.918 -17.112 1.00 35.44 H new ATOM 0 HG21 VAL A 34 4.506 6.511 -18.480 1.00 45.41 H new ATOM 0 HG22 VAL A 34 5.321 8.065 -18.183 1.00 45.41 H new ATOM 0 HG23 VAL A 34 6.034 6.555 -17.569 1.00 45.41 H new ATOM 484 N THR A 35 5.072 8.582 -13.080 1.00 54.34 N ATOM 485 CA THR A 35 4.531 8.564 -11.727 1.00 40.51 C ATOM 486 C THR A 35 3.550 9.711 -11.512 1.00 3.44 C ATOM 487 O THR A 35 3.131 9.980 -10.386 1.00 4.14 O ATOM 488 CB THR A 35 5.651 8.657 -10.674 1.00 31.24 C ATOM 489 OG1 THR A 35 5.084 8.737 -9.361 1.00 74.13 O ATOM 490 CG2 THR A 35 6.532 9.871 -10.926 1.00 21.05 C ATOM 0 H THR A 35 5.935 9.117 -13.182 1.00 54.34 H new ATOM 0 HA THR A 35 4.008 7.615 -11.608 1.00 40.51 H new ATOM 0 HB THR A 35 6.266 7.760 -10.750 1.00 31.24 H new ATOM 0 HG1 THR A 35 4.206 9.170 -9.410 1.00 74.13 H new ATOM 0 HG21 THR A 35 7.316 9.915 -10.170 1.00 21.05 H new ATOM 0 HG22 THR A 35 6.985 9.793 -11.914 1.00 21.05 H new ATOM 0 HG23 THR A 35 5.927 10.776 -10.875 1.00 21.05 H new ATOM 498 N VAL A 36 3.187 10.385 -12.598 1.00 52.32 N ATOM 499 CA VAL A 36 2.253 11.503 -12.528 1.00 61.10 C ATOM 500 C VAL A 36 0.821 11.012 -12.346 1.00 3.31 C ATOM 501 O VAL A 36 -0.045 11.270 -13.180 1.00 53.22 O ATOM 502 CB VAL A 36 2.328 12.377 -13.794 1.00 74.12 C ATOM 503 CG1 VAL A 36 1.530 13.658 -13.606 1.00 51.34 C ATOM 504 CG2 VAL A 36 3.776 12.687 -14.143 1.00 34.23 C ATOM 0 H VAL A 36 3.525 10.177 -13.537 1.00 52.32 H new ATOM 0 HA VAL A 36 2.541 12.103 -11.664 1.00 61.10 H new ATOM 0 HB VAL A 36 1.890 11.823 -14.624 1.00 74.12 H new ATOM 0 HG11 VAL A 36 1.594 14.263 -14.510 1.00 51.34 H new ATOM 0 HG12 VAL A 36 0.487 13.411 -13.408 1.00 51.34 H new ATOM 0 HG13 VAL A 36 1.936 14.219 -12.764 1.00 51.34 H new ATOM 0 HG21 VAL A 36 3.810 13.305 -15.040 1.00 34.23 H new ATOM 0 HG22 VAL A 36 4.243 13.222 -13.316 1.00 34.23 H new ATOM 0 HG23 VAL A 36 4.314 11.756 -14.323 1.00 34.23 H new ATOM 514 N GLY A 37 0.580 10.303 -11.248 1.00 35.14 N ATOM 515 CA GLY A 37 -0.749 9.787 -10.975 1.00 53.21 C ATOM 516 C GLY A 37 -0.751 8.737 -9.882 1.00 63.22 C ATOM 517 O GLY A 37 -1.679 8.670 -9.076 1.00 15.43 O ATOM 0 H GLY A 37 1.281 10.077 -10.542 1.00 35.14 H new ATOM 0 HA2 GLY A 37 -1.402 10.610 -10.685 1.00 53.21 H new ATOM 0 HA3 GLY A 37 -1.163 9.358 -11.887 1.00 53.21 H new ATOM 521 N LEU A 38 0.291 7.913 -9.855 1.00 34.51 N ATOM 522 CA LEU A 38 0.406 6.858 -8.853 1.00 53.13 C ATOM 523 C LEU A 38 0.588 7.449 -7.459 1.00 1.10 C ATOM 524 O LEU A 38 0.259 6.814 -6.457 1.00 2.30 O ATOM 525 CB LEU A 38 1.580 5.937 -9.187 1.00 23.32 C ATOM 526 CG LEU A 38 2.900 6.248 -8.480 1.00 13.53 C ATOM 527 CD1 LEU A 38 2.972 5.527 -7.143 1.00 24.20 C ATOM 528 CD2 LEU A 38 4.080 5.865 -9.360 1.00 22.21 C ATOM 0 H LEU A 38 1.068 7.955 -10.515 1.00 34.51 H new ATOM 0 HA LEU A 38 -0.517 6.278 -8.863 1.00 53.13 H new ATOM 0 HB2 LEU A 38 1.293 4.914 -8.944 1.00 23.32 H new ATOM 0 HB3 LEU A 38 1.750 5.974 -10.263 1.00 23.32 H new ATOM 0 HG LEU A 38 2.946 7.321 -8.293 1.00 13.53 H new ATOM 0 HD11 LEU A 38 3.918 5.760 -6.654 1.00 24.20 H new ATOM 0 HD12 LEU A 38 2.147 5.852 -6.510 1.00 24.20 H new ATOM 0 HD13 LEU A 38 2.903 4.451 -7.305 1.00 24.20 H new ATOM 0 HD21 LEU A 38 5.011 6.093 -8.840 1.00 22.21 H new ATOM 0 HD22 LEU A 38 4.039 4.798 -9.579 1.00 22.21 H new ATOM 0 HD23 LEU A 38 4.037 6.429 -10.292 1.00 22.21 H new ATOM 540 N SER A 39 1.113 8.669 -7.403 1.00 14.11 N ATOM 541 CA SER A 39 1.340 9.346 -6.131 1.00 61.34 C ATOM 542 C SER A 39 0.030 9.528 -5.371 1.00 41.31 C ATOM 543 O SER A 39 0.027 9.733 -4.158 1.00 34.40 O ATOM 544 CB SER A 39 2.002 10.705 -6.364 1.00 53.32 C ATOM 545 OG SER A 39 1.613 11.255 -7.611 1.00 73.00 O ATOM 0 H SER A 39 1.389 9.209 -8.223 1.00 14.11 H new ATOM 0 HA SER A 39 2.004 8.725 -5.530 1.00 61.34 H new ATOM 0 HB2 SER A 39 1.729 11.389 -5.560 1.00 53.32 H new ATOM 0 HB3 SER A 39 3.086 10.595 -6.334 1.00 53.32 H new ATOM 0 HG SER A 39 2.048 12.124 -7.735 1.00 73.00 H new ATOM 551 N GLY A 40 -1.083 9.453 -6.095 1.00 43.12 N ATOM 552 CA GLY A 40 -2.384 9.612 -5.474 1.00 13.34 C ATOM 553 C GLY A 40 -2.569 8.705 -4.273 1.00 64.14 C ATOM 554 O GLY A 40 -3.325 9.023 -3.356 1.00 2.14 O ATOM 0 H GLY A 40 -1.106 9.285 -7.101 1.00 43.12 H new ATOM 0 HA2 GLY A 40 -2.511 10.649 -5.165 1.00 13.34 H new ATOM 0 HA3 GLY A 40 -3.162 9.401 -6.208 1.00 13.34 H new ATOM 558 N VAL A 41 -1.877 7.570 -4.280 1.00 21.21 N ATOM 559 CA VAL A 41 -1.968 6.613 -3.184 1.00 31.42 C ATOM 560 C VAL A 41 -0.861 6.841 -2.161 1.00 41.20 C ATOM 561 O VAL A 41 -0.994 6.474 -0.994 1.00 21.44 O ATOM 562 CB VAL A 41 -1.887 5.163 -3.697 1.00 22.42 C ATOM 563 CG1 VAL A 41 -2.961 4.905 -4.742 1.00 70.14 C ATOM 564 CG2 VAL A 41 -0.503 4.874 -4.259 1.00 73.34 C ATOM 0 H VAL A 41 -1.247 7.291 -5.032 1.00 21.21 H new ATOM 0 HA VAL A 41 -2.936 6.769 -2.708 1.00 31.42 H new ATOM 0 HB VAL A 41 -2.062 4.489 -2.859 1.00 22.42 H new ATOM 0 HG11 VAL A 41 -2.888 3.875 -5.093 1.00 70.14 H new ATOM 0 HG12 VAL A 41 -3.944 5.069 -4.301 1.00 70.14 H new ATOM 0 HG13 VAL A 41 -2.822 5.585 -5.582 1.00 70.14 H new ATOM 0 HG21 VAL A 41 -0.463 3.845 -4.617 1.00 73.34 H new ATOM 0 HG22 VAL A 41 -0.297 5.554 -5.085 1.00 73.34 H new ATOM 0 HG23 VAL A 41 0.244 5.015 -3.478 1.00 73.34 H new ATOM 574 N PHE A 42 0.232 7.451 -2.607 1.00 2.10 N ATOM 575 CA PHE A 42 1.364 7.729 -1.731 1.00 21.15 C ATOM 576 C PHE A 42 0.927 8.550 -0.521 1.00 33.32 C ATOM 577 O PHE A 42 1.206 8.189 0.623 1.00 1.42 O ATOM 578 CB PHE A 42 2.459 8.473 -2.497 1.00 43.31 C ATOM 579 CG PHE A 42 3.850 8.112 -2.058 1.00 14.41 C ATOM 580 CD1 PHE A 42 4.520 7.048 -2.640 1.00 14.24 C ATOM 581 CD2 PHE A 42 4.487 8.837 -1.064 1.00 15.52 C ATOM 582 CE1 PHE A 42 5.799 6.714 -2.237 1.00 34.53 C ATOM 583 CE2 PHE A 42 5.766 8.508 -0.657 1.00 73.30 C ATOM 584 CZ PHE A 42 6.423 7.445 -1.245 1.00 71.11 C ATOM 0 H PHE A 42 0.358 7.762 -3.570 1.00 2.10 H new ATOM 0 HA PHE A 42 1.760 6.777 -1.378 1.00 21.15 H new ATOM 0 HB2 PHE A 42 2.356 8.260 -3.561 1.00 43.31 H new ATOM 0 HB3 PHE A 42 2.314 9.546 -2.371 1.00 43.31 H new ATOM 0 HD1 PHE A 42 4.038 6.474 -3.417 1.00 14.24 H new ATOM 0 HD2 PHE A 42 3.978 9.670 -0.602 1.00 15.52 H new ATOM 0 HE1 PHE A 42 6.310 5.882 -2.698 1.00 34.53 H new ATOM 0 HE2 PHE A 42 6.251 9.081 0.119 1.00 73.30 H new ATOM 0 HZ PHE A 42 7.423 7.186 -0.930 1.00 71.11 H new ATOM 594 N THR A 43 0.239 9.657 -0.782 1.00 35.12 N ATOM 595 CA THR A 43 -0.236 10.531 0.284 1.00 75.44 C ATOM 596 C THR A 43 -1.056 9.754 1.307 1.00 34.32 C ATOM 597 O THR A 43 -0.900 9.942 2.513 1.00 34.12 O ATOM 598 CB THR A 43 -1.092 11.683 -0.275 1.00 12.23 C ATOM 599 OG1 THR A 43 -0.418 12.307 -1.373 1.00 63.54 O ATOM 600 CG2 THR A 43 -1.378 12.717 0.804 1.00 3.01 C ATOM 0 H THR A 43 -0.002 9.970 -1.723 1.00 35.12 H new ATOM 0 HA THR A 43 0.647 10.946 0.770 1.00 75.44 H new ATOM 0 HB THR A 43 -2.039 11.268 -0.620 1.00 12.23 H new ATOM 0 HG1 THR A 43 -0.970 13.037 -1.723 1.00 63.54 H new ATOM 0 HG21 THR A 43 -1.984 13.521 0.386 1.00 3.01 H new ATOM 0 HG22 THR A 43 -1.917 12.246 1.626 1.00 3.01 H new ATOM 0 HG23 THR A 43 -0.438 13.126 1.174 1.00 3.01 H new ATOM 608 N ALA A 44 -1.930 8.879 0.818 1.00 1.53 N ATOM 609 CA ALA A 44 -2.773 8.072 1.691 1.00 24.24 C ATOM 610 C ALA A 44 -1.938 7.082 2.497 1.00 13.04 C ATOM 611 O ALA A 44 -2.256 6.779 3.648 1.00 44.52 O ATOM 612 CB ALA A 44 -3.826 7.336 0.876 1.00 44.31 C ATOM 0 H ALA A 44 -2.072 8.712 -0.178 1.00 1.53 H new ATOM 0 HA ALA A 44 -3.274 8.741 2.391 1.00 24.24 H new ATOM 0 HB1 ALA A 44 -4.448 6.737 1.541 1.00 44.31 H new ATOM 0 HB2 ALA A 44 -4.449 8.059 0.349 1.00 44.31 H new ATOM 0 HB3 ALA A 44 -3.336 6.684 0.153 1.00 44.31 H new ATOM 618 N VAL A 45 -0.870 6.580 1.886 1.00 72.40 N ATOM 619 CA VAL A 45 0.010 5.624 2.547 1.00 21.21 C ATOM 620 C VAL A 45 0.819 6.295 3.651 1.00 25.42 C ATOM 621 O VAL A 45 0.838 5.831 4.792 1.00 43.52 O ATOM 622 CB VAL A 45 0.977 4.965 1.545 1.00 33.22 C ATOM 623 CG1 VAL A 45 1.908 3.997 2.259 1.00 1.10 C ATOM 624 CG2 VAL A 45 0.201 4.257 0.444 1.00 3.31 C ATOM 0 H VAL A 45 -0.593 6.820 0.934 1.00 72.40 H new ATOM 0 HA VAL A 45 -0.628 4.856 2.984 1.00 21.21 H new ATOM 0 HB VAL A 45 1.585 5.745 1.086 1.00 33.22 H new ATOM 0 HG11 VAL A 45 2.584 3.541 1.535 1.00 1.10 H new ATOM 0 HG12 VAL A 45 2.488 4.536 3.008 1.00 1.10 H new ATOM 0 HG13 VAL A 45 1.320 3.219 2.746 1.00 1.10 H new ATOM 0 HG21 VAL A 45 0.899 3.797 -0.255 1.00 3.31 H new ATOM 0 HG22 VAL A 45 -0.433 3.487 0.883 1.00 3.31 H new ATOM 0 HG23 VAL A 45 -0.420 4.979 -0.086 1.00 3.31 H new ATOM 634 N LYS A 46 1.488 7.390 3.305 1.00 31.42 N ATOM 635 CA LYS A 46 2.299 8.127 4.266 1.00 12.44 C ATOM 636 C LYS A 46 1.455 8.585 5.452 1.00 24.11 C ATOM 637 O LYS A 46 1.926 8.606 6.589 1.00 32.11 O ATOM 638 CB LYS A 46 2.950 9.338 3.593 1.00 71.40 C ATOM 639 CG LYS A 46 1.950 10.318 3.006 1.00 54.30 C ATOM 640 CD LYS A 46 2.643 11.525 2.397 1.00 45.20 C ATOM 641 CE LYS A 46 3.200 12.448 3.470 1.00 11.40 C ATOM 642 NZ LYS A 46 2.215 13.492 3.869 1.00 62.00 N ATOM 0 H LYS A 46 1.484 7.786 2.365 1.00 31.42 H new ATOM 0 HA LYS A 46 3.079 7.460 4.633 1.00 12.44 H new ATOM 0 HB2 LYS A 46 3.571 9.858 4.322 1.00 71.40 H new ATOM 0 HB3 LYS A 46 3.613 8.990 2.801 1.00 71.40 H new ATOM 0 HG2 LYS A 46 1.353 9.817 2.244 1.00 54.30 H new ATOM 0 HG3 LYS A 46 1.262 10.647 3.785 1.00 54.30 H new ATOM 0 HD2 LYS A 46 3.452 11.192 1.747 1.00 45.20 H new ATOM 0 HD3 LYS A 46 1.938 12.074 1.773 1.00 45.20 H new ATOM 0 HE2 LYS A 46 3.481 11.861 4.344 1.00 11.40 H new ATOM 0 HE3 LYS A 46 4.108 12.927 3.102 1.00 11.40 H new ATOM 0 HZ1 LYS A 46 2.632 14.101 4.602 1.00 62.00 H new ATOM 0 HZ2 LYS A 46 1.966 14.069 3.040 1.00 62.00 H new ATOM 0 HZ3 LYS A 46 1.359 13.036 4.244 1.00 62.00 H new ATOM 656 N ALA A 47 0.207 8.949 5.179 1.00 52.12 N ATOM 657 CA ALA A 47 -0.703 9.403 6.224 1.00 62.53 C ATOM 658 C ALA A 47 -0.977 8.292 7.233 1.00 50.44 C ATOM 659 O ALA A 47 -1.045 8.538 8.436 1.00 34.15 O ATOM 660 CB ALA A 47 -2.006 9.896 5.612 1.00 65.12 C ATOM 0 H ALA A 47 -0.198 8.939 4.243 1.00 52.12 H new ATOM 0 HA ALA A 47 -0.227 10.229 6.752 1.00 62.53 H new ATOM 0 HB1 ALA A 47 -2.676 10.232 6.404 1.00 65.12 H new ATOM 0 HB2 ALA A 47 -1.799 10.725 4.935 1.00 65.12 H new ATOM 0 HB3 ALA A 47 -2.478 9.085 5.058 1.00 65.12 H new ATOM 666 N ALA A 48 -1.134 7.071 6.733 1.00 30.11 N ATOM 667 CA ALA A 48 -1.400 5.923 7.591 1.00 4.04 C ATOM 668 C ALA A 48 -0.264 5.706 8.585 1.00 4.23 C ATOM 669 O ALA A 48 -0.471 5.162 9.670 1.00 13.55 O ATOM 670 CB ALA A 48 -1.613 4.673 6.750 1.00 12.32 C ATOM 0 H ALA A 48 -1.082 6.851 5.738 1.00 30.11 H new ATOM 0 HA ALA A 48 -2.309 6.127 8.156 1.00 4.04 H new ATOM 0 HB1 ALA A 48 -1.811 3.824 7.404 1.00 12.32 H new ATOM 0 HB2 ALA A 48 -2.462 4.823 6.084 1.00 12.32 H new ATOM 0 HB3 ALA A 48 -0.719 4.475 6.159 1.00 12.32 H new ATOM 676 N ILE A 49 0.936 6.134 8.208 1.00 64.23 N ATOM 677 CA ILE A 49 2.105 5.986 9.067 1.00 54.32 C ATOM 678 C ILE A 49 1.875 6.641 10.425 1.00 54.03 C ATOM 679 O ILE A 49 1.997 5.996 11.465 1.00 24.51 O ATOM 680 CB ILE A 49 3.360 6.600 8.420 1.00 63.22 C ATOM 681 CG1 ILE A 49 3.639 5.938 7.069 1.00 44.44 C ATOM 682 CG2 ILE A 49 4.559 6.453 9.345 1.00 32.53 C ATOM 683 CD1 ILE A 49 4.852 6.500 6.360 1.00 24.42 C ATOM 0 H ILE A 49 1.125 6.586 7.313 1.00 64.23 H new ATOM 0 HA ILE A 49 2.263 4.916 9.204 1.00 54.32 H new ATOM 0 HB ILE A 49 3.182 7.662 8.254 1.00 63.22 H new ATOM 0 HG12 ILE A 49 3.780 4.868 7.220 1.00 44.44 H new ATOM 0 HG13 ILE A 49 2.766 6.057 6.428 1.00 44.44 H new ATOM 0 HG21 ILE A 49 5.438 6.892 8.873 1.00 32.53 H new ATOM 0 HG22 ILE A 49 4.358 6.966 10.286 1.00 32.53 H new ATOM 0 HG23 ILE A 49 4.741 5.396 9.539 1.00 32.53 H new ATOM 0 HD11 ILE A 49 4.989 5.984 5.410 1.00 24.42 H new ATOM 0 HD12 ILE A 49 4.706 7.565 6.177 1.00 24.42 H new ATOM 0 HD13 ILE A 49 5.736 6.357 6.982 1.00 24.42 H new ATOM 695 N ALA A 50 1.538 7.927 10.406 1.00 24.32 N ATOM 696 CA ALA A 50 1.287 8.668 11.636 1.00 50.34 C ATOM 697 C ALA A 50 0.108 8.078 12.402 1.00 70.25 C ATOM 698 O ALA A 50 -0.006 8.249 13.615 1.00 11.54 O ATOM 699 CB ALA A 50 1.035 10.136 11.324 1.00 12.13 C ATOM 0 H ALA A 50 1.433 8.476 9.553 1.00 24.32 H new ATOM 0 HA ALA A 50 2.172 8.588 12.267 1.00 50.34 H new ATOM 0 HB1 ALA A 50 0.849 10.678 12.251 1.00 12.13 H new ATOM 0 HB2 ALA A 50 1.908 10.557 10.826 1.00 12.13 H new ATOM 0 HB3 ALA A 50 0.167 10.225 10.671 1.00 12.13 H new ATOM 705 N LYS A 51 -0.768 7.382 11.685 1.00 32.10 N ATOM 706 CA LYS A 51 -1.939 6.765 12.297 1.00 73.15 C ATOM 707 C LYS A 51 -1.556 5.491 13.043 1.00 61.15 C ATOM 708 O LYS A 51 -1.745 5.391 14.254 1.00 21.44 O ATOM 709 CB LYS A 51 -2.990 6.447 11.230 1.00 44.53 C ATOM 710 CG LYS A 51 -3.997 7.564 11.017 1.00 41.13 C ATOM 711 CD LYS A 51 -4.986 7.220 9.916 1.00 50.34 C ATOM 712 CE LYS A 51 -4.629 7.914 8.610 1.00 74.54 C ATOM 713 NZ LYS A 51 -5.842 8.362 7.871 1.00 40.13 N ATOM 0 H LYS A 51 -0.689 7.231 10.679 1.00 32.10 H new ATOM 0 HA LYS A 51 -2.358 7.472 13.013 1.00 73.15 H new ATOM 0 HB2 LYS A 51 -2.486 6.239 10.286 1.00 44.53 H new ATOM 0 HB3 LYS A 51 -3.522 5.539 11.515 1.00 44.53 H new ATOM 0 HG2 LYS A 51 -4.536 7.752 11.946 1.00 41.13 H new ATOM 0 HG3 LYS A 51 -3.472 8.485 10.761 1.00 41.13 H new ATOM 0 HD2 LYS A 51 -5.002 6.141 9.763 1.00 50.34 H new ATOM 0 HD3 LYS A 51 -5.990 7.513 10.223 1.00 50.34 H new ATOM 0 HE2 LYS A 51 -3.992 8.774 8.818 1.00 74.54 H new ATOM 0 HE3 LYS A 51 -4.052 7.234 7.983 1.00 74.54 H new ATOM 0 HZ1 LYS A 51 -5.557 8.830 6.987 1.00 40.13 H new ATOM 0 HZ2 LYS A 51 -6.438 7.539 7.650 1.00 40.13 H new ATOM 0 HZ3 LYS A 51 -6.379 9.031 8.459 1.00 40.13 H new ATOM 727 N GLN A 52 -1.016 4.522 12.311 1.00 62.23 N ATOM 728 CA GLN A 52 -0.605 3.255 12.905 1.00 74.13 C ATOM 729 C GLN A 52 0.912 3.182 13.037 1.00 62.24 C ATOM 730 O GLN A 52 1.450 3.183 14.143 1.00 30.20 O ATOM 731 CB GLN A 52 -1.113 2.084 12.061 1.00 21.04 C ATOM 732 CG GLN A 52 -2.489 1.588 12.475 1.00 71.02 C ATOM 733 CD GLN A 52 -3.258 0.971 11.323 1.00 43.54 C ATOM 734 OE1 GLN A 52 -3.687 -0.180 11.394 1.00 73.34 O ATOM 735 NE2 GLN A 52 -3.435 1.737 10.252 1.00 33.02 N ATOM 0 H GLN A 52 -0.853 4.590 11.306 1.00 62.23 H new ATOM 0 HA GLN A 52 -1.041 3.191 13.902 1.00 74.13 H new ATOM 0 HB2 GLN A 52 -1.145 2.388 11.015 1.00 21.04 H new ATOM 0 HB3 GLN A 52 -0.402 1.260 12.132 1.00 21.04 H new ATOM 0 HG2 GLN A 52 -2.381 0.851 13.271 1.00 71.02 H new ATOM 0 HG3 GLN A 52 -3.062 2.419 12.886 1.00 71.02 H new ATOM 0 HE21 GLN A 52 -3.062 2.686 10.237 1.00 33.02 H new ATOM 0 HE22 GLN A 52 -3.944 1.376 9.445 1.00 33.02 H new ATOM 744 N GLY A 53 1.598 3.118 11.899 1.00 0.11 N ATOM 745 CA GLY A 53 3.047 3.045 11.910 1.00 63.31 C ATOM 746 C GLY A 53 3.622 2.730 10.543 1.00 21.51 C ATOM 747 O GLY A 53 2.935 2.171 9.688 1.00 60.44 O ATOM 0 H GLY A 53 1.176 3.115 10.971 1.00 0.11 H new ATOM 0 HA2 GLY A 53 3.453 3.994 12.262 1.00 63.31 H new ATOM 0 HA3 GLY A 53 3.364 2.280 12.619 1.00 63.31 H new ATOM 751 N ILE A 54 4.884 3.090 10.336 1.00 22.44 N ATOM 752 CA ILE A 54 5.550 2.842 9.064 1.00 40.14 C ATOM 753 C ILE A 54 5.410 1.383 8.644 1.00 34.34 C ATOM 754 O ILE A 54 5.382 1.066 7.455 1.00 50.52 O ATOM 755 CB ILE A 54 7.046 3.204 9.131 1.00 74.40 C ATOM 756 CG1 ILE A 54 7.755 2.339 10.175 1.00 10.34 C ATOM 757 CG2 ILE A 54 7.220 4.681 9.451 1.00 34.32 C ATOM 758 CD1 ILE A 54 9.241 2.605 10.271 1.00 0.12 C ATOM 0 H ILE A 54 5.466 3.555 11.033 1.00 22.44 H new ATOM 0 HA ILE A 54 5.063 3.478 8.325 1.00 40.14 H new ATOM 0 HB ILE A 54 7.497 3.009 8.158 1.00 74.40 H new ATOM 0 HG12 ILE A 54 7.299 2.513 11.150 1.00 10.34 H new ATOM 0 HG13 ILE A 54 7.597 1.288 9.932 1.00 10.34 H new ATOM 0 HG21 ILE A 54 8.282 4.921 9.495 1.00 34.32 H new ATOM 0 HG22 ILE A 54 6.744 5.280 8.674 1.00 34.32 H new ATOM 0 HG23 ILE A 54 6.758 4.902 10.413 1.00 34.32 H new ATOM 0 HD11 ILE A 54 9.678 1.957 11.030 1.00 0.12 H new ATOM 0 HD12 ILE A 54 9.710 2.403 9.308 1.00 0.12 H new ATOM 0 HD13 ILE A 54 9.407 3.647 10.544 1.00 0.12 H new ATOM 770 N LYS A 55 5.319 0.496 9.630 1.00 64.12 N ATOM 771 CA LYS A 55 5.178 -0.931 9.365 1.00 4.02 C ATOM 772 C LYS A 55 3.962 -1.204 8.486 1.00 41.41 C ATOM 773 O LYS A 55 4.024 -2.007 7.555 1.00 54.54 O ATOM 774 CB LYS A 55 5.054 -1.705 10.680 1.00 44.43 C ATOM 775 CG LYS A 55 3.912 -1.229 11.560 1.00 12.31 C ATOM 776 CD LYS A 55 4.219 -1.438 13.034 1.00 75.15 C ATOM 777 CE LYS A 55 4.992 -0.264 13.614 1.00 23.40 C ATOM 778 NZ LYS A 55 5.213 -0.416 15.079 1.00 12.50 N ATOM 0 H LYS A 55 5.340 0.741 10.620 1.00 64.12 H new ATOM 0 HA LYS A 55 6.070 -1.266 8.835 1.00 4.02 H new ATOM 0 HB2 LYS A 55 4.914 -2.763 10.457 1.00 44.43 H new ATOM 0 HB3 LYS A 55 5.989 -1.617 11.233 1.00 44.43 H new ATOM 0 HG2 LYS A 55 3.724 -0.172 11.373 1.00 12.31 H new ATOM 0 HG3 LYS A 55 3.001 -1.766 11.297 1.00 12.31 H new ATOM 0 HD2 LYS A 55 3.288 -1.570 13.585 1.00 75.15 H new ATOM 0 HD3 LYS A 55 4.797 -2.354 13.160 1.00 75.15 H new ATOM 0 HE2 LYS A 55 5.954 -0.177 13.109 1.00 23.40 H new ATOM 0 HE3 LYS A 55 4.447 0.660 13.423 1.00 23.40 H new ATOM 0 HZ1 LYS A 55 5.743 0.404 15.437 1.00 12.50 H new ATOM 0 HZ2 LYS A 55 4.295 -0.474 15.564 1.00 12.50 H new ATOM 0 HZ3 LYS A 55 5.755 -1.285 15.260 1.00 12.50 H new ATOM 792 N LYS A 56 2.857 -0.529 8.787 1.00 64.35 N ATOM 793 CA LYS A 56 1.627 -0.696 8.022 1.00 32.14 C ATOM 794 C LYS A 56 1.798 -0.182 6.597 1.00 71.05 C ATOM 795 O LYS A 56 1.185 -0.699 5.663 1.00 42.12 O ATOM 796 CB LYS A 56 0.473 0.041 8.707 1.00 44.03 C ATOM 797 CG LYS A 56 -0.331 -0.833 9.653 1.00 72.43 C ATOM 798 CD LYS A 56 0.453 -1.161 10.912 1.00 11.55 C ATOM 799 CE LYS A 56 -0.466 -1.337 12.111 1.00 35.32 C ATOM 800 NZ LYS A 56 0.191 -0.922 13.381 1.00 44.01 N ATOM 0 H LYS A 56 2.789 0.139 9.555 1.00 64.35 H new ATOM 0 HA LYS A 56 1.397 -1.761 7.979 1.00 32.14 H new ATOM 0 HB2 LYS A 56 0.873 0.890 9.262 1.00 44.03 H new ATOM 0 HB3 LYS A 56 -0.193 0.444 7.944 1.00 44.03 H new ATOM 0 HG2 LYS A 56 -1.256 -0.324 9.922 1.00 72.43 H new ATOM 0 HG3 LYS A 56 -0.611 -1.757 9.147 1.00 72.43 H new ATOM 0 HD2 LYS A 56 1.028 -2.074 10.756 1.00 11.55 H new ATOM 0 HD3 LYS A 56 1.168 -0.364 11.114 1.00 11.55 H new ATOM 0 HE2 LYS A 56 -1.372 -0.750 11.963 1.00 35.32 H new ATOM 0 HE3 LYS A 56 -0.771 -2.381 12.184 1.00 35.32 H new ATOM 0 HZ1 LYS A 56 -0.533 -0.618 14.063 1.00 44.01 H new ATOM 0 HZ2 LYS A 56 0.723 -1.724 13.775 1.00 44.01 H new ATOM 0 HZ3 LYS A 56 0.843 -0.133 13.193 1.00 44.01 H new ATOM 814 N ALA A 57 2.635 0.837 6.436 1.00 5.33 N ATOM 815 CA ALA A 57 2.890 1.418 5.124 1.00 55.31 C ATOM 816 C ALA A 57 3.420 0.369 4.152 1.00 12.35 C ATOM 817 O ALA A 57 3.086 0.383 2.967 1.00 25.11 O ATOM 818 CB ALA A 57 3.870 2.576 5.240 1.00 13.21 C ATOM 0 H ALA A 57 3.149 1.278 7.199 1.00 5.33 H new ATOM 0 HA ALA A 57 1.945 1.794 4.732 1.00 55.31 H new ATOM 0 HB1 ALA A 57 4.051 3.000 4.252 1.00 13.21 H new ATOM 0 HB2 ALA A 57 3.452 3.342 5.893 1.00 13.21 H new ATOM 0 HB3 ALA A 57 4.810 2.216 5.658 1.00 13.21 H new ATOM 824 N ILE A 58 4.247 -0.537 4.662 1.00 72.53 N ATOM 825 CA ILE A 58 4.822 -1.594 3.838 1.00 4.43 C ATOM 826 C ILE A 58 3.733 -2.417 3.160 1.00 31.53 C ATOM 827 O ILE A 58 3.668 -2.488 1.933 1.00 23.04 O ATOM 828 CB ILE A 58 5.717 -2.532 4.670 1.00 10.51 C ATOM 829 CG1 ILE A 58 6.824 -1.734 5.363 1.00 61.43 C ATOM 830 CG2 ILE A 58 6.312 -3.617 3.786 1.00 22.31 C ATOM 831 CD1 ILE A 58 7.723 -2.582 6.236 1.00 13.42 C ATOM 0 H ILE A 58 4.534 -0.561 5.641 1.00 72.53 H new ATOM 0 HA ILE A 58 5.430 -1.105 3.077 1.00 4.43 H new ATOM 0 HB ILE A 58 5.106 -3.009 5.436 1.00 10.51 H new ATOM 0 HG12 ILE A 58 7.430 -1.236 4.606 1.00 61.43 H new ATOM 0 HG13 ILE A 58 6.370 -0.953 5.973 1.00 61.43 H new ATOM 0 HG21 ILE A 58 6.942 -4.272 4.388 1.00 22.31 H new ATOM 0 HG22 ILE A 58 5.509 -4.200 3.335 1.00 22.31 H new ATOM 0 HG23 ILE A 58 6.912 -3.158 3.000 1.00 22.31 H new ATOM 0 HD11 ILE A 58 8.484 -1.951 6.695 1.00 13.42 H new ATOM 0 HD12 ILE A 58 7.129 -3.059 7.015 1.00 13.42 H new ATOM 0 HD13 ILE A 58 8.205 -3.347 5.627 1.00 13.42 H new ATOM 843 N GLN A 59 2.878 -3.037 3.968 1.00 64.11 N ATOM 844 CA GLN A 59 1.790 -3.855 3.445 1.00 25.32 C ATOM 845 C GLN A 59 0.856 -3.025 2.571 1.00 64.10 C ATOM 846 O GLN A 59 0.212 -3.549 1.661 1.00 13.43 O ATOM 847 CB GLN A 59 1.004 -4.489 4.594 1.00 71.43 C ATOM 848 CG GLN A 59 0.353 -3.474 5.519 1.00 5.13 C ATOM 849 CD GLN A 59 -0.686 -4.097 6.431 1.00 45.42 C ATOM 850 OE1 GLN A 59 -0.712 -5.313 6.621 1.00 55.12 O ATOM 851 NE2 GLN A 59 -1.548 -3.264 7.001 1.00 14.21 N ATOM 0 H GLN A 59 2.918 -2.988 4.986 1.00 64.11 H new ATOM 0 HA GLN A 59 2.225 -4.644 2.832 1.00 25.32 H new ATOM 0 HB2 GLN A 59 0.232 -5.138 4.180 1.00 71.43 H new ATOM 0 HB3 GLN A 59 1.674 -5.121 5.176 1.00 71.43 H new ATOM 0 HG2 GLN A 59 1.122 -2.995 6.125 1.00 5.13 H new ATOM 0 HG3 GLN A 59 -0.116 -2.692 4.922 1.00 5.13 H new ATOM 0 HE21 GLN A 59 -1.489 -2.263 6.815 1.00 14.21 H new ATOM 0 HE22 GLN A 59 -2.269 -3.625 7.625 1.00 14.21 H new ATOM 860 N LEU A 60 0.788 -1.729 2.852 1.00 12.43 N ATOM 861 CA LEU A 60 -0.068 -0.825 2.092 1.00 52.15 C ATOM 862 C LEU A 60 0.413 -0.705 0.649 1.00 75.01 C ATOM 863 O LEU A 60 -0.385 -0.753 -0.288 1.00 25.52 O ATOM 864 CB LEU A 60 -0.096 0.556 2.748 1.00 12.32 C ATOM 865 CG LEU A 60 -1.461 1.037 3.242 1.00 52.33 C ATOM 866 CD1 LEU A 60 -1.332 2.378 3.947 1.00 44.51 C ATOM 867 CD2 LEU A 60 -2.443 1.134 2.083 1.00 12.53 C ATOM 0 H LEU A 60 1.315 -1.280 3.601 1.00 12.43 H new ATOM 0 HA LEU A 60 -1.077 -1.238 2.087 1.00 52.15 H new ATOM 0 HB2 LEU A 60 0.592 0.549 3.593 1.00 12.32 H new ATOM 0 HB3 LEU A 60 0.286 1.284 2.032 1.00 12.32 H new ATOM 0 HG LEU A 60 -1.844 0.309 3.958 1.00 52.33 H new ATOM 0 HD11 LEU A 60 -2.313 2.704 4.291 1.00 44.51 H new ATOM 0 HD12 LEU A 60 -0.663 2.277 4.801 1.00 44.51 H new ATOM 0 HD13 LEU A 60 -0.927 3.116 3.254 1.00 44.51 H new ATOM 0 HD21 LEU A 60 -3.409 1.478 2.453 1.00 12.53 H new ATOM 0 HD22 LEU A 60 -2.065 1.840 1.344 1.00 12.53 H new ATOM 0 HD23 LEU A 60 -2.559 0.153 1.621 1.00 12.53 H new TER 879 LEU A 60