USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 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= 0.106 (180deg=-0.463) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.124 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= -0.12 X(o=-0.12,f=-0.18) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 26 SER OG : rot -120:sc= -0.621 USER MOD Single : A 29 SER OG : rot -170:sc= -0.0567 USER MOD Single : A 35 THR OG1 : rot -156:sc= -3.78! USER MOD Single : A 39 SER OG : rot -160:sc= -1.89! USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.0485 (180deg=-0.943) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0841 K(o=-0.084,f=-0.78) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.082 (180deg=-0.505) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.373 0.737 0.393 1.00 62.32 N ATOM 2 CA LEU A 1 2.115 0.994 -0.837 1.00 21.42 C ATOM 3 C LEU A 1 2.152 -0.249 -1.720 1.00 71.23 C ATOM 4 O LEU A 1 1.784 -0.201 -2.894 1.00 52.41 O ATOM 5 CB LEU A 1 3.540 1.444 -0.511 1.00 42.22 C ATOM 6 CG LEU A 1 3.693 2.885 -0.022 1.00 23.33 C ATOM 7 CD1 LEU A 1 5.141 3.174 0.342 1.00 23.35 C ATOM 8 CD2 LEU A 1 3.202 3.862 -1.079 1.00 42.44 C ATOM 0 H1 LEU A 1 1.991 0.904 1.213 1.00 62.32 H new ATOM 0 HA LEU A 1 1.605 1.789 -1.381 1.00 21.42 H new ATOM 0 HB2 LEU A 1 3.945 0.778 0.251 1.00 42.22 H new ATOM 0 HB3 LEU A 1 4.153 1.317 -1.403 1.00 42.22 H new ATOM 0 HG LEU A 1 3.083 3.012 0.872 1.00 23.33 H new ATOM 0 HD11 LEU A 1 5.231 4.204 0.688 1.00 23.35 H new ATOM 0 HD12 LEU A 1 5.459 2.496 1.134 1.00 23.35 H new ATOM 0 HD13 LEU A 1 5.772 3.029 -0.535 1.00 23.35 H new ATOM 0 HD21 LEU A 1 3.319 4.882 -0.714 1.00 42.44 H new ATOM 0 HD22 LEU A 1 3.785 3.734 -1.991 1.00 42.44 H new ATOM 0 HD23 LEU A 1 2.150 3.670 -1.291 1.00 42.44 H new ATOM 20 N VAL A 2 2.597 -1.363 -1.148 1.00 32.34 N ATOM 21 CA VAL A 2 2.679 -2.620 -1.882 1.00 35.32 C ATOM 22 C VAL A 2 1.309 -3.044 -2.400 1.00 32.22 C ATOM 23 O VAL A 2 1.146 -3.339 -3.583 1.00 73.42 O ATOM 24 CB VAL A 2 3.254 -3.747 -1.003 1.00 42.13 C ATOM 25 CG1 VAL A 2 3.283 -5.060 -1.770 1.00 63.22 C ATOM 26 CG2 VAL A 2 4.644 -3.378 -0.508 1.00 65.21 C ATOM 0 H VAL A 2 2.906 -1.421 -0.178 1.00 32.34 H new ATOM 0 HA VAL A 2 3.347 -2.451 -2.726 1.00 35.32 H new ATOM 0 HB VAL A 2 2.606 -3.875 -0.136 1.00 42.13 H new ATOM 0 HG11 VAL A 2 3.692 -5.844 -1.133 1.00 63.22 H new ATOM 0 HG12 VAL A 2 2.270 -5.328 -2.071 1.00 63.22 H new ATOM 0 HG13 VAL A 2 3.907 -4.950 -2.657 1.00 63.22 H new ATOM 0 HG21 VAL A 2 5.036 -4.185 0.111 1.00 65.21 H new ATOM 0 HG22 VAL A 2 5.304 -3.222 -1.361 1.00 65.21 H new ATOM 0 HG23 VAL A 2 4.589 -2.462 0.081 1.00 65.21 H new ATOM 36 N ALA A 3 0.326 -3.071 -1.505 1.00 64.51 N ATOM 37 CA ALA A 3 -1.031 -3.457 -1.872 1.00 44.32 C ATOM 38 C ALA A 3 -1.642 -2.454 -2.845 1.00 64.35 C ATOM 39 O ALA A 3 -2.494 -2.807 -3.661 1.00 12.31 O ATOM 40 CB ALA A 3 -1.898 -3.584 -0.629 1.00 1.35 C ATOM 0 H ALA A 3 0.444 -2.830 -0.521 1.00 64.51 H new ATOM 0 HA ALA A 3 -0.985 -4.426 -2.370 1.00 44.32 H new ATOM 0 HB1 ALA A 3 -2.909 -3.873 -0.918 1.00 1.35 H new ATOM 0 HB2 ALA A 3 -1.479 -4.343 0.031 1.00 1.35 H new ATOM 0 HB3 ALA A 3 -1.929 -2.627 -0.108 1.00 1.35 H new ATOM 46 N TYR A 4 -1.201 -1.205 -2.754 1.00 51.51 N ATOM 47 CA TYR A 4 -1.707 -0.150 -3.625 1.00 33.22 C ATOM 48 C TYR A 4 -1.148 -0.294 -5.037 1.00 31.50 C ATOM 49 O TYR A 4 -1.893 -0.285 -6.016 1.00 10.20 O ATOM 50 CB TYR A 4 -1.346 1.224 -3.059 1.00 53.43 C ATOM 51 CG TYR A 4 -2.397 1.793 -2.133 1.00 53.21 C ATOM 52 CD1 TYR A 4 -3.065 0.980 -1.226 1.00 14.53 C ATOM 53 CD2 TYR A 4 -2.721 3.144 -2.165 1.00 14.13 C ATOM 54 CE1 TYR A 4 -4.027 1.496 -0.378 1.00 61.13 C ATOM 55 CE2 TYR A 4 -3.680 3.669 -1.320 1.00 35.51 C ATOM 56 CZ TYR A 4 -4.331 2.840 -0.429 1.00 3.41 C ATOM 57 OH TYR A 4 -5.287 3.358 0.415 1.00 62.04 O ATOM 0 H TYR A 4 -0.494 -0.898 -2.086 1.00 51.51 H new ATOM 0 HA TYR A 4 -2.792 -0.242 -3.673 1.00 33.22 H new ATOM 0 HB2 TYR A 4 -0.401 1.149 -2.520 1.00 53.43 H new ATOM 0 HB3 TYR A 4 -1.188 1.918 -3.885 1.00 53.43 H new ATOM 0 HD1 TYR A 4 -2.829 -0.073 -1.183 1.00 14.53 H new ATOM 0 HD2 TYR A 4 -2.215 3.795 -2.862 1.00 14.13 H new ATOM 0 HE1 TYR A 4 -4.538 0.850 0.321 1.00 61.13 H new ATOM 0 HE2 TYR A 4 -3.919 4.722 -1.357 1.00 35.51 H new ATOM 0 HH TYR A 4 -5.380 4.320 0.252 1.00 62.04 H new ATOM 67 N GLY A 5 0.171 -0.429 -5.133 1.00 62.12 N ATOM 68 CA GLY A 5 0.810 -0.574 -6.428 1.00 75.24 C ATOM 69 C GLY A 5 2.290 -0.252 -6.384 1.00 61.24 C ATOM 70 O GLY A 5 2.788 0.522 -7.203 1.00 21.34 O ATOM 0 H GLY A 5 0.809 -0.441 -4.337 1.00 62.12 H new ATOM 0 HA2 GLY A 5 0.674 -1.595 -6.784 1.00 75.24 H new ATOM 0 HA3 GLY A 5 0.320 0.082 -7.147 1.00 75.24 H new ATOM 74 N ILE A 6 2.995 -0.845 -5.427 1.00 32.22 N ATOM 75 CA ILE A 6 4.427 -0.616 -5.280 1.00 33.45 C ATOM 76 C ILE A 6 5.183 -1.934 -5.144 1.00 12.32 C ATOM 77 O ILE A 6 4.691 -2.884 -4.535 1.00 50.44 O ATOM 78 CB ILE A 6 4.733 0.267 -4.055 1.00 72.34 C ATOM 79 CG1 ILE A 6 4.021 1.615 -4.181 1.00 51.23 C ATOM 80 CG2 ILE A 6 6.234 0.466 -3.908 1.00 31.20 C ATOM 81 CD1 ILE A 6 4.493 2.440 -5.358 1.00 4.43 C ATOM 0 H ILE A 6 2.598 -1.488 -4.742 1.00 32.22 H new ATOM 0 HA ILE A 6 4.759 -0.101 -6.181 1.00 33.45 H new ATOM 0 HB ILE A 6 4.364 -0.236 -3.161 1.00 72.34 H new ATOM 0 HG12 ILE A 6 2.949 1.443 -4.275 1.00 51.23 H new ATOM 0 HG13 ILE A 6 4.173 2.184 -3.264 1.00 51.23 H new ATOM 0 HG21 ILE A 6 6.435 1.092 -3.038 1.00 31.20 H new ATOM 0 HG22 ILE A 6 6.718 -0.502 -3.778 1.00 31.20 H new ATOM 0 HG23 ILE A 6 6.626 0.951 -4.802 1.00 31.20 H new ATOM 0 HD11 ILE A 6 3.945 3.382 -5.385 1.00 4.43 H new ATOM 0 HD12 ILE A 6 5.559 2.643 -5.256 1.00 4.43 H new ATOM 0 HD13 ILE A 6 4.315 1.890 -6.282 1.00 4.43 H new ATOM 93 N ALA A 7 6.383 -1.982 -5.713 1.00 74.44 N ATOM 94 CA ALA A 7 7.209 -3.182 -5.653 1.00 11.32 C ATOM 95 C ALA A 7 7.351 -3.679 -4.218 1.00 53.31 C ATOM 96 O ALA A 7 7.294 -2.894 -3.272 1.00 41.20 O ATOM 97 CB ALA A 7 8.579 -2.910 -6.257 1.00 55.11 C ATOM 0 H ALA A 7 6.805 -1.204 -6.221 1.00 74.44 H new ATOM 0 HA ALA A 7 6.716 -3.962 -6.233 1.00 11.32 H new ATOM 0 HB1 ALA A 7 9.185 -3.814 -6.206 1.00 55.11 H new ATOM 0 HB2 ALA A 7 8.464 -2.609 -7.298 1.00 55.11 H new ATOM 0 HB3 ALA A 7 9.070 -2.112 -5.700 1.00 55.11 H new ATOM 103 N GLN A 8 7.534 -4.986 -4.065 1.00 62.11 N ATOM 104 CA GLN A 8 7.682 -5.587 -2.745 1.00 5.22 C ATOM 105 C GLN A 8 8.992 -5.155 -2.094 1.00 43.40 C ATOM 106 O GLN A 8 8.998 -4.594 -0.999 1.00 33.21 O ATOM 107 CB GLN A 8 7.629 -7.112 -2.846 1.00 73.23 C ATOM 108 CG GLN A 8 7.823 -7.818 -1.514 1.00 13.21 C ATOM 109 CD GLN A 8 7.177 -9.189 -1.480 1.00 65.24 C ATOM 110 OE1 GLN A 8 6.016 -9.351 -1.856 1.00 11.24 O ATOM 111 NE2 GLN A 8 7.929 -10.187 -1.030 1.00 3.44 N ATOM 0 H GLN A 8 7.583 -5.649 -4.838 1.00 62.11 H new ATOM 0 HA GLN A 8 6.856 -5.242 -2.123 1.00 5.22 H new ATOM 0 HB2 GLN A 8 6.668 -7.407 -3.267 1.00 73.23 H new ATOM 0 HB3 GLN A 8 8.398 -7.449 -3.541 1.00 73.23 H new ATOM 0 HG2 GLN A 8 8.889 -7.918 -1.312 1.00 13.21 H new ATOM 0 HG3 GLN A 8 7.404 -7.203 -0.717 1.00 13.21 H new ATOM 0 HE21 GLN A 8 8.887 -10.008 -0.728 1.00 3.44 H new ATOM 0 HE22 GLN A 8 7.549 -11.132 -0.986 1.00 3.44 H new ATOM 120 N GLY A 9 10.102 -5.420 -2.776 1.00 44.44 N ATOM 121 CA GLY A 9 11.403 -5.052 -2.249 1.00 2.44 C ATOM 122 C GLY A 9 11.635 -3.554 -2.269 1.00 55.30 C ATOM 123 O GLY A 9 12.246 -2.999 -1.355 1.00 32.10 O ATOM 0 H GLY A 9 10.123 -5.883 -3.685 1.00 44.44 H new ATOM 0 HA2 GLY A 9 11.493 -5.417 -1.226 1.00 2.44 H new ATOM 0 HA3 GLY A 9 12.181 -5.545 -2.833 1.00 2.44 H new ATOM 127 N THR A 10 11.146 -2.895 -3.316 1.00 23.13 N ATOM 128 CA THR A 10 11.305 -1.453 -3.453 1.00 64.03 C ATOM 129 C THR A 10 10.442 -0.706 -2.443 1.00 50.25 C ATOM 130 O THR A 10 10.751 0.423 -2.064 1.00 11.24 O ATOM 131 CB THR A 10 10.940 -0.980 -4.873 1.00 62.51 C ATOM 132 OG1 THR A 10 11.441 -1.908 -5.842 1.00 73.32 O ATOM 133 CG2 THR A 10 11.511 0.403 -5.146 1.00 54.15 C ATOM 0 H THR A 10 10.637 -3.338 -4.081 1.00 23.13 H new ATOM 0 HA THR A 10 12.355 -1.231 -3.263 1.00 64.03 H new ATOM 0 HB THR A 10 9.854 -0.928 -4.947 1.00 62.51 H new ATOM 0 HG1 THR A 10 11.203 -1.601 -6.742 1.00 73.32 H new ATOM 0 HG21 THR A 10 11.240 0.716 -6.154 1.00 54.15 H new ATOM 0 HG22 THR A 10 11.106 1.113 -4.425 1.00 54.15 H new ATOM 0 HG23 THR A 10 12.597 0.373 -5.055 1.00 54.15 H new ATOM 141 N ALA A 11 9.359 -1.343 -2.012 1.00 33.33 N ATOM 142 CA ALA A 11 8.452 -0.739 -1.043 1.00 60.33 C ATOM 143 C ALA A 11 9.213 -0.221 0.172 1.00 20.13 C ATOM 144 O ALA A 11 8.892 0.837 0.712 1.00 54.13 O ATOM 145 CB ALA A 11 7.391 -1.743 -0.616 1.00 24.00 C ATOM 0 H ALA A 11 9.088 -2.277 -2.318 1.00 33.33 H new ATOM 0 HA ALA A 11 7.962 0.109 -1.520 1.00 60.33 H new ATOM 0 HB1 ALA A 11 6.721 -1.279 0.107 1.00 24.00 H new ATOM 0 HB2 ALA A 11 6.819 -2.061 -1.488 1.00 24.00 H new ATOM 0 HB3 ALA A 11 7.872 -2.609 -0.161 1.00 24.00 H new ATOM 151 N GLU A 12 10.222 -0.974 0.598 1.00 23.23 N ATOM 152 CA GLU A 12 11.027 -0.590 1.752 1.00 63.12 C ATOM 153 C GLU A 12 11.928 0.595 1.416 1.00 11.33 C ATOM 154 O GLU A 12 12.203 1.442 2.267 1.00 32.42 O ATOM 155 CB GLU A 12 11.876 -1.772 2.225 1.00 3.35 C ATOM 156 CG GLU A 12 11.074 -2.856 2.925 1.00 71.02 C ATOM 157 CD GLU A 12 11.951 -3.833 3.683 1.00 31.15 C ATOM 158 OE1 GLU A 12 12.889 -4.387 3.073 1.00 52.10 O ATOM 159 OE2 GLU A 12 11.699 -4.043 4.888 1.00 32.55 O ATOM 0 H GLU A 12 10.501 -1.853 0.162 1.00 23.23 H new ATOM 0 HA GLU A 12 10.350 -0.294 2.553 1.00 63.12 H new ATOM 0 HB2 GLU A 12 12.388 -2.207 1.367 1.00 3.35 H new ATOM 0 HB3 GLU A 12 12.647 -1.406 2.904 1.00 3.35 H new ATOM 0 HG2 GLU A 12 10.371 -2.393 3.617 1.00 71.02 H new ATOM 0 HG3 GLU A 12 10.484 -3.400 2.187 1.00 71.02 H new ATOM 166 N LYS A 13 12.385 0.649 0.170 1.00 42.10 N ATOM 167 CA LYS A 13 13.254 1.730 -0.281 1.00 23.43 C ATOM 168 C LYS A 13 12.491 3.048 -0.351 1.00 50.42 C ATOM 169 O LYS A 13 12.899 4.046 0.244 1.00 34.24 O ATOM 170 CB LYS A 13 13.847 1.397 -1.652 1.00 13.10 C ATOM 171 CG LYS A 13 15.103 2.186 -1.980 1.00 15.14 C ATOM 172 CD LYS A 13 15.408 2.155 -3.468 1.00 1.43 C ATOM 173 CE LYS A 13 16.205 3.377 -3.898 1.00 40.24 C ATOM 174 NZ LYS A 13 16.564 3.325 -5.343 1.00 35.22 N ATOM 0 H LYS A 13 12.168 -0.044 -0.546 1.00 42.10 H new ATOM 0 HA LYS A 13 14.063 1.838 0.441 1.00 23.43 H new ATOM 0 HB2 LYS A 13 14.077 0.332 -1.690 1.00 13.10 H new ATOM 0 HB3 LYS A 13 13.097 1.589 -2.419 1.00 13.10 H new ATOM 0 HG2 LYS A 13 14.980 3.219 -1.654 1.00 15.14 H new ATOM 0 HG3 LYS A 13 15.947 1.775 -1.426 1.00 15.14 H new ATOM 0 HD2 LYS A 13 15.968 1.251 -3.707 1.00 1.43 H new ATOM 0 HD3 LYS A 13 14.476 2.111 -4.031 1.00 1.43 H new ATOM 0 HE2 LYS A 13 15.624 4.278 -3.700 1.00 40.24 H new ATOM 0 HE3 LYS A 13 17.114 3.447 -3.300 1.00 40.24 H new ATOM 0 HZ1 LYS A 13 17.106 4.175 -5.597 1.00 35.22 H new ATOM 0 HZ2 LYS A 13 17.140 2.479 -5.527 1.00 35.22 H new ATOM 0 HZ3 LYS A 13 15.696 3.284 -5.915 1.00 35.22 H new ATOM 188 N VAL A 14 11.380 3.046 -1.082 1.00 25.12 N ATOM 189 CA VAL A 14 10.559 4.241 -1.228 1.00 14.43 C ATOM 190 C VAL A 14 10.195 4.828 0.132 1.00 62.31 C ATOM 191 O VAL A 14 10.212 6.044 0.320 1.00 52.20 O ATOM 192 CB VAL A 14 9.265 3.941 -2.008 1.00 12.25 C ATOM 193 CG1 VAL A 14 9.574 3.669 -3.472 1.00 5.23 C ATOM 194 CG2 VAL A 14 8.527 2.767 -1.383 1.00 20.41 C ATOM 0 H VAL A 14 11.029 2.229 -1.582 1.00 25.12 H new ATOM 0 HA VAL A 14 11.152 4.966 -1.786 1.00 14.43 H new ATOM 0 HB VAL A 14 8.618 4.817 -1.955 1.00 12.25 H new ATOM 0 HG11 VAL A 14 8.648 3.459 -4.007 1.00 5.23 H new ATOM 0 HG12 VAL A 14 10.056 4.543 -3.911 1.00 5.23 H new ATOM 0 HG13 VAL A 14 10.240 2.810 -3.550 1.00 5.23 H new ATOM 0 HG21 VAL A 14 7.615 2.569 -1.947 1.00 20.41 H new ATOM 0 HG22 VAL A 14 9.165 1.884 -1.403 1.00 20.41 H new ATOM 0 HG23 VAL A 14 8.271 3.006 -0.351 1.00 20.41 H new ATOM 204 N VAL A 15 9.867 3.954 1.078 1.00 22.05 N ATOM 205 CA VAL A 15 9.501 4.385 2.422 1.00 30.55 C ATOM 206 C VAL A 15 10.649 5.131 3.092 1.00 22.25 C ATOM 207 O VAL A 15 10.442 6.158 3.738 1.00 4.13 O ATOM 208 CB VAL A 15 9.097 3.188 3.304 1.00 12.24 C ATOM 209 CG1 VAL A 15 8.911 3.628 4.749 1.00 64.13 C ATOM 210 CG2 VAL A 15 7.830 2.537 2.770 1.00 23.30 C ATOM 0 H VAL A 15 9.847 2.944 0.939 1.00 22.05 H new ATOM 0 HA VAL A 15 8.648 5.055 2.318 1.00 30.55 H new ATOM 0 HB VAL A 15 9.898 2.450 3.274 1.00 12.24 H new ATOM 0 HG11 VAL A 15 8.626 2.769 5.357 1.00 64.13 H new ATOM 0 HG12 VAL A 15 9.845 4.045 5.125 1.00 64.13 H new ATOM 0 HG13 VAL A 15 8.129 4.385 4.801 1.00 64.13 H new ATOM 0 HG21 VAL A 15 7.559 1.693 3.405 1.00 23.30 H new ATOM 0 HG22 VAL A 15 7.019 3.266 2.769 1.00 23.30 H new ATOM 0 HG23 VAL A 15 8.003 2.185 1.753 1.00 23.30 H new ATOM 220 N SER A 16 11.861 4.607 2.934 1.00 54.11 N ATOM 221 CA SER A 16 13.043 5.222 3.526 1.00 33.03 C ATOM 222 C SER A 16 13.147 6.692 3.130 1.00 61.51 C ATOM 223 O SER A 16 13.596 7.528 3.915 1.00 51.13 O ATOM 224 CB SER A 16 14.305 4.474 3.092 1.00 75.10 C ATOM 225 OG SER A 16 15.362 4.679 4.013 1.00 14.12 O ATOM 0 H SER A 16 12.050 3.758 2.401 1.00 54.11 H new ATOM 0 HA SER A 16 12.949 5.162 4.610 1.00 33.03 H new ATOM 0 HB2 SER A 16 14.090 3.408 3.012 1.00 75.10 H new ATOM 0 HB3 SER A 16 14.610 4.813 2.102 1.00 75.10 H new ATOM 0 HG SER A 16 16.156 4.189 3.714 1.00 14.12 H new ATOM 231 N LEU A 17 12.730 6.999 1.907 1.00 72.33 N ATOM 232 CA LEU A 17 12.776 8.367 1.404 1.00 54.41 C ATOM 233 C LEU A 17 11.723 9.234 2.088 1.00 41.24 C ATOM 234 O LEU A 17 11.902 10.444 2.235 1.00 35.42 O ATOM 235 CB LEU A 17 12.560 8.383 -0.110 1.00 70.35 C ATOM 236 CG LEU A 17 13.822 8.491 -0.967 1.00 70.11 C ATOM 237 CD1 LEU A 17 14.472 9.855 -0.791 1.00 35.43 C ATOM 238 CD2 LEU A 17 14.802 7.382 -0.615 1.00 23.42 C ATOM 0 H LEU A 17 12.356 6.319 1.245 1.00 72.33 H new ATOM 0 HA LEU A 17 13.761 8.777 1.628 1.00 54.41 H new ATOM 0 HB2 LEU A 17 12.031 7.472 -0.391 1.00 70.35 H new ATOM 0 HB3 LEU A 17 11.906 9.220 -0.355 1.00 70.35 H new ATOM 0 HG LEU A 17 13.538 8.379 -2.013 1.00 70.11 H new ATOM 0 HD11 LEU A 17 15.368 9.913 -1.408 1.00 35.43 H new ATOM 0 HD12 LEU A 17 13.772 10.634 -1.094 1.00 35.43 H new ATOM 0 HD13 LEU A 17 14.742 9.997 0.255 1.00 35.43 H new ATOM 0 HD21 LEU A 17 15.694 7.474 -1.235 1.00 23.42 H new ATOM 0 HD22 LEU A 17 15.080 7.462 0.436 1.00 23.42 H new ATOM 0 HD23 LEU A 17 14.335 6.413 -0.794 1.00 23.42 H new ATOM 250 N ILE A 18 10.628 8.608 2.505 1.00 61.34 N ATOM 251 CA ILE A 18 9.549 9.322 3.176 1.00 70.51 C ATOM 252 C ILE A 18 10.009 9.876 4.520 1.00 61.21 C ATOM 253 O ILE A 18 9.782 11.044 4.831 1.00 3.03 O ATOM 254 CB ILE A 18 8.326 8.412 3.400 1.00 43.23 C ATOM 255 CG1 ILE A 18 7.963 7.682 2.105 1.00 32.23 C ATOM 256 CG2 ILE A 18 7.145 9.228 3.904 1.00 70.32 C ATOM 257 CD1 ILE A 18 6.741 6.800 2.232 1.00 34.41 C ATOM 0 H ILE A 18 10.465 7.608 2.390 1.00 61.34 H new ATOM 0 HA ILE A 18 9.263 10.147 2.524 1.00 70.51 H new ATOM 0 HB ILE A 18 8.578 7.668 4.156 1.00 43.23 H new ATOM 0 HG12 ILE A 18 7.791 8.417 1.319 1.00 32.23 H new ATOM 0 HG13 ILE A 18 8.810 7.072 1.791 1.00 32.23 H new ATOM 0 HG21 ILE A 18 6.288 8.572 4.058 1.00 70.32 H new ATOM 0 HG22 ILE A 18 7.409 9.706 4.847 1.00 70.32 H new ATOM 0 HG23 ILE A 18 6.890 9.991 3.169 1.00 70.32 H new ATOM 0 HD11 ILE A 18 6.542 6.314 1.277 1.00 34.41 H new ATOM 0 HD12 ILE A 18 6.917 6.042 2.995 1.00 34.41 H new ATOM 0 HD13 ILE A 18 5.882 7.408 2.516 1.00 34.41 H new ATOM 269 N ASN A 19 10.659 9.029 5.312 1.00 74.20 N ATOM 270 CA ASN A 19 11.153 9.434 6.623 1.00 55.21 C ATOM 271 C ASN A 19 12.116 10.611 6.501 1.00 11.02 C ATOM 272 O ASN A 19 12.319 11.361 7.455 1.00 24.05 O ATOM 273 CB ASN A 19 11.849 8.260 7.314 1.00 13.11 C ATOM 274 CG ASN A 19 12.698 8.702 8.490 1.00 15.54 C ATOM 275 OD1 ASN A 19 13.897 8.943 8.349 1.00 14.13 O ATOM 276 ND2 ASN A 19 12.077 8.811 9.660 1.00 42.44 N ATOM 0 H ASN A 19 10.856 8.058 5.069 1.00 74.20 H new ATOM 0 HA ASN A 19 10.300 9.746 7.225 1.00 55.21 H new ATOM 0 HB2 ASN A 19 11.099 7.548 7.658 1.00 13.11 H new ATOM 0 HB3 ASN A 19 12.477 7.738 6.592 1.00 13.11 H new ATOM 0 HD21 ASN A 19 12.596 9.105 10.487 1.00 42.44 H new ATOM 0 HD22 ASN A 19 11.081 8.601 9.730 1.00 42.44 H new ATOM 283 N ALA A 20 12.706 10.766 5.320 1.00 15.34 N ATOM 284 CA ALA A 20 13.645 11.853 5.073 1.00 61.24 C ATOM 285 C ALA A 20 12.952 13.208 5.160 1.00 3.43 C ATOM 286 O ALA A 20 13.601 14.237 5.348 1.00 73.13 O ATOM 287 CB ALA A 20 14.303 11.681 3.712 1.00 42.34 C ATOM 0 H ALA A 20 12.550 10.153 4.520 1.00 15.34 H new ATOM 0 HA ALA A 20 14.414 11.818 5.844 1.00 61.24 H new ATOM 0 HB1 ALA A 20 15.002 12.499 3.540 1.00 42.34 H new ATOM 0 HB2 ALA A 20 14.840 10.733 3.685 1.00 42.34 H new ATOM 0 HB3 ALA A 20 13.539 11.687 2.935 1.00 42.34 H new ATOM 293 N GLY A 21 11.630 13.202 5.023 1.00 53.13 N ATOM 294 CA GLY A 21 10.871 14.438 5.089 1.00 62.44 C ATOM 295 C GLY A 21 10.858 15.181 3.768 1.00 71.14 C ATOM 296 O GLY A 21 11.651 16.099 3.555 1.00 23.11 O ATOM 0 H GLY A 21 11.070 12.363 4.867 1.00 53.13 H new ATOM 0 HA2 GLY A 21 9.846 14.216 5.388 1.00 62.44 H new ATOM 0 HA3 GLY A 21 11.296 15.081 5.860 1.00 62.44 H new ATOM 300 N LEU A 22 9.956 14.784 2.876 1.00 24.14 N ATOM 301 CA LEU A 22 9.844 15.418 1.567 1.00 32.14 C ATOM 302 C LEU A 22 8.480 15.141 0.944 1.00 54.03 C ATOM 303 O LEU A 22 7.773 14.219 1.353 1.00 51.14 O ATOM 304 CB LEU A 22 10.952 14.918 0.640 1.00 64.34 C ATOM 305 CG LEU A 22 12.207 15.788 0.563 1.00 24.14 C ATOM 306 CD1 LEU A 22 13.232 15.166 -0.373 1.00 1.24 C ATOM 307 CD2 LEU A 22 11.853 17.196 0.109 1.00 0.43 C ATOM 0 H LEU A 22 9.292 14.026 3.036 1.00 24.14 H new ATOM 0 HA LEU A 22 9.950 16.494 1.701 1.00 32.14 H new ATOM 0 HB2 LEU A 22 11.246 13.920 0.964 1.00 64.34 H new ATOM 0 HB3 LEU A 22 10.541 14.819 -0.365 1.00 64.34 H new ATOM 0 HG LEU A 22 12.645 15.848 1.559 1.00 24.14 H new ATOM 0 HD11 LEU A 22 14.118 15.799 -0.415 1.00 1.24 H new ATOM 0 HD12 LEU A 22 13.509 14.178 -0.005 1.00 1.24 H new ATOM 0 HD13 LEU A 22 12.804 15.074 -1.371 1.00 1.24 H new ATOM 0 HD21 LEU A 22 12.758 17.801 0.060 1.00 0.43 H new ATOM 0 HD22 LEU A 22 11.390 17.155 -0.877 1.00 0.43 H new ATOM 0 HD23 LEU A 22 11.156 17.643 0.818 1.00 0.43 H new ATOM 319 N THR A 23 8.115 15.944 -0.051 1.00 43.40 N ATOM 320 CA THR A 23 6.837 15.786 -0.732 1.00 73.33 C ATOM 321 C THR A 23 6.878 14.620 -1.714 1.00 34.03 C ATOM 322 O THR A 23 7.947 14.218 -2.172 1.00 23.05 O ATOM 323 CB THR A 23 6.442 17.067 -1.491 1.00 35.13 C ATOM 324 OG1 THR A 23 7.608 17.692 -2.038 1.00 20.04 O ATOM 325 CG2 THR A 23 5.723 18.041 -0.570 1.00 34.03 C ATOM 0 H THR A 23 8.688 16.711 -0.403 1.00 43.40 H new ATOM 0 HA THR A 23 6.092 15.584 0.038 1.00 73.33 H new ATOM 0 HB THR A 23 5.766 16.790 -2.300 1.00 35.13 H new ATOM 0 HG1 THR A 23 7.348 18.505 -2.520 1.00 20.04 H new ATOM 0 HG21 THR A 23 5.454 18.938 -1.128 1.00 34.03 H new ATOM 0 HG22 THR A 23 4.820 17.572 -0.179 1.00 34.03 H new ATOM 0 HG23 THR A 23 6.379 18.311 0.257 1.00 34.03 H new ATOM 333 N VAL A 24 5.706 14.081 -2.034 1.00 34.41 N ATOM 334 CA VAL A 24 5.607 12.961 -2.963 1.00 45.42 C ATOM 335 C VAL A 24 6.356 13.255 -4.258 1.00 43.13 C ATOM 336 O VAL A 24 6.869 12.347 -4.911 1.00 5.14 O ATOM 337 CB VAL A 24 4.139 12.634 -3.295 1.00 4.32 C ATOM 338 CG1 VAL A 24 3.352 12.365 -2.022 1.00 34.41 C ATOM 339 CG2 VAL A 24 3.509 13.766 -4.092 1.00 72.12 C ATOM 0 H VAL A 24 4.811 14.402 -1.664 1.00 34.41 H new ATOM 0 HA VAL A 24 6.060 12.100 -2.471 1.00 45.42 H new ATOM 0 HB VAL A 24 4.114 11.732 -3.907 1.00 4.32 H new ATOM 0 HG11 VAL A 24 2.317 12.136 -2.276 1.00 34.41 H new ATOM 0 HG12 VAL A 24 3.792 11.519 -1.494 1.00 34.41 H new ATOM 0 HG13 VAL A 24 3.382 13.247 -1.382 1.00 34.41 H new ATOM 0 HG21 VAL A 24 2.472 13.518 -4.318 1.00 72.12 H new ATOM 0 HG22 VAL A 24 3.544 14.686 -3.508 1.00 72.12 H new ATOM 0 HG23 VAL A 24 4.060 13.906 -5.022 1.00 72.12 H new ATOM 349 N GLY A 25 6.415 14.532 -4.625 1.00 63.10 N ATOM 350 CA GLY A 25 7.104 14.923 -5.841 1.00 10.30 C ATOM 351 C GLY A 25 8.524 14.396 -5.898 1.00 41.33 C ATOM 352 O GLY A 25 8.982 13.940 -6.946 1.00 22.24 O ATOM 0 H GLY A 25 5.998 15.302 -4.102 1.00 63.10 H new ATOM 0 HA2 GLY A 25 6.548 14.555 -6.704 1.00 10.30 H new ATOM 0 HA3 GLY A 25 7.120 16.011 -5.912 1.00 10.30 H new ATOM 356 N SER A 26 9.224 14.461 -4.770 1.00 35.32 N ATOM 357 CA SER A 26 10.602 13.991 -4.697 1.00 42.22 C ATOM 358 C SER A 26 10.679 12.490 -4.958 1.00 22.02 C ATOM 359 O SER A 26 11.694 11.984 -5.438 1.00 73.25 O ATOM 360 CB SER A 26 11.202 14.314 -3.327 1.00 74.11 C ATOM 361 OG SER A 26 12.455 13.675 -3.155 1.00 74.33 O ATOM 0 H SER A 26 8.859 14.835 -3.894 1.00 35.32 H new ATOM 0 HA SER A 26 11.176 14.506 -5.467 1.00 42.22 H new ATOM 0 HB2 SER A 26 11.323 15.392 -3.225 1.00 74.11 H new ATOM 0 HB3 SER A 26 10.517 13.995 -2.542 1.00 74.11 H new ATOM 0 HG SER A 26 12.413 13.075 -2.381 1.00 74.33 H new ATOM 367 N ILE A 27 9.600 11.784 -4.637 1.00 42.12 N ATOM 368 CA ILE A 27 9.544 10.341 -4.837 1.00 44.43 C ATOM 369 C ILE A 27 9.661 9.987 -6.316 1.00 31.53 C ATOM 370 O ILE A 27 10.511 9.186 -6.707 1.00 35.30 O ATOM 371 CB ILE A 27 8.238 9.746 -4.279 1.00 63.33 C ATOM 372 CG1 ILE A 27 8.034 10.179 -2.826 1.00 44.32 C ATOM 373 CG2 ILE A 27 8.260 8.228 -4.387 1.00 11.30 C ATOM 374 CD1 ILE A 27 9.110 9.676 -1.889 1.00 34.12 C ATOM 0 H ILE A 27 8.753 12.188 -4.237 1.00 42.12 H new ATOM 0 HA ILE A 27 10.388 9.913 -4.296 1.00 44.43 H new ATOM 0 HB ILE A 27 7.403 10.122 -4.870 1.00 63.33 H new ATOM 0 HG12 ILE A 27 8.004 11.268 -2.781 1.00 44.32 H new ATOM 0 HG13 ILE A 27 7.065 9.819 -2.481 1.00 44.32 H new ATOM 0 HG21 ILE A 27 7.330 7.821 -3.989 1.00 11.30 H new ATOM 0 HG22 ILE A 27 8.364 7.939 -5.433 1.00 11.30 H new ATOM 0 HG23 ILE A 27 9.102 7.835 -3.817 1.00 11.30 H new ATOM 0 HD11 ILE A 27 8.901 10.021 -0.876 1.00 34.12 H new ATOM 0 HD12 ILE A 27 9.126 8.586 -1.905 1.00 34.12 H new ATOM 0 HD13 ILE A 27 10.079 10.058 -2.210 1.00 34.12 H new ATOM 386 N ILE A 28 8.803 10.589 -7.132 1.00 62.14 N ATOM 387 CA ILE A 28 8.812 10.339 -8.568 1.00 61.43 C ATOM 388 C ILE A 28 10.153 10.722 -9.185 1.00 23.52 C ATOM 389 O ILE A 28 10.609 10.097 -10.143 1.00 14.11 O ATOM 390 CB ILE A 28 7.691 11.116 -9.282 1.00 51.53 C ATOM 391 CG1 ILE A 28 6.326 10.728 -8.709 1.00 44.51 C ATOM 392 CG2 ILE A 28 7.736 10.855 -10.780 1.00 50.14 C ATOM 393 CD1 ILE A 28 5.219 11.690 -9.081 1.00 4.25 C ATOM 0 H ILE A 28 8.093 11.253 -6.824 1.00 62.14 H new ATOM 0 HA ILE A 28 8.645 9.270 -8.703 1.00 61.43 H new ATOM 0 HB ILE A 28 7.845 12.182 -9.114 1.00 51.53 H new ATOM 0 HG12 ILE A 28 6.063 9.731 -9.061 1.00 44.51 H new ATOM 0 HG13 ILE A 28 6.399 10.673 -7.623 1.00 44.51 H new ATOM 0 HG21 ILE A 28 6.937 11.411 -11.270 1.00 50.14 H new ATOM 0 HG22 ILE A 28 8.699 11.177 -11.177 1.00 50.14 H new ATOM 0 HG23 ILE A 28 7.604 9.789 -10.968 1.00 50.14 H new ATOM 0 HD11 ILE A 28 4.281 11.353 -8.641 1.00 4.25 H new ATOM 0 HD12 ILE A 28 5.459 12.684 -8.705 1.00 4.25 H new ATOM 0 HD13 ILE A 28 5.118 11.727 -10.166 1.00 4.25 H new ATOM 405 N SER A 29 10.782 11.751 -8.627 1.00 43.22 N ATOM 406 CA SER A 29 12.071 12.219 -9.123 1.00 42.22 C ATOM 407 C SER A 29 13.092 11.085 -9.139 1.00 14.14 C ATOM 408 O SER A 29 13.867 10.946 -10.085 1.00 51.01 O ATOM 409 CB SER A 29 12.586 13.372 -8.259 1.00 70.02 C ATOM 410 OG SER A 29 11.538 14.265 -7.924 1.00 2.23 O ATOM 0 H SER A 29 10.420 12.277 -7.831 1.00 43.22 H new ATOM 0 HA SER A 29 11.932 12.574 -10.144 1.00 42.22 H new ATOM 0 HB2 SER A 29 13.036 12.976 -7.348 1.00 70.02 H new ATOM 0 HB3 SER A 29 13.369 13.910 -8.793 1.00 70.02 H new ATOM 0 HG SER A 29 11.914 15.070 -7.510 1.00 2.23 H new ATOM 416 N ILE A 30 13.085 10.277 -8.084 1.00 11.55 N ATOM 417 CA ILE A 30 14.008 9.155 -7.975 1.00 45.05 C ATOM 418 C ILE A 30 13.558 7.987 -8.846 1.00 64.03 C ATOM 419 O ILE A 30 14.359 7.393 -9.570 1.00 51.21 O ATOM 420 CB ILE A 30 14.141 8.673 -6.519 1.00 1.34 C ATOM 421 CG1 ILE A 30 14.625 9.815 -5.623 1.00 0.51 C ATOM 422 CG2 ILE A 30 15.093 7.489 -6.437 1.00 12.11 C ATOM 423 CD1 ILE A 30 14.515 9.513 -4.145 1.00 31.40 C ATOM 0 H ILE A 30 12.450 10.379 -7.292 1.00 11.55 H new ATOM 0 HA ILE A 30 14.979 9.511 -8.320 1.00 45.05 H new ATOM 0 HB ILE A 30 13.161 8.351 -6.168 1.00 1.34 H new ATOM 0 HG12 ILE A 30 15.664 10.039 -5.863 1.00 0.51 H new ATOM 0 HG13 ILE A 30 14.046 10.711 -5.846 1.00 0.51 H new ATOM 0 HG21 ILE A 30 15.176 7.160 -5.401 1.00 12.11 H new ATOM 0 HG22 ILE A 30 14.710 6.671 -7.048 1.00 12.11 H new ATOM 0 HG23 ILE A 30 16.076 7.786 -6.803 1.00 12.11 H new ATOM 0 HD11 ILE A 30 14.876 10.367 -3.571 1.00 31.40 H new ATOM 0 HD12 ILE A 30 13.473 9.319 -3.890 1.00 31.40 H new ATOM 0 HD13 ILE A 30 15.117 8.636 -3.907 1.00 31.40 H new ATOM 435 N LEU A 31 12.272 7.663 -8.773 1.00 42.01 N ATOM 436 CA LEU A 31 11.714 6.566 -9.557 1.00 14.54 C ATOM 437 C LEU A 31 12.017 6.748 -11.040 1.00 74.24 C ATOM 438 O LEU A 31 12.364 5.793 -11.735 1.00 14.42 O ATOM 439 CB LEU A 31 10.202 6.477 -9.340 1.00 51.42 C ATOM 440 CG LEU A 31 9.738 5.542 -8.224 1.00 33.54 C ATOM 441 CD1 LEU A 31 10.105 4.102 -8.547 1.00 75.50 C ATOM 442 CD2 LEU A 31 10.341 5.961 -6.891 1.00 13.01 C ATOM 0 H LEU A 31 11.596 8.144 -8.179 1.00 42.01 H new ATOM 0 HA LEU A 31 12.178 5.639 -9.222 1.00 14.54 H new ATOM 0 HB2 LEU A 31 9.826 7.478 -9.128 1.00 51.42 H new ATOM 0 HB3 LEU A 31 9.740 6.154 -10.273 1.00 51.42 H new ATOM 0 HG LEU A 31 8.653 5.611 -8.147 1.00 33.54 H new ATOM 0 HD11 LEU A 31 9.767 3.451 -7.741 1.00 75.50 H new ATOM 0 HD12 LEU A 31 9.625 3.805 -9.479 1.00 75.50 H new ATOM 0 HD13 LEU A 31 11.187 4.017 -8.652 1.00 75.50 H new ATOM 0 HD21 LEU A 31 9.999 5.284 -6.108 1.00 13.01 H new ATOM 0 HD22 LEU A 31 11.428 5.922 -6.955 1.00 13.01 H new ATOM 0 HD23 LEU A 31 10.028 6.978 -6.653 1.00 13.01 H new ATOM 454 N GLY A 32 11.885 7.981 -11.520 1.00 13.01 N ATOM 455 CA GLY A 32 12.150 8.266 -12.918 1.00 22.40 C ATOM 456 C GLY A 32 11.294 7.434 -13.852 1.00 34.22 C ATOM 457 O GLY A 32 11.783 6.904 -14.848 1.00 44.13 O ATOM 0 H GLY A 32 11.599 8.788 -10.965 1.00 13.01 H new ATOM 0 HA2 GLY A 32 11.970 9.324 -13.110 1.00 22.40 H new ATOM 0 HA3 GLY A 32 13.202 8.078 -13.131 1.00 22.40 H new ATOM 461 N GLY A 33 10.009 7.317 -13.528 1.00 62.10 N ATOM 462 CA GLY A 33 9.104 6.541 -14.355 1.00 34.45 C ATOM 463 C GLY A 33 7.716 7.146 -14.420 1.00 55.13 C ATOM 464 O GLY A 33 7.486 8.246 -13.918 1.00 14.22 O ATOM 0 H GLY A 33 9.580 7.746 -12.708 1.00 62.10 H new ATOM 0 HA2 GLY A 33 9.512 6.466 -15.363 1.00 34.45 H new ATOM 0 HA3 GLY A 33 9.037 5.527 -13.962 1.00 34.45 H new ATOM 468 N VAL A 34 6.787 6.427 -15.043 1.00 51.44 N ATOM 469 CA VAL A 34 5.414 6.901 -15.174 1.00 70.40 C ATOM 470 C VAL A 34 4.643 6.716 -13.872 1.00 11.11 C ATOM 471 O VAL A 34 3.624 6.025 -13.832 1.00 64.13 O ATOM 472 CB VAL A 34 4.672 6.165 -16.306 1.00 21.02 C ATOM 473 CG1 VAL A 34 3.339 6.838 -16.596 1.00 20.40 C ATOM 474 CG2 VAL A 34 5.534 6.108 -17.558 1.00 52.11 C ATOM 0 H VAL A 34 6.960 5.515 -15.465 1.00 51.44 H new ATOM 0 HA VAL A 34 5.467 7.963 -15.414 1.00 70.40 H new ATOM 0 HB VAL A 34 4.473 5.143 -15.983 1.00 21.02 H new ATOM 0 HG11 VAL A 34 2.829 6.305 -17.398 1.00 20.40 H new ATOM 0 HG12 VAL A 34 2.720 6.822 -15.699 1.00 20.40 H new ATOM 0 HG13 VAL A 34 3.511 7.871 -16.899 1.00 20.40 H new ATOM 0 HG21 VAL A 34 4.995 5.585 -18.348 1.00 52.11 H new ATOM 0 HG22 VAL A 34 5.766 7.121 -17.887 1.00 52.11 H new ATOM 0 HG23 VAL A 34 6.460 5.577 -17.338 1.00 52.11 H new ATOM 484 N THR A 35 5.135 7.340 -12.806 1.00 31.44 N ATOM 485 CA THR A 35 4.493 7.244 -11.501 1.00 0.23 C ATOM 486 C THR A 35 3.409 8.304 -11.342 1.00 42.42 C ATOM 487 O THR A 35 2.840 8.468 -10.263 1.00 3.51 O ATOM 488 CB THR A 35 5.516 7.397 -10.359 1.00 53.21 C ATOM 489 OG1 THR A 35 6.634 8.174 -10.804 1.00 33.34 O ATOM 490 CG2 THR A 35 5.996 6.037 -9.877 1.00 64.32 C ATOM 0 H THR A 35 5.976 7.917 -12.821 1.00 31.44 H new ATOM 0 HA THR A 35 4.040 6.254 -11.444 1.00 0.23 H new ATOM 0 HB THR A 35 5.028 7.907 -9.529 1.00 53.21 H new ATOM 0 HG1 THR A 35 7.419 7.961 -10.257 1.00 33.34 H new ATOM 0 HG21 THR A 35 6.717 6.170 -9.071 1.00 64.32 H new ATOM 0 HG22 THR A 35 5.147 5.460 -9.512 1.00 64.32 H new ATOM 0 HG23 THR A 35 6.469 5.505 -10.702 1.00 64.32 H new ATOM 498 N VAL A 36 3.127 9.022 -12.425 1.00 1.21 N ATOM 499 CA VAL A 36 2.109 10.066 -12.406 1.00 44.12 C ATOM 500 C VAL A 36 0.756 9.506 -11.984 1.00 54.24 C ATOM 501 O VAL A 36 0.033 8.925 -12.793 1.00 0.21 O ATOM 502 CB VAL A 36 1.968 10.737 -13.786 1.00 20.24 C ATOM 503 CG1 VAL A 36 0.939 11.856 -13.732 1.00 62.24 C ATOM 504 CG2 VAL A 36 3.314 11.261 -14.263 1.00 71.11 C ATOM 0 H VAL A 36 3.589 8.900 -13.326 1.00 1.21 H new ATOM 0 HA VAL A 36 2.433 10.811 -11.679 1.00 44.12 H new ATOM 0 HB VAL A 36 1.621 9.991 -14.501 1.00 20.24 H new ATOM 0 HG11 VAL A 36 0.853 12.319 -14.715 1.00 62.24 H new ATOM 0 HG12 VAL A 36 -0.028 11.448 -13.437 1.00 62.24 H new ATOM 0 HG13 VAL A 36 1.254 12.605 -13.005 1.00 62.24 H new ATOM 0 HG21 VAL A 36 3.196 11.732 -15.239 1.00 71.11 H new ATOM 0 HG22 VAL A 36 3.693 11.994 -13.550 1.00 71.11 H new ATOM 0 HG23 VAL A 36 4.019 10.434 -14.342 1.00 71.11 H new ATOM 514 N GLY A 37 0.418 9.686 -10.711 1.00 34.10 N ATOM 515 CA GLY A 37 -0.850 9.193 -10.203 1.00 45.32 C ATOM 516 C GLY A 37 -0.741 8.668 -8.785 1.00 71.05 C ATOM 517 O GLY A 37 -1.510 9.064 -7.908 1.00 44.01 O ATOM 0 H GLY A 37 0.999 10.164 -10.022 1.00 34.10 H new ATOM 0 HA2 GLY A 37 -1.587 9.995 -10.235 1.00 45.32 H new ATOM 0 HA3 GLY A 37 -1.215 8.399 -10.854 1.00 45.32 H new ATOM 521 N LEU A 38 0.214 7.773 -8.560 1.00 32.45 N ATOM 522 CA LEU A 38 0.419 7.190 -7.238 1.00 4.21 C ATOM 523 C LEU A 38 0.708 8.274 -6.204 1.00 74.00 C ATOM 524 O LEU A 38 0.495 8.077 -5.008 1.00 30.03 O ATOM 525 CB LEU A 38 1.572 6.186 -7.275 1.00 63.53 C ATOM 526 CG LEU A 38 1.189 4.734 -7.567 1.00 52.43 C ATOM 527 CD1 LEU A 38 0.339 4.650 -8.825 1.00 75.23 C ATOM 528 CD2 LEU A 38 2.434 3.871 -7.704 1.00 63.22 C ATOM 0 H LEU A 38 0.858 7.435 -9.275 1.00 32.45 H new ATOM 0 HA LEU A 38 -0.496 6.673 -6.950 1.00 4.21 H new ATOM 0 HB2 LEU A 38 2.286 6.511 -8.031 1.00 63.53 H new ATOM 0 HB3 LEU A 38 2.087 6.219 -6.315 1.00 63.53 H new ATOM 0 HG LEU A 38 0.601 4.358 -6.730 1.00 52.43 H new ATOM 0 HD11 LEU A 38 0.076 3.610 -9.017 1.00 75.23 H new ATOM 0 HD12 LEU A 38 -0.570 5.235 -8.689 1.00 75.23 H new ATOM 0 HD13 LEU A 38 0.902 5.044 -9.671 1.00 75.23 H new ATOM 0 HD21 LEU A 38 2.142 2.842 -7.912 1.00 63.22 H new ATOM 0 HD22 LEU A 38 3.048 4.246 -8.523 1.00 63.22 H new ATOM 0 HD23 LEU A 38 3.005 3.906 -6.776 1.00 63.22 H new ATOM 540 N SER A 39 1.191 9.420 -6.674 1.00 71.51 N ATOM 541 CA SER A 39 1.510 10.535 -5.790 1.00 72.33 C ATOM 542 C SER A 39 0.295 10.933 -4.958 1.00 55.13 C ATOM 543 O SER A 39 0.429 11.493 -3.871 1.00 71.30 O ATOM 544 CB SER A 39 2.000 11.734 -6.604 1.00 24.31 C ATOM 545 OG SER A 39 3.408 11.700 -6.765 1.00 31.45 O ATOM 0 H SER A 39 1.370 9.600 -7.662 1.00 71.51 H new ATOM 0 HA SER A 39 2.303 10.216 -5.114 1.00 72.33 H new ATOM 0 HB2 SER A 39 1.519 11.735 -7.582 1.00 24.31 H new ATOM 0 HB3 SER A 39 1.710 12.659 -6.106 1.00 24.31 H new ATOM 0 HG SER A 39 3.733 12.596 -6.995 1.00 31.45 H new ATOM 551 N GLY A 40 -0.893 10.640 -5.479 1.00 33.11 N ATOM 552 CA GLY A 40 -2.116 10.974 -4.772 1.00 40.33 C ATOM 553 C GLY A 40 -2.372 10.059 -3.592 1.00 32.33 C ATOM 554 O GLY A 40 -2.943 10.477 -2.585 1.00 14.14 O ATOM 0 H GLY A 40 -1.030 10.177 -6.378 1.00 33.11 H new ATOM 0 HA2 GLY A 40 -2.060 12.005 -4.423 1.00 40.33 H new ATOM 0 HA3 GLY A 40 -2.958 10.916 -5.462 1.00 40.33 H new ATOM 558 N VAL A 41 -1.950 8.804 -3.715 1.00 53.21 N ATOM 559 CA VAL A 41 -2.138 7.826 -2.650 1.00 42.31 C ATOM 560 C VAL A 41 -0.918 7.767 -1.738 1.00 22.23 C ATOM 561 O VAL A 41 -1.018 7.379 -0.574 1.00 30.34 O ATOM 562 CB VAL A 41 -2.408 6.421 -3.220 1.00 13.04 C ATOM 563 CG1 VAL A 41 -3.691 6.414 -4.037 1.00 63.14 C ATOM 564 CG2 VAL A 41 -1.229 5.950 -4.058 1.00 12.24 C ATOM 0 H VAL A 41 -1.476 8.441 -4.542 1.00 53.21 H new ATOM 0 HA VAL A 41 -3.005 8.148 -2.073 1.00 42.31 H new ATOM 0 HB VAL A 41 -2.532 5.728 -2.388 1.00 13.04 H new ATOM 0 HG11 VAL A 41 -3.866 5.413 -4.432 1.00 63.14 H new ATOM 0 HG12 VAL A 41 -4.528 6.705 -3.402 1.00 63.14 H new ATOM 0 HG13 VAL A 41 -3.600 7.119 -4.863 1.00 63.14 H new ATOM 0 HG21 VAL A 41 -1.437 4.956 -4.453 1.00 12.24 H new ATOM 0 HG22 VAL A 41 -1.070 6.643 -4.885 1.00 12.24 H new ATOM 0 HG23 VAL A 41 -0.333 5.914 -3.438 1.00 12.24 H new ATOM 574 N PHE A 42 0.235 8.154 -2.274 1.00 13.50 N ATOM 575 CA PHE A 42 1.476 8.145 -1.508 1.00 53.03 C ATOM 576 C PHE A 42 1.332 8.966 -0.230 1.00 23.20 C ATOM 577 O PHE A 42 1.563 8.467 0.872 1.00 31.30 O ATOM 578 CB PHE A 42 2.626 8.695 -2.354 1.00 70.43 C ATOM 579 CG PHE A 42 3.985 8.347 -1.817 1.00 12.33 C ATOM 580 CD1 PHE A 42 4.587 9.141 -0.854 1.00 41.41 C ATOM 581 CD2 PHE A 42 4.659 7.227 -2.273 1.00 64.43 C ATOM 582 CE1 PHE A 42 5.838 8.824 -0.358 1.00 53.44 C ATOM 583 CE2 PHE A 42 5.910 6.904 -1.781 1.00 1.31 C ATOM 584 CZ PHE A 42 6.499 7.704 -0.821 1.00 64.13 C ATOM 0 H PHE A 42 0.336 8.478 -3.236 1.00 13.50 H new ATOM 0 HA PHE A 42 1.697 7.114 -1.233 1.00 53.03 H new ATOM 0 HB2 PHE A 42 2.536 8.310 -3.370 1.00 70.43 H new ATOM 0 HB3 PHE A 42 2.535 9.779 -2.415 1.00 70.43 H new ATOM 0 HD1 PHE A 42 4.073 10.017 -0.487 1.00 41.41 H new ATOM 0 HD2 PHE A 42 4.202 6.598 -3.022 1.00 64.43 H new ATOM 0 HE1 PHE A 42 6.298 9.452 0.391 1.00 53.44 H new ATOM 0 HE2 PHE A 42 6.426 6.028 -2.146 1.00 1.31 H new ATOM 0 HZ PHE A 42 7.475 7.454 -0.433 1.00 64.13 H new ATOM 594 N THR A 43 0.950 10.230 -0.385 1.00 22.30 N ATOM 595 CA THR A 43 0.777 11.121 0.755 1.00 44.31 C ATOM 596 C THR A 43 -0.215 10.545 1.758 1.00 20.03 C ATOM 597 O THR A 43 -0.023 10.656 2.969 1.00 55.22 O ATOM 598 CB THR A 43 0.291 12.514 0.311 1.00 72.55 C ATOM 599 OG1 THR A 43 0.056 13.339 1.457 1.00 53.24 O ATOM 600 CG2 THR A 43 -0.984 12.404 -0.512 1.00 52.00 C ATOM 0 H THR A 43 0.755 10.659 -1.289 1.00 22.30 H new ATOM 0 HA THR A 43 1.753 11.219 1.230 1.00 44.31 H new ATOM 0 HB THR A 43 1.066 12.966 -0.308 1.00 72.55 H new ATOM 0 HG1 THR A 43 -0.251 14.223 1.166 1.00 53.24 H new ATOM 0 HG21 THR A 43 -1.309 13.400 -0.815 1.00 52.00 H new ATOM 0 HG22 THR A 43 -0.794 11.799 -1.399 1.00 52.00 H new ATOM 0 HG23 THR A 43 -1.764 11.934 0.087 1.00 52.00 H new ATOM 608 N ALA A 44 -1.275 9.928 1.247 1.00 14.21 N ATOM 609 CA ALA A 44 -2.297 9.332 2.099 1.00 24.22 C ATOM 610 C ALA A 44 -1.720 8.192 2.932 1.00 43.01 C ATOM 611 O ALA A 44 -2.101 7.998 4.086 1.00 12.22 O ATOM 612 CB ALA A 44 -3.463 8.835 1.257 1.00 5.21 C ATOM 0 H ALA A 44 -1.449 9.828 0.247 1.00 14.21 H new ATOM 0 HA ALA A 44 -2.659 10.100 2.782 1.00 24.22 H new ATOM 0 HB1 ALA A 44 -4.218 8.393 1.907 1.00 5.21 H new ATOM 0 HB2 ALA A 44 -3.899 9.671 0.710 1.00 5.21 H new ATOM 0 HB3 ALA A 44 -3.108 8.085 0.550 1.00 5.21 H new ATOM 618 N VAL A 45 -0.799 7.439 2.339 1.00 44.33 N ATOM 619 CA VAL A 45 -0.169 6.318 3.026 1.00 4.42 C ATOM 620 C VAL A 45 0.753 6.804 4.139 1.00 2.20 C ATOM 621 O VAL A 45 0.867 6.169 5.188 1.00 44.23 O ATOM 622 CB VAL A 45 0.640 5.444 2.050 1.00 61.14 C ATOM 623 CG1 VAL A 45 1.312 4.297 2.790 1.00 14.30 C ATOM 624 CG2 VAL A 45 -0.256 4.919 0.938 1.00 43.53 C ATOM 0 H VAL A 45 -0.473 7.585 1.384 1.00 44.33 H new ATOM 0 HA VAL A 45 -0.972 5.720 3.457 1.00 4.42 H new ATOM 0 HB VAL A 45 1.419 6.059 1.599 1.00 61.14 H new ATOM 0 HG11 VAL A 45 1.879 3.691 2.083 1.00 14.30 H new ATOM 0 HG12 VAL A 45 1.986 4.698 3.547 1.00 14.30 H new ATOM 0 HG13 VAL A 45 0.553 3.680 3.270 1.00 14.30 H new ATOM 0 HG21 VAL A 45 0.332 4.303 0.257 1.00 43.53 H new ATOM 0 HG22 VAL A 45 -1.058 4.319 1.369 1.00 43.53 H new ATOM 0 HG23 VAL A 45 -0.685 5.758 0.390 1.00 43.53 H new ATOM 634 N LYS A 46 1.410 7.935 3.904 1.00 12.23 N ATOM 635 CA LYS A 46 2.321 8.509 4.887 1.00 43.31 C ATOM 636 C LYS A 46 1.602 8.776 6.205 1.00 24.15 C ATOM 637 O LYS A 46 2.061 8.358 7.268 1.00 13.45 O ATOM 638 CB LYS A 46 2.928 9.809 4.352 1.00 35.14 C ATOM 639 CG LYS A 46 3.929 10.448 5.299 1.00 35.35 C ATOM 640 CD LYS A 46 3.995 11.954 5.108 1.00 34.41 C ATOM 641 CE LYS A 46 5.033 12.338 4.066 1.00 64.03 C ATOM 642 NZ LYS A 46 4.620 11.930 2.694 1.00 25.24 N ATOM 0 H LYS A 46 1.328 8.472 3.041 1.00 12.23 H new ATOM 0 HA LYS A 46 3.120 7.790 5.069 1.00 43.31 H new ATOM 0 HB2 LYS A 46 3.419 9.606 3.400 1.00 35.14 H new ATOM 0 HB3 LYS A 46 2.126 10.519 4.151 1.00 35.14 H new ATOM 0 HG2 LYS A 46 3.652 10.223 6.329 1.00 35.35 H new ATOM 0 HG3 LYS A 46 4.916 10.016 5.133 1.00 35.35 H new ATOM 0 HD2 LYS A 46 3.017 12.326 4.803 1.00 34.41 H new ATOM 0 HD3 LYS A 46 4.237 12.432 6.057 1.00 34.41 H new ATOM 0 HE2 LYS A 46 5.192 13.416 4.092 1.00 64.03 H new ATOM 0 HE3 LYS A 46 5.986 11.869 4.313 1.00 64.03 H new ATOM 0 HZ1 LYS A 46 5.089 12.540 1.994 1.00 25.24 H new ATOM 0 HZ2 LYS A 46 4.894 10.940 2.529 1.00 25.24 H new ATOM 0 HZ3 LYS A 46 3.589 12.024 2.599 1.00 25.24 H new ATOM 656 N ALA A 47 0.473 9.472 6.128 1.00 2.53 N ATOM 657 CA ALA A 47 -0.310 9.791 7.315 1.00 14.23 C ATOM 658 C ALA A 47 -0.704 8.526 8.069 1.00 34.41 C ATOM 659 O ALA A 47 -0.828 8.534 9.293 1.00 10.25 O ATOM 660 CB ALA A 47 -1.549 10.587 6.932 1.00 74.32 C ATOM 0 H ALA A 47 0.080 9.826 5.256 1.00 2.53 H new ATOM 0 HA ALA A 47 0.309 10.398 7.976 1.00 14.23 H new ATOM 0 HB1 ALA A 47 -2.124 10.818 7.828 1.00 74.32 H new ATOM 0 HB2 ALA A 47 -1.249 11.514 6.444 1.00 74.32 H new ATOM 0 HB3 ALA A 47 -2.162 9.999 6.249 1.00 74.32 H new ATOM 666 N ALA A 48 -0.901 7.439 7.330 1.00 61.13 N ATOM 667 CA ALA A 48 -1.280 6.165 7.929 1.00 43.30 C ATOM 668 C ALA A 48 -0.249 5.715 8.959 1.00 51.12 C ATOM 669 O ALA A 48 -0.584 5.035 9.929 1.00 1.02 O ATOM 670 CB ALA A 48 -1.450 5.105 6.851 1.00 30.23 C ATOM 0 H ALA A 48 -0.804 7.415 6.315 1.00 61.13 H new ATOM 0 HA ALA A 48 -2.232 6.301 8.442 1.00 43.30 H new ATOM 0 HB1 ALA A 48 -1.733 4.159 7.312 1.00 30.23 H new ATOM 0 HB2 ALA A 48 -2.228 5.416 6.154 1.00 30.23 H new ATOM 0 HB3 ALA A 48 -0.511 4.979 6.313 1.00 30.23 H new ATOM 676 N ILE A 49 1.004 6.098 8.741 1.00 65.23 N ATOM 677 CA ILE A 49 2.083 5.733 9.651 1.00 42.23 C ATOM 678 C ILE A 49 1.783 6.195 11.072 1.00 11.54 C ATOM 679 O ILE A 49 1.775 5.395 12.007 1.00 15.44 O ATOM 680 CB ILE A 49 3.427 6.335 9.200 1.00 3.22 C ATOM 681 CG1 ILE A 49 3.775 5.862 7.787 1.00 11.13 C ATOM 682 CG2 ILE A 49 4.531 5.958 10.177 1.00 34.04 C ATOM 683 CD1 ILE A 49 4.952 6.591 7.179 1.00 65.04 C ATOM 0 H ILE A 49 1.297 6.661 7.943 1.00 65.23 H new ATOM 0 HA ILE A 49 2.157 4.646 9.633 1.00 42.23 H new ATOM 0 HB ILE A 49 3.335 7.421 9.187 1.00 3.22 H new ATOM 0 HG12 ILE A 49 3.993 4.794 7.813 1.00 11.13 H new ATOM 0 HG13 ILE A 49 2.905 5.994 7.144 1.00 11.13 H new ATOM 0 HG21 ILE A 49 5.475 6.391 9.845 1.00 34.04 H new ATOM 0 HG22 ILE A 49 4.286 6.340 11.168 1.00 34.04 H new ATOM 0 HG23 ILE A 49 4.625 4.873 10.219 1.00 34.04 H new ATOM 0 HD11 ILE A 49 5.142 6.204 6.178 1.00 65.04 H new ATOM 0 HD12 ILE A 49 4.729 7.656 7.120 1.00 65.04 H new ATOM 0 HD13 ILE A 49 5.835 6.439 7.800 1.00 65.04 H new ATOM 695 N ALA A 50 1.535 7.492 11.227 1.00 20.13 N ATOM 696 CA ALA A 50 1.230 8.061 12.534 1.00 21.43 C ATOM 697 C ALA A 50 -0.058 7.473 13.102 1.00 44.13 C ATOM 698 O ALA A 50 -0.265 7.462 14.315 1.00 34.42 O ATOM 699 CB ALA A 50 1.124 9.575 12.439 1.00 3.42 C ATOM 0 H ALA A 50 1.539 8.168 10.463 1.00 20.13 H new ATOM 0 HA ALA A 50 2.045 7.807 13.212 1.00 21.43 H new ATOM 0 HB1 ALA A 50 0.896 9.986 13.422 1.00 3.42 H new ATOM 0 HB2 ALA A 50 2.070 9.984 12.085 1.00 3.42 H new ATOM 0 HB3 ALA A 50 0.330 9.841 11.741 1.00 3.42 H new ATOM 705 N LYS A 51 -0.921 6.986 12.216 1.00 4.25 N ATOM 706 CA LYS A 51 -2.189 6.396 12.628 1.00 2.12 C ATOM 707 C LYS A 51 -1.981 4.989 13.180 1.00 3.52 C ATOM 708 O LYS A 51 -2.542 4.630 14.215 1.00 42.50 O ATOM 709 CB LYS A 51 -3.162 6.353 11.448 1.00 51.50 C ATOM 710 CG LYS A 51 -4.536 5.817 11.811 1.00 23.44 C ATOM 711 CD LYS A 51 -5.217 5.173 10.616 1.00 61.54 C ATOM 712 CE LYS A 51 -6.731 5.185 10.763 1.00 23.43 C ATOM 713 NZ LYS A 51 -7.194 4.225 11.803 1.00 32.23 N ATOM 0 H LYS A 51 -0.765 6.988 11.208 1.00 4.25 H new ATOM 0 HA LYS A 51 -2.611 7.018 13.417 1.00 2.12 H new ATOM 0 HB2 LYS A 51 -3.270 7.358 11.040 1.00 51.50 H new ATOM 0 HB3 LYS A 51 -2.736 5.733 10.659 1.00 51.50 H new ATOM 0 HG2 LYS A 51 -4.442 5.086 12.614 1.00 23.44 H new ATOM 0 HG3 LYS A 51 -5.156 6.629 12.190 1.00 23.44 H new ATOM 0 HD2 LYS A 51 -4.935 5.703 9.706 1.00 61.54 H new ATOM 0 HD3 LYS A 51 -4.869 4.146 10.508 1.00 61.54 H new ATOM 0 HE2 LYS A 51 -7.063 6.190 11.023 1.00 23.43 H new ATOM 0 HE3 LYS A 51 -7.191 4.935 9.807 1.00 23.43 H new ATOM 0 HZ1 LYS A 51 -8.231 4.263 11.873 1.00 32.23 H new ATOM 0 HZ2 LYS A 51 -6.899 3.262 11.543 1.00 32.23 H new ATOM 0 HZ3 LYS A 51 -6.775 4.479 12.721 1.00 32.23 H new ATOM 727 N GLN A 52 -1.170 4.199 12.484 1.00 52.23 N ATOM 728 CA GLN A 52 -0.888 2.832 12.906 1.00 52.42 C ATOM 729 C GLN A 52 0.609 2.622 13.105 1.00 62.04 C ATOM 730 O GLN A 52 1.092 2.551 14.234 1.00 33.20 O ATOM 731 CB GLN A 52 -1.423 1.837 11.874 1.00 4.15 C ATOM 732 CG GLN A 52 -2.883 1.470 12.083 1.00 51.42 C ATOM 733 CD GLN A 52 -3.553 0.997 10.808 1.00 34.32 C ATOM 734 OE1 GLN A 52 -3.321 1.544 9.730 1.00 2.52 O ATOM 735 NE2 GLN A 52 -4.391 -0.027 10.925 1.00 54.22 N ATOM 0 H GLN A 52 -0.697 4.482 11.626 1.00 52.23 H new ATOM 0 HA GLN A 52 -1.390 2.661 13.859 1.00 52.42 H new ATOM 0 HB2 GLN A 52 -1.303 2.260 10.877 1.00 4.15 H new ATOM 0 HB3 GLN A 52 -0.820 0.930 11.910 1.00 4.15 H new ATOM 0 HG2 GLN A 52 -2.953 0.687 12.838 1.00 51.42 H new ATOM 0 HG3 GLN A 52 -3.419 2.336 12.472 1.00 51.42 H new ATOM 0 HE21 GLN A 52 -4.554 -0.451 11.838 1.00 54.22 H new ATOM 0 HE22 GLN A 52 -4.871 -0.390 10.101 1.00 54.22 H new ATOM 744 N GLY A 53 1.340 2.523 11.998 1.00 20.32 N ATOM 745 CA GLY A 53 2.775 2.321 12.073 1.00 62.21 C ATOM 746 C GLY A 53 3.406 2.133 10.707 1.00 21.04 C ATOM 747 O GLY A 53 2.746 1.691 9.767 1.00 73.31 O ATOM 0 H GLY A 53 0.964 2.579 11.052 1.00 20.32 H new ATOM 0 HA2 GLY A 53 3.234 3.177 12.567 1.00 62.21 H new ATOM 0 HA3 GLY A 53 2.984 1.447 12.690 1.00 62.21 H new ATOM 751 N ILE A 54 4.686 2.471 10.597 1.00 24.15 N ATOM 752 CA ILE A 54 5.406 2.337 9.337 1.00 54.53 C ATOM 753 C ILE A 54 5.247 0.935 8.759 1.00 10.12 C ATOM 754 O ILE A 54 5.169 0.757 7.543 1.00 4.23 O ATOM 755 CB ILE A 54 6.905 2.643 9.509 1.00 62.00 C ATOM 756 CG1 ILE A 54 7.482 1.837 10.675 1.00 73.55 C ATOM 757 CG2 ILE A 54 7.120 4.133 9.731 1.00 62.41 C ATOM 758 CD1 ILE A 54 8.959 2.072 10.900 1.00 72.32 C ATOM 0 H ILE A 54 5.246 2.840 11.366 1.00 24.15 H new ATOM 0 HA ILE A 54 4.973 3.062 8.648 1.00 54.53 H new ATOM 0 HB ILE A 54 7.427 2.352 8.597 1.00 62.00 H new ATOM 0 HG12 ILE A 54 6.939 2.091 11.585 1.00 73.55 H new ATOM 0 HG13 ILE A 54 7.315 0.776 10.490 1.00 73.55 H new ATOM 0 HG21 ILE A 54 8.185 4.333 9.851 1.00 62.41 H new ATOM 0 HG22 ILE A 54 6.741 4.687 8.872 1.00 62.41 H new ATOM 0 HG23 ILE A 54 6.588 4.447 10.629 1.00 62.41 H new ATOM 0 HD11 ILE A 54 9.299 1.469 11.742 1.00 72.32 H new ATOM 0 HD12 ILE A 54 9.513 1.791 10.004 1.00 72.32 H new ATOM 0 HD13 ILE A 54 9.131 3.126 11.117 1.00 72.32 H new ATOM 770 N LYS A 55 5.198 -0.059 9.639 1.00 34.12 N ATOM 771 CA LYS A 55 5.045 -1.447 9.219 1.00 52.12 C ATOM 772 C LYS A 55 3.835 -1.608 8.304 1.00 61.12 C ATOM 773 O LYS A 55 3.919 -2.242 7.252 1.00 44.14 O ATOM 774 CB LYS A 55 4.899 -2.358 10.440 1.00 63.13 C ATOM 775 CG LYS A 55 3.820 -1.908 11.409 1.00 20.32 C ATOM 776 CD LYS A 55 3.853 -2.717 12.695 1.00 61.20 C ATOM 777 CE LYS A 55 3.285 -4.113 12.490 1.00 70.20 C ATOM 778 NZ LYS A 55 1.848 -4.076 12.101 1.00 10.41 N ATOM 0 H LYS A 55 5.262 0.071 10.649 1.00 34.12 H new ATOM 0 HA LYS A 55 5.939 -1.733 8.665 1.00 52.12 H new ATOM 0 HB2 LYS A 55 4.674 -3.370 10.103 1.00 63.13 H new ATOM 0 HB3 LYS A 55 5.853 -2.402 10.966 1.00 63.13 H new ATOM 0 HG2 LYS A 55 3.954 -0.851 11.639 1.00 20.32 H new ATOM 0 HG3 LYS A 55 2.842 -2.010 10.939 1.00 20.32 H new ATOM 0 HD2 LYS A 55 4.880 -2.790 13.054 1.00 61.20 H new ATOM 0 HD3 LYS A 55 3.282 -2.200 13.466 1.00 61.20 H new ATOM 0 HE2 LYS A 55 3.857 -4.628 11.718 1.00 70.20 H new ATOM 0 HE3 LYS A 55 3.398 -4.689 13.408 1.00 70.20 H new ATOM 0 HZ1 LYS A 55 1.420 -5.009 12.265 1.00 10.41 H new ATOM 0 HZ2 LYS A 55 1.352 -3.362 12.672 1.00 10.41 H new ATOM 0 HZ3 LYS A 55 1.767 -3.830 11.094 1.00 10.41 H new ATOM 792 N LYS A 56 2.710 -1.030 8.710 1.00 2.44 N ATOM 793 CA LYS A 56 1.483 -1.106 7.927 1.00 62.25 C ATOM 794 C LYS A 56 1.632 -0.355 6.608 1.00 43.34 C ATOM 795 O LYS A 56 1.073 -0.755 5.587 1.00 32.54 O ATOM 796 CB LYS A 56 0.308 -0.533 8.722 1.00 5.14 C ATOM 797 CG LYS A 56 -0.433 -1.572 9.546 1.00 3.43 C ATOM 798 CD LYS A 56 -1.303 -2.459 8.672 1.00 13.15 C ATOM 799 CE LYS A 56 -2.516 -1.706 8.147 1.00 20.00 C ATOM 800 NZ LYS A 56 -3.535 -2.628 7.573 1.00 13.33 N ATOM 0 H LYS A 56 2.623 -0.503 9.579 1.00 2.44 H new ATOM 0 HA LYS A 56 1.287 -2.156 7.708 1.00 62.25 H new ATOM 0 HB2 LYS A 56 0.676 0.250 9.385 1.00 5.14 H new ATOM 0 HB3 LYS A 56 -0.392 -0.062 8.032 1.00 5.14 H new ATOM 0 HG2 LYS A 56 0.285 -2.187 10.089 1.00 3.43 H new ATOM 0 HG3 LYS A 56 -1.053 -1.073 10.291 1.00 3.43 H new ATOM 0 HD2 LYS A 56 -0.716 -2.834 7.834 1.00 13.15 H new ATOM 0 HD3 LYS A 56 -1.632 -3.326 9.245 1.00 13.15 H new ATOM 0 HE2 LYS A 56 -2.963 -1.129 8.956 1.00 20.00 H new ATOM 0 HE3 LYS A 56 -2.200 -0.994 7.385 1.00 20.00 H new ATOM 0 HZ1 LYS A 56 -4.346 -2.077 7.226 1.00 13.33 H new ATOM 0 HZ2 LYS A 56 -3.116 -3.161 6.784 1.00 13.33 H new ATOM 0 HZ3 LYS A 56 -3.856 -3.291 8.307 1.00 13.33 H new ATOM 814 N ALA A 57 2.391 0.736 6.636 1.00 63.23 N ATOM 815 CA ALA A 57 2.617 1.541 5.442 1.00 73.35 C ATOM 816 C ALA A 57 3.226 0.703 4.322 1.00 54.40 C ATOM 817 O ALA A 57 2.952 0.933 3.144 1.00 43.35 O ATOM 818 CB ALA A 57 3.515 2.726 5.765 1.00 34.44 C ATOM 0 H ALA A 57 2.860 1.082 7.473 1.00 63.23 H new ATOM 0 HA ALA A 57 1.652 1.914 5.098 1.00 73.35 H new ATOM 0 HB1 ALA A 57 3.675 3.318 4.864 1.00 34.44 H new ATOM 0 HB2 ALA A 57 3.041 3.345 6.526 1.00 34.44 H new ATOM 0 HB3 ALA A 57 4.474 2.365 6.137 1.00 34.44 H new ATOM 824 N ILE A 58 4.052 -0.267 4.698 1.00 52.04 N ATOM 825 CA ILE A 58 4.699 -1.138 3.724 1.00 33.24 C ATOM 826 C ILE A 58 3.668 -1.908 2.905 1.00 43.40 C ATOM 827 O ILE A 58 3.615 -1.782 1.682 1.00 50.01 O ATOM 828 CB ILE A 58 5.646 -2.141 4.409 1.00 44.12 C ATOM 829 CG1 ILE A 58 6.714 -1.398 5.215 1.00 63.34 C ATOM 830 CG2 ILE A 58 6.293 -3.050 3.374 1.00 14.10 C ATOM 831 CD1 ILE A 58 7.560 -2.307 6.078 1.00 22.35 C ATOM 0 H ILE A 58 4.289 -0.470 5.669 1.00 52.04 H new ATOM 0 HA ILE A 58 5.279 -0.496 3.062 1.00 33.24 H new ATOM 0 HB ILE A 58 5.064 -2.758 5.094 1.00 44.12 H new ATOM 0 HG12 ILE A 58 7.363 -0.854 4.529 1.00 63.34 H new ATOM 0 HG13 ILE A 58 6.229 -0.656 5.849 1.00 63.34 H new ATOM 0 HG21 ILE A 58 6.959 -3.753 3.873 1.00 14.10 H new ATOM 0 HG22 ILE A 58 5.519 -3.601 2.839 1.00 14.10 H new ATOM 0 HG23 ILE A 58 6.864 -2.448 2.667 1.00 14.10 H new ATOM 0 HD11 ILE A 58 8.295 -1.713 6.621 1.00 22.35 H new ATOM 0 HD12 ILE A 58 6.922 -2.832 6.789 1.00 22.35 H new ATOM 0 HD13 ILE A 58 8.074 -3.033 5.448 1.00 22.35 H new ATOM 843 N GLN A 59 2.851 -2.703 3.588 1.00 0.51 N ATOM 844 CA GLN A 59 1.821 -3.492 2.923 1.00 51.51 C ATOM 845 C GLN A 59 0.847 -2.591 2.170 1.00 62.24 C ATOM 846 O GLN A 59 0.236 -3.007 1.184 1.00 4.10 O ATOM 847 CB GLN A 59 1.062 -4.343 3.943 1.00 44.51 C ATOM 848 CG GLN A 59 1.853 -5.540 4.444 1.00 3.15 C ATOM 849 CD GLN A 59 0.964 -6.642 4.984 1.00 33.41 C ATOM 850 OE1 GLN A 59 0.474 -7.485 4.231 1.00 13.25 O ATOM 851 NE2 GLN A 59 0.750 -6.643 6.295 1.00 41.13 N ATOM 0 H GLN A 59 2.882 -2.818 4.601 1.00 0.51 H new ATOM 0 HA GLN A 59 2.310 -4.149 2.204 1.00 51.51 H new ATOM 0 HB2 GLN A 59 0.787 -3.718 4.793 1.00 44.51 H new ATOM 0 HB3 GLN A 59 0.134 -4.694 3.492 1.00 44.51 H new ATOM 0 HG2 GLN A 59 2.461 -5.935 3.630 1.00 3.15 H new ATOM 0 HG3 GLN A 59 2.539 -5.216 5.226 1.00 3.15 H new ATOM 0 HE21 GLN A 59 1.176 -5.926 6.882 1.00 41.13 H new ATOM 0 HE22 GLN A 59 0.160 -7.361 6.715 1.00 41.13 H new ATOM 860 N LEU A 60 0.706 -1.357 2.640 1.00 45.35 N ATOM 861 CA LEU A 60 -0.194 -0.397 2.010 1.00 1.44 C ATOM 862 C LEU A 60 0.287 -0.037 0.608 1.00 2.24 C ATOM 863 O LEU A 60 -0.476 -0.098 -0.355 1.00 42.15 O ATOM 864 CB LEU A 60 -0.301 0.867 2.865 1.00 14.41 C ATOM 865 CG LEU A 60 -1.645 1.096 3.559 1.00 4.21 C ATOM 866 CD1 LEU A 60 -1.620 2.392 4.355 1.00 74.02 C ATOM 867 CD2 LEU A 60 -2.775 1.115 2.540 1.00 22.23 C ATOM 0 H LEU A 60 1.203 -0.997 3.455 1.00 45.35 H new ATOM 0 HA LEU A 60 -1.178 -0.858 1.928 1.00 1.44 H new ATOM 0 HB2 LEU A 60 0.478 0.833 3.627 1.00 14.41 H new ATOM 0 HB3 LEU A 60 -0.090 1.729 2.232 1.00 14.41 H new ATOM 0 HG LEU A 60 -1.821 0.272 4.251 1.00 4.21 H new ATOM 0 HD11 LEU A 60 -2.584 2.539 4.842 1.00 74.02 H new ATOM 0 HD12 LEU A 60 -0.836 2.340 5.111 1.00 74.02 H new ATOM 0 HD13 LEU A 60 -1.422 3.228 3.684 1.00 74.02 H new ATOM 0 HD21 LEU A 60 -3.723 1.279 3.051 1.00 22.23 H new ATOM 0 HD22 LEU A 60 -2.605 1.919 1.824 1.00 22.23 H new ATOM 0 HD23 LEU A 60 -2.807 0.161 2.014 1.00 22.23 H new