USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 205 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.00164 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.707 (180deg=-0.224) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -28:sc= 0.0325 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.000693) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.598 16.353 -19.611 1.00 20.23 N ATOM 2 CA SER A 1 -6.892 15.298 -18.893 1.00 22.42 C ATOM 3 C SER A 1 -6.905 15.562 -17.390 1.00 24.24 C ATOM 4 O SER A 1 -6.720 16.694 -16.948 1.00 74.52 O ATOM 5 CB SER A 1 -5.450 15.188 -19.391 1.00 70.21 C ATOM 6 OG SER A 1 -5.268 14.022 -20.175 1.00 65.24 O ATOM 0 H1 SER A 1 -7.184 16.466 -20.558 1.00 20.23 H new ATOM 0 H2 SER A 1 -8.603 16.100 -19.700 1.00 20.23 H new ATOM 0 H3 SER A 1 -7.512 17.247 -19.087 1.00 20.23 H new ATOM 0 HA SER A 1 -7.406 14.356 -19.084 1.00 22.42 H new ATOM 0 HB2 SER A 1 -5.198 16.069 -19.981 1.00 70.21 H new ATOM 0 HB3 SER A 1 -4.769 15.168 -18.540 1.00 70.21 H new ATOM 0 HG SER A 1 -4.339 13.976 -20.482 1.00 65.24 H new ATOM 11 N GLN A 2 -7.124 14.506 -16.612 1.00 45.43 N ATOM 12 CA GLN A 2 -7.161 14.622 -15.159 1.00 14.41 C ATOM 13 C GLN A 2 -5.770 14.440 -14.563 1.00 33.32 C ATOM 14 O GLN A 2 -4.855 13.963 -15.234 1.00 3.31 O ATOM 15 CB GLN A 2 -8.122 13.591 -14.568 1.00 32.44 C ATOM 16 CG GLN A 2 -9.586 13.886 -14.855 1.00 25.24 C ATOM 17 CD GLN A 2 -10.404 14.065 -13.592 1.00 25.03 C ATOM 18 OE1 GLN A 2 -11.087 13.143 -13.145 1.00 53.12 O ATOM 19 NE2 GLN A 2 -10.339 15.256 -13.007 1.00 63.52 N ATOM 0 H GLN A 2 -7.278 13.561 -16.964 1.00 45.43 H new ATOM 0 HA GLN A 2 -7.515 15.622 -14.909 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -7.874 12.607 -14.965 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -7.974 13.546 -13.489 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -9.659 14.789 -15.461 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -10.008 13.072 -15.444 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -9.760 15.992 -13.412 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -10.868 15.434 -12.153 1.00 63.52 H new ATOM 26 N GLU A 3 -5.617 14.824 -13.299 1.00 52.11 N ATOM 27 CA GLU A 3 -4.336 14.702 -12.614 1.00 73.52 C ATOM 28 C GLU A 3 -4.527 14.186 -11.191 1.00 72.20 C ATOM 29 O GLU A 3 -5.439 14.611 -10.483 1.00 62.44 O ATOM 30 CB GLU A 3 -3.618 16.054 -12.585 1.00 14.41 C ATOM 31 CG GLU A 3 -4.263 17.066 -11.653 1.00 32.41 C ATOM 32 CD GLU A 3 -3.645 18.445 -11.773 1.00 30.12 C ATOM 33 OE1 GLU A 3 -3.662 19.007 -12.888 1.00 21.14 O ATOM 34 OE2 GLU A 3 -3.145 18.962 -10.752 1.00 51.31 O ATOM 0 H GLU A 3 -6.364 15.222 -12.730 1.00 52.11 H new ATOM 0 HA GLU A 3 -3.726 13.985 -13.163 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -2.583 15.900 -12.280 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -3.595 16.465 -13.594 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -5.329 17.129 -11.873 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -4.170 16.718 -10.624 1.00 32.41 H new ATOM 39 N GLN A 4 -3.661 13.265 -10.781 1.00 63.22 N ATOM 40 CA GLN A 4 -3.735 12.688 -9.443 1.00 12.35 C ATOM 41 C GLN A 4 -2.351 12.284 -8.947 1.00 24.53 C ATOM 42 O GLN A 4 -1.454 12.003 -9.743 1.00 34.34 O ATOM 43 CB GLN A 4 -4.666 11.476 -9.439 1.00 41.33 C ATOM 44 CG GLN A 4 -4.370 10.476 -10.546 1.00 54.21 C ATOM 45 CD GLN A 4 -5.465 10.425 -11.593 1.00 41.23 C ATOM 46 OE1 GLN A 4 -6.629 10.176 -11.279 1.00 73.35 O ATOM 47 NE2 GLN A 4 -5.096 10.661 -12.847 1.00 23.12 N ATOM 0 H GLN A 4 -2.900 12.902 -11.355 1.00 63.22 H new ATOM 0 HA GLN A 4 -4.135 13.446 -8.769 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -4.588 10.972 -8.476 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -5.696 11.819 -9.537 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -3.426 10.738 -11.025 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -4.242 9.485 -10.111 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -4.120 10.863 -13.062 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -5.789 10.640 -13.595 1.00 23.12 H new ATOM 54 N ARG A 5 -2.184 12.256 -7.629 1.00 24.24 N ATOM 55 CA ARG A 5 -0.908 11.888 -7.028 1.00 44.30 C ATOM 56 C ARG A 5 -1.007 10.532 -6.332 1.00 24.55 C ATOM 57 O ARG A 5 -1.736 10.378 -5.354 1.00 51.44 O ATOM 58 CB ARG A 5 -0.465 12.955 -6.026 1.00 4.14 C ATOM 59 CG ARG A 5 0.809 12.597 -5.278 1.00 0.41 C ATOM 60 CD ARG A 5 1.339 13.780 -4.483 1.00 24.14 C ATOM 61 NE ARG A 5 2.441 13.398 -3.604 1.00 54.10 N ATOM 62 CZ ARG A 5 2.868 14.148 -2.593 1.00 32.21 C ATOM 63 NH1 ARG A 5 2.289 15.312 -2.335 1.00 2.14 N ATOM 64 NH2 ARG A 5 3.876 13.732 -1.837 1.00 62.22 N ATOM 0 H ARG A 5 -2.917 12.484 -6.957 1.00 24.24 H new ATOM 0 HA ARG A 5 -0.167 11.817 -7.824 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -0.314 13.897 -6.554 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -1.266 13.119 -5.305 1.00 4.14 H new ATOM 0 HG2 ARG A 5 0.614 11.762 -4.604 1.00 0.41 H new ATOM 0 HG3 ARG A 5 1.567 12.264 -5.987 1.00 0.41 H new ATOM 0 HD2 ARG A 5 1.675 14.557 -5.170 1.00 24.14 H new ATOM 0 HD3 ARG A 5 0.532 14.208 -3.888 1.00 24.14 H new ATOM 0 HE ARG A 5 2.908 12.508 -3.775 1.00 54.10 H new ATOM 0 HH11 ARG A 5 1.513 15.635 -2.913 1.00 2.14 H new ATOM 0 HH12 ARG A 5 2.619 15.885 -1.558 1.00 2.14 H new ATOM 0 HH21 ARG A 5 4.324 12.836 -2.032 1.00 62.22 H new ATOM 0 HH22 ARG A 5 4.203 14.308 -1.061 1.00 62.22 H new ATOM 75 N GLN A 6 -0.268 9.554 -6.846 1.00 43.01 N ATOM 76 CA GLN A 6 -0.273 8.213 -6.275 1.00 41.20 C ATOM 77 C GLN A 6 0.183 8.238 -4.820 1.00 73.21 C ATOM 78 O GLN A 6 0.739 9.232 -4.350 1.00 30.24 O ATOM 79 CB GLN A 6 0.632 7.286 -7.089 1.00 64.51 C ATOM 80 CG GLN A 6 -0.126 6.393 -8.058 1.00 0.03 C ATOM 81 CD GLN A 6 -0.938 7.182 -9.067 1.00 2.42 C ATOM 82 OE1 GLN A 6 -0.384 7.839 -9.949 1.00 32.32 O ATOM 83 NE2 GLN A 6 -2.259 7.122 -8.942 1.00 71.04 N ATOM 0 H GLN A 6 0.341 9.665 -7.656 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.295 7.835 -6.310 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.348 7.889 -7.648 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.207 6.661 -6.406 1.00 64.51 H new ATOM 0 HG2 GLN A 6 0.582 5.754 -8.587 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -0.791 5.736 -7.497 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -2.676 6.565 -8.196 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -2.856 7.633 -9.592 1.00 71.04 H new ATOM 90 N CYS A 7 -0.056 7.141 -4.111 1.00 60.03 N ATOM 91 CA CYS A 7 0.329 7.037 -2.709 1.00 74.31 C ATOM 92 C CYS A 7 1.724 6.434 -2.570 1.00 41.34 C ATOM 93 O CYS A 7 2.599 7.006 -1.921 1.00 64.53 O ATOM 94 CB CYS A 7 -0.685 6.186 -1.942 1.00 2.41 C ATOM 95 SG CYS A 7 -2.418 6.482 -2.419 1.00 33.30 S ATOM 0 H CYS A 7 -0.515 6.310 -4.485 1.00 60.03 H new ATOM 0 HA CYS A 7 0.344 8.042 -2.287 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.451 5.133 -2.098 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.575 6.382 -0.875 1.00 2.41 H new ATOM 99 N LYS A 8 1.924 5.274 -3.186 1.00 50.45 N ATOM 100 CA LYS A 8 3.212 4.592 -3.134 1.00 14.15 C ATOM 101 C LYS A 8 3.337 3.578 -4.267 1.00 2.44 C ATOM 102 O LYS A 8 2.749 2.498 -4.215 1.00 25.42 O ATOM 103 CB LYS A 8 3.388 3.891 -1.786 1.00 45.25 C ATOM 104 CG LYS A 8 3.977 4.784 -0.708 1.00 75.25 C ATOM 105 CD LYS A 8 2.923 5.210 0.301 1.00 73.21 C ATOM 106 CE LYS A 8 3.182 4.598 1.669 1.00 61.44 C ATOM 107 NZ LYS A 8 4.172 5.389 2.452 1.00 64.31 N ATOM 0 H LYS A 8 1.210 4.786 -3.727 1.00 50.45 H new ATOM 0 HA LYS A 8 3.996 5.340 -3.252 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.420 3.520 -1.450 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.033 3.023 -1.919 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.780 4.255 -0.195 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.420 5.667 -1.168 1.00 75.25 H new ATOM 0 HD2 LYS A 8 2.915 6.297 0.383 1.00 73.21 H new ATOM 0 HD3 LYS A 8 1.937 4.909 -0.053 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.245 4.538 2.223 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.547 3.578 1.547 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.080 4.883 2.476 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.306 6.318 2.005 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.823 5.519 3.423 1.00 64.31 H new ATOM 117 N LYS A 9 4.107 3.932 -5.291 1.00 61.20 N ATOM 118 CA LYS A 9 4.312 3.053 -6.435 1.00 45.51 C ATOM 119 C LYS A 9 5.380 2.007 -6.134 1.00 53.34 C ATOM 120 O LYS A 9 5.829 1.877 -4.995 1.00 41.01 O ATOM 121 CB LYS A 9 4.712 3.868 -7.666 1.00 23.31 C ATOM 122 CG LYS A 9 3.741 4.987 -7.998 1.00 74.25 C ATOM 123 CD LYS A 9 4.463 6.305 -8.221 1.00 43.40 C ATOM 124 CE LYS A 9 4.264 7.256 -7.050 1.00 12.14 C ATOM 125 NZ LYS A 9 4.136 8.670 -7.499 1.00 0.04 N ATOM 0 H LYS A 9 4.600 4.823 -5.351 1.00 61.20 H new ATOM 0 HA LYS A 9 3.373 2.538 -6.638 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.702 4.294 -7.503 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.790 3.200 -8.524 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.175 4.725 -8.892 1.00 74.25 H new ATOM 0 HG3 LYS A 9 3.022 5.098 -7.187 1.00 74.25 H new ATOM 0 HD2 LYS A 9 5.528 6.118 -8.362 1.00 43.40 H new ATOM 0 HD3 LYS A 9 4.097 6.771 -9.136 1.00 43.40 H new ATOM 0 HE2 LYS A 9 3.370 6.968 -6.497 1.00 12.14 H new ATOM 0 HE3 LYS A 9 5.106 7.168 -6.363 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 4.002 9.286 -6.672 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 4.999 8.953 -8.005 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 3.317 8.760 -8.134 1.00 0.04 H new ATOM 135 N ILE A 10 5.784 1.268 -7.161 1.00 40.30 N ATOM 136 CA ILE A 10 6.803 0.237 -7.006 1.00 72.53 C ATOM 137 C ILE A 10 8.137 0.842 -6.584 1.00 23.42 C ATOM 138 O ILE A 10 8.695 1.690 -7.279 1.00 32.55 O ATOM 139 CB ILE A 10 7.002 -0.558 -8.309 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.668 -1.131 -8.792 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.018 -1.672 -8.100 1.00 24.13 C ATOM 142 CD1 ILE A 10 4.976 -1.999 -7.765 1.00 50.10 C ATOM 0 H ILE A 10 5.421 1.364 -8.110 1.00 40.30 H new ATOM 0 HA ILE A 10 6.451 -0.440 -6.227 1.00 72.53 H new ATOM 0 HB ILE A 10 7.384 0.118 -9.074 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.007 -0.309 -9.066 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.839 -1.717 -9.695 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.148 -2.225 -9.030 1.00 24.13 H new ATOM 0 HG22 ILE A 10 8.973 -1.242 -7.797 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.662 -2.348 -7.323 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.037 -2.371 -8.176 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.618 -2.841 -7.508 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.773 -1.412 -6.870 1.00 50.10 H new ATOM 153 N GLY A 11 8.646 0.398 -5.438 1.00 3.24 N ATOM 154 CA GLY A 11 9.913 0.905 -4.943 1.00 50.44 C ATOM 155 C GLY A 11 9.739 1.872 -3.788 1.00 32.53 C ATOM 156 O GLY A 11 10.714 2.431 -3.287 1.00 22.21 O ATOM 0 H GLY A 11 8.204 -0.303 -4.844 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.535 0.069 -4.623 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.443 1.404 -5.754 1.00 50.44 H new ATOM 160 N GLU A 12 8.495 2.069 -3.366 1.00 11.04 N ATOM 161 CA GLU A 12 8.197 2.976 -2.264 1.00 72.23 C ATOM 162 C GLU A 12 8.221 2.238 -0.929 1.00 10.32 C ATOM 163 O GLU A 12 8.400 1.021 -0.883 1.00 45.23 O ATOM 164 CB GLU A 12 6.831 3.635 -2.471 1.00 14.51 C ATOM 165 CG GLU A 12 6.781 4.569 -3.669 1.00 22.04 C ATOM 166 CD GLU A 12 8.059 5.366 -3.842 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.654 5.300 -4.939 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.465 6.053 -2.882 1.00 54.22 O ATOM 0 H GLU A 12 7.677 1.613 -3.770 1.00 11.04 H new ATOM 0 HA GLU A 12 8.966 3.748 -2.246 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.077 2.858 -2.595 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.567 4.194 -1.574 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.596 3.986 -4.571 1.00 22.04 H new ATOM 0 HG3 GLU A 12 5.942 5.255 -3.555 1.00 22.04 H new ATOM 173 N HIS A 13 8.040 2.984 0.157 1.00 34.15 N ATOM 174 CA HIS A 13 8.040 2.401 1.493 1.00 13.40 C ATOM 175 C HIS A 13 6.621 2.308 2.046 1.00 24.02 C ATOM 176 O HIS A 13 5.800 3.201 1.833 1.00 41.11 O ATOM 177 CB HIS A 13 8.913 3.231 2.435 1.00 24.43 C ATOM 178 CG HIS A 13 9.185 2.561 3.746 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.382 2.724 4.855 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.178 1.722 4.123 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.870 2.014 5.857 1.00 21.35 C ATOM 182 NE2 HIS A 13 9.959 1.396 5.438 1.00 4.21 N ATOM 0 H HIS A 13 7.892 3.993 0.137 1.00 34.15 H new ATOM 0 HA HIS A 13 8.450 1.394 1.422 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.861 3.446 1.943 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.425 4.188 2.620 1.00 24.43 H new ATOM 0 HD2 HIS A 13 10.992 1.374 3.504 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.450 1.950 6.850 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.543 0.777 6.000 1.00 4.21 H new ATOM 189 N CYS A 14 6.338 1.222 2.757 1.00 31.41 N ATOM 190 CA CYS A 14 5.018 1.011 3.340 1.00 10.24 C ATOM 191 C CYS A 14 5.047 -0.130 4.352 1.00 50.24 C ATOM 192 O CYS A 14 5.785 -1.101 4.188 1.00 1.54 O ATOM 193 CB CYS A 14 3.996 0.709 2.243 1.00 4.14 C ATOM 194 SG CYS A 14 4.547 -0.539 1.035 1.00 62.05 S ATOM 0 H CYS A 14 7.006 0.474 2.944 1.00 31.41 H new ATOM 0 HA CYS A 14 4.726 1.925 3.858 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.071 0.366 2.707 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.763 1.633 1.714 1.00 4.14 H new ATOM 198 N TYR A 15 4.238 -0.006 5.398 1.00 63.22 N ATOM 199 CA TYR A 15 4.171 -1.026 6.438 1.00 52.43 C ATOM 200 C TYR A 15 3.142 -2.096 6.087 1.00 65.00 C ATOM 201 O TYR A 15 3.309 -3.269 6.424 1.00 64.51 O ATOM 202 CB TYR A 15 3.821 -0.389 7.784 1.00 54.43 C ATOM 203 CG TYR A 15 4.827 0.640 8.247 1.00 71.20 C ATOM 204 CD1 TYR A 15 5.970 0.261 8.940 1.00 24.45 C ATOM 205 CD2 TYR A 15 4.634 1.992 7.992 1.00 52.01 C ATOM 206 CE1 TYR A 15 6.892 1.198 9.365 1.00 55.55 C ATOM 207 CE2 TYR A 15 5.551 2.937 8.413 1.00 75.04 C ATOM 208 CZ TYR A 15 6.678 2.535 9.099 1.00 34.32 C ATOM 209 OH TYR A 15 7.593 3.472 9.520 1.00 52.33 O ATOM 0 H TYR A 15 3.619 0.791 5.548 1.00 63.22 H new ATOM 0 HA TYR A 15 5.150 -1.499 6.510 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.841 0.082 7.710 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.742 -1.173 8.538 1.00 54.43 H new ATOM 0 HD1 TYR A 15 6.141 -0.785 9.150 1.00 24.45 H new ATOM 0 HD2 TYR A 15 3.752 2.310 7.456 1.00 52.01 H new ATOM 0 HE1 TYR A 15 7.775 0.886 9.902 1.00 55.55 H new ATOM 0 HE2 TYR A 15 5.386 3.984 8.206 1.00 75.04 H new ATOM 0 HH TYR A 15 7.293 4.366 9.252 1.00 52.33 H new ATOM 218 N VAL A 16 2.078 -1.684 5.406 1.00 5.31 N ATOM 219 CA VAL A 16 1.022 -2.607 5.006 1.00 50.32 C ATOM 220 C VAL A 16 0.615 -2.380 3.555 1.00 14.41 C ATOM 221 O VAL A 16 1.105 -1.462 2.899 1.00 52.01 O ATOM 222 CB VAL A 16 -0.221 -2.461 5.904 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.047 -3.044 7.285 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.637 -1.001 6.004 1.00 52.25 C ATOM 0 H VAL A 16 1.924 -0.717 5.120 1.00 5.31 H new ATOM 0 HA VAL A 16 1.424 -3.614 5.115 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.042 -3.019 5.453 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.842 -2.932 7.906 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.294 -4.102 7.192 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.881 -2.516 7.747 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.517 -0.916 6.642 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.179 -0.419 6.432 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.872 -0.621 5.010 1.00 52.25 H new ATOM 234 N ALA A 17 -0.283 -3.225 3.059 1.00 54.22 N ATOM 235 CA ALA A 17 -0.758 -3.115 1.686 1.00 71.23 C ATOM 236 C ALA A 17 -1.609 -1.864 1.497 1.00 11.43 C ATOM 237 O ALA A 17 -1.476 -1.156 0.498 1.00 13.55 O ATOM 238 CB ALA A 17 -1.550 -4.357 1.300 1.00 54.11 C ATOM 0 H ALA A 17 -0.696 -3.993 3.588 1.00 54.22 H new ATOM 0 HA ALA A 17 0.111 -3.033 1.033 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.899 -4.261 0.272 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.912 -5.237 1.386 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.407 -4.463 1.965 1.00 54.11 H new ATOM 244 N ASP A 18 -2.483 -1.597 2.461 1.00 11.15 N ATOM 245 CA ASP A 18 -3.356 -0.431 2.400 1.00 13.30 C ATOM 246 C ASP A 18 -2.543 0.847 2.214 1.00 11.20 C ATOM 247 O ASP A 18 -2.989 1.787 1.555 1.00 54.21 O ATOM 248 CB ASP A 18 -4.200 -0.332 3.672 1.00 72.23 C ATOM 249 CG ASP A 18 -5.605 0.165 3.398 1.00 15.13 C ATOM 250 OD1 ASP A 18 -6.041 1.119 4.077 1.00 43.33 O ATOM 251 OD2 ASP A 18 -6.269 -0.398 2.503 1.00 72.10 O ATOM 0 H ASP A 18 -2.606 -2.172 3.294 1.00 11.15 H new ATOM 0 HA ASP A 18 -4.018 -0.548 1.542 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.251 -1.311 4.148 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.711 0.340 4.377 1.00 72.23 H new ATOM 255 N GLU A 19 -1.350 0.874 2.799 1.00 44.21 N ATOM 256 CA GLU A 19 -0.476 2.037 2.699 1.00 70.24 C ATOM 257 C GLU A 19 -0.091 2.304 1.247 1.00 54.23 C ATOM 258 O GLU A 19 0.112 3.451 0.847 1.00 72.44 O ATOM 259 CB GLU A 19 0.784 1.831 3.542 1.00 3.45 C ATOM 260 CG GLU A 19 0.678 2.406 4.944 1.00 23.14 C ATOM 261 CD GLU A 19 1.523 3.652 5.129 1.00 31.23 C ATOM 262 OE1 GLU A 19 2.739 3.590 4.852 1.00 34.31 O ATOM 263 OE2 GLU A 19 0.968 4.688 5.550 1.00 21.53 O ATOM 0 H GLU A 19 -0.966 0.104 3.347 1.00 44.21 H new ATOM 0 HA GLU A 19 -1.020 2.902 3.078 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.995 0.764 3.611 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.631 2.291 3.033 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.364 2.643 5.157 1.00 23.14 H new ATOM 0 HG3 GLU A 19 0.987 1.651 5.667 1.00 23.14 H new ATOM 268 N CYS A 20 0.008 1.237 0.461 1.00 12.33 N ATOM 269 CA CYS A 20 0.370 1.354 -0.947 1.00 35.21 C ATOM 270 C CYS A 20 -0.876 1.502 -1.817 1.00 41.05 C ATOM 271 O CYS A 20 -1.803 0.697 -1.736 1.00 32.13 O ATOM 272 CB CYS A 20 1.174 0.132 -1.391 1.00 53.00 C ATOM 273 SG CYS A 20 2.876 0.512 -1.918 1.00 4.22 S ATOM 0 H CYS A 20 -0.157 0.281 0.775 1.00 12.33 H new ATOM 0 HA CYS A 20 0.984 2.247 -1.067 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.211 -0.583 -0.569 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.650 -0.354 -2.214 1.00 53.00 H new ATOM 277 N CYS A 21 -0.887 2.537 -2.651 1.00 12.50 N ATOM 278 CA CYS A 21 -2.016 2.793 -3.537 1.00 4.44 C ATOM 279 C CYS A 21 -2.246 1.614 -4.479 1.00 32.03 C ATOM 280 O CYS A 21 -3.372 1.357 -4.905 1.00 13.43 O ATOM 281 CB CYS A 21 -1.777 4.068 -4.348 1.00 22.10 C ATOM 282 SG CYS A 21 -2.963 5.405 -3.996 1.00 13.22 S ATOM 0 H CYS A 21 -0.126 3.212 -2.731 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.906 2.924 -2.921 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.768 4.429 -4.148 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.824 3.825 -5.410 1.00 22.10 H new ATOM 286 N SER A 22 -1.171 0.901 -4.799 1.00 34.32 N ATOM 287 CA SER A 22 -1.253 -0.248 -5.693 1.00 4.02 C ATOM 288 C SER A 22 -1.668 -1.502 -4.929 1.00 60.11 C ATOM 289 O SER A 22 -2.085 -2.496 -5.523 1.00 73.30 O ATOM 290 CB SER A 22 0.091 -0.480 -6.386 1.00 64.11 C ATOM 291 OG SER A 22 -0.045 -1.373 -7.478 1.00 30.25 O ATOM 0 H SER A 22 -0.232 1.099 -4.452 1.00 34.32 H new ATOM 0 HA SER A 22 -2.010 -0.036 -6.448 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.491 0.471 -6.738 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.808 -0.882 -5.670 1.00 64.11 H new ATOM 0 HG SER A 22 -0.800 -1.976 -7.315 1.00 30.25 H new ATOM 296 N LYS A 23 -1.549 -1.447 -3.607 1.00 41.13 N ATOM 297 CA LYS A 23 -1.912 -2.577 -2.758 1.00 41.04 C ATOM 298 C LYS A 23 -1.004 -3.773 -3.027 1.00 44.22 C ATOM 299 O LYS A 23 -1.475 -4.901 -3.169 1.00 31.24 O ATOM 300 CB LYS A 23 -3.373 -2.968 -2.992 1.00 71.41 C ATOM 301 CG LYS A 23 -4.339 -1.800 -2.899 1.00 25.51 C ATOM 302 CD LYS A 23 -5.251 -1.925 -1.691 1.00 62.54 C ATOM 303 CE LYS A 23 -6.356 -0.880 -1.715 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.594 -1.367 -1.047 1.00 71.15 N ATOM 0 H LYS A 23 -1.204 -0.632 -3.100 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.786 -2.274 -1.718 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.464 -3.426 -3.977 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.659 -3.724 -2.261 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.778 -0.867 -2.838 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.941 -1.751 -3.807 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.692 -2.922 -1.669 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.665 -1.815 -0.779 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -6.009 0.027 -1.220 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.581 -0.613 -2.748 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -8.323 -0.626 -1.084 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.940 -2.218 -1.535 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -7.385 -1.598 -0.055 1.00 71.15 H new ATOM 314 N ARG A 24 0.299 -3.518 -3.095 1.00 21.34 N ATOM 315 CA ARG A 24 1.271 -4.573 -3.346 1.00 21.41 C ATOM 316 C ARG A 24 2.399 -4.530 -2.318 1.00 0.40 C ATOM 317 O ARG A 24 3.546 -4.859 -2.625 1.00 5.40 O ATOM 318 CB ARG A 24 1.847 -4.441 -4.757 1.00 31.31 C ATOM 319 CG ARG A 24 1.233 -5.404 -5.759 1.00 1.11 C ATOM 320 CD ARG A 24 1.487 -6.852 -5.368 1.00 22.03 C ATOM 321 NE ARG A 24 1.586 -7.725 -6.534 1.00 72.42 N ATOM 322 CZ ARG A 24 0.541 -8.103 -7.261 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.676 -7.685 -6.944 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.713 -8.899 -8.309 1.00 2.41 N ATOM 0 H ARG A 24 0.705 -2.589 -2.980 1.00 21.34 H new ATOM 0 HA ARG A 24 0.759 -5.531 -3.258 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.696 -3.420 -5.108 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.923 -4.608 -4.718 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.160 -5.227 -5.825 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.649 -5.215 -6.749 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.408 -6.915 -4.789 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.681 -7.200 -4.722 1.00 22.03 H new ATOM 0 HE ARG A 24 2.509 -8.063 -6.805 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.811 -7.072 -6.140 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.477 -7.977 -7.504 1.00 0.15 H new ATOM 0 HH21 ARG A 24 1.649 -9.221 -8.557 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.090 -9.189 -8.867 1.00 2.41 H new ATOM 335 N CYS A 25 2.066 -4.121 -1.099 1.00 43.43 N ATOM 336 CA CYS A 25 3.049 -4.032 -0.026 1.00 42.23 C ATOM 337 C CYS A 25 3.165 -5.361 0.716 1.00 34.23 C ATOM 338 O CYS A 25 2.206 -6.130 0.789 1.00 13.14 O ATOM 339 CB CYS A 25 2.668 -2.921 0.952 1.00 20.11 C ATOM 340 SG CYS A 25 4.075 -2.238 1.886 1.00 35.53 S ATOM 0 H CYS A 25 1.122 -3.846 -0.829 1.00 43.43 H new ATOM 0 HA CYS A 25 4.016 -3.798 -0.471 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.187 -2.114 0.399 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.932 -3.308 1.656 1.00 20.11 H new ATOM 344 N LEU A 26 4.346 -5.624 1.264 1.00 72.20 N ATOM 345 CA LEU A 26 4.588 -6.860 2.002 1.00 55.12 C ATOM 346 C LEU A 26 5.282 -6.574 3.331 1.00 43.12 C ATOM 347 O LEU A 26 6.018 -5.596 3.460 1.00 44.04 O ATOM 348 CB LEU A 26 5.439 -7.817 1.166 1.00 32.20 C ATOM 349 CG LEU A 26 5.522 -9.258 1.671 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.276 -10.035 1.276 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.771 -9.941 1.135 1.00 33.40 C ATOM 0 H LEU A 26 5.151 -4.999 1.212 1.00 72.20 H new ATOM 0 HA LEU A 26 3.624 -7.325 2.209 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.042 -7.831 0.151 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.450 -7.415 1.107 1.00 32.20 H new ATOM 0 HG LEU A 26 5.583 -9.238 2.759 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.353 -11.058 1.644 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.397 -9.559 1.710 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.183 -10.046 0.190 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.813 -10.965 1.505 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.742 -9.950 0.045 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.655 -9.398 1.470 1.00 33.40 H new ATOM 362 N PHE A 27 5.040 -7.433 4.314 1.00 74.42 N ATOM 363 CA PHE A 27 5.642 -7.274 5.633 1.00 12.34 C ATOM 364 C PHE A 27 7.153 -7.480 5.570 1.00 21.32 C ATOM 365 O PHE A 27 7.903 -6.894 6.351 1.00 65.24 O ATOM 366 CB PHE A 27 5.022 -8.262 6.623 1.00 52.45 C ATOM 367 CG PHE A 27 3.698 -7.812 7.169 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.639 -7.539 6.318 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.511 -7.662 8.534 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.418 -7.125 6.817 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.292 -7.248 9.039 1.00 22.04 C ATOM 372 CZ PHE A 27 1.245 -6.978 8.180 1.00 55.32 C ATOM 0 H PHE A 27 4.431 -8.247 4.223 1.00 74.42 H new ATOM 0 HA PHE A 27 5.445 -6.258 5.974 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.894 -9.226 6.130 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.714 -8.417 7.451 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.769 -7.651 5.252 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.326 -7.871 9.211 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.601 -6.917 6.143 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.159 -7.136 10.105 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.293 -6.653 8.573 1.00 55.32 H new ATOM 381 N TYR A 28 7.591 -8.317 4.636 1.00 24.15 N ATOM 382 CA TYR A 28 9.012 -8.604 4.473 1.00 42.22 C ATOM 383 C TYR A 28 9.672 -7.576 3.560 1.00 64.32 C ATOM 384 O TYR A 28 10.704 -6.998 3.902 1.00 52.42 O ATOM 385 CB TYR A 28 9.207 -10.009 3.902 1.00 43.05 C ATOM 386 CG TYR A 28 8.733 -11.109 4.826 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.453 -11.634 4.713 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.568 -11.622 5.812 1.00 65.43 C ATOM 389 CE1 TYR A 28 7.015 -12.639 5.556 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.140 -12.626 6.657 1.00 14.24 C ATOM 391 CZ TYR A 28 7.864 -13.132 6.526 1.00 71.23 C ATOM 392 OH TYR A 28 7.433 -14.132 7.366 1.00 4.41 O ATOM 0 H TYR A 28 6.983 -8.808 3.981 1.00 24.15 H new ATOM 0 HA TYR A 28 9.484 -8.549 5.454 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.672 -10.085 2.956 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.264 -10.160 3.683 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.788 -11.251 3.953 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.568 -11.228 5.919 1.00 65.43 H new ATOM 0 HE1 TYR A 28 6.015 -13.035 5.456 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.802 -13.014 7.417 1.00 14.24 H new ATOM 0 HH TYR A 28 8.151 -14.367 7.990 1.00 4.41 H new ATOM 401 N ALA A 29 9.070 -7.352 2.396 1.00 61.12 N ATOM 402 CA ALA A 29 9.598 -6.393 1.435 1.00 21.34 C ATOM 403 C ALA A 29 9.474 -4.965 1.959 1.00 24.31 C ATOM 404 O ALA A 29 10.383 -4.152 1.792 1.00 43.14 O ATOM 405 CB ALA A 29 8.878 -6.531 0.102 1.00 2.14 C ATOM 0 H ALA A 29 8.216 -7.822 2.096 1.00 61.12 H new ATOM 0 HA ALA A 29 10.656 -6.608 1.289 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.283 -5.808 -0.607 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.021 -7.539 -0.286 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.813 -6.344 0.242 1.00 2.14 H new ATOM 411 N ALA A 30 8.345 -4.669 2.592 1.00 71.15 N ATOM 412 CA ALA A 30 8.104 -3.340 3.142 1.00 3.03 C ATOM 413 C ALA A 30 8.086 -2.286 2.041 1.00 12.05 C ATOM 414 O ALA A 30 8.087 -1.086 2.315 1.00 32.52 O ATOM 415 CB ALA A 30 9.158 -3.001 4.184 1.00 72.24 C ATOM 0 H ALA A 30 7.582 -5.331 2.737 1.00 71.15 H new ATOM 0 HA ALA A 30 7.125 -3.344 3.621 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.966 -2.006 4.586 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.120 -3.732 4.991 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.145 -3.021 3.723 1.00 72.24 H new ATOM 421 N LYS A 31 8.071 -2.741 0.792 1.00 34.24 N ATOM 422 CA LYS A 31 8.054 -1.837 -0.352 1.00 22.22 C ATOM 423 C LYS A 31 7.153 -2.377 -1.458 1.00 22.40 C ATOM 424 O LYS A 31 7.142 -3.578 -1.732 1.00 1.32 O ATOM 425 CB LYS A 31 9.473 -1.632 -0.889 1.00 4.22 C ATOM 426 CG LYS A 31 9.514 -1.132 -2.322 1.00 12.42 C ATOM 427 CD LYS A 31 9.635 -2.282 -3.309 1.00 61.02 C ATOM 428 CE LYS A 31 11.069 -2.778 -3.413 1.00 62.44 C ATOM 429 NZ LYS A 31 11.408 -3.210 -4.798 1.00 3.33 N ATOM 0 H LYS A 31 8.070 -3.731 0.547 1.00 34.24 H new ATOM 0 HA LYS A 31 7.657 -0.878 -0.019 1.00 22.22 H new ATOM 0 HB2 LYS A 31 9.995 -0.920 -0.250 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.016 -2.575 -0.826 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.610 -0.561 -2.536 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.357 -0.453 -2.448 1.00 12.42 H new ATOM 0 HD2 LYS A 31 8.987 -3.101 -2.996 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.289 -1.959 -4.291 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.751 -1.986 -3.103 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.216 -3.612 -2.726 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.343 -3.665 -4.801 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.693 -3.885 -5.136 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.425 -2.381 -5.426 1.00 3.33 H new ATOM 439 N CYS A 32 6.402 -1.484 -2.092 1.00 14.43 N ATOM 440 CA CYS A 32 5.499 -1.870 -3.170 1.00 55.04 C ATOM 441 C CYS A 32 6.234 -2.689 -4.228 1.00 42.15 C ATOM 442 O CYS A 32 7.115 -2.180 -4.922 1.00 65.14 O ATOM 443 CB CYS A 32 4.876 -0.629 -3.812 1.00 44.43 C ATOM 444 SG CYS A 32 3.070 -0.516 -3.612 1.00 21.24 S ATOM 0 H CYS A 32 6.400 -0.487 -1.878 1.00 14.43 H new ATOM 0 HA CYS A 32 4.707 -2.486 -2.744 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.335 0.260 -3.379 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.114 -0.625 -4.876 1.00 44.43 H new ATOM 448 N VAL A 33 5.865 -3.961 -4.346 1.00 0.54 N ATOM 449 CA VAL A 33 6.487 -4.849 -5.319 1.00 35.11 C ATOM 450 C VAL A 33 5.471 -5.335 -6.348 1.00 1.55 C ATOM 451 O VAL A 33 4.371 -5.759 -5.996 1.00 55.23 O ATOM 452 CB VAL A 33 7.130 -6.070 -4.635 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.493 -5.706 -4.065 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.217 -6.613 -3.546 1.00 3.21 C ATOM 0 H VAL A 33 5.138 -4.399 -3.779 1.00 0.54 H new ATOM 0 HA VAL A 33 7.263 -4.272 -5.822 1.00 35.11 H new ATOM 0 HB VAL A 33 7.271 -6.851 -5.382 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.932 -6.581 -3.586 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.145 -5.367 -4.870 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.379 -4.909 -3.331 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.687 -7.475 -3.073 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.043 -5.839 -2.798 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.266 -6.914 -3.985 1.00 3.21 H new ATOM 464 N SER A 34 5.849 -5.269 -7.621 1.00 34.41 N ATOM 465 CA SER A 34 4.970 -5.699 -8.702 1.00 1.31 C ATOM 466 C SER A 34 4.481 -7.125 -8.469 1.00 14.03 C ATOM 467 O SER A 34 5.268 -8.023 -8.177 1.00 14.13 O ATOM 468 CB SER A 34 5.697 -5.611 -10.045 1.00 75.31 C ATOM 469 OG SER A 34 4.812 -5.864 -11.122 1.00 52.24 O ATOM 0 H SER A 34 6.758 -4.922 -7.929 1.00 34.41 H new ATOM 0 HA SER A 34 4.106 -5.035 -8.720 1.00 1.31 H new ATOM 0 HB2 SER A 34 6.139 -4.621 -10.158 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.516 -6.330 -10.067 1.00 75.31 H new ATOM 0 HG SER A 34 5.301 -5.800 -11.969 1.00 52.24 H new TER 474 SER A 34