USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 495 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 13 MET CE :methyl -165:sc= -0.0117 (180deg=-0.185) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.99 K(o=-2,f=-6.2!) USER MOD Single : A 16 TYR OH : rot -152:sc= 0.252 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -2.5 K(o=-2.5,f=-6.7!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0025 X(o=-0.0025,f=-0.26) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00721 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.619 K(o=-0.62,f=-3.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 59 ASN : amide:sc= -0.486 X(o=-0.49,f=0.012) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.039 -0.711 13.755 1.00 0.00 N ATOM 2 CA GLY A 1 -17.596 -1.675 14.686 1.00 0.00 C ATOM 3 C GLY A 1 -17.792 -3.040 14.058 1.00 0.00 C ATOM 4 O GLY A 1 -18.904 -3.400 13.673 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.924 0.206 14.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.113 -1.046 13.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.680 -0.601 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.935 -1.767 15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.553 -1.308 15.056 1.00 0.00 H new ATOM 8 N SER A 2 -16.709 -3.803 13.954 1.00 0.00 N ATOM 9 CA SER A 2 -16.766 -5.135 13.364 1.00 0.00 C ATOM 10 C SER A 2 -15.671 -6.031 13.936 1.00 0.00 C ATOM 11 O SER A 2 -14.712 -5.549 14.539 1.00 0.00 O ATOM 12 CB SER A 2 -16.626 -5.049 11.843 1.00 0.00 C ATOM 13 OG SER A 2 -15.376 -4.490 11.477 1.00 0.00 O ATOM 0 H SER A 2 -15.781 -3.521 14.271 1.00 0.00 H new ATOM 0 HA SER A 2 -17.734 -5.572 13.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.724 -6.044 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.433 -4.442 11.434 1.00 0.00 H new ATOM 0 HG SER A 2 -15.310 -4.447 10.500 1.00 0.00 H new ATOM 19 N SER A 3 -15.822 -7.337 13.743 1.00 0.00 N ATOM 20 CA SER A 3 -14.849 -8.301 14.243 1.00 0.00 C ATOM 21 C SER A 3 -13.887 -8.726 13.137 1.00 0.00 C ATOM 22 O SER A 3 -14.290 -8.929 11.993 1.00 0.00 O ATOM 23 CB SER A 3 -15.563 -9.529 14.812 1.00 0.00 C ATOM 24 OG SER A 3 -14.707 -10.264 15.670 1.00 0.00 O ATOM 0 H SER A 3 -16.609 -7.752 13.244 1.00 0.00 H new ATOM 0 HA SER A 3 -14.275 -7.822 15.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.451 -9.216 15.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.901 -10.168 13.996 1.00 0.00 H new ATOM 0 HG SER A 3 -15.187 -11.043 16.022 1.00 0.00 H new ATOM 30 N GLY A 4 -12.612 -8.857 13.489 1.00 0.00 N ATOM 31 CA GLY A 4 -11.611 -9.256 12.516 1.00 0.00 C ATOM 32 C GLY A 4 -11.225 -8.124 11.585 1.00 0.00 C ATOM 33 O GLY A 4 -12.007 -7.201 11.360 1.00 0.00 O ATOM 0 H GLY A 4 -12.254 -8.694 14.430 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.723 -9.612 13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.992 -10.092 11.929 1.00 0.00 H new ATOM 37 N SER A 5 -10.013 -8.194 11.042 1.00 0.00 N ATOM 38 CA SER A 5 -9.522 -7.164 10.134 1.00 0.00 C ATOM 39 C SER A 5 -10.365 -7.113 8.864 1.00 0.00 C ATOM 40 O SER A 5 -10.645 -8.142 8.249 1.00 0.00 O ATOM 41 CB SER A 5 -8.057 -7.426 9.778 1.00 0.00 C ATOM 42 OG SER A 5 -7.196 -7.014 10.825 1.00 0.00 O ATOM 0 H SER A 5 -9.354 -8.953 11.215 1.00 0.00 H new ATOM 0 HA SER A 5 -9.599 -6.201 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.912 -8.488 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.801 -6.894 8.862 1.00 0.00 H new ATOM 0 HG SER A 5 -6.266 -7.194 10.574 1.00 0.00 H new ATOM 48 N SER A 6 -10.767 -5.906 8.477 1.00 0.00 N ATOM 49 CA SER A 6 -11.582 -5.719 7.282 1.00 0.00 C ATOM 50 C SER A 6 -10.708 -5.652 6.034 1.00 0.00 C ATOM 51 O SER A 6 -10.997 -6.294 5.025 1.00 0.00 O ATOM 52 CB SER A 6 -12.417 -4.443 7.404 1.00 0.00 C ATOM 53 OG SER A 6 -13.235 -4.258 6.261 1.00 0.00 O ATOM 0 H SER A 6 -10.542 -5.044 8.973 1.00 0.00 H new ATOM 0 HA SER A 6 -12.251 -6.575 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.040 -4.496 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.758 -3.584 7.527 1.00 0.00 H new ATOM 0 HG SER A 6 -13.760 -3.437 6.364 1.00 0.00 H new ATOM 59 N GLY A 7 -9.637 -4.868 6.110 1.00 0.00 N ATOM 60 CA GLY A 7 -8.736 -4.730 4.981 1.00 0.00 C ATOM 61 C GLY A 7 -7.863 -5.953 4.783 1.00 0.00 C ATOM 62 O GLY A 7 -7.826 -6.844 5.632 1.00 0.00 O ATOM 0 H GLY A 7 -9.377 -4.326 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.317 -4.552 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.103 -3.856 5.130 1.00 0.00 H new ATOM 66 N THR A 8 -7.156 -5.998 3.657 1.00 0.00 N ATOM 67 CA THR A 8 -6.281 -7.121 3.349 1.00 0.00 C ATOM 68 C THR A 8 -4.846 -6.833 3.774 1.00 0.00 C ATOM 69 O THR A 8 -4.319 -5.740 3.566 1.00 0.00 O ATOM 70 CB THR A 8 -6.302 -7.453 1.845 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.654 -7.586 1.391 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.538 -8.739 1.564 1.00 0.00 C ATOM 0 H THR A 8 -7.173 -5.269 2.944 1.00 0.00 H new ATOM 0 HA THR A 8 -6.657 -7.977 3.908 1.00 0.00 H new ATOM 0 HB THR A 8 -5.818 -6.637 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.658 -7.795 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.567 -8.953 0.496 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.502 -8.624 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.997 -9.562 2.111 1.00 0.00 H new ATOM 80 N PRO A 9 -4.196 -7.835 4.384 1.00 0.00 N ATOM 81 CA PRO A 9 -2.811 -7.713 4.850 1.00 0.00 C ATOM 82 C PRO A 9 -1.816 -7.638 3.697 1.00 0.00 C ATOM 83 O PRO A 9 -1.871 -8.439 2.764 1.00 0.00 O ATOM 84 CB PRO A 9 -2.595 -8.994 5.660 1.00 0.00 C ATOM 85 CG PRO A 9 -3.566 -9.971 5.091 1.00 0.00 C ATOM 86 CD PRO A 9 -4.762 -9.165 4.665 1.00 0.00 C ATOM 0 HA PRO A 9 -2.653 -6.799 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.570 -9.354 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.778 -8.827 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.133 -10.504 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.844 -10.721 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.241 -9.592 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.518 -9.122 5.449 1.00 0.00 H new ATOM 94 N TYR A 10 -0.907 -6.672 3.769 1.00 0.00 N ATOM 95 CA TYR A 10 0.100 -6.492 2.729 1.00 0.00 C ATOM 96 C TYR A 10 1.443 -6.097 3.335 1.00 0.00 C ATOM 97 O TYR A 10 1.532 -5.776 4.520 1.00 0.00 O ATOM 98 CB TYR A 10 -0.354 -5.427 1.729 1.00 0.00 C ATOM 99 CG TYR A 10 -1.217 -5.973 0.614 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.522 -6.384 0.856 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.727 -6.078 -0.682 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.314 -6.884 -0.159 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.512 -6.576 -1.704 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.804 -6.977 -1.438 1.00 0.00 C ATOM 105 OH TYR A 10 -3.589 -7.474 -2.453 1.00 0.00 O ATOM 0 H TYR A 10 -0.846 -6.002 4.536 1.00 0.00 H new ATOM 0 HA TYR A 10 0.222 -7.442 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.908 -4.654 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.525 -4.949 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.924 -6.311 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.285 -5.765 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.326 -7.200 0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.116 -6.651 -2.706 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.081 -7.472 -3.291 1.00 0.00 H new ATOM 115 N ARG A 11 2.486 -6.122 2.512 1.00 0.00 N ATOM 116 CA ARG A 11 3.826 -5.767 2.965 1.00 0.00 C ATOM 117 C ARG A 11 4.578 -4.994 1.886 1.00 0.00 C ATOM 118 O ARG A 11 4.579 -5.381 0.718 1.00 0.00 O ATOM 119 CB ARG A 11 4.609 -7.025 3.345 1.00 0.00 C ATOM 120 CG ARG A 11 6.055 -6.752 3.725 1.00 0.00 C ATOM 121 CD ARG A 11 6.819 -8.042 3.976 1.00 0.00 C ATOM 122 NE ARG A 11 7.921 -7.852 4.915 1.00 0.00 N ATOM 123 CZ ARG A 11 8.967 -8.666 4.995 1.00 0.00 C ATOM 124 NH1 ARG A 11 9.054 -9.720 4.195 1.00 0.00 N ATOM 125 NH2 ARG A 11 9.930 -8.427 5.876 1.00 0.00 N ATOM 0 H ARG A 11 2.429 -6.384 1.528 1.00 0.00 H new ATOM 0 HA ARG A 11 3.728 -5.129 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.109 -7.515 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.588 -7.722 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.541 -6.189 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.086 -6.130 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.137 -8.797 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.209 -8.422 3.032 1.00 0.00 H new ATOM 0 HE ARG A 11 7.885 -7.050 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.316 -9.907 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.859 -10.344 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.867 -7.617 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.733 -9.053 5.936 1.00 0.00 H new ATOM 139 N ALA A 12 5.215 -3.899 2.286 1.00 0.00 N ATOM 140 CA ALA A 12 5.972 -3.072 1.354 1.00 0.00 C ATOM 141 C ALA A 12 7.276 -3.752 0.950 1.00 0.00 C ATOM 142 O ALA A 12 8.234 -3.786 1.722 1.00 0.00 O ATOM 143 CB ALA A 12 6.254 -1.708 1.967 1.00 0.00 C ATOM 0 H ALA A 12 5.222 -3.564 3.249 1.00 0.00 H new ATOM 0 HA ALA A 12 5.370 -2.937 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.820 -1.101 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.312 -1.211 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.833 -1.833 2.882 1.00 0.00 H new ATOM 149 N MET A 13 7.305 -4.293 -0.263 1.00 0.00 N ATOM 150 CA MET A 13 8.492 -4.973 -0.769 1.00 0.00 C ATOM 151 C MET A 13 9.701 -4.043 -0.746 1.00 0.00 C ATOM 152 O MET A 13 10.837 -4.491 -0.589 1.00 0.00 O ATOM 153 CB MET A 13 8.249 -5.478 -2.192 1.00 0.00 C ATOM 154 CG MET A 13 7.050 -6.404 -2.313 1.00 0.00 C ATOM 155 SD MET A 13 7.223 -7.593 -3.657 1.00 0.00 S ATOM 156 CE MET A 13 6.338 -6.752 -4.968 1.00 0.00 C ATOM 0 H MET A 13 6.520 -4.274 -0.914 1.00 0.00 H new ATOM 0 HA MET A 13 8.698 -5.824 -0.120 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.105 -4.623 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.139 -6.003 -2.539 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.914 -6.940 -1.374 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.151 -5.809 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.124 -7.456 -5.772 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.402 -6.352 -4.577 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.949 -5.936 -5.354 1.00 0.00 H new ATOM 166 N TYR A 14 9.450 -2.748 -0.903 1.00 0.00 N ATOM 167 CA TYR A 14 10.518 -1.756 -0.903 1.00 0.00 C ATOM 168 C TYR A 14 10.041 -0.442 -0.293 1.00 0.00 C ATOM 169 O TYR A 14 8.841 -0.180 -0.218 1.00 0.00 O ATOM 170 CB TYR A 14 11.021 -1.518 -2.328 1.00 0.00 C ATOM 171 CG TYR A 14 10.917 -2.735 -3.218 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.940 -3.675 -3.266 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.797 -2.945 -4.013 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.849 -4.789 -4.078 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.698 -4.057 -4.828 1.00 0.00 C ATOM 176 CZ TYR A 14 10.726 -4.975 -4.857 1.00 0.00 C ATOM 177 OH TYR A 14 10.632 -6.083 -5.668 1.00 0.00 O ATOM 0 H TYR A 14 8.515 -2.361 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 14 11.337 -2.141 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.451 -0.703 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.061 -1.195 -2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.821 -3.532 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.990 -2.227 -3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.653 -5.510 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.820 -4.206 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 14 9.779 -6.065 -6.149 1.00 0.00 H new ATOM 187 N GLN A 15 10.991 0.381 0.139 1.00 0.00 N ATOM 188 CA GLN A 15 10.669 1.669 0.742 1.00 0.00 C ATOM 189 C GLN A 15 10.123 2.638 -0.302 1.00 0.00 C ATOM 190 O GLN A 15 10.619 2.698 -1.427 1.00 0.00 O ATOM 191 CB GLN A 15 11.907 2.267 1.411 1.00 0.00 C ATOM 192 CG GLN A 15 11.605 3.480 2.277 1.00 0.00 C ATOM 193 CD GLN A 15 11.694 4.783 1.507 1.00 0.00 C ATOM 194 OE1 GLN A 15 11.815 4.786 0.282 1.00 0.00 O ATOM 195 NE2 GLN A 15 11.633 5.899 2.224 1.00 0.00 N ATOM 0 H GLN A 15 11.989 0.179 0.083 1.00 0.00 H new ATOM 0 HA GLN A 15 9.900 1.505 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.383 1.502 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.625 2.550 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.605 3.380 2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.304 3.508 3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.532 5.849 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.687 6.806 1.761 1.00 0.00 H new ATOM 204 N TYR A 16 9.099 3.394 0.078 1.00 0.00 N ATOM 205 CA TYR A 16 8.484 4.358 -0.826 1.00 0.00 C ATOM 206 C TYR A 16 8.713 5.786 -0.339 1.00 0.00 C ATOM 207 O TYR A 16 8.973 6.016 0.842 1.00 0.00 O ATOM 208 CB TYR A 16 6.984 4.086 -0.953 1.00 0.00 C ATOM 209 CG TYR A 16 6.289 4.979 -1.956 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.487 4.811 -3.320 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.433 5.990 -1.537 1.00 0.00 C ATOM 212 CE1 TYR A 16 5.854 5.625 -4.239 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.795 6.809 -2.449 1.00 0.00 C ATOM 214 CZ TYR A 16 5.009 6.623 -3.799 1.00 0.00 C ATOM 215 OH TYR A 16 4.376 7.435 -4.711 1.00 0.00 O ATOM 0 H TYR A 16 8.677 3.358 1.006 1.00 0.00 H new ATOM 0 HA TYR A 16 8.951 4.248 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.835 3.045 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.516 4.216 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.147 4.031 -3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.263 6.138 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.020 5.481 -5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.133 7.590 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 16 4.198 8.308 -4.303 1.00 0.00 H new ATOM 225 N ARG A 17 8.614 6.741 -1.258 1.00 0.00 N ATOM 226 CA ARG A 17 8.811 8.146 -0.923 1.00 0.00 C ATOM 227 C ARG A 17 7.692 9.005 -1.504 1.00 0.00 C ATOM 228 O ARG A 17 7.782 9.515 -2.621 1.00 0.00 O ATOM 229 CB ARG A 17 10.164 8.632 -1.446 1.00 0.00 C ATOM 230 CG ARG A 17 11.352 8.011 -0.729 1.00 0.00 C ATOM 231 CD ARG A 17 12.554 8.943 -0.733 1.00 0.00 C ATOM 232 NE ARG A 17 13.196 9.003 -2.044 1.00 0.00 N ATOM 233 CZ ARG A 17 14.194 9.830 -2.337 1.00 0.00 C ATOM 234 NH1 ARG A 17 14.662 10.661 -1.416 1.00 0.00 N ATOM 235 NH2 ARG A 17 14.726 9.825 -3.552 1.00 0.00 N ATOM 0 H ARG A 17 8.399 6.567 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 17 8.793 8.241 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.235 8.408 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.215 9.716 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.076 7.776 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.618 7.070 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.238 9.944 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.277 8.605 0.010 1.00 0.00 H new ATOM 0 HE ARG A 17 12.860 8.376 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.256 10.666 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.428 11.295 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.369 9.186 -4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.492 10.460 -3.776 1.00 0.00 H new ATOM 249 N PRO A 18 6.609 9.170 -0.729 1.00 0.00 N ATOM 250 CA PRO A 18 5.451 9.966 -1.145 1.00 0.00 C ATOM 251 C PRO A 18 5.762 11.458 -1.196 1.00 0.00 C ATOM 252 O PRO A 18 6.027 12.081 -0.169 1.00 0.00 O ATOM 253 CB PRO A 18 4.411 9.674 -0.061 1.00 0.00 C ATOM 254 CG PRO A 18 5.210 9.292 1.138 1.00 0.00 C ATOM 255 CD PRO A 18 6.433 8.591 0.614 1.00 0.00 C ATOM 0 HA PRO A 18 5.121 9.709 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.791 10.548 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.740 8.869 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.484 10.171 1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.638 8.639 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.302 8.772 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.290 7.511 0.571 1.00 0.00 H new ATOM 263 N GLN A 19 5.728 12.024 -2.398 1.00 0.00 N ATOM 264 CA GLN A 19 6.007 13.444 -2.582 1.00 0.00 C ATOM 265 C GLN A 19 5.078 14.296 -1.724 1.00 0.00 C ATOM 266 O GLN A 19 5.485 15.326 -1.188 1.00 0.00 O ATOM 267 CB GLN A 19 5.855 13.828 -4.055 1.00 0.00 C ATOM 268 CG GLN A 19 4.438 13.671 -4.582 1.00 0.00 C ATOM 269 CD GLN A 19 4.395 13.431 -6.078 1.00 0.00 C ATOM 270 OE1 GLN A 19 4.801 12.373 -6.561 1.00 0.00 O ATOM 271 NE2 GLN A 19 3.902 14.414 -6.822 1.00 0.00 N ATOM 0 H GLN A 19 5.510 11.522 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 19 7.034 13.631 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.170 14.863 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.527 13.212 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.954 12.839 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.865 14.567 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.577 15.274 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.849 14.309 -7.835 1.00 0.00 H new ATOM 280 N ASN A 20 3.829 13.859 -1.598 1.00 0.00 N ATOM 281 CA ASN A 20 2.843 14.584 -0.805 1.00 0.00 C ATOM 282 C ASN A 20 2.169 13.657 0.203 1.00 0.00 C ATOM 283 O ASN A 20 2.468 12.465 0.261 1.00 0.00 O ATOM 284 CB ASN A 20 1.789 15.216 -1.717 1.00 0.00 C ATOM 285 CG ASN A 20 1.283 14.251 -2.772 1.00 0.00 C ATOM 286 OD1 ASN A 20 0.780 13.174 -2.453 1.00 0.00 O ATOM 287 ND2 ASN A 20 1.416 14.634 -4.036 1.00 0.00 N ATOM 0 H ASN A 20 3.476 13.007 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 20 3.361 15.372 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.950 15.562 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.214 16.093 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.095 14.026 -4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.839 15.536 -4.254 1.00 0.00 H new ATOM 294 N GLU A 21 1.258 14.215 0.994 1.00 0.00 N ATOM 295 CA GLU A 21 0.542 13.439 2.000 1.00 0.00 C ATOM 296 C GLU A 21 -0.469 12.502 1.345 1.00 0.00 C ATOM 297 O GLU A 21 -0.642 11.361 1.774 1.00 0.00 O ATOM 298 CB GLU A 21 -0.171 14.370 2.983 1.00 0.00 C ATOM 299 CG GLU A 21 0.746 14.947 4.049 1.00 0.00 C ATOM 300 CD GLU A 21 1.575 13.884 4.743 1.00 0.00 C ATOM 301 OE1 GLU A 21 1.041 13.216 5.653 1.00 0.00 O ATOM 302 OE2 GLU A 21 2.758 13.719 4.376 1.00 0.00 O ATOM 0 H GLU A 21 0.998 15.201 0.958 1.00 0.00 H new ATOM 0 HA GLU A 21 1.270 12.838 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.629 15.189 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.979 13.822 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.411 15.680 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.147 15.477 4.790 1.00 0.00 H new ATOM 309 N ASP A 22 -1.134 12.993 0.305 1.00 0.00 N ATOM 310 CA ASP A 22 -2.128 12.200 -0.409 1.00 0.00 C ATOM 311 C ASP A 22 -1.678 10.748 -0.535 1.00 0.00 C ATOM 312 O ASP A 22 -2.486 9.827 -0.426 1.00 0.00 O ATOM 313 CB ASP A 22 -2.380 12.791 -1.798 1.00 0.00 C ATOM 314 CG ASP A 22 -3.320 13.980 -1.759 1.00 0.00 C ATOM 315 OD1 ASP A 22 -4.510 13.784 -1.436 1.00 0.00 O ATOM 316 OD2 ASP A 22 -2.866 15.105 -2.054 1.00 0.00 O ATOM 0 H ASP A 22 -1.003 13.936 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.056 12.225 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.430 13.096 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.799 12.022 -2.447 1.00 0.00 H new ATOM 321 N GLU A 23 -0.383 10.553 -0.765 1.00 0.00 N ATOM 322 CA GLU A 23 0.173 9.213 -0.907 1.00 0.00 C ATOM 323 C GLU A 23 0.685 8.691 0.433 1.00 0.00 C ATOM 324 O GLU A 23 1.207 9.451 1.249 1.00 0.00 O ATOM 325 CB GLU A 23 1.308 9.214 -1.934 1.00 0.00 C ATOM 326 CG GLU A 23 0.955 9.921 -3.231 1.00 0.00 C ATOM 327 CD GLU A 23 2.003 9.722 -4.308 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.162 10.134 -4.090 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.665 9.156 -5.369 1.00 0.00 O ATOM 0 H GLU A 23 0.300 11.305 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.622 8.553 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.183 9.694 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.587 8.184 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.005 9.553 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.835 10.987 -3.038 1.00 0.00 H new ATOM 336 N LEU A 24 0.531 7.390 0.652 1.00 0.00 N ATOM 337 CA LEU A 24 0.977 6.765 1.892 1.00 0.00 C ATOM 338 C LEU A 24 2.431 6.317 1.785 1.00 0.00 C ATOM 339 O LEU A 24 2.849 5.777 0.761 1.00 0.00 O ATOM 340 CB LEU A 24 0.086 5.569 2.233 1.00 0.00 C ATOM 341 CG LEU A 24 0.014 5.185 3.711 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.662 6.284 4.516 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.724 3.865 3.883 1.00 0.00 C ATOM 0 H LEU A 24 0.101 6.747 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 24 0.903 7.505 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.924 5.783 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.441 4.705 1.671 1.00 0.00 H new ATOM 0 HG LEU A 24 1.031 5.062 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.704 5.993 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.093 7.209 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.674 6.439 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.766 3.607 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.737 3.961 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.198 3.081 3.339 1.00 0.00 H new ATOM 355 N GLU A 25 3.195 6.543 2.849 1.00 0.00 N ATOM 356 CA GLU A 25 4.602 6.160 2.873 1.00 0.00 C ATOM 357 C GLU A 25 4.761 4.697 3.276 1.00 0.00 C ATOM 358 O GLU A 25 3.936 4.150 4.009 1.00 0.00 O ATOM 359 CB GLU A 25 5.379 7.054 3.842 1.00 0.00 C ATOM 360 CG GLU A 25 6.886 6.980 3.662 1.00 0.00 C ATOM 361 CD GLU A 25 7.643 7.643 4.797 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.315 7.368 5.970 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.563 8.437 4.511 1.00 0.00 O ATOM 0 H GLU A 25 2.864 6.989 3.705 1.00 0.00 H new ATOM 0 HA GLU A 25 5.004 6.288 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.056 8.086 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.129 6.771 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.189 5.935 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.159 7.457 2.721 1.00 0.00 H new ATOM 370 N LEU A 26 5.826 4.069 2.791 1.00 0.00 N ATOM 371 CA LEU A 26 6.095 2.669 3.099 1.00 0.00 C ATOM 372 C LEU A 26 7.587 2.434 3.310 1.00 0.00 C ATOM 373 O LEU A 26 8.422 3.144 2.751 1.00 0.00 O ATOM 374 CB LEU A 26 5.580 1.771 1.972 1.00 0.00 C ATOM 375 CG LEU A 26 4.132 2.001 1.539 1.00 0.00 C ATOM 376 CD1 LEU A 26 3.939 1.598 0.085 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.177 1.230 2.439 1.00 0.00 C ATOM 0 H LEU A 26 6.518 4.507 2.183 1.00 0.00 H new ATOM 0 HA LEU A 26 5.573 2.419 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.224 1.907 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.684 0.732 2.286 1.00 0.00 H new ATOM 0 HG LEU A 26 3.910 3.064 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.902 1.769 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.596 2.194 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.180 0.542 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.151 1.406 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.399 0.165 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.296 1.567 3.469 1.00 0.00 H new ATOM 389 N ARG A 27 7.914 1.432 4.120 1.00 0.00 N ATOM 390 CA ARG A 27 9.306 1.103 4.405 1.00 0.00 C ATOM 391 C ARG A 27 9.579 -0.375 4.143 1.00 0.00 C ATOM 392 O ARG A 27 8.840 -1.244 4.606 1.00 0.00 O ATOM 393 CB ARG A 27 9.647 1.447 5.856 1.00 0.00 C ATOM 394 CG ARG A 27 11.111 1.792 6.072 1.00 0.00 C ATOM 395 CD ARG A 27 11.359 2.315 7.478 1.00 0.00 C ATOM 396 NE ARG A 27 11.230 1.263 8.483 1.00 0.00 N ATOM 397 CZ ARG A 27 11.803 1.318 9.681 1.00 0.00 C ATOM 398 NH1 ARG A 27 12.539 2.367 10.020 1.00 0.00 N ATOM 399 NH2 ARG A 27 11.639 0.322 10.542 1.00 0.00 N ATOM 0 H ARG A 27 7.234 0.834 4.590 1.00 0.00 H new ATOM 0 HA ARG A 27 9.937 1.695 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.033 2.289 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.384 0.602 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.724 0.907 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.420 2.542 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.358 2.748 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.652 3.115 7.697 1.00 0.00 H new ATOM 0 HE ARG A 27 10.670 0.442 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.667 3.135 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.977 2.406 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.073 -0.487 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.079 0.365 11.461 1.00 0.00 H new ATOM 413 N GLU A 28 10.645 -0.652 3.398 1.00 0.00 N ATOM 414 CA GLU A 28 11.014 -2.025 3.075 1.00 0.00 C ATOM 415 C GLU A 28 10.718 -2.959 4.245 1.00 0.00 C ATOM 416 O GLU A 28 11.340 -2.863 5.302 1.00 0.00 O ATOM 417 CB GLU A 28 12.497 -2.105 2.707 1.00 0.00 C ATOM 418 CG GLU A 28 12.914 -3.455 2.149 1.00 0.00 C ATOM 419 CD GLU A 28 14.386 -3.747 2.367 1.00 0.00 C ATOM 420 OE1 GLU A 28 14.822 -3.764 3.537 1.00 0.00 O ATOM 421 OE2 GLU A 28 15.102 -3.959 1.366 1.00 0.00 O ATOM 0 H GLU A 28 11.267 0.056 3.007 1.00 0.00 H new ATOM 0 HA GLU A 28 10.417 -2.342 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.722 -1.332 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.095 -1.887 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.319 -4.238 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.695 -3.486 1.082 1.00 0.00 H new ATOM 428 N GLY A 29 9.761 -3.861 4.048 1.00 0.00 N ATOM 429 CA GLY A 29 9.398 -4.798 5.095 1.00 0.00 C ATOM 430 C GLY A 29 8.434 -4.200 6.099 1.00 0.00 C ATOM 431 O GLY A 29 8.568 -4.416 7.304 1.00 0.00 O ATOM 0 H GLY A 29 9.231 -3.959 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.947 -5.683 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.299 -5.127 5.613 1.00 0.00 H new ATOM 435 N ASP A 30 7.460 -3.444 5.605 1.00 0.00 N ATOM 436 CA ASP A 30 6.469 -2.811 6.468 1.00 0.00 C ATOM 437 C ASP A 30 5.071 -3.343 6.171 1.00 0.00 C ATOM 438 O ASP A 30 4.713 -3.565 5.014 1.00 0.00 O ATOM 439 CB ASP A 30 6.500 -1.293 6.287 1.00 0.00 C ATOM 440 CG ASP A 30 7.521 -0.623 7.186 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.586 -1.229 7.429 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.256 0.507 7.646 1.00 0.00 O ATOM 0 H ASP A 30 7.335 -3.254 4.611 1.00 0.00 H new ATOM 0 HA ASP A 30 6.717 -3.051 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.727 -1.059 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.512 -0.885 6.497 1.00 0.00 H new ATOM 447 N ARG A 31 4.285 -3.546 7.223 1.00 0.00 N ATOM 448 CA ARG A 31 2.927 -4.055 7.076 1.00 0.00 C ATOM 449 C ARG A 31 1.978 -2.948 6.625 1.00 0.00 C ATOM 450 O ARG A 31 2.018 -1.832 7.143 1.00 0.00 O ATOM 451 CB ARG A 31 2.437 -4.654 8.395 1.00 0.00 C ATOM 452 CG ARG A 31 2.930 -6.071 8.641 1.00 0.00 C ATOM 453 CD ARG A 31 2.275 -7.061 7.692 1.00 0.00 C ATOM 454 NE ARG A 31 2.328 -8.428 8.205 1.00 0.00 N ATOM 455 CZ ARG A 31 3.367 -9.237 8.034 1.00 0.00 C ATOM 456 NH1 ARG A 31 4.435 -8.819 7.368 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.341 -10.467 8.531 1.00 0.00 N ATOM 0 H ARG A 31 4.566 -3.366 8.187 1.00 0.00 H new ATOM 0 HA ARG A 31 2.939 -4.834 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.763 -4.017 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.347 -4.651 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.012 -6.108 8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.718 -6.358 9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.236 -6.775 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.772 -7.018 6.723 1.00 0.00 H new ATOM 0 HE ARG A 31 1.523 -8.780 8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.460 -7.874 6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.232 -9.443 7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.522 -10.792 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.140 -11.087 8.399 1.00 0.00 H new ATOM 471 N VAL A 32 1.125 -3.265 5.655 1.00 0.00 N ATOM 472 CA VAL A 32 0.166 -2.298 5.134 1.00 0.00 C ATOM 473 C VAL A 32 -1.245 -2.874 5.126 1.00 0.00 C ATOM 474 O VAL A 32 -1.439 -4.064 4.877 1.00 0.00 O ATOM 475 CB VAL A 32 0.536 -1.854 3.707 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.181 -0.561 3.347 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.043 -1.692 3.573 1.00 0.00 C ATOM 0 H VAL A 32 1.079 -4.184 5.215 1.00 0.00 H new ATOM 0 HA VAL A 32 0.198 -1.432 5.795 1.00 0.00 H new ATOM 0 HB VAL A 32 0.213 -2.627 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.093 -0.263 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.259 -0.715 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.109 0.223 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.286 -1.378 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.392 -0.939 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.531 -2.643 3.785 1.00 0.00 H new ATOM 487 N ASP A 33 -2.227 -2.022 5.399 1.00 0.00 N ATOM 488 CA ASP A 33 -3.623 -2.446 5.421 1.00 0.00 C ATOM 489 C ASP A 33 -4.377 -1.896 4.215 1.00 0.00 C ATOM 490 O ASP A 33 -4.926 -0.795 4.262 1.00 0.00 O ATOM 491 CB ASP A 33 -4.297 -1.985 6.714 1.00 0.00 C ATOM 492 CG ASP A 33 -3.913 -2.841 7.904 1.00 0.00 C ATOM 493 OD1 ASP A 33 -2.700 -3.026 8.136 1.00 0.00 O ATOM 494 OD2 ASP A 33 -4.826 -3.326 8.605 1.00 0.00 O ATOM 0 H ASP A 33 -2.083 -1.034 5.608 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.648 -3.535 5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.024 -0.948 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.379 -2.011 6.585 1.00 0.00 H new ATOM 499 N VAL A 34 -4.399 -2.669 3.133 1.00 0.00 N ATOM 500 CA VAL A 34 -5.085 -2.259 1.914 1.00 0.00 C ATOM 501 C VAL A 34 -6.598 -2.372 2.071 1.00 0.00 C ATOM 502 O VAL A 34 -7.105 -3.366 2.591 1.00 0.00 O ATOM 503 CB VAL A 34 -4.640 -3.106 0.707 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.630 -2.964 -0.439 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.240 -2.708 0.266 1.00 0.00 C ATOM 0 H VAL A 34 -3.949 -3.583 3.077 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.818 -1.218 1.735 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.618 -4.153 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.299 -3.569 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.614 -3.302 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.687 -1.919 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.941 -3.316 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.233 -1.656 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.541 -2.867 1.087 1.00 0.00 H new ATOM 515 N MET A 35 -7.312 -1.348 1.616 1.00 0.00 N ATOM 516 CA MET A 35 -8.768 -1.334 1.704 1.00 0.00 C ATOM 517 C MET A 35 -9.398 -1.569 0.335 1.00 0.00 C ATOM 518 O MET A 35 -10.190 -2.494 0.157 1.00 0.00 O ATOM 519 CB MET A 35 -9.253 -0.002 2.280 1.00 0.00 C ATOM 520 CG MET A 35 -8.529 0.410 3.551 1.00 0.00 C ATOM 521 SD MET A 35 -9.245 -0.332 5.030 1.00 0.00 S ATOM 522 CE MET A 35 -8.222 0.400 6.306 1.00 0.00 C ATOM 0 H MET A 35 -6.907 -0.518 1.183 1.00 0.00 H new ATOM 0 HA MET A 35 -9.074 -2.142 2.369 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.124 0.778 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.321 -0.072 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.480 0.123 3.476 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.556 1.496 3.644 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.543 0.037 7.282 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.181 0.124 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.319 1.485 6.272 1.00 0.00 H new ATOM 532 N GLN A 36 -9.041 -0.726 -0.628 1.00 0.00 N ATOM 533 CA GLN A 36 -9.572 -0.842 -1.981 1.00 0.00 C ATOM 534 C GLN A 36 -8.461 -1.150 -2.978 1.00 0.00 C ATOM 535 O GLN A 36 -7.281 -0.961 -2.683 1.00 0.00 O ATOM 536 CB GLN A 36 -10.291 0.447 -2.382 1.00 0.00 C ATOM 537 CG GLN A 36 -10.815 0.434 -3.809 1.00 0.00 C ATOM 538 CD GLN A 36 -11.844 1.517 -4.063 1.00 0.00 C ATOM 539 OE1 GLN A 36 -12.782 1.693 -3.286 1.00 0.00 O ATOM 540 NE2 GLN A 36 -11.674 2.251 -5.157 1.00 0.00 N ATOM 0 H GLN A 36 -8.386 0.045 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.285 -1.666 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.124 0.616 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.606 1.287 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.981 0.562 -4.499 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.258 -0.539 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.882 2.071 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.335 2.995 -5.380 1.00 0.00 H new ATOM 549 N GLN A 37 -8.846 -1.624 -4.159 1.00 0.00 N ATOM 550 CA GLN A 37 -7.880 -1.958 -5.199 1.00 0.00 C ATOM 551 C GLN A 37 -8.231 -1.264 -6.511 1.00 0.00 C ATOM 552 O GLN A 37 -9.308 -1.477 -7.068 1.00 0.00 O ATOM 553 CB GLN A 37 -7.828 -3.473 -5.408 1.00 0.00 C ATOM 554 CG GLN A 37 -7.693 -4.261 -4.115 1.00 0.00 C ATOM 555 CD GLN A 37 -7.439 -5.736 -4.355 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.681 -6.110 -5.251 1.00 0.00 O ATOM 557 NE2 GLN A 37 -8.072 -6.584 -3.553 1.00 0.00 N ATOM 0 H GLN A 37 -9.819 -1.785 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.900 -1.609 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.733 -3.791 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.988 -3.713 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.875 -3.847 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.603 -4.144 -3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.691 -6.230 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.939 -7.589 -3.666 1.00 0.00 H new ATOM 566 N CYS A 38 -7.316 -0.434 -6.998 1.00 0.00 N ATOM 567 CA CYS A 38 -7.529 0.293 -8.244 1.00 0.00 C ATOM 568 C CYS A 38 -7.170 -0.573 -9.447 1.00 0.00 C ATOM 569 O CYS A 38 -6.336 -1.473 -9.349 1.00 0.00 O ATOM 570 CB CYS A 38 -6.698 1.577 -8.258 1.00 0.00 C ATOM 571 SG CYS A 38 -7.499 2.985 -7.454 1.00 0.00 S ATOM 0 H CYS A 38 -6.419 -0.248 -6.549 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.586 0.552 -8.309 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.745 1.385 -7.765 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.475 1.841 -9.292 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.717 4.022 -7.515 1.00 0.00 H new ATOM 577 N ASP A 39 -7.805 -0.295 -10.580 1.00 0.00 N ATOM 578 CA ASP A 39 -7.553 -1.049 -11.802 1.00 0.00 C ATOM 579 C ASP A 39 -6.171 -0.729 -12.363 1.00 0.00 C ATOM 580 O ASP A 39 -5.372 -1.630 -12.623 1.00 0.00 O ATOM 581 CB ASP A 39 -8.625 -0.739 -12.848 1.00 0.00 C ATOM 582 CG ASP A 39 -10.008 -0.614 -12.240 1.00 0.00 C ATOM 583 OD1 ASP A 39 -10.314 0.458 -11.678 1.00 0.00 O ATOM 584 OD2 ASP A 39 -10.784 -1.589 -12.325 1.00 0.00 O ATOM 0 H ASP A 39 -8.498 0.447 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.590 -2.111 -11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.371 0.189 -13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.632 -1.527 -13.601 1.00 0.00 H new ATOM 589 N ASP A 40 -5.896 0.557 -12.547 1.00 0.00 N ATOM 590 CA ASP A 40 -4.610 0.996 -13.077 1.00 0.00 C ATOM 591 C ASP A 40 -3.469 0.178 -12.480 1.00 0.00 C ATOM 592 O ASP A 40 -2.406 0.043 -13.084 1.00 0.00 O ATOM 593 CB ASP A 40 -4.395 2.482 -12.788 1.00 0.00 C ATOM 594 CG ASP A 40 -5.288 3.371 -13.630 1.00 0.00 C ATOM 595 OD1 ASP A 40 -5.421 3.101 -14.843 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.855 4.337 -13.078 1.00 0.00 O ATOM 0 H ASP A 40 -6.546 1.314 -12.337 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.618 0.842 -14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.586 2.675 -11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.352 2.738 -12.975 1.00 0.00 H new ATOM 601 N GLY A 41 -3.697 -0.364 -11.288 1.00 0.00 N ATOM 602 CA GLY A 41 -2.678 -1.160 -10.628 1.00 0.00 C ATOM 603 C GLY A 41 -2.164 -0.508 -9.360 1.00 0.00 C ATOM 604 O GLY A 41 -0.970 -0.566 -9.065 1.00 0.00 O ATOM 0 H GLY A 41 -4.569 -0.266 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.087 -2.142 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.846 -1.320 -11.314 1.00 0.00 H new ATOM 608 N TRP A 42 -3.066 0.114 -8.609 1.00 0.00 N ATOM 609 CA TRP A 42 -2.696 0.782 -7.366 1.00 0.00 C ATOM 610 C TRP A 42 -3.546 0.279 -6.204 1.00 0.00 C ATOM 611 O TRP A 42 -4.526 -0.438 -6.405 1.00 0.00 O ATOM 612 CB TRP A 42 -2.851 2.296 -7.511 1.00 0.00 C ATOM 613 CG TRP A 42 -1.624 2.972 -8.042 1.00 0.00 C ATOM 614 CD1 TRP A 42 -1.026 2.753 -9.251 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.843 3.974 -7.382 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.079 3.559 -9.381 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.213 4.318 -8.249 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.934 4.615 -6.144 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.169 5.273 -7.915 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.016 5.563 -5.814 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.056 5.885 -6.696 1.00 0.00 C ATOM 0 H TRP A 42 -4.058 0.170 -8.839 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.652 0.550 -7.154 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.689 2.506 -8.176 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.100 2.723 -6.540 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.371 2.050 -9.995 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.699 3.587 -10.190 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.732 4.374 -5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.971 5.522 -8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -0.044 6.064 -4.859 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.783 6.631 -6.408 1.00 0.00 H new ATOM 632 N PHE A 43 -3.165 0.660 -4.990 1.00 0.00 N ATOM 633 CA PHE A 43 -3.893 0.247 -3.795 1.00 0.00 C ATOM 634 C PHE A 43 -4.123 1.432 -2.862 1.00 0.00 C ATOM 635 O PHE A 43 -3.296 2.340 -2.778 1.00 0.00 O ATOM 636 CB PHE A 43 -3.126 -0.855 -3.061 1.00 0.00 C ATOM 637 CG PHE A 43 -2.981 -2.119 -3.859 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.078 -2.689 -4.484 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.747 -2.737 -3.983 1.00 0.00 C ATOM 640 CE1 PHE A 43 -3.947 -3.852 -5.220 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.611 -3.900 -4.718 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.712 -4.458 -5.336 1.00 0.00 C ATOM 0 H PHE A 43 -2.356 1.254 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.863 -0.141 -4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.135 -0.484 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.638 -1.082 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.047 -2.220 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.882 -2.306 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.810 -4.286 -5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.644 -4.372 -4.809 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.607 -5.367 -5.909 1.00 0.00 H new ATOM 652 N VAL A 44 -5.253 1.415 -2.162 1.00 0.00 N ATOM 653 CA VAL A 44 -5.592 2.487 -1.233 1.00 0.00 C ATOM 654 C VAL A 44 -5.952 1.931 0.140 1.00 0.00 C ATOM 655 O VAL A 44 -6.994 1.299 0.312 1.00 0.00 O ATOM 656 CB VAL A 44 -6.769 3.331 -1.758 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.108 4.443 -0.776 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.446 3.901 -3.130 1.00 0.00 C ATOM 0 H VAL A 44 -5.949 0.671 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.710 3.121 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.642 2.685 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.942 5.029 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.385 4.008 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.240 5.089 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.289 4.494 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.560 4.533 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.257 3.085 -3.828 1.00 0.00 H new ATOM 668 N GLY A 45 -5.082 2.171 1.116 1.00 0.00 N ATOM 669 CA GLY A 45 -5.326 1.688 2.463 1.00 0.00 C ATOM 670 C GLY A 45 -4.655 2.546 3.517 1.00 0.00 C ATOM 671 O GLY A 45 -4.559 3.764 3.367 1.00 0.00 O ATOM 0 H GLY A 45 -4.213 2.691 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.400 1.664 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.965 0.663 2.549 1.00 0.00 H new ATOM 675 N VAL A 46 -4.191 1.910 4.588 1.00 0.00 N ATOM 676 CA VAL A 46 -3.526 2.623 5.672 1.00 0.00 C ATOM 677 C VAL A 46 -2.160 2.017 5.972 1.00 0.00 C ATOM 678 O VAL A 46 -1.902 0.855 5.657 1.00 0.00 O ATOM 679 CB VAL A 46 -4.376 2.608 6.957 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.570 3.134 8.135 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.647 3.421 6.764 1.00 0.00 C ATOM 0 H VAL A 46 -4.263 0.902 4.728 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.398 3.654 5.342 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.661 1.578 7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.186 3.116 9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.692 2.506 8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.254 4.157 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.235 3.400 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.387 4.452 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.231 2.995 5.948 1.00 0.00 H new ATOM 691 N SER A 47 -1.288 2.811 6.584 1.00 0.00 N ATOM 692 CA SER A 47 0.054 2.354 6.925 1.00 0.00 C ATOM 693 C SER A 47 0.110 1.856 8.366 1.00 0.00 C ATOM 694 O SER A 47 -0.746 2.193 9.184 1.00 0.00 O ATOM 695 CB SER A 47 1.067 3.484 6.725 1.00 0.00 C ATOM 696 OG SER A 47 2.393 3.015 6.894 1.00 0.00 O ATOM 0 H SER A 47 -1.487 3.774 6.854 1.00 0.00 H new ATOM 0 HA SER A 47 0.307 1.526 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.952 3.907 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.868 4.285 7.436 1.00 0.00 H new ATOM 0 HG SER A 47 3.021 3.755 6.760 1.00 0.00 H new ATOM 702 N ARG A 48 1.122 1.050 8.668 1.00 0.00 N ATOM 703 CA ARG A 48 1.290 0.503 10.009 1.00 0.00 C ATOM 704 C ARG A 48 2.418 1.215 10.750 1.00 0.00 C ATOM 705 O ARG A 48 2.738 0.875 11.889 1.00 0.00 O ATOM 706 CB ARG A 48 1.578 -0.997 9.939 1.00 0.00 C ATOM 707 CG ARG A 48 0.382 -1.828 9.504 1.00 0.00 C ATOM 708 CD ARG A 48 -0.684 -1.879 10.586 1.00 0.00 C ATOM 709 NE ARG A 48 -0.177 -2.460 11.827 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.947 -2.755 12.869 1.00 0.00 C ATOM 711 NH1 ARG A 48 -2.251 -2.524 12.820 1.00 0.00 N ATOM 712 NH2 ARG A 48 -0.411 -3.281 13.963 1.00 0.00 N ATOM 0 H ARG A 48 1.838 0.761 8.002 1.00 0.00 H new ATOM 0 HA ARG A 48 0.362 0.662 10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.400 -1.168 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.911 -1.340 10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.043 -1.407 8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.708 -2.840 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.051 -0.871 10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.532 -2.464 10.232 1.00 0.00 H new ATOM 0 HE ARG A 48 0.823 -2.650 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.666 -2.119 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.840 -2.751 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.592 -3.459 14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.002 -3.507 14.763 1.00 0.00 H new ATOM 726 N ARG A 49 3.017 2.205 10.095 1.00 0.00 N ATOM 727 CA ARG A 49 4.110 2.963 10.690 1.00 0.00 C ATOM 728 C ARG A 49 3.662 4.380 11.039 1.00 0.00 C ATOM 729 O ARG A 49 4.088 4.947 12.046 1.00 0.00 O ATOM 730 CB ARG A 49 5.303 3.015 9.734 1.00 0.00 C ATOM 731 CG ARG A 49 6.589 3.490 10.391 1.00 0.00 C ATOM 732 CD ARG A 49 7.231 2.389 11.221 1.00 0.00 C ATOM 733 NE ARG A 49 6.679 2.331 12.572 1.00 0.00 N ATOM 734 CZ ARG A 49 6.806 3.311 13.460 1.00 0.00 C ATOM 735 NH1 ARG A 49 7.460 4.419 13.141 1.00 0.00 N ATOM 736 NH2 ARG A 49 6.276 3.184 14.670 1.00 0.00 N ATOM 0 H ARG A 49 2.763 2.500 9.152 1.00 0.00 H new ATOM 0 HA ARG A 49 4.411 2.459 11.608 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.465 2.022 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.063 3.678 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.288 3.824 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.378 4.350 11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.082 1.429 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.307 2.556 11.276 1.00 0.00 H new ATOM 0 HE ARG A 49 6.168 1.493 12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.867 4.521 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.556 5.170 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.771 2.334 14.919 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.374 3.937 15.351 1.00 0.00 H new ATOM 750 N THR A 50 2.801 4.946 10.200 1.00 0.00 N ATOM 751 CA THR A 50 2.297 6.296 10.418 1.00 0.00 C ATOM 752 C THR A 50 0.788 6.292 10.630 1.00 0.00 C ATOM 753 O THR A 50 0.211 7.287 11.069 1.00 0.00 O ATOM 754 CB THR A 50 2.635 7.220 9.232 1.00 0.00 C ATOM 755 OG1 THR A 50 2.057 6.704 8.029 1.00 0.00 O ATOM 756 CG2 THR A 50 4.141 7.353 9.061 1.00 0.00 C ATOM 0 H THR A 50 2.438 4.490 9.363 1.00 0.00 H new ATOM 0 HA THR A 50 2.786 6.675 11.315 1.00 0.00 H new ATOM 0 HB THR A 50 2.221 8.207 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.275 7.298 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.355 8.010 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.574 7.774 9.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.574 6.370 8.874 1.00 0.00 H new ATOM 764 N GLN A 51 0.154 5.167 10.316 1.00 0.00 N ATOM 765 CA GLN A 51 -1.290 5.034 10.473 1.00 0.00 C ATOM 766 C GLN A 51 -2.026 6.067 9.626 1.00 0.00 C ATOM 767 O GLN A 51 -3.136 6.482 9.960 1.00 0.00 O ATOM 768 CB GLN A 51 -1.681 5.191 11.944 1.00 0.00 C ATOM 769 CG GLN A 51 -1.051 4.150 12.855 1.00 0.00 C ATOM 770 CD GLN A 51 -1.541 2.745 12.563 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.372 2.537 11.678 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.027 1.772 13.306 1.00 0.00 N ATOM 0 H GLN A 51 0.617 4.335 9.951 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.578 4.039 10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.389 6.184 12.285 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.766 5.130 12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.033 4.183 12.743 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.272 4.399 13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.341 1.990 14.028 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.318 0.806 13.154 1.00 0.00 H new ATOM 781 N LYS A 52 -1.401 6.479 8.529 1.00 0.00 N ATOM 782 CA LYS A 52 -1.997 7.463 7.632 1.00 0.00 C ATOM 783 C LYS A 52 -2.847 6.782 6.565 1.00 0.00 C ATOM 784 O LYS A 52 -2.695 5.588 6.304 1.00 0.00 O ATOM 785 CB LYS A 52 -0.905 8.305 6.969 1.00 0.00 C ATOM 786 CG LYS A 52 -0.279 9.330 7.898 1.00 0.00 C ATOM 787 CD LYS A 52 -1.099 10.608 7.953 1.00 0.00 C ATOM 788 CE LYS A 52 -0.799 11.410 9.210 1.00 0.00 C ATOM 789 NZ LYS A 52 0.484 12.158 9.098 1.00 0.00 N ATOM 0 H LYS A 52 -0.481 6.147 8.239 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.641 8.114 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.125 7.643 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.328 8.820 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.192 8.909 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.732 9.559 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.887 11.216 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.160 10.362 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.613 12.111 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.754 10.738 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.652 12.692 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.264 11.488 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.432 12.818 8.296 1.00 0.00 H new ATOM 803 N PHE A 53 -3.742 7.548 5.949 1.00 0.00 N ATOM 804 CA PHE A 53 -4.616 7.018 4.909 1.00 0.00 C ATOM 805 C PHE A 53 -4.355 7.711 3.575 1.00 0.00 C ATOM 806 O PHE A 53 -4.342 8.938 3.492 1.00 0.00 O ATOM 807 CB PHE A 53 -6.082 7.192 5.309 1.00 0.00 C ATOM 808 CG PHE A 53 -7.049 6.674 4.283 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.392 5.332 4.249 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.614 7.530 3.350 1.00 0.00 C ATOM 811 CE1 PHE A 53 -8.281 4.853 3.306 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.504 7.056 2.405 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.837 5.716 2.382 1.00 0.00 C ATOM 0 H PHE A 53 -3.881 8.538 6.152 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.401 5.955 4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.256 6.677 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.280 8.250 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.959 4.652 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.356 8.579 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.541 3.805 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.939 7.733 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.531 5.344 1.643 1.00 0.00 H new ATOM 823 N GLY A 54 -4.148 6.913 2.531 1.00 0.00 N ATOM 824 CA GLY A 54 -3.890 7.466 1.215 1.00 0.00 C ATOM 825 C GLY A 54 -3.780 6.396 0.147 1.00 0.00 C ATOM 826 O GLY A 54 -4.286 5.285 0.316 1.00 0.00 O ATOM 0 H GLY A 54 -4.155 5.894 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.691 8.157 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.966 8.044 1.242 1.00 0.00 H new ATOM 830 N THR A 55 -3.118 6.728 -0.957 1.00 0.00 N ATOM 831 CA THR A 55 -2.945 5.788 -2.057 1.00 0.00 C ATOM 832 C THR A 55 -1.469 5.581 -2.376 1.00 0.00 C ATOM 833 O THR A 55 -0.678 6.523 -2.340 1.00 0.00 O ATOM 834 CB THR A 55 -3.671 6.271 -3.327 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.518 5.307 -4.375 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.124 7.615 -3.785 1.00 0.00 C ATOM 0 H THR A 55 -2.693 7.642 -1.113 1.00 0.00 H new ATOM 0 HA THR A 55 -3.380 4.842 -1.736 1.00 0.00 H new ATOM 0 HB THR A 55 -4.729 6.388 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.984 5.621 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.652 7.936 -4.683 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.267 8.354 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.060 7.520 -4.004 1.00 0.00 H new ATOM 844 N PHE A 56 -1.105 4.342 -2.689 1.00 0.00 N ATOM 845 CA PHE A 56 0.277 4.010 -3.015 1.00 0.00 C ATOM 846 C PHE A 56 0.339 2.982 -4.140 1.00 0.00 C ATOM 847 O PHE A 56 -0.604 2.226 -4.378 1.00 0.00 O ATOM 848 CB PHE A 56 1.000 3.474 -1.778 1.00 0.00 C ATOM 849 CG PHE A 56 0.174 2.514 -0.970 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.679 2.976 0.019 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.252 1.149 -1.199 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.440 2.095 0.764 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.508 0.264 -0.458 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.354 0.738 0.526 1.00 0.00 C ATOM 0 H PHE A 56 -1.748 3.551 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 56 0.773 4.920 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.918 2.977 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.291 4.312 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.750 4.037 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.914 0.773 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.102 2.468 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.441 -0.797 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.947 0.048 1.108 1.00 0.00 H new ATOM 864 N PRO A 57 1.476 2.951 -4.851 1.00 0.00 N ATOM 865 CA PRO A 57 1.689 2.020 -5.963 1.00 0.00 C ATOM 866 C PRO A 57 1.830 0.577 -5.493 1.00 0.00 C ATOM 867 O PRO A 57 2.794 0.226 -4.813 1.00 0.00 O ATOM 868 CB PRO A 57 2.999 2.509 -6.588 1.00 0.00 C ATOM 869 CG PRO A 57 3.711 3.204 -5.480 1.00 0.00 C ATOM 870 CD PRO A 57 2.641 3.822 -4.623 1.00 0.00 C ATOM 0 HA PRO A 57 0.847 2.012 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.587 1.677 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.811 3.184 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.315 2.503 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.388 3.965 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.929 3.841 -3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.436 4.852 -4.916 1.00 0.00 H new ATOM 878 N GLY A 58 0.862 -0.257 -5.859 1.00 0.00 N ATOM 879 CA GLY A 58 0.897 -1.654 -5.465 1.00 0.00 C ATOM 880 C GLY A 58 2.174 -2.346 -5.898 1.00 0.00 C ATOM 881 O GLY A 58 2.488 -3.436 -5.423 1.00 0.00 O ATOM 0 H GLY A 58 0.054 0.009 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.798 -1.726 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.042 -2.172 -5.898 1.00 0.00 H new ATOM 885 N ASN A 59 2.911 -1.712 -6.804 1.00 0.00 N ATOM 886 CA ASN A 59 4.161 -2.275 -7.303 1.00 0.00 C ATOM 887 C ASN A 59 5.223 -2.296 -6.208 1.00 0.00 C ATOM 888 O ASN A 59 6.256 -2.952 -6.345 1.00 0.00 O ATOM 889 CB ASN A 59 4.664 -1.470 -8.503 1.00 0.00 C ATOM 890 CG ASN A 59 3.627 -1.362 -9.603 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.611 -2.164 -10.537 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.754 -0.367 -9.498 1.00 0.00 N ATOM 0 H ASN A 59 2.665 -0.808 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 59 3.969 -3.301 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.946 -0.470 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.564 -1.940 -8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.033 -0.244 -10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.805 0.274 -8.706 1.00 0.00 H new ATOM 899 N TYR A 60 4.962 -1.576 -5.124 1.00 0.00 N ATOM 900 CA TYR A 60 5.896 -1.510 -4.006 1.00 0.00 C ATOM 901 C TYR A 60 5.498 -2.488 -2.905 1.00 0.00 C ATOM 902 O TYR A 60 6.346 -2.990 -2.168 1.00 0.00 O ATOM 903 CB TYR A 60 5.953 -0.088 -3.445 1.00 0.00 C ATOM 904 CG TYR A 60 6.794 0.856 -4.273 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.338 1.332 -5.497 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.044 1.273 -3.832 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.104 2.195 -6.257 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.815 2.137 -4.585 1.00 0.00 C ATOM 909 CZ TYR A 60 8.341 2.595 -5.797 1.00 0.00 C ATOM 910 OH TYR A 60 9.107 3.454 -6.551 1.00 0.00 O ATOM 0 H TYR A 60 4.111 -1.029 -4.995 1.00 0.00 H new ATOM 0 HA TYR A 60 6.884 -1.788 -4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.940 0.307 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.352 -0.122 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.369 1.022 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.419 0.915 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.736 2.554 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.784 2.452 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 60 9.949 3.637 -6.084 1.00 0.00 H new ATOM 920 N VAL A 61 4.199 -2.755 -2.801 1.00 0.00 N ATOM 921 CA VAL A 61 3.687 -3.674 -1.792 1.00 0.00 C ATOM 922 C VAL A 61 3.278 -5.004 -2.416 1.00 0.00 C ATOM 923 O VAL A 61 3.309 -5.163 -3.636 1.00 0.00 O ATOM 924 CB VAL A 61 2.477 -3.075 -1.050 1.00 0.00 C ATOM 925 CG1 VAL A 61 2.836 -1.726 -0.445 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.286 -2.948 -1.988 1.00 0.00 C ATOM 0 H VAL A 61 3.483 -2.348 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 61 4.494 -3.843 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 61 2.201 -3.748 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.969 -1.318 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.657 -1.851 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.139 -1.041 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.440 -2.523 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.547 -2.297 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.016 -3.933 -2.368 1.00 0.00 H new ATOM 936 N ALA A 62 2.895 -5.955 -1.571 1.00 0.00 N ATOM 937 CA ALA A 62 2.477 -7.270 -2.041 1.00 0.00 C ATOM 938 C ALA A 62 1.530 -7.933 -1.046 1.00 0.00 C ATOM 939 O ALA A 62 1.635 -7.747 0.167 1.00 0.00 O ATOM 940 CB ALA A 62 3.692 -8.154 -2.284 1.00 0.00 C ATOM 0 H ALA A 62 2.865 -5.840 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 62 1.942 -7.139 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.365 -9.133 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.332 -7.694 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.250 -8.269 -1.355 1.00 0.00 H new ATOM 946 N PRO A 63 0.581 -8.724 -1.568 1.00 0.00 N ATOM 947 CA PRO A 63 -0.404 -9.430 -0.743 1.00 0.00 C ATOM 948 C PRO A 63 0.224 -10.555 0.073 1.00 0.00 C ATOM 949 O PRO A 63 0.420 -11.663 -0.427 1.00 0.00 O ATOM 950 CB PRO A 63 -1.386 -9.998 -1.770 1.00 0.00 C ATOM 951 CG PRO A 63 -0.591 -10.125 -3.024 1.00 0.00 C ATOM 952 CD PRO A 63 0.397 -8.991 -3.004 1.00 0.00 C ATOM 0 HA PRO A 63 -0.868 -8.771 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.779 -10.963 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.241 -9.336 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.080 -11.087 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.235 -10.067 -3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.335 -9.267 -3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.015 -8.116 -3.530 1.00 0.00 H new ATOM 960 N VAL A 64 0.535 -10.264 1.332 1.00 0.00 N ATOM 961 CA VAL A 64 1.139 -11.252 2.218 1.00 0.00 C ATOM 962 C VAL A 64 0.131 -12.325 2.613 1.00 0.00 C ATOM 963 O VAL A 64 0.504 -13.397 3.090 1.00 0.00 O ATOM 964 CB VAL A 64 1.698 -10.595 3.494 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.695 -9.607 4.070 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.066 -11.654 4.522 1.00 0.00 C ATOM 0 H VAL A 64 0.379 -9.352 1.761 1.00 0.00 H new ATOM 0 HA VAL A 64 1.959 -11.712 1.666 1.00 0.00 H new ATOM 0 HB VAL A 64 2.603 -10.046 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.108 -9.153 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.487 -8.830 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.229 -10.129 4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.459 -11.171 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.180 -12.233 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.823 -12.318 4.105 1.00 0.00 H new ATOM 976 N SER A 65 -1.149 -12.030 2.410 1.00 0.00 N ATOM 977 CA SER A 65 -2.213 -12.969 2.748 1.00 0.00 C ATOM 978 C SER A 65 -1.988 -14.313 2.063 1.00 0.00 C ATOM 979 O SER A 65 -2.546 -15.331 2.471 1.00 0.00 O ATOM 980 CB SER A 65 -3.573 -12.398 2.343 1.00 0.00 C ATOM 981 OG SER A 65 -3.905 -12.764 1.014 1.00 0.00 O ATOM 0 H SER A 65 -1.475 -11.149 2.013 1.00 0.00 H new ATOM 0 HA SER A 65 -2.199 -13.124 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.341 -12.761 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.556 -11.312 2.431 1.00 0.00 H new ATOM 0 HG SER A 65 -4.779 -12.388 0.780 1.00 0.00 H new ATOM 987 N GLY A 66 -1.167 -14.308 1.017 1.00 0.00 N ATOM 988 CA GLY A 66 -0.882 -15.532 0.291 1.00 0.00 C ATOM 989 C GLY A 66 -0.674 -16.718 1.213 1.00 0.00 C ATOM 990 O GLY A 66 -0.152 -16.587 2.320 1.00 0.00 O ATOM 0 H GLY A 66 -0.694 -13.478 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.705 -15.746 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.010 -15.390 -0.320 1.00 0.00 H new ATOM 994 N PRO A 67 -1.092 -17.908 0.756 1.00 0.00 N ATOM 995 CA PRO A 67 -0.960 -19.144 1.532 1.00 0.00 C ATOM 996 C PRO A 67 0.491 -19.594 1.664 1.00 0.00 C ATOM 997 O PRO A 67 1.142 -19.922 0.672 1.00 0.00 O ATOM 998 CB PRO A 67 -1.763 -20.162 0.717 1.00 0.00 C ATOM 999 CG PRO A 67 -1.736 -19.636 -0.677 1.00 0.00 C ATOM 1000 CD PRO A 67 -1.723 -18.138 -0.555 1.00 0.00 C ATOM 0 HA PRO A 67 -1.314 -19.022 2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.317 -21.155 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.784 -20.249 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.855 -19.992 -1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.607 -19.974 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.155 -17.674 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.730 -17.723 -0.595 1.00 0.00 H new ATOM 1008 N SER A 68 0.992 -19.607 2.895 1.00 0.00 N ATOM 1009 CA SER A 68 2.368 -20.013 3.157 1.00 0.00 C ATOM 1010 C SER A 68 2.455 -20.850 4.430 1.00 0.00 C ATOM 1011 O SER A 68 2.283 -20.337 5.535 1.00 0.00 O ATOM 1012 CB SER A 68 3.271 -18.784 3.279 1.00 0.00 C ATOM 1013 OG SER A 68 4.639 -19.147 3.213 1.00 0.00 O ATOM 0 H SER A 68 0.465 -19.341 3.727 1.00 0.00 H new ATOM 0 HA SER A 68 2.706 -20.622 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.040 -18.079 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.072 -18.275 4.222 1.00 0.00 H new ATOM 0 HG SER A 68 5.195 -18.344 3.292 1.00 0.00 H new ATOM 1019 N SER A 69 2.722 -22.141 4.264 1.00 0.00 N ATOM 1020 CA SER A 69 2.829 -23.051 5.398 1.00 0.00 C ATOM 1021 C SER A 69 3.917 -22.592 6.363 1.00 0.00 C ATOM 1022 O SER A 69 3.729 -22.600 7.579 1.00 0.00 O ATOM 1023 CB SER A 69 3.126 -24.471 4.914 1.00 0.00 C ATOM 1024 OG SER A 69 3.094 -25.394 5.989 1.00 0.00 O ATOM 0 H SER A 69 2.868 -22.580 3.355 1.00 0.00 H new ATOM 0 HA SER A 69 1.875 -23.047 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.395 -24.762 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.105 -24.498 4.436 1.00 0.00 H new ATOM 0 HG SER A 69 3.285 -26.294 5.653 1.00 0.00 H new ATOM 1030 N GLY A 70 5.059 -22.192 5.811 1.00 0.00 N ATOM 1031 CA GLY A 70 6.162 -21.735 6.636 1.00 0.00 C ATOM 1032 C GLY A 70 6.192 -20.226 6.780 1.00 0.00 C ATOM 1033 O GLY A 70 6.096 -19.700 7.888 1.00 0.00 O ATOM 0 H GLY A 70 5.240 -22.176 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.086 -22.190 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.102 -22.074 6.201 1.00 0.00 H new TER 1037 GLY A 70