USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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+ 134:sc= 0.0221 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.427 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= 0.945 F(o=-0.3,f=0.94) USER MOD Single : A 17 CYS SG : rot -101:sc= 0.272 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0166 (180deg=-0.185) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 135:sc= 0.828 (180deg=-0.31) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 25 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.14) USER MOD Single : A 27 TYR OH : rot 36:sc= -0.472! USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -0.203 (180deg=-0.973) USER MOD Single : A 37 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.13 F(o=-1.9!,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.42) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 80:sc= 1.12 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0313 F(o=-0.6,f=-0.031) USER MOD Single : A 88 SER OG : rot 27:sc= 0.919 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc= -0.188 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.004 (180deg=-0.114) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 106 GLN : amide:sc=-0.00356 K(o=-0.0036,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -1.15 X(o=-1.1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.428 -14.754 21.460 1.00 0.00 N ATOM 2 CA GLY A 1 -17.671 -13.372 21.829 1.00 0.00 C ATOM 3 C GLY A 1 -18.300 -12.574 20.704 1.00 0.00 C ATOM 4 O GLY A 1 -18.005 -12.802 19.531 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.470 -15.029 21.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.125 -15.367 21.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.515 -14.859 20.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.324 -13.341 22.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.729 -12.906 22.119 1.00 0.00 H new ATOM 8 N SER A 2 -19.171 -11.635 21.062 1.00 0.00 N ATOM 9 CA SER A 2 -19.848 -10.804 20.073 1.00 0.00 C ATOM 10 C SER A 2 -20.352 -11.649 18.907 1.00 0.00 C ATOM 11 O SER A 2 -20.261 -11.244 17.748 1.00 0.00 O ATOM 12 CB SER A 2 -18.904 -9.716 19.559 1.00 0.00 C ATOM 13 OG SER A 2 -17.697 -10.276 19.071 1.00 0.00 O ATOM 0 H SER A 2 -19.424 -11.431 22.029 1.00 0.00 H new ATOM 0 HA SER A 2 -20.705 -10.334 20.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.393 -9.151 18.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.684 -9.013 20.362 1.00 0.00 H new ATOM 0 HG SER A 2 -17.847 -11.213 18.826 1.00 0.00 H new ATOM 19 N SER A 3 -20.884 -12.825 19.223 1.00 0.00 N ATOM 20 CA SER A 3 -21.400 -13.730 18.203 1.00 0.00 C ATOM 21 C SER A 3 -22.824 -13.350 17.809 1.00 0.00 C ATOM 22 O SER A 3 -23.660 -13.059 18.664 1.00 0.00 O ATOM 23 CB SER A 3 -21.366 -15.174 18.707 1.00 0.00 C ATOM 24 OG SER A 3 -21.728 -16.081 17.680 1.00 0.00 O ATOM 0 H SER A 3 -20.969 -13.174 20.178 1.00 0.00 H new ATOM 0 HA SER A 3 -20.763 -13.645 17.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.367 -15.412 19.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.047 -15.284 19.551 1.00 0.00 H new ATOM 0 HG SER A 3 -21.697 -16.997 18.027 1.00 0.00 H new ATOM 30 N GLY A 4 -23.093 -13.354 16.507 1.00 0.00 N ATOM 31 CA GLY A 4 -24.416 -13.008 16.021 1.00 0.00 C ATOM 32 C GLY A 4 -24.461 -12.864 14.513 1.00 0.00 C ATOM 33 O GLY A 4 -25.314 -13.454 13.851 1.00 0.00 O ATOM 0 H GLY A 4 -22.418 -13.591 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.125 -13.775 16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.736 -12.073 16.482 1.00 0.00 H new ATOM 37 N SER A 5 -23.540 -12.075 13.968 1.00 0.00 N ATOM 38 CA SER A 5 -23.481 -11.850 12.529 1.00 0.00 C ATOM 39 C SER A 5 -23.332 -13.170 11.778 1.00 0.00 C ATOM 40 O SER A 5 -23.179 -14.229 12.387 1.00 0.00 O ATOM 41 CB SER A 5 -22.316 -10.920 12.184 1.00 0.00 C ATOM 42 OG SER A 5 -22.368 -9.731 12.954 1.00 0.00 O ATOM 0 H SER A 5 -22.825 -11.581 14.502 1.00 0.00 H new ATOM 0 HA SER A 5 -24.415 -11.380 12.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.371 -11.433 12.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.346 -10.672 11.123 1.00 0.00 H new ATOM 0 HG SER A 5 -21.612 -9.154 12.716 1.00 0.00 H new ATOM 48 N SER A 6 -23.377 -13.098 10.452 1.00 0.00 N ATOM 49 CA SER A 6 -23.251 -14.286 9.617 1.00 0.00 C ATOM 50 C SER A 6 -22.125 -14.119 8.600 1.00 0.00 C ATOM 51 O SER A 6 -22.137 -13.193 7.791 1.00 0.00 O ATOM 52 CB SER A 6 -24.569 -14.569 8.893 1.00 0.00 C ATOM 53 OG SER A 6 -24.449 -15.691 8.035 1.00 0.00 O ATOM 0 H SER A 6 -23.500 -12.229 9.933 1.00 0.00 H new ATOM 0 HA SER A 6 -23.011 -15.130 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.358 -14.749 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.864 -13.694 8.314 1.00 0.00 H new ATOM 0 HG SER A 6 -25.305 -15.852 7.585 1.00 0.00 H new ATOM 59 N GLY A 7 -21.153 -15.025 8.649 1.00 0.00 N ATOM 60 CA GLY A 7 -20.033 -14.961 7.728 1.00 0.00 C ATOM 61 C GLY A 7 -19.463 -16.330 7.413 1.00 0.00 C ATOM 62 O GLY A 7 -19.987 -17.347 7.865 1.00 0.00 O ATOM 0 H GLY A 7 -21.121 -15.802 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.354 -14.483 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.250 -14.334 8.156 1.00 0.00 H new ATOM 66 N MET A 8 -18.387 -16.356 6.634 1.00 0.00 N ATOM 67 CA MET A 8 -17.745 -17.611 6.258 1.00 0.00 C ATOM 68 C MET A 8 -16.242 -17.548 6.507 1.00 0.00 C ATOM 69 O MET A 8 -15.659 -18.469 7.079 1.00 0.00 O ATOM 70 CB MET A 8 -18.018 -17.927 4.786 1.00 0.00 C ATOM 71 CG MET A 8 -17.338 -19.197 4.302 1.00 0.00 C ATOM 72 SD MET A 8 -17.171 -19.254 2.507 1.00 0.00 S ATOM 73 CE MET A 8 -15.401 -19.049 2.326 1.00 0.00 C ATOM 0 H MET A 8 -17.941 -15.523 6.251 1.00 0.00 H new ATOM 0 HA MET A 8 -18.164 -18.405 6.876 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.094 -18.021 4.636 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.683 -17.089 4.175 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.351 -19.272 4.758 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.911 -20.062 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.139 -19.063 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.099 -18.097 2.762 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.886 -19.862 2.838 1.00 0.00 H new ATOM 83 N ALA A 9 -15.619 -16.457 6.073 1.00 0.00 N ATOM 84 CA ALA A 9 -14.184 -16.275 6.250 1.00 0.00 C ATOM 85 C ALA A 9 -13.879 -14.939 6.919 1.00 0.00 C ATOM 86 O ALA A 9 -14.467 -13.914 6.576 1.00 0.00 O ATOM 87 CB ALA A 9 -13.470 -16.372 4.910 1.00 0.00 C ATOM 0 H ALA A 9 -16.086 -15.686 5.596 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.819 -17.069 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.399 -16.234 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.652 -17.353 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.846 -15.599 4.240 1.00 0.00 H new ATOM 93 N SER A 10 -12.956 -14.958 7.875 1.00 0.00 N ATOM 94 CA SER A 10 -12.576 -13.748 8.595 1.00 0.00 C ATOM 95 C SER A 10 -11.769 -12.814 7.699 1.00 0.00 C ATOM 96 O SER A 10 -11.403 -13.170 6.579 1.00 0.00 O ATOM 97 CB SER A 10 -11.764 -14.105 9.842 1.00 0.00 C ATOM 98 OG SER A 10 -10.524 -14.694 9.491 1.00 0.00 O ATOM 0 H SER A 10 -12.457 -15.798 8.169 1.00 0.00 H new ATOM 0 HA SER A 10 -13.488 -13.234 8.899 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.589 -13.207 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.334 -14.794 10.466 1.00 0.00 H new ATOM 0 HG SER A 10 -10.023 -14.911 10.305 1.00 0.00 H new ATOM 104 N THR A 11 -11.494 -11.614 8.201 1.00 0.00 N ATOM 105 CA THR A 11 -10.732 -10.626 7.448 1.00 0.00 C ATOM 106 C THR A 11 -9.939 -9.716 8.379 1.00 0.00 C ATOM 107 O THR A 11 -10.397 -9.378 9.471 1.00 0.00 O ATOM 108 CB THR A 11 -11.651 -9.762 6.564 1.00 0.00 C ATOM 109 OG1 THR A 11 -10.873 -8.806 5.836 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.692 -9.041 7.407 1.00 0.00 C ATOM 0 H THR A 11 -11.788 -11.303 9.127 1.00 0.00 H new ATOM 0 HA THR A 11 -10.042 -11.179 6.811 1.00 0.00 H new ATOM 0 HB THR A 11 -12.166 -10.419 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.464 -8.262 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.329 -8.437 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.302 -9.773 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.192 -8.395 8.129 1.00 0.00 H new ATOM 118 N PHE A 12 -8.749 -9.321 7.941 1.00 0.00 N ATOM 119 CA PHE A 12 -7.892 -8.449 8.736 1.00 0.00 C ATOM 120 C PHE A 12 -8.365 -7.001 8.655 1.00 0.00 C ATOM 121 O PHE A 12 -9.160 -6.644 7.787 1.00 0.00 O ATOM 122 CB PHE A 12 -6.442 -8.551 8.259 1.00 0.00 C ATOM 123 CG PHE A 12 -5.783 -9.853 8.615 1.00 0.00 C ATOM 124 CD1 PHE A 12 -6.131 -11.022 7.958 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.816 -9.908 9.605 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.528 -12.222 8.284 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.209 -11.104 9.936 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.564 -12.263 9.273 1.00 0.00 C ATOM 0 H PHE A 12 -8.356 -9.591 7.039 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.949 -8.774 9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.414 -8.423 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.867 -7.732 8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.882 -10.995 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.533 -9.005 10.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.810 -13.127 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.458 -11.133 10.712 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.089 -13.199 9.527 1.00 0.00 H new ATOM 138 N ASN A 13 -7.871 -6.171 9.568 1.00 0.00 N ATOM 139 CA ASN A 13 -8.244 -4.762 9.602 1.00 0.00 C ATOM 140 C ASN A 13 -7.034 -3.872 9.330 1.00 0.00 C ATOM 141 O ASN A 13 -6.338 -3.432 10.245 1.00 0.00 O ATOM 142 CB ASN A 13 -8.857 -4.407 10.958 1.00 0.00 C ATOM 143 CG ASN A 13 -8.173 -5.124 12.107 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.958 -5.827 12.916 1.00 0.00 O flip ATOM 145 ND2 ASN A 13 -6.955 -5.047 12.264 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.211 -6.450 10.294 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.984 -4.589 8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.790 -3.330 11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.917 -4.663 10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.391 -4.495 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.509 -5.535 13.041 1.00 0.00 H new ATOM 152 N PRO A 14 -6.777 -3.600 8.042 1.00 0.00 N ATOM 153 CA PRO A 14 -5.653 -2.760 7.619 1.00 0.00 C ATOM 154 C PRO A 14 -5.852 -1.295 7.991 1.00 0.00 C ATOM 155 O PRO A 14 -6.942 -0.890 8.394 1.00 0.00 O ATOM 156 CB PRO A 14 -5.636 -2.929 6.098 1.00 0.00 C ATOM 157 CG PRO A 14 -7.037 -3.290 5.742 1.00 0.00 C ATOM 158 CD PRO A 14 -7.565 -4.091 6.899 1.00 0.00 C ATOM 0 HA PRO A 14 -4.721 -3.052 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.325 -2.010 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.937 -3.708 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.640 -2.397 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.068 -3.870 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.632 -3.927 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.425 -5.161 6.744 1.00 0.00 H new ATOM 166 N ARG A 15 -4.792 -0.505 7.851 1.00 0.00 N ATOM 167 CA ARG A 15 -4.851 0.916 8.173 1.00 0.00 C ATOM 168 C ARG A 15 -4.896 1.760 6.903 1.00 0.00 C ATOM 169 O ARG A 15 -4.138 1.524 5.963 1.00 0.00 O ATOM 170 CB ARG A 15 -3.645 1.319 9.023 1.00 0.00 C ATOM 171 CG ARG A 15 -3.655 2.780 9.442 1.00 0.00 C ATOM 172 CD ARG A 15 -2.297 3.218 9.968 1.00 0.00 C ATOM 173 NE ARG A 15 -1.856 2.399 11.094 1.00 0.00 N ATOM 174 CZ ARG A 15 -0.916 2.775 11.953 1.00 0.00 C ATOM 175 NH1 ARG A 15 -0.320 3.952 11.816 1.00 0.00 N ATOM 176 NH2 ARG A 15 -0.569 1.974 12.952 1.00 0.00 N ATOM 0 H ARG A 15 -3.883 -0.825 7.517 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.764 1.096 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.616 0.694 9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.732 1.117 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.935 3.402 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.411 2.934 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.561 3.158 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.347 4.262 10.277 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.294 1.488 11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.583 4.571 11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.402 4.238 12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.025 1.068 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.153 2.264 13.611 1.00 0.00 H new ATOM 190 N GLU A 16 -5.791 2.743 6.883 1.00 0.00 N ATOM 191 CA GLU A 16 -5.935 3.620 5.727 1.00 0.00 C ATOM 192 C GLU A 16 -5.198 4.938 5.949 1.00 0.00 C ATOM 193 O GLU A 16 -5.476 5.664 6.904 1.00 0.00 O ATOM 194 CB GLU A 16 -7.414 3.892 5.446 1.00 0.00 C ATOM 195 CG GLU A 16 -7.682 4.414 4.045 1.00 0.00 C ATOM 196 CD GLU A 16 -9.128 4.237 3.622 1.00 0.00 C ATOM 197 OE1 GLU A 16 -10.004 4.196 4.511 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.382 4.139 2.404 1.00 0.00 O ATOM 0 H GLU A 16 -6.426 2.952 7.653 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.495 3.118 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.979 2.972 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.786 4.616 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.421 5.471 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.035 3.895 3.338 1.00 0.00 H new ATOM 205 N CYS A 17 -4.257 5.239 5.061 1.00 0.00 N ATOM 206 CA CYS A 17 -3.478 6.468 5.159 1.00 0.00 C ATOM 207 C CYS A 17 -3.864 7.446 4.054 1.00 0.00 C ATOM 208 O CYS A 17 -4.183 7.042 2.936 1.00 0.00 O ATOM 209 CB CYS A 17 -1.983 6.157 5.083 1.00 0.00 C ATOM 210 SG CYS A 17 -1.387 5.072 6.400 1.00 0.00 S ATOM 0 H CYS A 17 -4.015 4.649 4.265 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.696 6.931 6.121 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.768 5.694 4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.426 7.093 5.118 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.797 5.783 7.314 1.00 0.00 H new ATOM 216 N LYS A 18 -3.833 8.735 4.375 1.00 0.00 N ATOM 217 CA LYS A 18 -4.179 9.773 3.410 1.00 0.00 C ATOM 218 C LYS A 18 -2.995 10.703 3.163 1.00 0.00 C ATOM 219 O LYS A 18 -2.482 11.331 4.090 1.00 0.00 O ATOM 220 CB LYS A 18 -5.380 10.580 3.908 1.00 0.00 C ATOM 221 CG LYS A 18 -6.718 9.923 3.615 1.00 0.00 C ATOM 222 CD LYS A 18 -7.089 10.044 2.147 1.00 0.00 C ATOM 223 CE LYS A 18 -8.506 9.554 1.888 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.524 10.449 2.503 1.00 0.00 N ATOM 0 H LYS A 18 -3.572 9.086 5.296 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.439 9.288 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.286 10.729 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.361 11.567 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.677 8.870 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.493 10.385 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.999 11.084 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.387 9.467 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.678 9.493 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.620 8.546 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.460 10.237 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.545 10.296 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.279 11.440 2.306 1.00 0.00 H new ATOM 238 N LEU A 19 -2.567 10.787 1.909 1.00 0.00 N ATOM 239 CA LEU A 19 -1.445 11.643 1.539 1.00 0.00 C ATOM 240 C LEU A 19 -1.922 12.855 0.746 1.00 0.00 C ATOM 241 O LEU A 19 -2.844 12.756 -0.063 1.00 0.00 O ATOM 242 CB LEU A 19 -0.424 10.852 0.719 1.00 0.00 C ATOM 243 CG LEU A 19 0.659 10.124 1.517 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.186 8.736 1.917 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.948 10.039 0.712 1.00 0.00 C ATOM 0 H LEU A 19 -2.980 10.273 1.131 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.972 11.996 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.961 10.117 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.063 11.536 0.024 1.00 0.00 H new ATOM 0 HG LEU A 19 0.858 10.693 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.970 8.234 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.710 8.820 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.042 8.157 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.707 9.518 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.764 9.494 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.297 11.044 0.477 1.00 0.00 H new ATOM 257 N SER A 20 -1.286 13.998 0.983 1.00 0.00 N ATOM 258 CA SER A 20 -1.646 15.230 0.291 1.00 0.00 C ATOM 259 C SER A 20 -0.399 16.019 -0.099 1.00 0.00 C ATOM 260 O SER A 20 0.521 16.185 0.702 1.00 0.00 O ATOM 261 CB SER A 20 -2.551 16.090 1.176 1.00 0.00 C ATOM 262 OG SER A 20 -1.811 16.710 2.213 1.00 0.00 O ATOM 0 H SER A 20 -0.519 14.096 1.649 1.00 0.00 H new ATOM 0 HA SER A 20 -2.185 14.963 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.041 16.852 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.338 15.471 1.607 1.00 0.00 H new ATOM 0 HG SER A 20 -2.412 17.255 2.763 1.00 0.00 H new ATOM 268 N LYS A 21 -0.377 16.504 -1.336 1.00 0.00 N ATOM 269 CA LYS A 21 0.755 17.276 -1.834 1.00 0.00 C ATOM 270 C LYS A 21 0.293 18.339 -2.826 1.00 0.00 C ATOM 271 O LYS A 21 -0.892 18.429 -3.146 1.00 0.00 O ATOM 272 CB LYS A 21 1.777 16.352 -2.500 1.00 0.00 C ATOM 273 CG LYS A 21 1.355 15.872 -3.878 1.00 0.00 C ATOM 274 CD LYS A 21 2.548 15.397 -4.692 1.00 0.00 C ATOM 275 CE LYS A 21 2.172 15.163 -6.147 1.00 0.00 C ATOM 276 NZ LYS A 21 1.783 16.428 -6.830 1.00 0.00 N ATOM 0 H LYS A 21 -1.130 16.376 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 21 1.224 17.774 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.729 16.877 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.945 15.487 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.635 15.059 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.851 16.680 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.346 16.137 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.938 14.474 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.014 14.711 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.346 14.453 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.240 16.473 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.750 16.455 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.087 17.240 -6.256 1.00 0.00 H new ATOM 290 N GLN A 22 1.237 19.140 -3.311 1.00 0.00 N ATOM 291 CA GLN A 22 0.925 20.195 -4.267 1.00 0.00 C ATOM 292 C GLN A 22 1.370 19.805 -5.673 1.00 0.00 C ATOM 293 O GLN A 22 2.337 19.064 -5.844 1.00 0.00 O ATOM 294 CB GLN A 22 1.599 21.504 -3.852 1.00 0.00 C ATOM 295 CG GLN A 22 1.000 22.126 -2.600 1.00 0.00 C ATOM 296 CD GLN A 22 1.715 23.395 -2.179 1.00 0.00 C ATOM 297 OE1 GLN A 22 2.886 23.598 -2.503 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.013 24.257 -1.453 1.00 0.00 N ATOM 0 H GLN A 22 2.223 19.078 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.156 20.336 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.660 21.319 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.525 22.217 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.052 22.348 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.040 21.403 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.045 24.048 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.441 25.128 -1.141 1.00 0.00 H new ATOM 307 N GLU A 23 0.657 20.308 -6.675 1.00 0.00 N ATOM 308 CA GLU A 23 0.978 20.010 -8.066 1.00 0.00 C ATOM 309 C GLU A 23 2.409 20.428 -8.395 1.00 0.00 C ATOM 310 O GLU A 23 2.720 21.616 -8.464 1.00 0.00 O ATOM 311 CB GLU A 23 -0.001 20.721 -9.003 1.00 0.00 C ATOM 312 CG GLU A 23 -1.234 19.897 -9.334 1.00 0.00 C ATOM 313 CD GLU A 23 -2.444 20.757 -9.640 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.924 21.456 -8.724 1.00 0.00 O ATOM 315 OE2 GLU A 23 -2.912 20.730 -10.798 1.00 0.00 O ATOM 0 H GLU A 23 -0.147 20.924 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 23 0.889 18.933 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.314 21.659 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.515 20.975 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.020 19.258 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.463 19.239 -8.496 1.00 0.00 H new ATOM 322 N GLY A 24 3.276 19.440 -8.597 1.00 0.00 N ATOM 323 CA GLY A 24 4.663 19.724 -8.915 1.00 0.00 C ATOM 324 C GLY A 24 5.620 19.190 -7.868 1.00 0.00 C ATOM 325 O GLY A 24 6.711 18.725 -8.195 1.00 0.00 O ATOM 0 H GLY A 24 3.042 18.448 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.907 19.286 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.797 20.802 -9.009 1.00 0.00 H new ATOM 329 N GLN A 25 5.210 19.258 -6.605 1.00 0.00 N ATOM 330 CA GLN A 25 6.041 18.779 -5.507 1.00 0.00 C ATOM 331 C GLN A 25 5.952 17.262 -5.378 1.00 0.00 C ATOM 332 O GLN A 25 5.178 16.614 -6.082 1.00 0.00 O ATOM 333 CB GLN A 25 5.617 19.440 -4.194 1.00 0.00 C ATOM 334 CG GLN A 25 6.327 20.756 -3.918 1.00 0.00 C ATOM 335 CD GLN A 25 7.812 20.578 -3.674 1.00 0.00 C ATOM 336 OE1 GLN A 25 8.601 20.479 -4.614 1.00 0.00 O ATOM 337 NE2 GLN A 25 8.203 20.536 -2.405 1.00 0.00 N ATOM 0 H GLN A 25 4.309 19.640 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 25 7.075 19.046 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.541 19.615 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.812 18.752 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.180 21.428 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.875 21.233 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.516 20.622 -1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.191 20.418 -2.179 1.00 0.00 H new ATOM 346 N ASN A 26 6.749 16.702 -4.474 1.00 0.00 N ATOM 347 CA ASN A 26 6.761 15.260 -4.254 1.00 0.00 C ATOM 348 C ASN A 26 6.040 14.902 -2.958 1.00 0.00 C ATOM 349 O ASN A 26 5.693 15.778 -2.166 1.00 0.00 O ATOM 350 CB ASN A 26 8.199 14.741 -4.211 1.00 0.00 C ATOM 351 CG ASN A 26 9.100 15.605 -3.350 1.00 0.00 C ATOM 352 OD1 ASN A 26 9.302 15.326 -2.169 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.646 16.662 -3.941 1.00 0.00 N ATOM 0 H ASN A 26 7.395 17.224 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 26 6.236 14.787 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.203 13.721 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.599 14.701 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.261 17.281 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.450 16.855 -4.923 1.00 0.00 H new ATOM 360 N TYR A 27 5.820 13.609 -2.748 1.00 0.00 N ATOM 361 CA TYR A 27 5.139 13.134 -1.549 1.00 0.00 C ATOM 362 C TYR A 27 6.137 12.873 -0.424 1.00 0.00 C ATOM 363 O TYR A 27 5.787 12.921 0.755 1.00 0.00 O ATOM 364 CB TYR A 27 4.352 11.859 -1.855 1.00 0.00 C ATOM 365 CG TYR A 27 2.931 12.117 -2.302 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.009 12.709 -1.447 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.510 11.770 -3.580 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.710 12.946 -1.851 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.213 12.005 -3.993 1.00 0.00 C ATOM 370 CZ TYR A 27 0.317 12.592 -3.125 1.00 0.00 C ATOM 371 OH TYR A 27 -0.977 12.828 -3.532 1.00 0.00 O ATOM 0 H TYR A 27 6.103 12.871 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 27 4.446 13.910 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.872 11.299 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.335 11.230 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.314 12.989 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.209 11.309 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.006 13.406 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.903 11.730 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.295 13.668 -3.140 1.00 0.00 H new ATOM 381 N GLY A 28 7.382 12.595 -0.799 1.00 0.00 N ATOM 382 CA GLY A 28 8.412 12.330 0.188 1.00 0.00 C ATOM 383 C GLY A 28 8.776 10.860 0.267 1.00 0.00 C ATOM 384 O GLY A 28 9.874 10.507 0.698 1.00 0.00 O ATOM 0 H GLY A 28 7.695 12.549 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.303 12.909 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.070 12.669 1.166 1.00 0.00 H new ATOM 388 N PHE A 29 7.852 10.001 -0.149 1.00 0.00 N ATOM 389 CA PHE A 29 8.080 8.561 -0.122 1.00 0.00 C ATOM 390 C PHE A 29 8.226 8.006 -1.536 1.00 0.00 C ATOM 391 O PHE A 29 7.742 8.599 -2.501 1.00 0.00 O ATOM 392 CB PHE A 29 6.929 7.855 0.598 1.00 0.00 C ATOM 393 CG PHE A 29 5.787 7.493 -0.308 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.849 8.445 -0.675 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.650 6.202 -0.791 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.797 8.116 -1.509 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.600 5.867 -1.625 1.00 0.00 C ATOM 398 CZ PHE A 29 3.672 6.825 -1.984 1.00 0.00 C ATOM 0 H PHE A 29 6.938 10.277 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 29 9.008 8.376 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.308 6.949 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.559 8.500 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.941 9.455 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.372 5.449 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.074 8.867 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.505 4.857 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.850 6.565 -2.635 1.00 0.00 H new ATOM 408 N PHE A 30 8.898 6.866 -1.651 1.00 0.00 N ATOM 409 CA PHE A 30 9.111 6.231 -2.947 1.00 0.00 C ATOM 410 C PHE A 30 8.904 4.722 -2.854 1.00 0.00 C ATOM 411 O PHE A 30 9.395 4.073 -1.929 1.00 0.00 O ATOM 412 CB PHE A 30 10.519 6.534 -3.462 1.00 0.00 C ATOM 413 CG PHE A 30 10.772 7.996 -3.693 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.191 8.652 -4.766 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.590 8.715 -2.836 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.421 9.998 -4.981 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.824 10.061 -3.046 1.00 0.00 C ATOM 418 CZ PHE A 30 11.239 10.703 -4.120 1.00 0.00 C ATOM 0 H PHE A 30 9.305 6.362 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 30 8.381 6.637 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.248 6.156 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.680 5.994 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.551 8.105 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.050 8.218 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.962 10.498 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.464 10.610 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.421 11.755 -4.286 1.00 0.00 H new ATOM 428 N LEU A 31 8.174 4.170 -3.817 1.00 0.00 N ATOM 429 CA LEU A 31 7.901 2.737 -3.844 1.00 0.00 C ATOM 430 C LEU A 31 9.115 1.961 -4.345 1.00 0.00 C ATOM 431 O LEU A 31 9.580 2.171 -5.465 1.00 0.00 O ATOM 432 CB LEU A 31 6.693 2.446 -4.735 1.00 0.00 C ATOM 433 CG LEU A 31 5.332 2.866 -4.179 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.307 2.969 -5.298 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.865 1.884 -3.114 1.00 0.00 C ATOM 0 H LEU A 31 7.761 4.693 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 31 7.681 2.414 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.843 2.947 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.666 1.375 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 31 5.436 3.848 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.345 3.269 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.636 3.711 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.205 2.001 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.895 2.199 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.777 0.889 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.588 1.860 -2.299 1.00 0.00 H new ATOM 447 N ARG A 32 9.623 1.063 -3.507 1.00 0.00 N ATOM 448 CA ARG A 32 10.783 0.255 -3.865 1.00 0.00 C ATOM 449 C ARG A 32 10.426 -1.229 -3.887 1.00 0.00 C ATOM 450 O ARG A 32 9.479 -1.659 -3.227 1.00 0.00 O ATOM 451 CB ARG A 32 11.926 0.501 -2.880 1.00 0.00 C ATOM 452 CG ARG A 32 12.455 1.926 -2.903 1.00 0.00 C ATOM 453 CD ARG A 32 13.261 2.200 -4.163 1.00 0.00 C ATOM 454 NE ARG A 32 13.311 3.625 -4.481 1.00 0.00 N ATOM 455 CZ ARG A 32 14.181 4.469 -3.938 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.069 4.033 -3.055 1.00 0.00 N ATOM 457 NH2 ARG A 32 14.164 5.751 -4.278 1.00 0.00 N ATOM 0 H ARG A 32 9.250 0.877 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 32 11.105 0.549 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.583 0.266 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.743 -0.184 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.621 2.626 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.079 2.098 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.275 1.821 -4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.822 1.657 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 32 12.641 3.992 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.085 3.048 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.736 4.683 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.482 6.090 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.833 6.398 -3.860 1.00 0.00 H new ATOM 471 N ILE A 33 11.188 -2.004 -4.650 1.00 0.00 N ATOM 472 CA ILE A 33 10.953 -3.439 -4.756 1.00 0.00 C ATOM 473 C ILE A 33 12.149 -4.232 -4.243 1.00 0.00 C ATOM 474 O ILE A 33 13.274 -3.734 -4.222 1.00 0.00 O ATOM 475 CB ILE A 33 10.661 -3.855 -6.210 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.846 -3.504 -7.112 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.392 -3.180 -6.709 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.822 -4.217 -8.446 1.00 0.00 C ATOM 0 H ILE A 33 11.974 -1.663 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 33 10.082 -3.662 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 33 10.512 -4.934 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.855 -2.428 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.772 -3.751 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.199 -3.484 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.552 -3.474 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.515 -2.098 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.691 -3.920 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.845 -5.295 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.913 -3.951 -8.985 1.00 0.00 H new ATOM 490 N GLU A 34 11.898 -5.471 -3.831 1.00 0.00 N ATOM 491 CA GLU A 34 12.956 -6.334 -3.319 1.00 0.00 C ATOM 492 C GLU A 34 12.902 -7.710 -3.976 1.00 0.00 C ATOM 493 O GLU A 34 11.833 -8.187 -4.358 1.00 0.00 O ATOM 494 CB GLU A 34 12.837 -6.477 -1.800 1.00 0.00 C ATOM 495 CG GLU A 34 13.166 -5.203 -1.041 1.00 0.00 C ATOM 496 CD GLU A 34 13.576 -5.468 0.395 1.00 0.00 C ATOM 497 OE1 GLU A 34 13.116 -6.479 0.965 1.00 0.00 O ATOM 498 OE2 GLU A 34 14.357 -4.665 0.948 1.00 0.00 O ATOM 0 H GLU A 34 10.972 -5.899 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 34 13.914 -5.873 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.822 -6.786 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.503 -7.272 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.971 -4.677 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.298 -4.544 -1.051 1.00 0.00 H new ATOM 505 N LYS A 35 14.062 -8.344 -4.104 1.00 0.00 N ATOM 506 CA LYS A 35 14.150 -9.666 -4.714 1.00 0.00 C ATOM 507 C LYS A 35 13.397 -10.699 -3.882 1.00 0.00 C ATOM 508 O LYS A 35 13.402 -10.643 -2.653 1.00 0.00 O ATOM 509 CB LYS A 35 15.614 -10.085 -4.865 1.00 0.00 C ATOM 510 CG LYS A 35 16.295 -9.485 -6.083 1.00 0.00 C ATOM 511 CD LYS A 35 16.150 -10.382 -7.301 1.00 0.00 C ATOM 512 CE LYS A 35 17.299 -11.374 -7.403 1.00 0.00 C ATOM 513 NZ LYS A 35 17.093 -12.554 -6.518 1.00 0.00 N ATOM 0 H LYS A 35 14.956 -7.963 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 35 13.690 -9.615 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.162 -9.790 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.668 -11.172 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.864 -8.507 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.352 -9.328 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.205 -10.923 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.115 -9.770 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.400 -11.708 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.232 -10.878 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.461 -13.407 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.597 -12.407 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.077 -12.673 -6.329 1.00 0.00 H new ATOM 527 N ASP A 36 12.753 -11.643 -4.561 1.00 0.00 N ATOM 528 CA ASP A 36 11.998 -12.691 -3.884 1.00 0.00 C ATOM 529 C ASP A 36 11.229 -12.125 -2.695 1.00 0.00 C ATOM 530 O ASP A 36 11.331 -12.631 -1.577 1.00 0.00 O ATOM 531 CB ASP A 36 12.937 -13.804 -3.417 1.00 0.00 C ATOM 532 CG ASP A 36 13.798 -14.345 -4.541 1.00 0.00 C ATOM 533 OD1 ASP A 36 14.858 -13.745 -4.818 1.00 0.00 O ATOM 534 OD2 ASP A 36 13.412 -15.368 -5.145 1.00 0.00 O ATOM 0 H ASP A 36 12.739 -11.704 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 36 11.281 -13.105 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.579 -13.424 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.349 -14.617 -2.991 1.00 0.00 H new ATOM 539 N THR A 37 10.458 -11.070 -2.943 1.00 0.00 N ATOM 540 CA THR A 37 9.673 -10.433 -1.893 1.00 0.00 C ATOM 541 C THR A 37 8.332 -9.945 -2.428 1.00 0.00 C ATOM 542 O THR A 37 8.245 -9.449 -3.552 1.00 0.00 O ATOM 543 CB THR A 37 10.428 -9.244 -1.269 1.00 0.00 C ATOM 544 OG1 THR A 37 11.758 -9.639 -0.916 1.00 0.00 O ATOM 545 CG2 THR A 37 9.702 -8.729 -0.036 1.00 0.00 C ATOM 0 H THR A 37 10.361 -10.639 -3.862 1.00 0.00 H new ATOM 0 HA THR A 37 9.502 -11.188 -1.125 1.00 0.00 H new ATOM 0 HB THR A 37 10.472 -8.442 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.302 -9.718 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.254 -7.890 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.700 -8.401 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.631 -9.526 0.704 1.00 0.00 H new ATOM 553 N ASP A 38 7.289 -10.088 -1.618 1.00 0.00 N ATOM 554 CA ASP A 38 5.952 -9.659 -2.010 1.00 0.00 C ATOM 555 C ASP A 38 5.658 -8.254 -1.494 1.00 0.00 C ATOM 556 O ASP A 38 6.397 -7.717 -0.670 1.00 0.00 O ATOM 557 CB ASP A 38 4.903 -10.639 -1.482 1.00 0.00 C ATOM 558 CG ASP A 38 4.711 -11.832 -2.398 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.726 -12.411 -2.838 1.00 0.00 O ATOM 560 OD2 ASP A 38 3.546 -12.186 -2.674 1.00 0.00 O ATOM 0 H ASP A 38 7.344 -10.498 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 38 5.908 -9.643 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.201 -10.988 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.952 -10.119 -1.363 1.00 0.00 H new ATOM 565 N GLY A 39 4.574 -7.662 -1.986 1.00 0.00 N ATOM 566 CA GLY A 39 4.203 -6.324 -1.564 1.00 0.00 C ATOM 567 C GLY A 39 5.286 -5.304 -1.853 1.00 0.00 C ATOM 568 O GLY A 39 6.443 -5.662 -2.073 1.00 0.00 O ATOM 0 H GLY A 39 3.946 -8.085 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.285 -6.028 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.989 -6.330 -0.495 1.00 0.00 H new ATOM 572 N HIS A 40 4.911 -4.029 -1.853 1.00 0.00 N ATOM 573 CA HIS A 40 5.859 -2.953 -2.118 1.00 0.00 C ATOM 574 C HIS A 40 6.398 -2.370 -0.815 1.00 0.00 C ATOM 575 O HIS A 40 5.631 -1.995 0.073 1.00 0.00 O ATOM 576 CB HIS A 40 5.196 -1.852 -2.946 1.00 0.00 C ATOM 577 CG HIS A 40 5.136 -2.159 -4.411 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.949 -1.548 -5.342 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.354 -3.020 -5.104 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.669 -2.018 -6.544 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.705 -2.913 -6.427 1.00 0.00 N ATOM 0 H HIS A 40 3.957 -3.716 -1.672 1.00 0.00 H new ATOM 0 HA HIS A 40 6.693 -3.369 -2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.184 -1.689 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.742 -0.920 -2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.596 -3.670 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.147 -1.721 -7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.289 -3.439 -7.195 1.00 0.00 H new ATOM 590 N LEU A 41 7.720 -2.299 -0.706 1.00 0.00 N ATOM 591 CA LEU A 41 8.362 -1.763 0.489 1.00 0.00 C ATOM 592 C LEU A 41 8.598 -0.262 0.354 1.00 0.00 C ATOM 593 O LEU A 41 9.212 0.195 -0.611 1.00 0.00 O ATOM 594 CB LEU A 41 9.689 -2.479 0.744 1.00 0.00 C ATOM 595 CG LEU A 41 9.615 -3.746 1.597 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.210 -4.939 0.745 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.948 -4.006 2.283 1.00 0.00 C ATOM 0 H LEU A 41 8.368 -2.606 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 41 7.697 -1.932 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.130 -2.738 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.370 -1.779 1.228 1.00 0.00 H new ATOM 0 HG LEU A 41 8.856 -3.600 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.162 -5.832 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.232 -4.754 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.945 -5.088 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.877 -4.911 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.726 -4.132 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.197 -3.161 2.925 1.00 0.00 H new ATOM 609 N ILE A 42 8.109 0.499 1.327 1.00 0.00 N ATOM 610 CA ILE A 42 8.271 1.948 1.317 1.00 0.00 C ATOM 611 C ILE A 42 9.540 2.364 2.053 1.00 0.00 C ATOM 612 O ILE A 42 9.730 2.029 3.222 1.00 0.00 O ATOM 613 CB ILE A 42 7.062 2.653 1.961 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.786 2.342 1.177 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.298 4.155 2.026 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.529 2.412 2.016 1.00 0.00 C ATOM 0 H ILE A 42 7.598 0.137 2.132 1.00 0.00 H new ATOM 0 HA ILE A 42 8.344 2.251 0.273 1.00 0.00 H new ATOM 0 HB ILE A 42 6.941 2.280 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.699 3.044 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.869 1.345 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.435 4.639 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.187 4.358 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.441 4.545 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.664 2.180 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.595 1.691 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.422 3.416 2.428 1.00 0.00 H new ATOM 628 N ARG A 43 10.405 3.099 1.361 1.00 0.00 N ATOM 629 CA ARG A 43 11.656 3.562 1.949 1.00 0.00 C ATOM 630 C ARG A 43 11.993 4.971 1.469 1.00 0.00 C ATOM 631 O ARG A 43 11.347 5.501 0.565 1.00 0.00 O ATOM 632 CB ARG A 43 12.795 2.605 1.596 1.00 0.00 C ATOM 633 CG ARG A 43 12.984 1.484 2.604 1.00 0.00 C ATOM 634 CD ARG A 43 14.287 0.736 2.368 1.00 0.00 C ATOM 635 NE ARG A 43 15.451 1.606 2.509 1.00 0.00 N ATOM 636 CZ ARG A 43 16.684 1.157 2.717 1.00 0.00 C ATOM 637 NH1 ARG A 43 16.912 -0.145 2.809 1.00 0.00 N ATOM 638 NH2 ARG A 43 17.692 2.013 2.834 1.00 0.00 N ATOM 0 H ARG A 43 10.262 3.386 0.393 1.00 0.00 H new ATOM 0 HA ARG A 43 11.533 3.585 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.602 2.171 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.723 3.172 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.977 1.896 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.147 0.789 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.364 -0.090 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.279 0.300 1.369 1.00 0.00 H new ATOM 0 HE ARG A 43 15.310 2.614 2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.140 -0.806 2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.860 -0.487 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.520 3.016 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.638 1.668 2.994 1.00 0.00 H new ATOM 652 N VAL A 44 13.008 5.572 2.081 1.00 0.00 N ATOM 653 CA VAL A 44 13.432 6.918 1.717 1.00 0.00 C ATOM 654 C VAL A 44 12.317 7.930 1.960 1.00 0.00 C ATOM 655 O VAL A 44 11.976 8.717 1.076 1.00 0.00 O ATOM 656 CB VAL A 44 13.863 6.991 0.240 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.733 8.214 -0.003 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.592 5.718 -0.165 1.00 0.00 C ATOM 0 H VAL A 44 13.552 5.147 2.832 1.00 0.00 H new ATOM 0 HA VAL A 44 14.286 7.163 2.349 1.00 0.00 H new ATOM 0 HB VAL A 44 12.969 7.083 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 44 15.028 8.248 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.172 9.115 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.624 8.157 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.889 5.786 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.478 5.593 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.931 4.862 -0.031 1.00 0.00 H new ATOM 668 N ILE A 45 11.754 7.903 3.163 1.00 0.00 N ATOM 669 CA ILE A 45 10.678 8.819 3.522 1.00 0.00 C ATOM 670 C ILE A 45 11.230 10.100 4.138 1.00 0.00 C ATOM 671 O ILE A 45 11.390 10.197 5.354 1.00 0.00 O ATOM 672 CB ILE A 45 9.694 8.170 4.513 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.191 6.833 3.964 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.527 9.107 4.791 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.567 5.944 5.017 1.00 0.00 C ATOM 0 H ILE A 45 12.025 7.258 3.905 1.00 0.00 H new ATOM 0 HA ILE A 45 10.148 9.060 2.601 1.00 0.00 H new ATOM 0 HB ILE A 45 10.216 7.983 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.458 7.024 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.023 6.304 3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.840 8.634 5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.901 10.037 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.003 9.322 3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.233 5.014 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.304 5.723 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.714 6.454 5.465 1.00 0.00 H new ATOM 687 N GLU A 46 11.519 11.082 3.289 1.00 0.00 N ATOM 688 CA GLU A 46 12.052 12.358 3.751 1.00 0.00 C ATOM 689 C GLU A 46 11.333 12.823 5.014 1.00 0.00 C ATOM 690 O GLU A 46 10.185 12.455 5.257 1.00 0.00 O ATOM 691 CB GLU A 46 11.918 13.418 2.655 1.00 0.00 C ATOM 692 CG GLU A 46 12.455 14.781 3.058 1.00 0.00 C ATOM 693 CD GLU A 46 12.305 15.816 1.960 1.00 0.00 C ATOM 694 OE1 GLU A 46 11.215 16.416 1.855 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.278 16.025 1.205 1.00 0.00 O ATOM 0 H GLU A 46 11.393 11.018 2.279 1.00 0.00 H new ATOM 0 HA GLU A 46 13.107 12.219 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.447 13.077 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.867 13.517 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.931 15.125 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.508 14.688 3.323 1.00 0.00 H new ATOM 702 N GLU A 47 12.019 13.634 5.814 1.00 0.00 N ATOM 703 CA GLU A 47 11.447 14.148 7.053 1.00 0.00 C ATOM 704 C GLU A 47 10.440 15.257 6.767 1.00 0.00 C ATOM 705 O GLU A 47 10.477 15.888 5.711 1.00 0.00 O ATOM 706 CB GLU A 47 12.552 14.671 7.972 1.00 0.00 C ATOM 707 CG GLU A 47 12.212 14.573 9.450 1.00 0.00 C ATOM 708 CD GLU A 47 11.471 15.794 9.960 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.837 16.919 9.560 1.00 0.00 O ATOM 710 OE2 GLU A 47 10.527 15.625 10.759 1.00 0.00 O ATOM 0 H GLU A 47 12.971 13.949 5.626 1.00 0.00 H new ATOM 0 HA GLU A 47 10.928 13.329 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.467 14.111 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.757 15.712 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.603 13.685 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.131 14.444 10.023 1.00 0.00 H new ATOM 717 N GLY A 48 9.539 15.490 7.717 1.00 0.00 N ATOM 718 CA GLY A 48 8.533 16.523 7.549 1.00 0.00 C ATOM 719 C GLY A 48 7.790 16.399 6.234 1.00 0.00 C ATOM 720 O GLY A 48 7.345 17.398 5.669 1.00 0.00 O ATOM 0 H GLY A 48 9.488 14.982 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.820 16.469 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.009 17.502 7.603 1.00 0.00 H new ATOM 724 N SER A 49 7.655 15.171 5.745 1.00 0.00 N ATOM 725 CA SER A 49 6.965 14.921 4.485 1.00 0.00 C ATOM 726 C SER A 49 5.513 14.523 4.731 1.00 0.00 C ATOM 727 O SER A 49 5.155 14.004 5.788 1.00 0.00 O ATOM 728 CB SER A 49 7.680 13.822 3.697 1.00 0.00 C ATOM 729 OG SER A 49 7.192 12.540 4.051 1.00 0.00 O ATOM 0 H SER A 49 8.014 14.333 6.202 1.00 0.00 H new ATOM 0 HA SER A 49 6.978 15.843 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.539 13.986 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.752 13.872 3.888 1.00 0.00 H new ATOM 0 HG SER A 49 7.664 11.856 3.532 1.00 0.00 H new ATOM 735 N PRO A 50 4.654 14.773 3.731 1.00 0.00 N ATOM 736 CA PRO A 50 3.227 14.448 3.813 1.00 0.00 C ATOM 737 C PRO A 50 2.972 12.945 3.788 1.00 0.00 C ATOM 738 O PRO A 50 1.863 12.490 4.067 1.00 0.00 O ATOM 739 CB PRO A 50 2.640 15.111 2.564 1.00 0.00 C ATOM 740 CG PRO A 50 3.778 15.187 1.605 1.00 0.00 C ATOM 741 CD PRO A 50 5.011 15.389 2.442 1.00 0.00 C ATOM 0 HA PRO A 50 2.783 14.796 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.816 14.526 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.246 16.102 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.852 14.274 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.643 16.010 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.882 14.910 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.251 16.446 2.555 1.00 0.00 H new ATOM 749 N ALA A 51 4.005 12.179 3.454 1.00 0.00 N ATOM 750 CA ALA A 51 3.893 10.727 3.396 1.00 0.00 C ATOM 751 C ALA A 51 4.062 10.108 4.779 1.00 0.00 C ATOM 752 O ALA A 51 3.319 9.204 5.159 1.00 0.00 O ATOM 753 CB ALA A 51 4.921 10.157 2.430 1.00 0.00 C ATOM 0 H ALA A 51 4.930 12.540 3.219 1.00 0.00 H new ATOM 0 HA ALA A 51 2.895 10.478 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.826 9.072 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.751 10.567 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.923 10.423 2.766 1.00 0.00 H new ATOM 759 N GLU A 52 5.045 10.600 5.526 1.00 0.00 N ATOM 760 CA GLU A 52 5.312 10.092 6.867 1.00 0.00 C ATOM 761 C GLU A 52 4.204 10.500 7.834 1.00 0.00 C ATOM 762 O GLU A 52 3.653 9.665 8.552 1.00 0.00 O ATOM 763 CB GLU A 52 6.661 10.608 7.373 1.00 0.00 C ATOM 764 CG GLU A 52 7.229 9.799 8.526 1.00 0.00 C ATOM 765 CD GLU A 52 8.080 8.634 8.058 1.00 0.00 C ATOM 766 OE1 GLU A 52 7.527 7.711 7.425 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.300 8.647 8.324 1.00 0.00 O ATOM 0 H GLU A 52 5.669 11.349 5.226 1.00 0.00 H new ATOM 0 HA GLU A 52 5.343 9.004 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.375 10.601 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.548 11.645 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.829 10.451 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.410 9.423 9.139 1.00 0.00 H new ATOM 774 N LYS A 53 3.883 11.789 7.847 1.00 0.00 N ATOM 775 CA LYS A 53 2.841 12.310 8.724 1.00 0.00 C ATOM 776 C LYS A 53 1.540 11.536 8.541 1.00 0.00 C ATOM 777 O LYS A 53 0.678 11.537 9.419 1.00 0.00 O ATOM 778 CB LYS A 53 2.607 13.796 8.445 1.00 0.00 C ATOM 779 CG LYS A 53 3.638 14.706 9.089 1.00 0.00 C ATOM 780 CD LYS A 53 3.322 16.171 8.840 1.00 0.00 C ATOM 781 CE LYS A 53 3.801 16.619 7.468 1.00 0.00 C ATOM 782 NZ LYS A 53 3.151 17.889 7.040 1.00 0.00 N ATOM 0 H LYS A 53 4.330 12.493 7.260 1.00 0.00 H new ATOM 0 HA LYS A 53 3.174 12.189 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.613 13.960 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.616 14.073 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.671 14.517 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.627 14.474 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.247 16.331 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.795 16.782 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.883 16.753 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.590 15.839 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.504 18.160 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.121 17.754 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.374 18.640 7.724 1.00 0.00 H new ATOM 796 N ALA A 54 1.405 10.875 7.396 1.00 0.00 N ATOM 797 CA ALA A 54 0.210 10.094 7.101 1.00 0.00 C ATOM 798 C ALA A 54 0.266 8.728 7.777 1.00 0.00 C ATOM 799 O ALA A 54 -0.529 7.841 7.471 1.00 0.00 O ATOM 800 CB ALA A 54 0.043 9.934 5.597 1.00 0.00 C ATOM 0 H ALA A 54 2.109 10.865 6.658 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.652 10.631 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.853 9.349 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.051 10.917 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.913 9.422 5.187 1.00 0.00 H new ATOM 806 N GLY A 55 1.212 8.566 8.697 1.00 0.00 N ATOM 807 CA GLY A 55 1.354 7.305 9.401 1.00 0.00 C ATOM 808 C GLY A 55 2.288 6.346 8.690 1.00 0.00 C ATOM 809 O GLY A 55 2.783 5.390 9.289 1.00 0.00 O ATOM 0 H GLY A 55 1.883 9.286 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.729 7.494 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.374 6.840 9.509 1.00 0.00 H new ATOM 813 N LEU A 56 2.530 6.599 7.408 1.00 0.00 N ATOM 814 CA LEU A 56 3.409 5.750 6.613 1.00 0.00 C ATOM 815 C LEU A 56 4.800 5.672 7.236 1.00 0.00 C ATOM 816 O LEU A 56 5.321 6.666 7.743 1.00 0.00 O ATOM 817 CB LEU A 56 3.508 6.281 5.182 1.00 0.00 C ATOM 818 CG LEU A 56 3.749 5.236 4.093 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.444 4.556 3.708 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.399 5.875 2.874 1.00 0.00 C ATOM 0 H LEU A 56 2.129 7.386 6.897 1.00 0.00 H new ATOM 0 HA LEU A 56 2.983 4.747 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.586 6.813 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.316 7.011 5.142 1.00 0.00 H new ATOM 0 HG LEU A 56 4.428 4.479 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.635 3.815 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.018 4.064 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.742 5.301 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.563 5.116 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.746 6.653 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.355 6.315 3.160 1.00 0.00 H new ATOM 832 N LEU A 57 5.396 4.486 7.193 1.00 0.00 N ATOM 833 CA LEU A 57 6.728 4.278 7.750 1.00 0.00 C ATOM 834 C LEU A 57 7.540 3.324 6.880 1.00 0.00 C ATOM 835 O LEU A 57 7.006 2.691 5.970 1.00 0.00 O ATOM 836 CB LEU A 57 6.626 3.727 9.174 1.00 0.00 C ATOM 837 CG LEU A 57 6.250 4.736 10.259 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.534 4.043 11.408 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.488 5.465 10.762 1.00 0.00 C ATOM 0 H LEU A 57 4.978 3.653 6.778 1.00 0.00 H new ATOM 0 HA LEU A 57 7.239 5.241 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.887 2.925 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.584 3.280 9.438 1.00 0.00 H new ATOM 0 HG LEU A 57 5.571 5.470 9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.274 4.777 12.171 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.626 3.568 11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.188 3.286 11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.201 6.179 11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.191 4.744 11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.960 5.995 9.934 1.00 0.00 H new ATOM 851 N ASP A 58 8.834 3.226 7.168 1.00 0.00 N ATOM 852 CA ASP A 58 9.720 2.347 6.414 1.00 0.00 C ATOM 853 C ASP A 58 9.475 0.886 6.779 1.00 0.00 C ATOM 854 O ASP A 58 9.696 0.474 7.917 1.00 0.00 O ATOM 855 CB ASP A 58 11.181 2.713 6.676 1.00 0.00 C ATOM 856 CG ASP A 58 11.646 2.286 8.055 1.00 0.00 C ATOM 857 OD1 ASP A 58 10.972 2.639 9.044 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.686 1.598 8.144 1.00 0.00 O ATOM 0 H ASP A 58 9.292 3.744 7.918 1.00 0.00 H new ATOM 0 HA ASP A 58 9.506 2.479 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.811 2.243 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.307 3.791 6.571 1.00 0.00 H new ATOM 863 N GLY A 59 9.015 0.106 5.805 1.00 0.00 N ATOM 864 CA GLY A 59 8.747 -1.300 6.044 1.00 0.00 C ATOM 865 C GLY A 59 7.270 -1.631 5.959 1.00 0.00 C ATOM 866 O GLY A 59 6.831 -2.670 6.451 1.00 0.00 O ATOM 0 H GLY A 59 8.823 0.423 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.293 -1.900 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.122 -1.576 7.030 1.00 0.00 H new ATOM 870 N ASP A 60 6.502 -0.745 5.334 1.00 0.00 N ATOM 871 CA ASP A 60 5.066 -0.948 5.186 1.00 0.00 C ATOM 872 C ASP A 60 4.725 -1.411 3.774 1.00 0.00 C ATOM 873 O ASP A 60 5.155 -0.808 2.791 1.00 0.00 O ATOM 874 CB ASP A 60 4.311 0.343 5.509 1.00 0.00 C ATOM 875 CG ASP A 60 4.239 0.614 6.999 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.168 1.258 7.530 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.254 0.183 7.634 1.00 0.00 O ATOM 0 H ASP A 60 6.850 0.121 4.922 1.00 0.00 H new ATOM 0 HA ASP A 60 4.760 -1.724 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.801 1.181 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.301 0.281 5.105 1.00 0.00 H new ATOM 882 N ARG A 61 3.950 -2.487 3.680 1.00 0.00 N ATOM 883 CA ARG A 61 3.553 -3.033 2.388 1.00 0.00 C ATOM 884 C ARG A 61 2.176 -2.519 1.980 1.00 0.00 C ATOM 885 O ARG A 61 1.220 -2.593 2.752 1.00 0.00 O ATOM 886 CB ARG A 61 3.544 -4.562 2.437 1.00 0.00 C ATOM 887 CG ARG A 61 4.911 -5.187 2.209 1.00 0.00 C ATOM 888 CD ARG A 61 5.819 -4.996 3.414 1.00 0.00 C ATOM 889 NE ARG A 61 6.857 -6.021 3.485 1.00 0.00 N ATOM 890 CZ ARG A 61 6.648 -7.248 3.949 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.446 -7.601 4.381 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.644 -8.124 3.982 1.00 0.00 N ATOM 0 H ARG A 61 3.585 -2.998 4.484 1.00 0.00 H new ATOM 0 HA ARG A 61 4.279 -2.704 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.164 -4.884 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.852 -4.937 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.796 -6.251 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.374 -4.741 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.284 -4.012 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.222 -5.021 4.326 1.00 0.00 H new ATOM 0 HE ARG A 61 7.794 -5.782 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.678 -6.930 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.289 -8.544 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.571 -7.855 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.483 -9.066 4.338 1.00 0.00 H new ATOM 906 N VAL A 62 2.082 -1.996 0.762 1.00 0.00 N ATOM 907 CA VAL A 62 0.822 -1.470 0.251 1.00 0.00 C ATOM 908 C VAL A 62 0.041 -2.544 -0.498 1.00 0.00 C ATOM 909 O VAL A 62 0.544 -3.142 -1.450 1.00 0.00 O ATOM 910 CB VAL A 62 1.054 -0.271 -0.688 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.219 -0.545 -1.626 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.211 0.044 -1.473 1.00 0.00 C ATOM 0 H VAL A 62 2.864 -1.925 0.110 1.00 0.00 H new ATOM 0 HA VAL A 62 0.244 -1.140 1.114 1.00 0.00 H new ATOM 0 HB VAL A 62 1.304 0.600 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.368 0.313 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.123 -0.717 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.002 -1.428 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.029 0.894 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.494 -0.823 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.017 0.287 -0.781 1.00 0.00 H new ATOM 922 N LEU A 63 -1.191 -2.783 -0.064 1.00 0.00 N ATOM 923 CA LEU A 63 -2.044 -3.785 -0.693 1.00 0.00 C ATOM 924 C LEU A 63 -2.774 -3.200 -1.898 1.00 0.00 C ATOM 925 O LEU A 63 -2.780 -3.788 -2.979 1.00 0.00 O ATOM 926 CB LEU A 63 -3.056 -4.330 0.316 1.00 0.00 C ATOM 927 CG LEU A 63 -2.471 -5.064 1.523 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.455 -5.054 2.682 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.099 -6.492 1.150 1.00 0.00 C ATOM 0 H LEU A 63 -1.622 -2.296 0.722 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.409 -4.601 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.660 -3.499 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.730 -5.010 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.566 -4.544 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.021 -5.581 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.672 -4.024 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.378 -5.550 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.684 -6.999 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.988 -7.023 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.358 -6.478 0.351 1.00 0.00 H new ATOM 941 N ARG A 64 -3.388 -2.037 -1.703 1.00 0.00 N ATOM 942 CA ARG A 64 -4.120 -1.371 -2.773 1.00 0.00 C ATOM 943 C ARG A 64 -3.790 0.118 -2.814 1.00 0.00 C ATOM 944 O ARG A 64 -3.674 0.766 -1.773 1.00 0.00 O ATOM 945 CB ARG A 64 -5.626 -1.566 -2.587 1.00 0.00 C ATOM 946 CG ARG A 64 -6.028 -3.012 -2.346 1.00 0.00 C ATOM 947 CD ARG A 64 -7.498 -3.126 -1.974 1.00 0.00 C ATOM 948 NE ARG A 64 -8.075 -4.396 -2.408 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.440 -4.647 -3.660 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.289 -3.721 -4.597 1.00 0.00 N ATOM 951 NH2 ARG A 64 -8.958 -5.827 -3.978 1.00 0.00 N ATOM 0 H ARG A 64 -3.393 -1.537 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.816 -1.818 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.961 -0.960 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.144 -1.197 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.832 -3.600 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.416 -3.433 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.607 -3.028 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.051 -2.303 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.205 -5.130 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.891 -2.813 -4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.570 -3.917 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.076 -6.542 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.238 -6.019 -4.940 1.00 0.00 H new ATOM 965 N ILE A 65 -3.640 0.653 -4.021 1.00 0.00 N ATOM 966 CA ILE A 65 -3.323 2.065 -4.196 1.00 0.00 C ATOM 967 C ILE A 65 -4.534 2.840 -4.706 1.00 0.00 C ATOM 968 O ILE A 65 -5.097 2.514 -5.749 1.00 0.00 O ATOM 969 CB ILE A 65 -2.151 2.262 -5.176 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.455 3.598 -4.910 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.645 2.193 -6.613 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.406 4.773 -4.848 1.00 0.00 C ATOM 0 H ILE A 65 -3.733 0.130 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.035 2.448 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.429 1.460 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.909 3.533 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.719 3.777 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.805 2.334 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.100 1.219 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.384 2.976 -6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.843 5.687 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.934 4.864 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.127 4.616 -4.046 1.00 0.00 H new ATOM 984 N ASN A 66 -4.926 3.869 -3.963 1.00 0.00 N ATOM 985 CA ASN A 66 -6.069 4.693 -4.340 1.00 0.00 C ATOM 986 C ASN A 66 -7.278 3.825 -4.674 1.00 0.00 C ATOM 987 O ASN A 66 -8.125 4.206 -5.481 1.00 0.00 O ATOM 988 CB ASN A 66 -5.715 5.576 -5.538 1.00 0.00 C ATOM 989 CG ASN A 66 -6.640 6.769 -5.671 1.00 0.00 C ATOM 990 OD1 ASN A 66 -6.406 7.793 -4.858 1.00 0.00 O flip ATOM 991 ND2 ASN A 66 -7.555 6.771 -6.495 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.469 4.153 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.323 5.328 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.688 5.926 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.761 4.981 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.698 5.962 -7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.169 7.581 -6.573 1.00 0.00 H new ATOM 998 N GLY A 67 -7.352 2.655 -4.046 1.00 0.00 N ATOM 999 CA GLY A 67 -8.461 1.751 -4.289 1.00 0.00 C ATOM 1000 C GLY A 67 -8.212 0.833 -5.470 1.00 0.00 C ATOM 1001 O GLY A 67 -9.127 0.537 -6.239 1.00 0.00 O ATOM 0 H GLY A 67 -6.664 2.317 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.639 1.150 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.366 2.331 -4.468 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.971 0.380 -5.615 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.604 -0.509 -6.710 1.00 0.00 C ATOM 1007 C VAL A 68 -5.612 -1.570 -6.248 1.00 0.00 C ATOM 1008 O VAL A 68 -4.542 -1.251 -5.728 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.991 0.273 -7.887 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.552 -0.679 -8.990 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.982 1.297 -8.419 1.00 0.00 C ATOM 0 H VAL A 68 -6.202 0.615 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.521 -0.994 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.110 0.805 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.121 -0.109 -9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.806 -1.370 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.414 -1.241 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.533 1.841 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.882 0.788 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.242 1.998 -7.626 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.973 -2.834 -6.442 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.114 -3.944 -6.044 1.00 0.00 C ATOM 1023 C PHE A 69 -3.822 -3.950 -6.856 1.00 0.00 C ATOM 1024 O PHE A 69 -3.796 -4.405 -7.999 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.848 -5.274 -6.224 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.201 -6.419 -5.498 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.110 -6.417 -4.115 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.684 -7.497 -6.198 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.514 -7.469 -3.445 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.087 -8.552 -5.533 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.003 -8.538 -4.154 1.00 0.00 C ATOM 0 H PHE A 69 -6.854 -3.116 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.861 -3.816 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.874 -5.164 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.899 -5.511 -7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.509 -5.584 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.748 -7.513 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.448 -7.455 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.687 -9.386 -6.091 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.539 -9.361 -3.632 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.751 -3.440 -6.256 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.455 -3.386 -6.921 1.00 0.00 C ATOM 1043 C VAL A 70 -0.473 -4.369 -6.292 1.00 0.00 C ATOM 1044 O VAL A 70 0.678 -4.025 -6.022 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.853 -1.970 -6.865 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.743 -0.982 -7.604 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.646 -1.536 -5.421 1.00 0.00 C ATOM 0 H VAL A 70 -2.756 -3.058 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.623 -3.660 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 70 0.119 -1.987 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.302 0.013 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.836 -1.286 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.730 -0.965 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.220 -0.533 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.604 -1.534 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.034 -2.230 -4.927 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.935 -5.593 -6.062 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.097 -6.627 -5.467 1.00 0.00 C ATOM 1059 C ASP A 71 0.870 -7.203 -6.496 1.00 0.00 C ATOM 1060 O ASP A 71 2.042 -7.435 -6.201 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.965 -7.744 -4.884 1.00 0.00 C ATOM 1062 CG ASP A 71 -1.268 -8.830 -5.898 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -1.806 -8.502 -6.975 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.968 -10.008 -5.612 1.00 0.00 O ATOM 0 H ASP A 71 -1.885 -5.893 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 71 0.484 -6.172 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.458 -8.184 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.901 -7.320 -4.519 1.00 0.00 H new ATOM 1069 N LYS A 72 0.371 -7.431 -7.707 1.00 0.00 N ATOM 1070 CA LYS A 72 1.190 -7.979 -8.781 1.00 0.00 C ATOM 1071 C LYS A 72 1.630 -6.881 -9.744 1.00 0.00 C ATOM 1072 O LYS A 72 2.658 -7.002 -10.409 1.00 0.00 O ATOM 1073 CB LYS A 72 0.415 -9.059 -9.541 1.00 0.00 C ATOM 1074 CG LYS A 72 1.149 -9.590 -10.760 1.00 0.00 C ATOM 1075 CD LYS A 72 2.174 -10.645 -10.378 1.00 0.00 C ATOM 1076 CE LYS A 72 3.117 -10.950 -11.532 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.508 -11.892 -12.511 1.00 0.00 N ATOM 0 H LYS A 72 -0.597 -7.244 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 72 2.079 -8.424 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.205 -9.887 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.546 -8.652 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.431 -10.016 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.646 -8.767 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.749 -10.301 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.662 -11.558 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.384 -10.022 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.041 -11.378 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.182 -12.075 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.277 -12.787 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.640 -11.473 -12.902 1.00 0.00 H new ATOM 1091 N GLU A 73 0.844 -5.811 -9.813 1.00 0.00 N ATOM 1092 CA GLU A 73 1.154 -4.692 -10.695 1.00 0.00 C ATOM 1093 C GLU A 73 2.618 -4.281 -10.559 1.00 0.00 C ATOM 1094 O GLU A 73 3.154 -4.216 -9.453 1.00 0.00 O ATOM 1095 CB GLU A 73 0.247 -3.500 -10.382 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.215 -3.745 -10.714 1.00 0.00 C ATOM 1097 CD GLU A 73 -2.027 -2.464 -10.752 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.457 -1.410 -11.104 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -3.232 -2.517 -10.430 1.00 0.00 O ATOM 0 H GLU A 73 -0.011 -5.696 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 73 0.978 -5.013 -11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.335 -3.256 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.597 -2.631 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.286 -4.244 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.644 -4.421 -9.974 1.00 0.00 H new ATOM 1106 N GLU A 74 3.257 -4.006 -11.691 1.00 0.00 N ATOM 1107 CA GLU A 74 4.659 -3.603 -11.698 1.00 0.00 C ATOM 1108 C GLU A 74 4.813 -2.163 -11.217 1.00 0.00 C ATOM 1109 O GLU A 74 3.894 -1.353 -11.343 1.00 0.00 O ATOM 1110 CB GLU A 74 5.248 -3.750 -13.102 1.00 0.00 C ATOM 1111 CG GLU A 74 6.759 -3.601 -13.147 1.00 0.00 C ATOM 1112 CD GLU A 74 7.480 -4.783 -12.529 1.00 0.00 C ATOM 1113 OE1 GLU A 74 7.325 -5.909 -13.048 1.00 0.00 O ATOM 1114 OE2 GLU A 74 8.198 -4.584 -11.528 1.00 0.00 O ATOM 0 H GLU A 74 2.827 -4.055 -12.615 1.00 0.00 H new ATOM 0 HA GLU A 74 5.202 -4.256 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.976 -4.727 -13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.798 -3.003 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.078 -3.486 -14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.046 -2.690 -12.622 1.00 0.00 H new ATOM 1121 N HIS A 75 5.981 -1.851 -10.666 1.00 0.00 N ATOM 1122 CA HIS A 75 6.257 -0.509 -10.166 1.00 0.00 C ATOM 1123 C HIS A 75 5.681 0.549 -11.102 1.00 0.00 C ATOM 1124 O HIS A 75 4.977 1.460 -10.667 1.00 0.00 O ATOM 1125 CB HIS A 75 7.764 -0.300 -10.008 1.00 0.00 C ATOM 1126 CG HIS A 75 8.138 1.101 -9.636 1.00 0.00 C ATOM 1127 ND1 HIS A 75 8.048 1.588 -8.349 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.608 2.122 -10.390 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.445 2.848 -8.327 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.790 3.196 -9.554 1.00 0.00 N ATOM 0 H HIS A 75 6.752 -2.509 -10.554 1.00 0.00 H new ATOM 0 HA HIS A 75 5.779 -0.406 -9.192 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.139 -0.982 -9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.259 -0.564 -10.943 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.804 2.097 -11.452 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.481 3.485 -7.455 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.136 4.114 -9.835 1.00 0.00 H new ATOM 1139 N ALA A 76 5.984 0.421 -12.390 1.00 0.00 N ATOM 1140 CA ALA A 76 5.495 1.364 -13.388 1.00 0.00 C ATOM 1141 C ALA A 76 3.970 1.408 -13.401 1.00 0.00 C ATOM 1142 O ALA A 76 3.373 2.464 -13.610 1.00 0.00 O ATOM 1143 CB ALA A 76 6.026 0.998 -14.766 1.00 0.00 C ATOM 0 H ALA A 76 6.566 -0.327 -12.767 1.00 0.00 H new ATOM 0 HA ALA A 76 5.859 2.357 -13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.652 1.711 -15.501 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.116 1.025 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.691 -0.005 -15.030 1.00 0.00 H new ATOM 1149 N GLN A 77 3.348 0.256 -13.176 1.00 0.00 N ATOM 1150 CA GLN A 77 1.893 0.164 -13.164 1.00 0.00 C ATOM 1151 C GLN A 77 1.315 0.834 -11.921 1.00 0.00 C ATOM 1152 O GLN A 77 0.255 1.457 -11.975 1.00 0.00 O ATOM 1153 CB GLN A 77 1.452 -1.300 -13.220 1.00 0.00 C ATOM 1154 CG GLN A 77 1.528 -1.905 -14.613 1.00 0.00 C ATOM 1155 CD GLN A 77 0.812 -1.067 -15.653 1.00 0.00 C ATOM 1156 OE1 GLN A 77 1.435 -0.294 -16.382 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.506 -1.215 -15.729 1.00 0.00 N ATOM 0 H GLN A 77 3.828 -0.626 -13.000 1.00 0.00 H new ATOM 0 HA GLN A 77 1.515 0.684 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.076 -1.885 -12.544 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.428 -1.377 -12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.574 -2.017 -14.900 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.093 -2.904 -14.595 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.983 -1.867 -15.106 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.041 -0.677 -16.411 1.00 0.00 H new ATOM 1166 N VAL A 78 2.020 0.700 -10.802 1.00 0.00 N ATOM 1167 CA VAL A 78 1.578 1.292 -9.545 1.00 0.00 C ATOM 1168 C VAL A 78 1.775 2.804 -9.551 1.00 0.00 C ATOM 1169 O VAL A 78 0.819 3.566 -9.410 1.00 0.00 O ATOM 1170 CB VAL A 78 2.334 0.691 -8.345 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.807 1.268 -7.040 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.222 -0.826 -8.351 1.00 0.00 C ATOM 0 H VAL A 78 2.899 0.187 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 78 0.516 1.067 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 78 3.388 0.955 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.352 0.832 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.944 2.349 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.746 1.036 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.762 -1.234 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.173 -1.114 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.651 -1.219 -9.273 1.00 0.00 H new ATOM 1182 N VAL A 79 3.023 3.232 -9.715 1.00 0.00 N ATOM 1183 CA VAL A 79 3.347 4.653 -9.741 1.00 0.00 C ATOM 1184 C VAL A 79 2.338 5.431 -10.579 1.00 0.00 C ATOM 1185 O VAL A 79 1.920 6.526 -10.204 1.00 0.00 O ATOM 1186 CB VAL A 79 4.760 4.897 -10.303 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.818 4.536 -11.779 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.179 6.342 -10.082 1.00 0.00 C ATOM 0 H VAL A 79 3.826 2.614 -9.832 1.00 0.00 H new ATOM 0 HA VAL A 79 3.308 5.005 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 79 5.460 4.254 -9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.824 4.715 -12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.564 3.484 -11.906 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.107 5.150 -12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.180 6.496 -10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.478 7.006 -10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.180 6.561 -9.014 1.00 0.00 H new ATOM 1198 N GLU A 80 1.952 4.857 -11.714 1.00 0.00 N ATOM 1199 CA GLU A 80 0.992 5.498 -12.605 1.00 0.00 C ATOM 1200 C GLU A 80 -0.304 5.821 -11.866 1.00 0.00 C ATOM 1201 O GLU A 80 -0.844 6.922 -11.988 1.00 0.00 O ATOM 1202 CB GLU A 80 0.697 4.598 -13.806 1.00 0.00 C ATOM 1203 CG GLU A 80 0.225 5.357 -15.035 1.00 0.00 C ATOM 1204 CD GLU A 80 1.354 6.084 -15.740 1.00 0.00 C ATOM 1205 OE1 GLU A 80 1.784 7.142 -15.234 1.00 0.00 O ATOM 1206 OE2 GLU A 80 1.806 5.596 -16.796 1.00 0.00 O ATOM 0 H GLU A 80 2.289 3.950 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 80 1.430 6.431 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.597 4.038 -14.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.064 3.869 -13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.244 4.660 -15.730 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.539 6.077 -14.742 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.799 4.854 -11.102 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.032 5.033 -10.344 1.00 0.00 C ATOM 1215 C LEU A 81 -1.896 6.179 -9.346 1.00 0.00 C ATOM 1216 O LEU A 81 -2.787 7.020 -9.225 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.395 3.742 -9.609 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.865 2.580 -10.485 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.562 1.249 -9.815 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.353 2.704 -10.780 1.00 0.00 C ATOM 0 H LEU A 81 -0.365 3.938 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.828 5.279 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.524 3.414 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.180 3.967 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.322 2.619 -11.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.904 0.434 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.488 1.158 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.077 1.199 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.671 1.869 -11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.912 2.691 -9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.543 3.641 -11.303 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.774 6.206 -8.633 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.520 7.250 -7.648 1.00 0.00 C ATOM 1234 C VAL A 82 -0.741 8.635 -8.245 1.00 0.00 C ATOM 1235 O VAL A 82 -1.416 9.477 -7.653 1.00 0.00 O ATOM 1236 CB VAL A 82 0.916 7.164 -7.097 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.173 8.281 -6.098 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.162 5.803 -6.463 1.00 0.00 C ATOM 0 H VAL A 82 -0.027 5.517 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.225 7.093 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 82 1.613 7.285 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.192 8.204 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.040 9.245 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.471 8.196 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.181 5.759 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.459 5.651 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.022 5.023 -7.211 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.168 8.864 -9.422 1.00 0.00 N ATOM 1249 CA ARG A 83 -0.301 10.148 -10.100 1.00 0.00 C ATOM 1250 C ARG A 83 -1.762 10.435 -10.438 1.00 0.00 C ATOM 1251 O ARG A 83 -2.343 11.407 -9.956 1.00 0.00 O ATOM 1252 CB ARG A 83 0.542 10.165 -11.376 1.00 0.00 C ATOM 1253 CG ARG A 83 2.039 10.200 -11.117 1.00 0.00 C ATOM 1254 CD ARG A 83 2.810 10.620 -12.359 1.00 0.00 C ATOM 1255 NE ARG A 83 4.103 11.212 -12.026 1.00 0.00 N ATOM 1256 CZ ARG A 83 5.130 11.253 -12.867 1.00 0.00 C ATOM 1257 NH1 ARG A 83 5.016 10.741 -14.085 1.00 0.00 N ATOM 1258 NH2 ARG A 83 6.275 11.809 -12.491 1.00 0.00 N ATOM 0 H ARG A 83 0.393 8.177 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 83 0.058 10.926 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.305 9.282 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.265 11.034 -11.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.252 10.893 -10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.376 9.215 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.963 9.753 -13.001 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.218 11.337 -12.928 1.00 0.00 H new ATOM 0 HE ARG A 83 4.224 11.616 -11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.137 10.314 -14.379 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.807 10.774 -14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.367 12.205 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.063 11.840 -13.137 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.349 9.582 -11.270 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.741 9.741 -11.674 1.00 0.00 C ATOM 1274 C LYS A 84 -4.632 10.003 -10.463 1.00 0.00 C ATOM 1275 O LYS A 84 -5.537 10.835 -10.515 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.225 8.493 -12.416 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.412 8.170 -13.657 1.00 0.00 C ATOM 1278 CD LYS A 84 -3.467 6.688 -13.989 1.00 0.00 C ATOM 1279 CE LYS A 84 -4.676 6.355 -14.849 1.00 0.00 C ATOM 1280 NZ LYS A 84 -4.466 5.114 -15.645 1.00 0.00 N ATOM 0 H LYS A 84 -1.882 8.772 -11.678 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.803 10.600 -12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.191 7.641 -11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.268 8.632 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.790 8.747 -14.501 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.376 8.471 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.556 6.397 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.504 6.108 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.552 6.234 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.883 7.187 -15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.313 4.921 -16.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.645 5.238 -16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.293 4.315 -15.003 1.00 0.00 H new ATOM 1294 N SER A 85 -4.367 9.289 -9.374 1.00 0.00 N ATOM 1295 CA SER A 85 -5.146 9.443 -8.151 1.00 0.00 C ATOM 1296 C SER A 85 -5.548 10.900 -7.942 1.00 0.00 C ATOM 1297 O SER A 85 -6.732 11.226 -7.878 1.00 0.00 O ATOM 1298 CB SER A 85 -4.346 8.945 -6.945 1.00 0.00 C ATOM 1299 OG SER A 85 -3.962 7.591 -7.111 1.00 0.00 O ATOM 0 H SER A 85 -3.619 8.598 -9.313 1.00 0.00 H new ATOM 0 HA SER A 85 -6.052 8.845 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.459 9.564 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.945 9.048 -6.040 1.00 0.00 H new ATOM 0 HG SER A 85 -3.173 7.543 -7.690 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.550 11.773 -7.838 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.819 13.185 -7.638 1.00 0.00 C ATOM 1307 C GLY A 86 -4.027 13.768 -6.484 1.00 0.00 C ATOM 1308 O GLY A 86 -3.243 13.069 -5.844 1.00 0.00 O ATOM 0 H GLY A 86 -3.561 11.528 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.580 13.730 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.884 13.326 -7.452 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.232 15.054 -6.217 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.530 15.732 -5.134 1.00 0.00 C ATOM 1314 C ASN A 87 -3.539 14.883 -3.866 1.00 0.00 C ATOM 1315 O ASN A 87 -2.547 14.825 -3.138 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.171 17.093 -4.855 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.092 18.024 -6.049 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -2.891 18.507 -6.345 1.00 0.00 O flip ATOM 1319 ND2 ASN A 87 -5.100 18.306 -6.697 1.00 0.00 N flip ATOM 0 H ASN A 87 -4.879 15.647 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.496 15.883 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.215 16.950 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.676 17.557 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.003 17.911 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.032 18.934 -7.498 1.00 0.00 H new ATOM 1326 N SER A 88 -4.665 14.227 -3.607 1.00 0.00 N ATOM 1327 CA SER A 88 -4.805 13.384 -2.426 1.00 0.00 C ATOM 1328 C SER A 88 -4.875 11.910 -2.815 1.00 0.00 C ATOM 1329 O SER A 88 -5.780 11.489 -3.535 1.00 0.00 O ATOM 1330 CB SER A 88 -6.057 13.775 -1.639 1.00 0.00 C ATOM 1331 OG SER A 88 -7.233 13.358 -2.311 1.00 0.00 O ATOM 0 H SER A 88 -5.494 14.263 -4.200 1.00 0.00 H new ATOM 0 HA SER A 88 -3.927 13.535 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.022 13.325 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.079 14.856 -1.498 1.00 0.00 H new ATOM 0 HG SER A 88 -7.032 12.577 -2.868 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.912 11.131 -2.332 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.864 9.704 -2.628 1.00 0.00 C ATOM 1339 C VAL A 89 -4.074 8.874 -1.366 1.00 0.00 C ATOM 1340 O VAL A 89 -3.783 9.324 -0.257 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.521 9.309 -3.271 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.521 7.834 -3.644 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.239 10.176 -4.489 1.00 0.00 C ATOM 0 H VAL A 89 -3.155 11.464 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.670 9.499 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.726 9.475 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.564 7.573 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.675 7.232 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.324 7.638 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.287 9.884 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.035 10.044 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.193 11.223 -4.188 1.00 0.00 H new ATOM 1353 N THR A 90 -4.582 7.658 -1.542 1.00 0.00 N ATOM 1354 CA THR A 90 -4.833 6.764 -0.418 1.00 0.00 C ATOM 1355 C THR A 90 -4.014 5.484 -0.541 1.00 0.00 C ATOM 1356 O THR A 90 -3.763 4.999 -1.645 1.00 0.00 O ATOM 1357 CB THR A 90 -6.325 6.398 -0.313 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.128 7.580 -0.409 1.00 0.00 O ATOM 1359 CG2 THR A 90 -6.617 5.685 0.999 1.00 0.00 C ATOM 0 H THR A 90 -4.828 7.270 -2.453 1.00 0.00 H new ATOM 0 HA THR A 90 -4.534 7.298 0.484 1.00 0.00 H new ATOM 0 HB THR A 90 -6.570 5.726 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.075 7.338 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.677 5.437 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.027 4.770 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.356 6.337 1.833 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.601 4.941 0.599 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.810 3.715 0.619 1.00 0.00 C ATOM 1369 C LEU A 91 -3.249 2.803 1.761 1.00 0.00 C ATOM 1370 O LEU A 91 -3.585 3.271 2.849 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.323 4.046 0.758 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.778 5.103 -0.203 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.600 5.569 0.242 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.725 4.556 -1.622 1.00 0.00 C ATOM 0 H LEU A 91 -3.800 5.330 1.521 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.972 3.191 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.140 4.383 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.752 3.128 0.618 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.451 5.960 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.972 6.321 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.533 6.000 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.283 4.720 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.335 5.321 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.074 3.682 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.728 4.272 -1.940 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.241 1.499 1.506 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.636 0.520 2.513 1.00 0.00 C ATOM 1388 C LEU A 92 -2.446 -0.334 2.937 1.00 0.00 C ATOM 1389 O LEU A 92 -1.970 -1.177 2.177 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.753 -0.373 1.973 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.150 0.249 1.931 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.145 -0.715 1.303 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.599 0.645 3.330 1.00 0.00 C ATOM 0 H LEU A 92 -2.965 1.095 0.611 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.002 1.060 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.486 -0.685 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.797 -1.275 2.584 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.109 1.148 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.133 -0.255 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.832 -0.950 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.184 -1.632 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.595 1.086 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.624 -0.239 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.900 1.372 3.744 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.970 -0.112 4.159 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.838 -0.864 4.687 1.00 0.00 C ATOM 1407 C VAL A 93 -1.273 -1.793 5.815 1.00 0.00 C ATOM 1408 O VAL A 93 -2.065 -1.411 6.677 1.00 0.00 O ATOM 1409 CB VAL A 93 0.266 0.076 5.207 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.795 0.952 4.082 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.256 0.925 6.356 1.00 0.00 C ATOM 0 H VAL A 93 -2.351 0.583 4.801 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.441 -1.458 3.864 1.00 0.00 H new ATOM 0 HB VAL A 93 1.091 -0.531 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.574 1.609 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.209 0.322 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.018 1.553 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.537 1.583 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.099 1.525 6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.581 0.276 7.169 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.750 -3.014 5.803 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.084 -3.999 6.826 1.00 0.00 C ATOM 1423 C LEU A 94 0.044 -4.128 7.846 1.00 0.00 C ATOM 1424 O LEU A 94 1.177 -3.722 7.588 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.362 -5.358 6.182 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.117 -6.368 7.046 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.496 -5.837 7.407 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.230 -7.705 6.328 1.00 0.00 C ATOM 0 H LEU A 94 -0.093 -3.346 5.097 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.981 -3.659 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.932 -5.194 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.410 -5.800 5.889 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.556 -6.519 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.018 -6.570 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.393 -4.905 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.066 -5.656 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.770 -8.412 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.768 -7.570 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.232 -8.092 6.121 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.275 -4.696 9.003 1.00 0.00 N ATOM 1441 CA ASP A 95 0.711 -4.882 10.061 1.00 0.00 C ATOM 1442 C ASP A 95 1.681 -6.005 9.708 1.00 0.00 C ATOM 1443 O ASP A 95 1.279 -7.049 9.196 1.00 0.00 O ATOM 1444 CB ASP A 95 0.016 -5.191 11.388 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.505 -3.942 12.073 1.00 0.00 C ATOM 1446 OD1 ASP A 95 0.267 -3.315 12.829 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -1.682 -3.592 11.852 1.00 0.00 O ATOM 0 H ASP A 95 -1.209 -5.036 9.233 1.00 0.00 H new ATOM 0 HA ASP A 95 1.276 -3.956 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.812 -5.877 11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.715 -5.701 12.051 1.00 0.00 H new ATOM 1452 N GLY A 96 2.963 -5.783 9.985 1.00 0.00 N ATOM 1453 CA GLY A 96 3.971 -6.784 9.689 1.00 0.00 C ATOM 1454 C GLY A 96 3.485 -8.194 9.963 1.00 0.00 C ATOM 1455 O GLY A 96 3.246 -8.966 9.035 1.00 0.00 O ATOM 0 H GLY A 96 3.321 -4.927 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.265 -6.701 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.861 -6.587 10.287 1.00 0.00 H new ATOM 1459 N ASP A 97 3.341 -8.531 11.240 1.00 0.00 N ATOM 1460 CA ASP A 97 2.882 -9.858 11.633 1.00 0.00 C ATOM 1461 C ASP A 97 1.648 -10.265 10.834 1.00 0.00 C ATOM 1462 O ASP A 97 1.638 -11.306 10.176 1.00 0.00 O ATOM 1463 CB ASP A 97 2.568 -9.889 13.130 1.00 0.00 C ATOM 1464 CG ASP A 97 2.314 -11.294 13.639 1.00 0.00 C ATOM 1465 OD1 ASP A 97 1.382 -11.950 13.128 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.045 -11.737 14.549 1.00 0.00 O ATOM 0 H ASP A 97 3.535 -7.904 12.020 1.00 0.00 H new ATOM 0 HA ASP A 97 3.680 -10.569 11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.399 -9.451 13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.693 -9.270 13.328 1.00 0.00 H new ATOM 1471 N SER A 98 0.610 -9.438 10.896 1.00 0.00 N ATOM 1472 CA SER A 98 -0.631 -9.715 10.181 1.00 0.00 C ATOM 1473 C SER A 98 -0.345 -10.216 8.769 1.00 0.00 C ATOM 1474 O SER A 98 -0.819 -11.280 8.368 1.00 0.00 O ATOM 1475 CB SER A 98 -1.501 -8.458 10.122 1.00 0.00 C ATOM 1476 OG SER A 98 -1.889 -8.044 11.420 1.00 0.00 O ATOM 0 H SER A 98 0.603 -8.571 11.433 1.00 0.00 H new ATOM 0 HA SER A 98 -1.167 -10.495 10.722 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.952 -7.655 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.388 -8.654 9.519 1.00 0.00 H new ATOM 0 HG SER A 98 -2.567 -7.340 11.350 1.00 0.00 H new ATOM 1482 N TYR A 99 0.434 -9.444 8.021 1.00 0.00 N ATOM 1483 CA TYR A 99 0.782 -9.807 6.652 1.00 0.00 C ATOM 1484 C TYR A 99 1.289 -11.244 6.582 1.00 0.00 C ATOM 1485 O TYR A 99 0.757 -12.065 5.836 1.00 0.00 O ATOM 1486 CB TYR A 99 1.844 -8.853 6.104 1.00 0.00 C ATOM 1487 CG TYR A 99 1.986 -8.905 4.599 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.757 -9.885 3.987 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.347 -7.973 3.789 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.889 -9.935 2.613 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.473 -8.017 2.414 1.00 0.00 C ATOM 1492 CZ TYR A 99 2.245 -8.999 1.831 1.00 0.00 C ATOM 1493 OH TYR A 99 2.373 -9.047 0.462 1.00 0.00 O ATOM 0 H TYR A 99 0.837 -8.563 8.339 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.118 -9.728 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.594 -7.835 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.805 -9.092 6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.262 -10.620 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.742 -7.202 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.493 -10.703 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.969 -7.286 1.799 1.00 0.00 H new ATOM 0 HH TYR A 99 1.856 -8.318 0.059 1.00 0.00 H new ATOM 1503 N GLU A 100 2.321 -11.540 7.367 1.00 0.00 N ATOM 1504 CA GLU A 100 2.900 -12.878 7.394 1.00 0.00 C ATOM 1505 C GLU A 100 1.821 -13.934 7.615 1.00 0.00 C ATOM 1506 O GLU A 100 1.696 -14.883 6.841 1.00 0.00 O ATOM 1507 CB GLU A 100 3.959 -12.977 8.494 1.00 0.00 C ATOM 1508 CG GLU A 100 5.070 -11.949 8.364 1.00 0.00 C ATOM 1509 CD GLU A 100 6.204 -12.189 9.342 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.866 -13.242 9.238 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.428 -11.322 10.213 1.00 0.00 O ATOM 0 H GLU A 100 2.772 -10.872 7.992 1.00 0.00 H new ATOM 0 HA GLU A 100 3.371 -13.062 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.476 -12.857 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.396 -13.976 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.462 -11.970 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.659 -10.953 8.527 1.00 0.00 H new ATOM 1518 N LYS A 101 1.042 -13.762 8.678 1.00 0.00 N ATOM 1519 CA LYS A 101 -0.028 -14.698 9.002 1.00 0.00 C ATOM 1520 C LYS A 101 -0.915 -14.952 7.788 1.00 0.00 C ATOM 1521 O LYS A 101 -1.249 -16.096 7.481 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.872 -14.158 10.159 1.00 0.00 C ATOM 1523 CG LYS A 101 -2.086 -15.013 10.477 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.870 -14.454 11.653 1.00 0.00 C ATOM 1525 CE LYS A 101 -2.144 -14.690 12.969 1.00 0.00 C ATOM 1526 NZ LYS A 101 -2.184 -16.122 13.375 1.00 0.00 N ATOM 0 H LYS A 101 1.132 -12.983 9.330 1.00 0.00 H new ATOM 0 HA LYS A 101 0.427 -15.642 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.247 -14.083 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.203 -13.148 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.732 -15.068 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.767 -16.030 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.029 -13.385 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.854 -14.921 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.107 -14.368 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.598 -14.079 13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.880 -16.211 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.154 -16.484 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.546 -16.673 12.766 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.291 -13.879 7.100 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.136 -13.988 5.917 1.00 0.00 C ATOM 1542 C ALA A 102 -1.493 -14.883 4.864 1.00 0.00 C ATOM 1543 O ALA A 102 -2.103 -15.846 4.397 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.417 -12.608 5.341 1.00 0.00 C ATOM 0 H ALA A 102 -1.024 -12.925 7.341 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.080 -14.444 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.049 -12.704 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.927 -11.999 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.477 -12.131 5.064 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.259 -14.559 4.492 1.00 0.00 N ATOM 1551 CA VAL A 103 0.467 -15.334 3.493 1.00 0.00 C ATOM 1552 C VAL A 103 0.461 -16.819 3.839 1.00 0.00 C ATOM 1553 O VAL A 103 0.249 -17.669 2.974 1.00 0.00 O ATOM 1554 CB VAL A 103 1.925 -14.855 3.361 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.677 -15.705 2.349 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.969 -13.385 2.972 1.00 0.00 C ATOM 0 H VAL A 103 0.259 -13.765 4.868 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.044 -15.183 2.542 1.00 0.00 H new ATOM 0 HB VAL A 103 2.415 -14.967 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.705 -15.352 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.675 -16.745 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.191 -15.628 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.007 -13.063 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.463 -13.246 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.469 -12.791 3.737 1.00 0.00 H new ATOM 1566 N LYS A 104 0.695 -17.126 5.110 1.00 0.00 N ATOM 1567 CA LYS A 104 0.715 -18.508 5.573 1.00 0.00 C ATOM 1568 C LYS A 104 -0.659 -19.152 5.423 1.00 0.00 C ATOM 1569 O LYS A 104 -0.775 -20.293 4.976 1.00 0.00 O ATOM 1570 CB LYS A 104 1.163 -18.571 7.036 1.00 0.00 C ATOM 1571 CG LYS A 104 1.198 -19.981 7.600 1.00 0.00 C ATOM 1572 CD LYS A 104 2.407 -20.752 7.099 1.00 0.00 C ATOM 1573 CE LYS A 104 3.631 -20.495 7.965 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.775 -21.368 7.582 1.00 0.00 N ATOM 0 H LYS A 104 0.874 -16.435 5.839 1.00 0.00 H new ATOM 0 HA LYS A 104 1.425 -19.061 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.156 -18.129 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.489 -17.963 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.219 -19.938 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.287 -20.509 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.182 -21.819 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.622 -20.465 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.926 -19.450 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.378 -20.666 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.589 -21.162 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.502 -22.366 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.034 -21.187 6.591 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.698 -18.414 5.799 1.00 0.00 N ATOM 1589 CA ASN A 105 -3.065 -18.913 5.704 1.00 0.00 C ATOM 1590 C ASN A 105 -3.695 -18.527 4.369 1.00 0.00 C ATOM 1591 O ASN A 105 -4.915 -18.564 4.214 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.911 -18.366 6.856 1.00 0.00 C ATOM 1593 CG ASN A 105 -3.334 -18.717 8.214 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.582 -19.682 8.351 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -3.684 -17.932 9.226 1.00 0.00 N ATOM 0 H ASN A 105 -1.619 -17.468 6.172 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.033 -20.001 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.986 -17.282 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.923 -18.763 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.327 -18.118 10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.310 -17.143 9.066 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.853 -18.158 3.409 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.327 -17.766 2.087 1.00 0.00 C ATOM 1604 C GLN A 106 -4.661 -17.032 2.183 1.00 0.00 C ATOM 1605 O GLN A 106 -5.577 -17.284 1.400 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.471 -18.995 1.188 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.160 -19.454 0.571 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.832 -18.721 -0.715 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -1.876 -17.491 -0.770 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.500 -19.473 -1.758 1.00 0.00 N ATOM 0 H GLN A 106 -1.840 -18.122 3.522 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.592 -17.090 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.895 -19.813 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.179 -18.771 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.353 -19.302 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.212 -20.524 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.476 -20.489 -1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.269 -19.035 -2.650 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.763 -16.124 3.148 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.985 -15.353 3.346 1.00 0.00 C ATOM 1621 C VAL A 107 -6.131 -14.272 2.281 1.00 0.00 C ATOM 1622 O VAL A 107 -5.253 -13.424 2.118 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.013 -14.694 4.738 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.282 -13.873 4.914 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.895 -15.749 5.828 1.00 0.00 C ATOM 0 H VAL A 107 -4.014 -15.904 3.805 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.817 -16.052 3.266 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.159 -14.021 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.285 -13.415 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.320 -13.094 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.152 -14.522 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.916 -15.267 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.728 -16.448 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.956 -16.290 5.711 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.245 -14.307 1.559 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.508 -13.329 0.509 1.00 0.00 C ATOM 1637 C ASP A 108 -7.207 -11.915 0.997 1.00 0.00 C ATOM 1638 O ASP A 108 -7.792 -11.446 1.974 1.00 0.00 O ATOM 1639 CB ASP A 108 -8.962 -13.424 0.047 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.487 -14.846 0.075 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.667 -15.783 -0.018 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.718 -15.021 0.190 1.00 0.00 O ATOM 0 H ASP A 108 -7.981 -15.002 1.681 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.853 -13.551 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.585 -12.797 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.045 -13.029 -0.966 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.290 -11.241 0.311 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.910 -9.881 0.675 1.00 0.00 C ATOM 1649 C LEU A 109 -6.761 -8.859 -0.073 1.00 0.00 C ATOM 1650 O LEU A 109 -6.982 -7.747 0.407 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.429 -9.646 0.373 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.437 -10.432 1.231 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.019 -10.246 0.713 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.535 -10.003 2.688 1.00 0.00 C ATOM 0 H LEU A 109 -5.796 -11.614 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.081 -9.756 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.248 -9.892 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.219 -8.583 0.491 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.690 -11.490 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.327 -10.813 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.957 -10.603 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.755 -9.189 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.822 -10.573 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.309 -8.940 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.544 -10.189 3.055 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.239 -9.245 -1.252 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.069 -8.365 -2.066 1.00 0.00 C ATOM 1668 C LYS A 110 -9.308 -7.919 -1.295 1.00 0.00 C ATOM 1669 O LYS A 110 -9.894 -6.879 -1.594 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.487 -9.074 -3.356 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.375 -9.164 -4.388 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.781 -10.026 -5.571 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.678 -10.095 -6.616 1.00 0.00 C ATOM 1674 NZ LYS A 110 -7.166 -10.664 -7.902 1.00 0.00 N ATOM 0 H LYS A 110 -7.066 -10.162 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.481 -7.482 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.829 -10.080 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.335 -8.546 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.119 -8.163 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.480 -9.579 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.019 -11.032 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.687 -9.622 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.279 -9.095 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.857 -10.704 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.384 -10.694 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.523 -11.628 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.932 -10.069 -8.277 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.698 -8.711 -0.302 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.867 -8.395 0.512 1.00 0.00 C ATOM 1690 C GLU A 111 -10.551 -7.286 1.510 1.00 0.00 C ATOM 1691 O GLU A 111 -11.369 -6.395 1.745 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.351 -9.643 1.255 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.653 -10.817 0.339 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.354 -11.953 1.060 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.770 -12.496 2.021 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -13.486 -12.298 0.662 1.00 0.00 O ATOM 0 H GLU A 111 -9.223 -9.575 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.658 -8.047 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.592 -9.943 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.249 -9.394 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.276 -10.477 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.722 -11.185 -0.093 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.360 -7.346 2.096 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.935 -6.347 3.070 1.00 0.00 C ATOM 1705 C LEU A 112 -9.374 -4.950 2.644 1.00 0.00 C ATOM 1706 O LEU A 112 -8.710 -4.299 1.837 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.415 -6.387 3.240 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.810 -7.756 3.552 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.292 -7.698 3.481 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.264 -8.240 4.922 1.00 0.00 C ATOM 0 H LEU A 112 -8.672 -8.076 1.913 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.408 -6.581 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.957 -6.010 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.141 -5.700 4.041 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.161 -8.466 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.879 -8.681 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.986 -7.397 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.921 -6.974 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.824 -9.216 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.943 -7.529 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.351 -8.322 4.937 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.495 -4.495 3.193 1.00 0.00 N ATOM 1723 CA ASP A 113 -11.021 -3.173 2.873 1.00 0.00 C ATOM 1724 C ASP A 113 -11.285 -2.370 4.143 1.00 0.00 C ATOM 1725 O ASP A 113 -12.335 -2.510 4.769 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.309 -3.297 2.057 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.212 -4.403 2.565 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.533 -4.399 3.772 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.598 -5.274 1.757 1.00 0.00 O ATOM 0 H ASP A 113 -11.057 -5.022 3.862 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.273 -2.646 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.847 -2.350 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.058 -3.488 1.014 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.324 -1.532 4.517 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.453 -0.709 5.714 1.00 0.00 C ATOM 1736 C GLN A 114 -11.845 -0.092 5.804 1.00 0.00 C ATOM 1737 O GLN A 114 -12.514 0.106 4.789 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.392 0.394 5.717 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.109 0.962 7.098 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.283 1.737 7.663 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.530 2.880 7.278 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -11.015 1.117 8.581 1.00 0.00 N ATOM 0 H GLN A 114 -9.448 -1.405 4.009 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.303 -1.350 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.466 -0.003 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.717 1.201 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -8.856 0.147 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.238 1.616 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -10.774 0.169 8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.818 1.589 8.997 1.00 0.00 H new TER 1751 GLN A 114