USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 772 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= -0.0793 (180deg=-0.328) USER MOD Single : A 9 SER OG : rot 87:sc= 1.3 USER MOD Single : A 11 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.0027) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.06) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.615 K(o=-0.61,f=-4.1!) USER MOD Single : A 33 THR OG1 : rot 127:sc= 0.963 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.048 X(o=0.048,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.0432 X(o=0.043,f=0) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -0.0462 F(o=-1.1,f=-0.046) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 160:sc= -0.819 USER MOD Single : A 60 HIS : no HD1:sc= -2.99 X(o=-3,f=-3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.177) USER MOD Single : A 83 SER OG : rot 180:sc= -0.101 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.840 0.564 11.806 1.00 0.00 N ATOM 2 CA MET A 1 -11.404 -0.767 11.308 1.00 0.00 C ATOM 3 C MET A 1 -12.360 -1.297 10.242 1.00 0.00 C ATOM 4 O MET A 1 -13.571 -1.363 10.459 1.00 0.00 O ATOM 5 CB MET A 1 -11.341 -1.734 12.493 1.00 0.00 C ATOM 6 CG MET A 1 -9.925 -2.066 12.932 1.00 0.00 C ATOM 7 SD MET A 1 -9.813 -3.660 13.768 1.00 0.00 S ATOM 8 CE MET A 1 -8.799 -4.578 12.610 1.00 0.00 C ATOM 0 H1 MET A 1 -11.172 0.900 12.529 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.863 1.240 11.016 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.790 0.485 12.222 1.00 0.00 H new ATOM 0 HA MET A 1 -10.420 -0.674 10.848 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.881 -1.300 13.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.856 -2.657 12.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.270 -2.070 12.061 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.563 -1.284 13.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.640 -5.588 12.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.302 -4.626 11.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.837 -4.078 12.493 1.00 0.00 H new ATOM 20 N LEU A 2 -11.809 -1.675 9.094 1.00 0.00 N ATOM 21 CA LEU A 2 -12.613 -2.199 7.997 1.00 0.00 C ATOM 22 C LEU A 2 -11.937 -3.405 7.355 1.00 0.00 C ATOM 23 O LEU A 2 -10.745 -3.640 7.556 1.00 0.00 O ATOM 24 CB LEU A 2 -12.850 -1.114 6.944 1.00 0.00 C ATOM 25 CG LEU A 2 -13.345 0.225 7.492 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.894 1.367 6.595 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.860 0.216 7.627 1.00 0.00 C ATOM 0 H LEU A 2 -10.809 -1.628 8.899 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.573 -2.516 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.919 -0.945 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.577 -1.484 6.221 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.913 0.375 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.255 2.312 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.805 1.385 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.298 1.224 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.196 1.176 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.311 0.044 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.160 -0.579 8.310 1.00 0.00 H new ATOM 39 N LYS A 3 -12.706 -4.165 6.583 1.00 0.00 N ATOM 40 CA LYS A 3 -12.184 -5.348 5.909 1.00 0.00 C ATOM 41 C LYS A 3 -11.044 -4.976 4.966 1.00 0.00 C ATOM 42 O LYS A 3 -10.847 -3.803 4.649 1.00 0.00 O ATOM 43 CB LYS A 3 -13.301 -6.049 5.132 1.00 0.00 C ATOM 44 CG LYS A 3 -13.305 -7.560 5.303 1.00 0.00 C ATOM 45 CD LYS A 3 -12.860 -8.267 4.032 1.00 0.00 C ATOM 46 CE LYS A 3 -13.770 -7.933 2.859 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.057 -9.130 2.022 1.00 0.00 N ATOM 0 H LYS A 3 -13.694 -3.983 6.408 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.796 -6.029 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.263 -5.652 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.200 -5.812 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.644 -7.836 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.307 -7.894 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.836 -7.978 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.857 -9.345 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.706 -7.518 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.303 -7.164 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.680 -8.861 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.166 -9.512 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.526 -9.855 2.602 1.00 0.00 H new ATOM 61 N LEU A 4 -10.296 -5.981 4.523 1.00 0.00 N ATOM 62 CA LEU A 4 -9.174 -5.756 3.617 1.00 0.00 C ATOM 63 C LEU A 4 -9.194 -6.755 2.463 1.00 0.00 C ATOM 64 O LEU A 4 -9.728 -7.857 2.592 1.00 0.00 O ATOM 65 CB LEU A 4 -7.850 -5.864 4.376 1.00 0.00 C ATOM 66 CG LEU A 4 -6.604 -5.500 3.565 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.654 -4.648 4.394 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.903 -6.758 3.073 1.00 0.00 C ATOM 0 H LEU A 4 -10.445 -6.958 4.776 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.269 -4.751 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.897 -5.216 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.741 -6.885 4.741 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.917 -4.918 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.775 -4.400 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.158 -3.730 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.348 -5.203 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.019 -6.481 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.604 -7.366 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.582 -7.330 2.441 1.00 0.00 H new ATOM 80 N ASN A 5 -8.610 -6.360 1.337 1.00 0.00 N ATOM 81 CA ASN A 5 -8.561 -7.221 0.160 1.00 0.00 C ATOM 82 C ASN A 5 -7.192 -7.149 -0.507 1.00 0.00 C ATOM 83 O ASN A 5 -6.291 -6.461 -0.026 1.00 0.00 O ATOM 84 CB ASN A 5 -9.650 -6.817 -0.836 1.00 0.00 C ATOM 85 CG ASN A 5 -10.310 -8.017 -1.488 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.241 -9.133 -0.975 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.951 -7.792 -2.630 1.00 0.00 N ATOM 0 H ASN A 5 -8.164 -5.451 1.214 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.735 -8.248 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.407 -6.224 -0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.216 -6.181 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.411 -8.561 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.983 -6.850 -3.020 1.00 0.00 H new ATOM 94 N LEU A 6 -7.040 -7.865 -1.617 1.00 0.00 N ATOM 95 CA LEU A 6 -5.778 -7.881 -2.348 1.00 0.00 C ATOM 96 C LEU A 6 -6.018 -8.007 -3.849 1.00 0.00 C ATOM 97 O LEU A 6 -6.808 -8.840 -4.293 1.00 0.00 O ATOM 98 CB LEU A 6 -4.899 -9.036 -1.864 1.00 0.00 C ATOM 99 CG LEU A 6 -4.385 -8.902 -0.430 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.111 -10.273 0.168 1.00 0.00 C ATOM 101 CD2 LEU A 6 -3.132 -8.041 -0.392 1.00 0.00 C ATOM 0 H LEU A 6 -7.774 -8.441 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.266 -6.937 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.467 -9.963 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.044 -9.127 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.155 -8.415 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.746 -10.158 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.031 -10.857 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.359 -10.787 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.780 -7.956 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.356 -8.500 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.361 -7.048 -0.780 1.00 0.00 H new ATOM 113 N LYS A 7 -5.330 -7.175 -4.625 1.00 0.00 N ATOM 114 CA LYS A 7 -5.469 -7.195 -6.077 1.00 0.00 C ATOM 115 C LYS A 7 -4.270 -7.876 -6.726 1.00 0.00 C ATOM 116 O LYS A 7 -3.231 -8.065 -6.091 1.00 0.00 O ATOM 117 CB LYS A 7 -5.616 -5.771 -6.616 1.00 0.00 C ATOM 118 CG LYS A 7 -7.058 -5.302 -6.712 1.00 0.00 C ATOM 119 CD LYS A 7 -7.572 -5.361 -8.143 1.00 0.00 C ATOM 120 CE LYS A 7 -8.922 -6.058 -8.225 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.900 -5.279 -9.033 1.00 0.00 N ATOM 0 H LYS A 7 -4.672 -6.480 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.366 -7.763 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.063 -5.088 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.159 -5.716 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.686 -5.923 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.135 -4.281 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.659 -4.350 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.851 -5.888 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.794 -7.047 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.317 -6.205 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.807 -5.787 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.042 -4.344 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.535 -5.161 -10.000 1.00 0.00 H new ATOM 135 N LYS A 8 -4.419 -8.244 -7.994 1.00 0.00 N ATOM 136 CA LYS A 8 -3.349 -8.905 -8.729 1.00 0.00 C ATOM 137 C LYS A 8 -2.165 -7.964 -8.932 1.00 0.00 C ATOM 138 O LYS A 8 -1.014 -8.398 -8.976 1.00 0.00 O ATOM 139 CB LYS A 8 -3.862 -9.402 -10.083 1.00 0.00 C ATOM 140 CG LYS A 8 -3.466 -10.834 -10.397 1.00 0.00 C ATOM 141 CD LYS A 8 -2.294 -10.888 -11.365 1.00 0.00 C ATOM 142 CE LYS A 8 -1.640 -12.261 -11.375 1.00 0.00 C ATOM 143 NZ LYS A 8 -0.271 -12.229 -10.797 1.00 0.00 N ATOM 0 H LYS A 8 -5.272 -8.095 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.013 -9.759 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.949 -9.323 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.481 -8.749 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.201 -11.350 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.318 -11.363 -10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.639 -10.641 -12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.557 -10.135 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.256 -12.960 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.593 -12.633 -12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.120 -13.077 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.430 -12.208 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.163 -11.379 -10.207 1.00 0.00 H new ATOM 157 N SER A 9 -2.457 -6.674 -9.054 1.00 0.00 N ATOM 158 CA SER A 9 -1.417 -5.671 -9.252 1.00 0.00 C ATOM 159 C SER A 9 -0.586 -5.491 -7.986 1.00 0.00 C ATOM 160 O SER A 9 0.628 -5.293 -8.051 1.00 0.00 O ATOM 161 CB SER A 9 -2.039 -4.334 -9.659 1.00 0.00 C ATOM 162 OG SER A 9 -3.217 -4.072 -8.917 1.00 0.00 O ATOM 0 H SER A 9 -3.405 -6.298 -9.019 1.00 0.00 H new ATOM 0 HA SER A 9 -0.761 -6.018 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.319 -3.531 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.272 -4.347 -10.724 1.00 0.00 H new ATOM 0 HG SER A 9 -2.982 -3.622 -8.079 1.00 0.00 H new ATOM 168 N PHE A 10 -1.247 -5.562 -6.836 1.00 0.00 N ATOM 169 CA PHE A 10 -0.571 -5.406 -5.554 1.00 0.00 C ATOM 170 C PHE A 10 0.518 -6.461 -5.381 1.00 0.00 C ATOM 171 O PHE A 10 1.655 -6.141 -5.035 1.00 0.00 O ATOM 172 CB PHE A 10 -1.575 -5.503 -4.405 1.00 0.00 C ATOM 173 CG PHE A 10 -0.998 -5.132 -3.070 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.575 -3.837 -2.819 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.878 -6.079 -2.065 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.043 -3.492 -1.591 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.347 -5.742 -0.835 1.00 0.00 C ATOM 178 CZ PHE A 10 0.071 -4.446 -0.597 1.00 0.00 C ATOM 0 H PHE A 10 -2.251 -5.727 -6.766 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.106 -4.420 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.423 -4.852 -4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.960 -6.522 -4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.662 -3.088 -3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.204 -7.093 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.283 -2.479 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.259 -6.490 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.486 -4.179 0.364 1.00 0.00 H new ATOM 188 N GLN A 11 0.159 -7.717 -5.620 1.00 0.00 N ATOM 189 CA GLN A 11 1.107 -8.818 -5.490 1.00 0.00 C ATOM 190 C GLN A 11 2.237 -8.686 -6.505 1.00 0.00 C ATOM 191 O GLN A 11 3.408 -8.872 -6.173 1.00 0.00 O ATOM 192 CB GLN A 11 0.391 -10.158 -5.677 1.00 0.00 C ATOM 193 CG GLN A 11 -0.808 -10.341 -4.762 1.00 0.00 C ATOM 194 CD GLN A 11 -1.724 -11.460 -5.219 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.509 -12.626 -4.892 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.753 -11.107 -5.981 1.00 0.00 N ATOM 0 H GLN A 11 -0.779 -7.998 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 11 1.537 -8.779 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.063 -10.243 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.100 -10.967 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.460 -10.551 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.372 -9.409 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.893 -10.127 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.404 -11.816 -6.320 1.00 0.00 H new ATOM 205 N LYS A 12 1.879 -8.363 -7.744 1.00 0.00 N ATOM 206 CA LYS A 12 2.863 -8.205 -8.809 1.00 0.00 C ATOM 207 C LYS A 12 3.645 -6.900 -8.661 1.00 0.00 C ATOM 208 O LYS A 12 4.611 -6.665 -9.386 1.00 0.00 O ATOM 209 CB LYS A 12 2.175 -8.244 -10.174 1.00 0.00 C ATOM 210 CG LYS A 12 1.850 -9.649 -10.653 1.00 0.00 C ATOM 211 CD LYS A 12 3.008 -10.254 -11.431 1.00 0.00 C ATOM 212 CE LYS A 12 2.520 -11.023 -12.648 1.00 0.00 C ATOM 213 NZ LYS A 12 3.429 -10.849 -13.814 1.00 0.00 N ATOM 0 H LYS A 12 0.914 -8.206 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 12 3.568 -9.033 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.253 -7.664 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.817 -7.758 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.616 -10.281 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.961 -9.623 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.688 -9.463 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.575 -10.921 -10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.443 -12.082 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.519 -10.684 -12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.062 -11.389 -14.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.482 -9.841 -14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.378 -11.195 -13.569 1.00 0.00 H new ATOM 227 N ASP A 13 3.227 -6.055 -7.723 1.00 0.00 N ATOM 228 CA ASP A 13 3.896 -4.779 -7.494 1.00 0.00 C ATOM 229 C ASP A 13 5.006 -4.923 -6.457 1.00 0.00 C ATOM 230 O ASP A 13 6.017 -4.226 -6.517 1.00 0.00 O ATOM 231 CB ASP A 13 2.886 -3.725 -7.034 1.00 0.00 C ATOM 232 CG ASP A 13 2.465 -2.796 -8.156 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.236 -1.868 -8.480 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.365 -2.999 -8.713 1.00 0.00 O ATOM 0 H ASP A 13 2.430 -6.230 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 13 4.343 -4.458 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.005 -4.223 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.321 -3.138 -6.225 1.00 0.00 H new ATOM 239 N PHE A 14 4.808 -5.832 -5.508 1.00 0.00 N ATOM 240 CA PHE A 14 5.780 -6.076 -4.459 1.00 0.00 C ATOM 241 C PHE A 14 6.763 -7.157 -4.889 1.00 0.00 C ATOM 242 O PHE A 14 7.975 -6.944 -4.884 1.00 0.00 O ATOM 243 CB PHE A 14 5.054 -6.492 -3.177 1.00 0.00 C ATOM 244 CG PHE A 14 5.541 -5.788 -1.940 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.866 -4.440 -1.972 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.663 -6.474 -0.743 1.00 0.00 C ATOM 247 CE1 PHE A 14 6.307 -3.792 -0.835 1.00 0.00 C ATOM 248 CE2 PHE A 14 6.103 -5.829 0.398 1.00 0.00 C ATOM 249 CZ PHE A 14 6.426 -4.487 0.352 1.00 0.00 C ATOM 0 H PHE A 14 3.973 -6.415 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 14 6.341 -5.161 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.988 -6.298 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.169 -7.567 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.773 -3.891 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.412 -7.524 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.559 -2.742 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.194 -6.375 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.771 -3.982 1.242 1.00 0.00 H new ATOM 259 N ASP A 15 6.232 -8.315 -5.274 1.00 0.00 N ATOM 260 CA ASP A 15 7.066 -9.427 -5.720 1.00 0.00 C ATOM 261 C ASP A 15 8.076 -8.961 -6.763 1.00 0.00 C ATOM 262 O ASP A 15 9.190 -9.480 -6.841 1.00 0.00 O ATOM 263 CB ASP A 15 6.195 -10.546 -6.298 1.00 0.00 C ATOM 264 CG ASP A 15 6.139 -11.762 -5.394 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.123 -12.006 -4.665 1.00 0.00 O ATOM 266 OD2 ASP A 15 5.109 -12.469 -5.414 1.00 0.00 O ATOM 0 H ASP A 15 5.230 -8.507 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 15 7.611 -9.811 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.185 -10.170 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.585 -10.839 -7.273 1.00 0.00 H new ATOM 271 N LYS A 16 7.677 -7.973 -7.557 1.00 0.00 N ATOM 272 CA LYS A 16 8.546 -7.426 -8.592 1.00 0.00 C ATOM 273 C LYS A 16 9.439 -6.325 -8.026 1.00 0.00 C ATOM 274 O LYS A 16 10.496 -6.026 -8.580 1.00 0.00 O ATOM 275 CB LYS A 16 7.712 -6.876 -9.748 1.00 0.00 C ATOM 276 CG LYS A 16 7.374 -7.918 -10.805 1.00 0.00 C ATOM 277 CD LYS A 16 8.496 -8.064 -11.819 1.00 0.00 C ATOM 278 CE LYS A 16 9.356 -9.285 -11.530 1.00 0.00 C ATOM 279 NZ LYS A 16 9.325 -10.265 -12.652 1.00 0.00 N ATOM 0 H LYS A 16 6.757 -7.535 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 16 9.181 -8.231 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.786 -6.460 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.254 -6.056 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.189 -8.879 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.454 -7.634 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.074 -8.144 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.118 -7.169 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.384 -8.971 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.007 -9.767 -10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.923 -11.082 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.348 -10.585 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.682 -9.813 -13.518 1.00 0.00 H new ATOM 293 N LEU A 17 9.012 -5.728 -6.914 1.00 0.00 N ATOM 294 CA LEU A 17 9.778 -4.669 -6.275 1.00 0.00 C ATOM 295 C LEU A 17 10.848 -5.264 -5.372 1.00 0.00 C ATOM 296 O LEU A 17 12.017 -4.887 -5.443 1.00 0.00 O ATOM 297 CB LEU A 17 8.855 -3.759 -5.459 1.00 0.00 C ATOM 298 CG LEU A 17 8.659 -2.353 -6.030 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.653 -1.575 -5.196 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.986 -1.613 -6.091 1.00 0.00 C ATOM 0 H LEU A 17 8.140 -5.962 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 17 10.260 -4.075 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.880 -4.239 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.257 -3.672 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 17 8.269 -2.444 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.526 -0.577 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.696 -2.096 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.016 -1.493 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.828 -0.615 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.404 -1.532 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.679 -2.161 -6.730 1.00 0.00 H new ATOM 312 N LEU A 18 10.437 -6.203 -4.523 1.00 0.00 N ATOM 313 CA LEU A 18 11.357 -6.861 -3.598 1.00 0.00 C ATOM 314 C LEU A 18 12.634 -7.315 -4.309 1.00 0.00 C ATOM 315 O LEU A 18 13.731 -7.201 -3.763 1.00 0.00 O ATOM 316 CB LEU A 18 10.682 -8.069 -2.945 1.00 0.00 C ATOM 317 CG LEU A 18 9.761 -7.758 -1.762 1.00 0.00 C ATOM 318 CD1 LEU A 18 10.523 -7.033 -0.668 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.558 -6.940 -2.209 1.00 0.00 C ATOM 0 H LEU A 18 9.472 -6.526 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 18 11.627 -6.135 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.102 -8.592 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.458 -8.756 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 18 9.397 -8.703 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.851 -6.821 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.345 -7.659 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.921 -6.097 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.920 -6.733 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.898 -6.000 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.993 -7.501 -2.954 1.00 0.00 H new ATOM 331 N LEU A 19 12.481 -7.840 -5.522 1.00 0.00 N ATOM 332 CA LEU A 19 13.621 -8.323 -6.299 1.00 0.00 C ATOM 333 C LEU A 19 14.226 -7.220 -7.171 1.00 0.00 C ATOM 334 O LEU A 19 15.201 -7.454 -7.886 1.00 0.00 O ATOM 335 CB LEU A 19 13.197 -9.505 -7.175 1.00 0.00 C ATOM 336 CG LEU A 19 13.605 -10.881 -6.648 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.713 -11.964 -7.235 1.00 0.00 C ATOM 338 CD2 LEU A 19 15.066 -11.160 -6.968 1.00 0.00 C ATOM 0 H LEU A 19 11.580 -7.942 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 19 14.386 -8.646 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.113 -9.483 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.624 -9.372 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 19 13.482 -10.886 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.019 -12.936 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.677 -11.772 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.804 -11.961 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.341 -12.143 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.213 -11.136 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 15.692 -10.401 -6.500 1.00 0.00 H new ATOM 350 N ASN A 20 13.649 -6.024 -7.113 1.00 0.00 N ATOM 351 CA ASN A 20 14.142 -4.901 -7.904 1.00 0.00 C ATOM 352 C ASN A 20 15.036 -3.996 -7.061 1.00 0.00 C ATOM 353 O ASN A 20 15.060 -2.778 -7.251 1.00 0.00 O ATOM 354 CB ASN A 20 12.969 -4.101 -8.476 1.00 0.00 C ATOM 355 CG ASN A 20 12.907 -4.165 -9.990 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.633 -3.167 -10.656 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.160 -5.346 -10.544 1.00 0.00 N ATOM 0 H ASN A 20 12.842 -5.807 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 20 14.735 -5.297 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.036 -4.482 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.056 -3.061 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.131 -5.450 -11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.383 -6.148 -9.955 1.00 0.00 H new ATOM 364 N GLY A 21 15.767 -4.597 -6.128 1.00 0.00 N ATOM 365 CA GLY A 21 16.650 -3.829 -5.270 1.00 0.00 C ATOM 366 C GLY A 21 15.922 -3.229 -4.084 1.00 0.00 C ATOM 367 O GLY A 21 16.367 -2.233 -3.512 1.00 0.00 O ATOM 0 H GLY A 21 15.764 -5.601 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.455 -4.472 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 21 17.113 -3.031 -5.850 1.00 0.00 H new ATOM 371 N PHE A 22 14.798 -3.834 -3.716 1.00 0.00 N ATOM 372 CA PHE A 22 14.002 -3.355 -2.593 1.00 0.00 C ATOM 373 C PHE A 22 14.141 -4.292 -1.395 1.00 0.00 C ATOM 374 O PHE A 22 13.746 -5.456 -1.456 1.00 0.00 O ATOM 375 CB PHE A 22 12.533 -3.232 -3.004 1.00 0.00 C ATOM 376 CG PHE A 22 11.614 -2.871 -1.875 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.160 -3.845 -1.006 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.201 -1.560 -1.686 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.311 -3.524 0.036 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.352 -1.232 -0.648 1.00 0.00 C ATOM 381 CZ PHE A 22 9.907 -2.215 0.215 1.00 0.00 C ATOM 0 H PHE A 22 14.417 -4.659 -4.180 1.00 0.00 H new ATOM 0 HA PHE A 22 14.370 -2.371 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.447 -2.477 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 22 12.207 -4.178 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.473 -4.870 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.547 -0.788 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.964 -4.294 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.036 -0.208 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.244 -1.960 1.029 1.00 0.00 H new ATOM 391 N ASP A 23 14.712 -3.775 -0.310 1.00 0.00 N ATOM 392 CA ASP A 23 14.912 -4.561 0.903 1.00 0.00 C ATOM 393 C ASP A 23 13.599 -5.166 1.391 1.00 0.00 C ATOM 394 O ASP A 23 12.535 -4.566 1.243 1.00 0.00 O ATOM 395 CB ASP A 23 15.521 -3.691 2.003 1.00 0.00 C ATOM 396 CG ASP A 23 16.372 -4.491 2.969 1.00 0.00 C ATOM 397 OD1 ASP A 23 17.262 -5.234 2.504 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.149 -4.375 4.192 1.00 0.00 O ATOM 0 H ASP A 23 15.045 -2.813 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 23 15.597 -5.374 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.130 -2.909 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.722 -3.194 2.553 1.00 0.00 H new ATOM 403 N ASP A 24 13.683 -6.359 1.972 1.00 0.00 N ATOM 404 CA ASP A 24 12.503 -7.047 2.482 1.00 0.00 C ATOM 405 C ASP A 24 12.331 -6.804 3.980 1.00 0.00 C ATOM 406 O ASP A 24 11.214 -6.812 4.494 1.00 0.00 O ATOM 407 CB ASP A 24 12.605 -8.548 2.207 1.00 0.00 C ATOM 408 CG ASP A 24 13.892 -9.147 2.737 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.916 -9.551 3.919 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.876 -9.213 1.971 1.00 0.00 O ATOM 0 H ASP A 24 14.557 -6.869 2.101 1.00 0.00 H new ATOM 0 HA ASP A 24 11.630 -6.646 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.756 -9.057 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.541 -8.723 1.133 1.00 0.00 H new ATOM 415 N SER A 25 13.446 -6.591 4.673 1.00 0.00 N ATOM 416 CA SER A 25 13.417 -6.349 6.113 1.00 0.00 C ATOM 417 C SER A 25 12.546 -5.143 6.450 1.00 0.00 C ATOM 418 O SER A 25 11.797 -5.159 7.428 1.00 0.00 O ATOM 419 CB SER A 25 14.836 -6.132 6.641 1.00 0.00 C ATOM 420 OG SER A 25 15.567 -7.346 6.656 1.00 0.00 O ATOM 0 H SER A 25 14.380 -6.581 4.262 1.00 0.00 H new ATOM 0 HA SER A 25 12.986 -7.227 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.351 -5.401 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.793 -5.718 7.648 1.00 0.00 H new ATOM 0 HG SER A 25 16.471 -7.179 6.996 1.00 0.00 H new ATOM 426 N VAL A 26 12.648 -4.098 5.635 1.00 0.00 N ATOM 427 CA VAL A 26 11.870 -2.883 5.846 1.00 0.00 C ATOM 428 C VAL A 26 10.409 -3.084 5.453 1.00 0.00 C ATOM 429 O VAL A 26 9.519 -2.413 5.976 1.00 0.00 O ATOM 430 CB VAL A 26 12.452 -1.699 5.048 1.00 0.00 C ATOM 431 CG1 VAL A 26 12.401 -1.978 3.553 1.00 0.00 C ATOM 432 CG2 VAL A 26 11.713 -0.413 5.384 1.00 0.00 C ATOM 0 H VAL A 26 13.263 -4.069 4.822 1.00 0.00 H new ATOM 0 HA VAL A 26 11.924 -2.655 6.911 1.00 0.00 H new ATOM 0 HB VAL A 26 13.497 -1.576 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.817 -1.129 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.983 -2.872 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.366 -2.133 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.138 0.411 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.658 -0.523 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.813 -0.204 6.449 1.00 0.00 H new ATOM 442 N LEU A 27 10.166 -4.007 4.528 1.00 0.00 N ATOM 443 CA LEU A 27 8.812 -4.290 4.069 1.00 0.00 C ATOM 444 C LEU A 27 7.928 -4.747 5.228 1.00 0.00 C ATOM 445 O LEU A 27 6.760 -4.370 5.317 1.00 0.00 O ATOM 446 CB LEU A 27 8.836 -5.349 2.954 1.00 0.00 C ATOM 447 CG LEU A 27 8.530 -6.787 3.389 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.029 -6.987 3.561 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.089 -7.779 2.379 1.00 0.00 C ATOM 0 H LEU A 27 10.889 -4.571 4.082 1.00 0.00 H new ATOM 0 HA LEU A 27 8.388 -3.371 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.115 -5.060 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.820 -5.333 2.486 1.00 0.00 H new ATOM 0 HG LEU A 27 9.012 -6.965 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.832 -8.014 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.655 -6.301 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.525 -6.790 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.863 -8.795 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.636 -7.600 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.169 -7.654 2.305 1.00 0.00 H new ATOM 461 N ASN A 28 8.493 -5.565 6.111 1.00 0.00 N ATOM 462 CA ASN A 28 7.757 -6.080 7.263 1.00 0.00 C ATOM 463 C ASN A 28 7.066 -4.951 8.020 1.00 0.00 C ATOM 464 O ASN A 28 5.849 -4.959 8.190 1.00 0.00 O ATOM 465 CB ASN A 28 8.700 -6.835 8.201 1.00 0.00 C ATOM 466 CG ASN A 28 7.951 -7.681 9.214 1.00 0.00 C ATOM 467 OD1 ASN A 28 6.939 -7.256 9.769 1.00 0.00 O ATOM 468 ND2 ASN A 28 8.450 -8.887 9.459 1.00 0.00 N ATOM 0 H ASN A 28 9.459 -5.886 6.051 1.00 0.00 H new ATOM 0 HA ASN A 28 6.994 -6.766 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.358 -7.475 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.335 -6.121 8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.991 -9.502 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.292 -9.198 8.975 1.00 0.00 H new ATOM 475 N GLU A 29 7.852 -3.977 8.469 1.00 0.00 N ATOM 476 CA GLU A 29 7.318 -2.837 9.208 1.00 0.00 C ATOM 477 C GLU A 29 6.160 -2.172 8.464 1.00 0.00 C ATOM 478 O GLU A 29 5.366 -1.445 9.061 1.00 0.00 O ATOM 479 CB GLU A 29 8.424 -1.812 9.464 1.00 0.00 C ATOM 480 CG GLU A 29 9.442 -2.260 10.500 1.00 0.00 C ATOM 481 CD GLU A 29 10.261 -1.110 11.050 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.668 -0.204 11.674 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.494 -1.113 10.858 1.00 0.00 O ATOM 0 H GLU A 29 8.863 -3.954 8.334 1.00 0.00 H new ATOM 0 HA GLU A 29 6.937 -3.210 10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.940 -1.605 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.972 -0.876 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.925 -2.757 11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.110 -2.995 10.052 1.00 0.00 H new ATOM 490 N VAL A 30 6.070 -2.414 7.159 1.00 0.00 N ATOM 491 CA VAL A 30 5.015 -1.826 6.342 1.00 0.00 C ATOM 492 C VAL A 30 3.766 -2.706 6.311 1.00 0.00 C ATOM 493 O VAL A 30 2.752 -2.385 6.932 1.00 0.00 O ATOM 494 CB VAL A 30 5.502 -1.590 4.900 1.00 0.00 C ATOM 495 CG1 VAL A 30 4.396 -0.994 4.042 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.734 -0.699 4.892 1.00 0.00 C ATOM 0 H VAL A 30 6.716 -3.014 6.645 1.00 0.00 H new ATOM 0 HA VAL A 30 4.758 -0.871 6.800 1.00 0.00 H new ATOM 0 HB VAL A 30 5.774 -2.554 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.766 -0.837 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.547 -1.677 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.081 -0.040 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.064 -0.543 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.491 0.262 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.532 -1.176 5.461 1.00 0.00 H new ATOM 506 N ILE A 31 3.842 -3.803 5.569 1.00 0.00 N ATOM 507 CA ILE A 31 2.720 -4.724 5.429 1.00 0.00 C ATOM 508 C ILE A 31 2.139 -5.132 6.787 1.00 0.00 C ATOM 509 O ILE A 31 0.922 -5.148 6.964 1.00 0.00 O ATOM 510 CB ILE A 31 3.137 -5.980 4.625 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.983 -5.713 3.126 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.320 -7.201 5.032 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.890 -4.616 2.613 1.00 0.00 C ATOM 0 H ILE A 31 4.676 -4.079 5.051 1.00 0.00 H new ATOM 0 HA ILE A 31 1.939 -4.196 4.881 1.00 0.00 H new ATOM 0 HB ILE A 31 4.182 -6.193 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.191 -6.632 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.947 -5.445 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.639 -8.064 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.473 -7.404 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.263 -7.009 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.728 -4.480 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.667 -3.685 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.930 -4.891 2.790 1.00 0.00 H new ATOM 525 N LEU A 32 3.007 -5.469 7.738 1.00 0.00 N ATOM 526 CA LEU A 32 2.549 -5.883 9.063 1.00 0.00 C ATOM 527 C LEU A 32 1.679 -4.804 9.705 1.00 0.00 C ATOM 528 O LEU A 32 0.728 -5.111 10.422 1.00 0.00 O ATOM 529 CB LEU A 32 3.746 -6.240 9.963 1.00 0.00 C ATOM 530 CG LEU A 32 3.973 -5.338 11.183 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.977 -5.973 12.133 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.445 -3.956 10.751 1.00 0.00 C ATOM 0 H LEU A 32 4.020 -5.464 7.619 1.00 0.00 H new ATOM 0 HA LEU A 32 1.935 -6.776 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.617 -7.264 10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.649 -6.224 9.353 1.00 0.00 H new ATOM 0 HG LEU A 32 3.024 -5.225 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.127 -5.321 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.598 -6.938 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.926 -6.116 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.600 -3.333 11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.382 -4.047 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.691 -3.498 10.110 1.00 0.00 H new ATOM 544 N THR A 33 2.002 -3.543 9.441 1.00 0.00 N ATOM 545 CA THR A 33 1.238 -2.434 9.999 1.00 0.00 C ATOM 546 C THR A 33 -0.158 -2.374 9.388 1.00 0.00 C ATOM 547 O THR A 33 -1.099 -1.881 10.012 1.00 0.00 O ATOM 548 CB THR A 33 1.968 -1.111 9.763 1.00 0.00 C ATOM 549 OG1 THR A 33 3.266 -1.144 10.332 1.00 0.00 O ATOM 550 CG2 THR A 33 1.244 0.084 10.345 1.00 0.00 C ATOM 0 H THR A 33 2.783 -3.264 8.847 1.00 0.00 H new ATOM 0 HA THR A 33 1.140 -2.598 11.072 1.00 0.00 H new ATOM 0 HB THR A 33 2.014 -0.997 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.927 -0.893 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.815 0.990 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.257 0.168 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.137 -0.044 11.422 1.00 0.00 H new ATOM 558 N LEU A 34 -0.284 -2.873 8.164 1.00 0.00 N ATOM 559 CA LEU A 34 -1.562 -2.872 7.464 1.00 0.00 C ATOM 560 C LEU A 34 -2.353 -4.147 7.746 1.00 0.00 C ATOM 561 O LEU A 34 -3.581 -4.158 7.650 1.00 0.00 O ATOM 562 CB LEU A 34 -1.332 -2.725 5.959 1.00 0.00 C ATOM 563 CG LEU A 34 -0.469 -1.530 5.552 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.155 -1.578 4.064 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.166 -0.226 5.910 1.00 0.00 C ATOM 0 H LEU A 34 0.485 -3.284 7.635 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.145 -2.026 7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.863 -3.636 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.300 -2.640 5.465 1.00 0.00 H new ATOM 0 HG LEU A 34 0.471 -1.581 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.460 -0.719 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.385 -2.497 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.084 -1.552 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.539 0.615 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.121 -0.168 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.338 -0.189 6.986 1.00 0.00 H new ATOM 577 N ARG A 35 -1.648 -5.224 8.080 1.00 0.00 N ATOM 578 CA ARG A 35 -2.293 -6.503 8.357 1.00 0.00 C ATOM 579 C ARG A 35 -2.343 -6.806 9.854 1.00 0.00 C ATOM 580 O ARG A 35 -2.506 -7.958 10.251 1.00 0.00 O ATOM 581 CB ARG A 35 -1.564 -7.631 7.628 1.00 0.00 C ATOM 582 CG ARG A 35 -1.366 -7.369 6.143 1.00 0.00 C ATOM 583 CD ARG A 35 -1.431 -8.657 5.338 1.00 0.00 C ATOM 584 NE ARG A 35 -2.656 -9.407 5.605 1.00 0.00 N ATOM 585 CZ ARG A 35 -2.878 -10.644 5.168 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.961 -11.274 4.443 1.00 0.00 N ATOM 587 NH2 ARG A 35 -4.020 -11.253 5.455 1.00 0.00 N ATOM 0 H ARG A 35 -0.632 -5.236 8.165 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.319 -6.434 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.591 -7.784 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.126 -8.556 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.131 -6.678 5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.402 -6.886 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.373 -8.424 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.567 -9.277 5.576 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.384 -8.956 6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.081 -10.810 4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.137 -12.222 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.728 -10.773 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.190 -12.201 5.120 1.00 0.00 H new ATOM 601 N LYS A 36 -2.208 -5.776 10.686 1.00 0.00 N ATOM 602 CA LYS A 36 -2.245 -5.967 12.134 1.00 0.00 C ATOM 603 C LYS A 36 -3.447 -5.261 12.752 1.00 0.00 C ATOM 604 O LYS A 36 -4.258 -5.888 13.431 1.00 0.00 O ATOM 605 CB LYS A 36 -0.953 -5.453 12.773 1.00 0.00 C ATOM 606 CG LYS A 36 0.116 -6.524 12.929 1.00 0.00 C ATOM 607 CD LYS A 36 0.615 -6.619 14.363 1.00 0.00 C ATOM 608 CE LYS A 36 2.060 -6.158 14.484 1.00 0.00 C ATOM 609 NZ LYS A 36 2.157 -4.709 14.807 1.00 0.00 N ATOM 0 H LYS A 36 -2.073 -4.810 10.387 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.338 -7.036 12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.555 -4.640 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.183 -5.035 13.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.288 -7.488 12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.953 -6.302 12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.017 -6.011 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.530 -7.648 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.562 -6.737 15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.584 -6.357 13.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.158 -4.436 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.701 -4.154 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.680 -4.522 15.712 1.00 0.00 H new ATOM 623 N LYS A 37 -3.552 -3.953 12.502 1.00 0.00 N ATOM 624 CA LYS A 37 -4.653 -3.125 13.017 1.00 0.00 C ATOM 625 C LYS A 37 -4.202 -1.678 13.210 1.00 0.00 C ATOM 626 O LYS A 37 -5.027 -0.765 13.274 1.00 0.00 O ATOM 627 CB LYS A 37 -5.190 -3.659 14.351 1.00 0.00 C ATOM 628 CG LYS A 37 -4.104 -3.950 15.376 1.00 0.00 C ATOM 629 CD LYS A 37 -4.013 -2.847 16.419 1.00 0.00 C ATOM 630 CE LYS A 37 -3.401 -3.355 17.714 1.00 0.00 C ATOM 631 NZ LYS A 37 -4.404 -4.051 18.568 1.00 0.00 N ATOM 0 H LYS A 37 -2.878 -3.436 11.938 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.450 -3.166 12.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.886 -2.932 14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.756 -4.572 14.165 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.311 -4.901 15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.144 -4.055 14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.413 -2.025 16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.008 -2.449 16.617 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.583 -4.038 17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.973 -2.518 18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.946 -4.382 19.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.172 -3.392 18.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.794 -4.865 18.052 1.00 0.00 H new ATOM 645 N GLU A 38 -2.891 -1.473 13.310 1.00 0.00 N ATOM 646 CA GLU A 38 -2.339 -0.137 13.504 1.00 0.00 C ATOM 647 C GLU A 38 -2.773 0.806 12.381 1.00 0.00 C ATOM 648 O GLU A 38 -2.489 0.558 11.210 1.00 0.00 O ATOM 649 CB GLU A 38 -0.812 -0.202 13.571 1.00 0.00 C ATOM 650 CG GLU A 38 -0.219 0.581 14.732 1.00 0.00 C ATOM 651 CD GLU A 38 1.076 1.278 14.366 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.014 2.340 13.711 1.00 0.00 O ATOM 653 OE2 GLU A 38 2.152 0.762 14.734 1.00 0.00 O ATOM 0 H GLU A 38 -2.193 -2.215 13.260 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.723 0.254 14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.504 -1.245 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.399 0.180 12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.942 1.322 15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.039 -0.096 15.567 1.00 0.00 H new ATOM 660 N PRO A 39 -3.468 1.907 12.724 1.00 0.00 N ATOM 661 CA PRO A 39 -3.933 2.882 11.732 1.00 0.00 C ATOM 662 C PRO A 39 -2.789 3.717 11.167 1.00 0.00 C ATOM 663 O PRO A 39 -1.631 3.531 11.534 1.00 0.00 O ATOM 664 CB PRO A 39 -4.897 3.763 12.528 1.00 0.00 C ATOM 665 CG PRO A 39 -4.411 3.677 13.933 1.00 0.00 C ATOM 666 CD PRO A 39 -3.853 2.289 14.096 1.00 0.00 C ATOM 0 HA PRO A 39 -4.390 2.402 10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.885 4.791 12.167 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.923 3.407 12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.647 4.430 14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.223 3.856 14.638 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.997 2.278 14.771 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.594 1.605 14.510 1.00 0.00 H new ATOM 674 N LEU A 40 -3.125 4.637 10.269 1.00 0.00 N ATOM 675 CA LEU A 40 -2.125 5.502 9.653 1.00 0.00 C ATOM 676 C LEU A 40 -2.464 6.971 9.881 1.00 0.00 C ATOM 677 O LEU A 40 -3.586 7.407 9.624 1.00 0.00 O ATOM 678 CB LEU A 40 -2.026 5.213 8.154 1.00 0.00 C ATOM 679 CG LEU A 40 -1.938 3.727 7.787 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.166 3.294 7.000 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.668 3.443 6.998 1.00 0.00 C ATOM 0 H LEU A 40 -4.080 4.803 9.952 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.162 5.295 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.896 5.644 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.148 5.723 7.758 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.903 3.149 8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.083 2.236 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.060 3.456 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.236 3.879 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.625 2.383 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.670 4.033 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.201 3.709 7.599 1.00 0.00 H new ATOM 693 N ASP A 41 -1.487 7.729 10.367 1.00 0.00 N ATOM 694 CA ASP A 41 -1.681 9.150 10.633 1.00 0.00 C ATOM 695 C ASP A 41 -2.124 9.890 9.373 1.00 0.00 C ATOM 696 O ASP A 41 -1.916 9.411 8.259 1.00 0.00 O ATOM 697 CB ASP A 41 -0.389 9.768 11.172 1.00 0.00 C ATOM 698 CG ASP A 41 -0.221 9.546 12.663 1.00 0.00 C ATOM 699 OD1 ASP A 41 0.328 8.493 13.047 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.636 10.428 13.445 1.00 0.00 O ATOM 0 H ASP A 41 -0.552 7.383 10.585 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.467 9.248 11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.463 9.339 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.387 10.838 10.964 1.00 0.00 H new ATOM 705 N PRO A 42 -2.742 11.073 9.536 1.00 0.00 N ATOM 706 CA PRO A 42 -3.215 11.879 8.405 1.00 0.00 C ATOM 707 C PRO A 42 -2.068 12.499 7.610 1.00 0.00 C ATOM 708 O PRO A 42 -2.279 13.046 6.528 1.00 0.00 O ATOM 709 CB PRO A 42 -4.051 12.972 9.075 1.00 0.00 C ATOM 710 CG PRO A 42 -3.484 13.095 10.446 1.00 0.00 C ATOM 711 CD PRO A 42 -3.027 11.715 10.833 1.00 0.00 C ATOM 0 HA PRO A 42 -3.769 11.280 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.980 13.914 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.106 12.700 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.653 13.800 10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.232 13.468 11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.142 11.748 11.468 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.797 11.177 11.387 1.00 0.00 H new ATOM 719 N GLN A 43 -0.854 12.408 8.149 1.00 0.00 N ATOM 720 CA GLN A 43 0.319 12.960 7.481 1.00 0.00 C ATOM 721 C GLN A 43 0.946 11.943 6.527 1.00 0.00 C ATOM 722 O GLN A 43 2.038 12.165 6.003 1.00 0.00 O ATOM 723 CB GLN A 43 1.354 13.407 8.515 1.00 0.00 C ATOM 724 CG GLN A 43 1.766 12.306 9.479 1.00 0.00 C ATOM 725 CD GLN A 43 3.254 12.016 9.435 1.00 0.00 C ATOM 726 OE1 GLN A 43 4.031 12.580 10.205 1.00 0.00 O ATOM 727 NE2 GLN A 43 3.659 11.132 8.531 1.00 0.00 N ATOM 0 H GLN A 43 -0.659 11.958 9.044 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.005 13.821 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.239 13.774 7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.949 14.244 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.486 12.593 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.215 11.396 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.980 10.688 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.649 10.897 8.455 1.00 0.00 H new ATOM 736 N PHE A 44 0.251 10.830 6.301 1.00 0.00 N ATOM 737 CA PHE A 44 0.748 9.790 5.407 1.00 0.00 C ATOM 738 C PHE A 44 0.295 10.033 3.966 1.00 0.00 C ATOM 739 O PHE A 44 0.487 9.185 3.098 1.00 0.00 O ATOM 740 CB PHE A 44 0.268 8.415 5.879 1.00 0.00 C ATOM 741 CG PHE A 44 1.068 7.859 7.023 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.343 8.636 8.136 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.544 6.558 6.983 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.080 8.125 9.189 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.281 6.043 8.032 1.00 0.00 C ATOM 746 CZ PHE A 44 2.548 6.828 9.137 1.00 0.00 C ATOM 0 H PHE A 44 -0.655 10.627 6.724 1.00 0.00 H new ATOM 0 HA PHE A 44 1.837 9.820 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.777 8.488 6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.312 7.717 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.978 9.651 8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.336 5.940 6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.289 8.741 10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.648 5.028 7.988 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.122 6.427 9.959 1.00 0.00 H new ATOM 756 N GLN A 45 -0.304 11.196 3.719 1.00 0.00 N ATOM 757 CA GLN A 45 -0.777 11.542 2.384 1.00 0.00 C ATOM 758 C GLN A 45 -1.820 10.539 1.899 1.00 0.00 C ATOM 759 O GLN A 45 -1.828 10.153 0.731 1.00 0.00 O ATOM 760 CB GLN A 45 0.395 11.591 1.403 1.00 0.00 C ATOM 761 CG GLN A 45 1.199 12.879 1.481 1.00 0.00 C ATOM 762 CD GLN A 45 2.649 12.642 1.853 1.00 0.00 C ATOM 763 OE1 GLN A 45 3.498 12.425 0.988 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.942 12.684 3.147 1.00 0.00 N ATOM 0 H GLN A 45 -0.472 11.912 4.425 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.242 12.527 2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.057 10.747 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.015 11.471 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.154 13.389 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.744 13.543 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.207 12.867 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.902 12.533 3.458 1.00 0.00 H new ATOM 773 N ASP A 46 -2.697 10.122 2.806 1.00 0.00 N ATOM 774 CA ASP A 46 -3.745 9.164 2.469 1.00 0.00 C ATOM 775 C ASP A 46 -4.931 9.865 1.814 1.00 0.00 C ATOM 776 O ASP A 46 -5.988 10.022 2.426 1.00 0.00 O ATOM 777 CB ASP A 46 -4.204 8.420 3.725 1.00 0.00 C ATOM 778 CG ASP A 46 -4.730 9.358 4.792 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.965 10.240 5.238 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.907 9.212 5.182 1.00 0.00 O ATOM 0 H ASP A 46 -2.704 10.431 3.778 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.335 8.446 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.983 7.706 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.370 7.846 4.129 1.00 0.00 H new ATOM 785 N HIS A 47 -4.750 10.282 0.565 1.00 0.00 N ATOM 786 CA HIS A 47 -5.805 10.965 -0.174 1.00 0.00 C ATOM 787 C HIS A 47 -6.012 10.324 -1.542 1.00 0.00 C ATOM 788 O HIS A 47 -5.246 9.453 -1.952 1.00 0.00 O ATOM 789 CB HIS A 47 -5.463 12.446 -0.340 1.00 0.00 C ATOM 790 CG HIS A 47 -4.087 12.686 -0.880 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.275 11.894 -1.619 1.00 0.00 N flip ATOM 792 CD2 HIS A 47 -3.390 13.859 -0.672 1.00 0.00 C flip ATOM 793 CE1 HIS A 47 -2.116 12.597 -1.846 1.00 0.00 C flip ATOM 794 NE2 HIS A 47 -2.212 13.779 -1.264 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.882 10.159 0.043 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.730 10.874 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.192 12.906 -1.007 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.557 12.943 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.751 14.709 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.265 12.241 -2.408 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.497 14.507 -1.271 1.00 0.00 H new ATOM 803 N ALA A 48 -7.054 10.761 -2.243 1.00 0.00 N ATOM 804 CA ALA A 48 -7.363 10.229 -3.565 1.00 0.00 C ATOM 805 C ALA A 48 -6.505 10.892 -4.637 1.00 0.00 C ATOM 806 O ALA A 48 -6.358 12.114 -4.662 1.00 0.00 O ATOM 807 CB ALA A 48 -8.839 10.418 -3.877 1.00 0.00 C ATOM 0 H ALA A 48 -7.698 11.482 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.137 9.163 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.056 10.016 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.438 9.893 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.082 11.480 -3.855 1.00 0.00 H new ATOM 813 N LEU A 49 -5.939 10.077 -5.523 1.00 0.00 N ATOM 814 CA LEU A 49 -5.095 10.584 -6.598 1.00 0.00 C ATOM 815 C LEU A 49 -5.942 11.069 -7.771 1.00 0.00 C ATOM 816 O LEU A 49 -7.168 10.939 -7.762 1.00 0.00 O ATOM 817 CB LEU A 49 -4.125 9.499 -7.068 1.00 0.00 C ATOM 818 CG LEU A 49 -3.175 8.969 -5.993 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.677 7.580 -6.357 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.006 9.923 -5.800 1.00 0.00 C ATOM 0 H LEU A 49 -6.050 9.063 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.524 11.428 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.703 8.664 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.532 9.896 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.723 8.900 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.002 7.220 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.525 6.901 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.146 7.622 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.340 9.531 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.459 10.023 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.380 10.899 -5.492 1.00 0.00 H new ATOM 832 N LYS A 50 -5.282 11.628 -8.781 1.00 0.00 N ATOM 833 CA LYS A 50 -5.973 12.132 -9.962 1.00 0.00 C ATOM 834 C LYS A 50 -5.599 11.322 -11.199 1.00 0.00 C ATOM 835 O LYS A 50 -4.751 10.432 -11.137 1.00 0.00 O ATOM 836 CB LYS A 50 -5.637 13.608 -10.184 1.00 0.00 C ATOM 837 CG LYS A 50 -6.185 14.524 -9.102 1.00 0.00 C ATOM 838 CD LYS A 50 -5.501 15.882 -9.123 1.00 0.00 C ATOM 839 CE LYS A 50 -6.081 16.781 -10.202 1.00 0.00 C ATOM 840 NZ LYS A 50 -5.231 17.978 -10.445 1.00 0.00 N ATOM 0 H LYS A 50 -4.269 11.743 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.045 12.031 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.554 13.723 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.034 13.922 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.258 14.654 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.045 14.060 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.612 16.361 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.433 15.750 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.185 16.216 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.081 17.100 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.662 18.565 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.152 18.532 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.284 17.675 -10.749 1.00 0.00 H new ATOM 854 N GLY A 51 -6.238 11.635 -12.321 1.00 0.00 N ATOM 855 CA GLY A 51 -5.958 10.924 -13.556 1.00 0.00 C ATOM 856 C GLY A 51 -6.513 9.514 -13.552 1.00 0.00 C ATOM 857 O GLY A 51 -7.691 9.305 -13.260 1.00 0.00 O ATOM 0 H GLY A 51 -6.944 12.367 -12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.384 11.476 -14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.880 10.886 -13.714 1.00 0.00 H new ATOM 861 N LYS A 52 -5.665 8.546 -13.877 1.00 0.00 N ATOM 862 CA LYS A 52 -6.077 7.146 -13.910 1.00 0.00 C ATOM 863 C LYS A 52 -6.386 6.636 -12.504 1.00 0.00 C ATOM 864 O LYS A 52 -7.175 5.705 -12.334 1.00 0.00 O ATOM 865 CB LYS A 52 -4.984 6.286 -14.551 1.00 0.00 C ATOM 866 CG LYS A 52 -5.245 5.962 -16.011 1.00 0.00 C ATOM 867 CD LYS A 52 -6.448 5.047 -16.172 1.00 0.00 C ATOM 868 CE LYS A 52 -6.320 4.170 -17.407 1.00 0.00 C ATOM 869 NZ LYS A 52 -7.325 3.071 -17.416 1.00 0.00 N ATOM 0 H LYS A 52 -4.687 8.704 -14.122 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.984 7.073 -14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.029 6.805 -14.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.891 5.355 -13.992 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.412 6.885 -16.565 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.364 5.486 -16.442 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.549 4.419 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.356 5.647 -16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.443 4.782 -18.301 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.317 3.745 -17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.204 2.497 -18.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.192 2.472 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.283 3.476 -17.403 1.00 0.00 H new ATOM 883 N TRP A 53 -5.763 7.246 -11.504 1.00 0.00 N ATOM 884 CA TRP A 53 -5.973 6.851 -10.116 1.00 0.00 C ATOM 885 C TRP A 53 -6.996 7.759 -9.441 1.00 0.00 C ATOM 886 O TRP A 53 -6.843 8.125 -8.275 1.00 0.00 O ATOM 887 CB TRP A 53 -4.649 6.888 -9.349 1.00 0.00 C ATOM 888 CG TRP A 53 -3.590 6.015 -9.951 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.596 4.651 -10.023 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.370 6.445 -10.564 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.453 4.209 -10.644 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.684 5.290 -10.985 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.790 7.696 -10.798 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.451 5.349 -11.627 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.564 7.752 -11.435 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.093 6.586 -11.844 1.00 0.00 C ATOM 0 H TRP A 53 -5.107 8.017 -11.628 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.360 5.832 -10.107 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.286 7.915 -9.314 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.825 6.576 -8.319 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.383 4.014 -9.647 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.215 3.233 -10.822 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.290 8.601 -10.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.059 4.451 -11.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.106 8.712 -11.620 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.049 6.664 -12.341 1.00 0.00 H new ATOM 907 N LYS A 54 -8.039 8.119 -10.182 1.00 0.00 N ATOM 908 CA LYS A 54 -9.091 8.985 -9.657 1.00 0.00 C ATOM 909 C LYS A 54 -10.011 8.222 -8.704 1.00 0.00 C ATOM 910 O LYS A 54 -10.258 8.671 -7.584 1.00 0.00 O ATOM 911 CB LYS A 54 -9.905 9.588 -10.805 1.00 0.00 C ATOM 912 CG LYS A 54 -9.800 11.101 -10.893 1.00 0.00 C ATOM 913 CD LYS A 54 -9.725 11.573 -12.336 1.00 0.00 C ATOM 914 CE LYS A 54 -10.072 13.049 -12.459 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.466 13.255 -12.941 1.00 0.00 N ATOM 0 H LYS A 54 -8.179 7.825 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.615 9.790 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.568 9.153 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.952 9.311 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.662 11.555 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.915 11.437 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.721 11.401 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.409 10.985 -12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.948 13.533 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.376 13.529 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.662 14.274 -13.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.578 12.816 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.133 12.819 -12.272 1.00 0.00 H new ATOM 929 N PRO A 55 -10.531 7.056 -9.131 1.00 0.00 N ATOM 930 CA PRO A 55 -11.423 6.246 -8.300 1.00 0.00 C ATOM 931 C PRO A 55 -10.673 5.450 -7.234 1.00 0.00 C ATOM 932 O PRO A 55 -11.273 4.670 -6.495 1.00 0.00 O ATOM 933 CB PRO A 55 -12.074 5.305 -9.311 1.00 0.00 C ATOM 934 CG PRO A 55 -11.055 5.138 -10.383 1.00 0.00 C ATOM 935 CD PRO A 55 -10.295 6.439 -10.452 1.00 0.00 C ATOM 0 HA PRO A 55 -12.131 6.859 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.329 4.349 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.999 5.726 -9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.385 4.308 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.529 4.914 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.233 6.273 -10.632 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.660 7.073 -11.260 1.00 0.00 H new ATOM 943 N PHE A 56 -9.359 5.649 -7.156 1.00 0.00 N ATOM 944 CA PHE A 56 -8.537 4.948 -6.177 1.00 0.00 C ATOM 945 C PHE A 56 -7.952 5.923 -5.160 1.00 0.00 C ATOM 946 O PHE A 56 -8.027 7.138 -5.337 1.00 0.00 O ATOM 947 CB PHE A 56 -7.413 4.186 -6.877 1.00 0.00 C ATOM 948 CG PHE A 56 -7.881 3.340 -8.025 1.00 0.00 C ATOM 949 CD1 PHE A 56 -9.009 2.545 -7.901 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.195 3.338 -9.229 1.00 0.00 C ATOM 951 CE1 PHE A 56 -9.442 1.764 -8.956 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.623 2.558 -10.287 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.749 1.770 -10.150 1.00 0.00 C ATOM 0 H PHE A 56 -8.843 6.290 -7.759 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.172 4.238 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.674 4.900 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.910 3.549 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.556 2.535 -6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.315 3.954 -9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.323 1.149 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.078 2.565 -11.219 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.087 1.160 -10.975 1.00 0.00 H new ATOM 963 N ARG A 57 -7.369 5.381 -4.096 1.00 0.00 N ATOM 964 CA ARG A 57 -6.771 6.203 -3.050 1.00 0.00 C ATOM 965 C ARG A 57 -5.342 5.759 -2.758 1.00 0.00 C ATOM 966 O ARG A 57 -5.026 4.570 -2.822 1.00 0.00 O ATOM 967 CB ARG A 57 -7.611 6.133 -1.773 1.00 0.00 C ATOM 968 CG ARG A 57 -7.159 7.102 -0.693 1.00 0.00 C ATOM 969 CD ARG A 57 -8.294 8.007 -0.240 1.00 0.00 C ATOM 970 NE ARG A 57 -9.188 7.336 0.699 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.334 7.857 1.133 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.727 9.054 0.714 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.087 7.179 1.988 1.00 0.00 N ATOM 0 H ARG A 57 -7.298 4.376 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.746 7.234 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.652 6.339 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.572 5.118 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.776 6.543 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.337 7.710 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.880 8.900 0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.863 8.337 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.919 6.414 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.150 9.579 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.606 9.449 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.788 6.259 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.965 7.577 2.321 1.00 0.00 H new ATOM 987 N GLU A 58 -4.482 6.719 -2.437 1.00 0.00 N ATOM 988 CA GLU A 58 -3.087 6.427 -2.134 1.00 0.00 C ATOM 989 C GLU A 58 -2.837 6.466 -0.630 1.00 0.00 C ATOM 990 O GLU A 58 -3.664 6.966 0.133 1.00 0.00 O ATOM 991 CB GLU A 58 -2.169 7.426 -2.842 1.00 0.00 C ATOM 992 CG GLU A 58 -0.895 6.803 -3.388 1.00 0.00 C ATOM 993 CD GLU A 58 0.265 7.780 -3.419 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.012 9.002 -3.375 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.425 7.323 -3.486 1.00 0.00 O ATOM 0 H GLU A 58 -4.727 7.707 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.866 5.423 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.716 7.891 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.904 8.221 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.624 5.943 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.080 6.432 -4.396 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.693 5.937 -0.210 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.336 5.914 1.205 1.00 0.00 C ATOM 1004 C CYS A 59 0.159 5.669 1.384 1.00 0.00 C ATOM 1005 O CYS A 59 0.675 4.617 1.009 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.133 4.831 1.936 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.667 5.306 3.597 1.00 0.00 S ATOM 0 H CYS A 59 -0.997 5.519 -0.828 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.581 6.886 1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.011 4.577 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.523 3.930 2.005 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.657 4.550 3.967 1.00 0.00 H new ATOM 1013 N HIS A 60 0.849 6.649 1.958 1.00 0.00 N ATOM 1014 CA HIS A 60 2.286 6.539 2.187 1.00 0.00 C ATOM 1015 C HIS A 60 2.576 5.939 3.558 1.00 0.00 C ATOM 1016 O HIS A 60 2.778 6.663 4.534 1.00 0.00 O ATOM 1017 CB HIS A 60 2.949 7.913 2.068 1.00 0.00 C ATOM 1018 CG HIS A 60 2.630 8.623 0.789 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.582 9.273 0.032 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.457 8.782 0.130 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.009 9.802 -1.034 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.721 9.518 -0.998 1.00 0.00 N ATOM 0 H HIS A 60 0.437 7.528 2.273 1.00 0.00 H new ATOM 0 HA HIS A 60 2.699 5.876 1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.633 8.533 2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.030 7.794 2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.494 8.401 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.510 10.370 -1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.033 9.800 -1.696 1.00 0.00 H new ATOM 1031 N ILE A 61 2.596 4.612 3.626 1.00 0.00 N ATOM 1032 CA ILE A 61 2.861 3.913 4.878 1.00 0.00 C ATOM 1033 C ILE A 61 4.234 4.285 5.433 1.00 0.00 C ATOM 1034 O ILE A 61 4.449 4.269 6.646 1.00 0.00 O ATOM 1035 CB ILE A 61 2.790 2.383 4.693 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.458 1.987 4.056 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.976 1.675 6.028 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.536 1.799 2.555 1.00 0.00 C ATOM 0 H ILE A 61 2.432 3.999 2.828 1.00 0.00 H new ATOM 0 HA ILE A 61 2.090 4.222 5.584 1.00 0.00 H new ATOM 0 HB ILE A 61 3.597 2.076 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.108 1.061 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.716 2.753 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.923 0.597 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.948 1.936 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.190 1.985 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.555 1.519 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.856 2.730 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.254 1.012 2.324 1.00 0.00 H new ATOM 1050 N LYS A 62 5.159 4.621 4.538 1.00 0.00 N ATOM 1051 CA LYS A 62 6.510 4.995 4.936 1.00 0.00 C ATOM 1052 C LYS A 62 7.043 6.120 4.052 1.00 0.00 C ATOM 1053 O LYS A 62 6.450 6.442 3.022 1.00 0.00 O ATOM 1054 CB LYS A 62 7.438 3.781 4.855 1.00 0.00 C ATOM 1055 CG LYS A 62 7.188 2.749 5.943 1.00 0.00 C ATOM 1056 CD LYS A 62 8.430 1.916 6.217 1.00 0.00 C ATOM 1057 CE LYS A 62 9.416 2.655 7.109 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.852 1.825 8.264 1.00 0.00 N ATOM 0 H LYS A 62 4.996 4.641 3.531 1.00 0.00 H new ATOM 0 HA LYS A 62 6.478 5.351 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.317 3.306 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.472 4.120 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.877 3.252 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.369 2.095 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.142 0.978 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.913 1.661 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.287 2.947 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.956 3.573 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.523 2.366 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.024 1.568 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.314 0.961 7.916 1.00 0.00 H new ATOM 1072 N PRO A 63 8.175 6.737 4.442 1.00 0.00 N ATOM 1073 CA PRO A 63 8.783 7.832 3.678 1.00 0.00 C ATOM 1074 C PRO A 63 9.290 7.386 2.309 1.00 0.00 C ATOM 1075 O PRO A 63 9.713 8.208 1.496 1.00 0.00 O ATOM 1076 CB PRO A 63 9.953 8.295 4.558 1.00 0.00 C ATOM 1077 CG PRO A 63 9.698 7.700 5.902 1.00 0.00 C ATOM 1078 CD PRO A 63 8.946 6.425 5.654 1.00 0.00 C ATOM 0 HA PRO A 63 8.058 8.618 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.907 7.957 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.997 9.383 4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.634 7.505 6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.118 8.380 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.619 5.581 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.298 6.167 6.492 1.00 0.00 H new ATOM 1086 N ASP A 64 9.242 6.087 2.063 1.00 0.00 N ATOM 1087 CA ASP A 64 9.690 5.528 0.795 1.00 0.00 C ATOM 1088 C ASP A 64 8.738 4.436 0.316 1.00 0.00 C ATOM 1089 O ASP A 64 9.131 3.535 -0.426 1.00 0.00 O ATOM 1090 CB ASP A 64 11.106 4.961 0.934 1.00 0.00 C ATOM 1091 CG ASP A 64 12.139 6.041 1.184 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.190 6.562 2.316 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.897 6.366 0.246 1.00 0.00 O ATOM 0 H ASP A 64 8.896 5.395 2.728 1.00 0.00 H new ATOM 0 HA ASP A 64 9.698 6.329 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.128 4.244 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.367 4.416 0.027 1.00 0.00 H new ATOM 1098 N VAL A 65 7.482 4.521 0.746 1.00 0.00 N ATOM 1099 CA VAL A 65 6.474 3.541 0.360 1.00 0.00 C ATOM 1100 C VAL A 65 5.129 4.208 0.095 1.00 0.00 C ATOM 1101 O VAL A 65 4.729 5.132 0.804 1.00 0.00 O ATOM 1102 CB VAL A 65 6.298 2.458 1.444 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.235 1.447 1.034 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.623 1.765 1.718 1.00 0.00 C ATOM 0 H VAL A 65 7.139 5.259 1.362 1.00 0.00 H new ATOM 0 HA VAL A 65 6.827 3.070 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 65 5.964 2.942 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.129 0.694 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.283 1.958 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.531 0.965 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.483 1.003 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.985 1.296 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.352 2.498 2.063 1.00 0.00 H new ATOM 1114 N LEU A 66 4.438 3.728 -0.930 1.00 0.00 N ATOM 1115 CA LEU A 66 3.134 4.271 -1.298 1.00 0.00 C ATOM 1116 C LEU A 66 2.331 3.242 -2.091 1.00 0.00 C ATOM 1117 O LEU A 66 2.711 2.865 -3.199 1.00 0.00 O ATOM 1118 CB LEU A 66 3.285 5.564 -2.117 1.00 0.00 C ATOM 1119 CG LEU A 66 4.706 5.887 -2.598 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.687 6.363 -4.042 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.348 6.936 -1.701 1.00 0.00 C ATOM 0 H LEU A 66 4.758 2.962 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 66 2.598 4.507 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.633 5.498 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.928 6.398 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 66 5.301 4.975 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.704 6.587 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.269 5.582 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.075 7.262 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.355 7.152 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.751 7.848 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.398 6.560 -0.679 1.00 0.00 H new ATOM 1133 N LEU A 67 1.223 2.789 -1.512 1.00 0.00 N ATOM 1134 CA LEU A 67 0.371 1.802 -2.166 1.00 0.00 C ATOM 1135 C LEU A 67 -1.046 2.339 -2.353 1.00 0.00 C ATOM 1136 O LEU A 67 -1.594 2.998 -1.468 1.00 0.00 O ATOM 1137 CB LEU A 67 0.357 0.497 -1.351 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.930 0.200 -0.574 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.937 -0.514 -1.463 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.625 -0.634 0.662 1.00 0.00 C ATOM 0 H LEU A 67 0.895 3.089 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 67 0.779 1.594 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.547 -0.334 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.186 0.526 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.365 1.147 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.845 -0.717 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.178 0.116 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.511 -1.454 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.550 -0.836 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.167 -1.576 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.061 -0.088 1.309 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.630 2.051 -3.509 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.983 2.499 -3.816 1.00 0.00 C ATOM 1154 C VAL A 68 -4.012 1.481 -3.337 1.00 0.00 C ATOM 1155 O VAL A 68 -3.755 0.278 -3.344 1.00 0.00 O ATOM 1156 CB VAL A 68 -3.166 2.729 -5.328 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.537 3.316 -5.621 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -2.066 3.632 -5.868 1.00 0.00 C ATOM 0 H VAL A 68 -1.188 1.508 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.137 3.443 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.096 1.765 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.645 3.470 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.309 2.629 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.642 4.270 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.212 3.783 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.102 4.594 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.096 3.166 -5.696 1.00 0.00 H new ATOM 1168 N TYR A 69 -5.176 1.969 -2.922 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.240 1.096 -2.440 1.00 0.00 C ATOM 1170 C TYR A 69 -7.614 1.687 -2.740 1.00 0.00 C ATOM 1171 O TYR A 69 -7.743 2.886 -2.992 1.00 0.00 O ATOM 1172 CB TYR A 69 -6.090 0.858 -0.935 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.278 2.106 -0.101 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.348 3.137 -0.141 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -7.384 2.252 0.727 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.516 4.280 0.619 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.558 3.391 1.490 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.623 4.401 1.433 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.794 5.536 2.192 1.00 0.00 O ATOM 0 H TYR A 69 -5.406 2.963 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.156 0.143 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.816 0.108 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.100 0.446 -0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.479 3.044 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.120 1.463 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.785 5.073 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.424 3.489 2.128 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.624 5.463 2.708 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.637 0.840 -2.711 1.00 0.00 N ATOM 1190 CA LEU A 70 -10.003 1.278 -2.979 1.00 0.00 C ATOM 1191 C LEU A 70 -10.882 1.099 -1.745 1.00 0.00 C ATOM 1192 O LEU A 70 -10.587 0.283 -0.872 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.589 0.494 -4.157 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.311 1.343 -5.205 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -11.381 0.605 -6.532 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.705 1.713 -4.721 1.00 0.00 C ATOM 0 H LEU A 70 -8.547 -0.155 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.977 2.338 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.783 -0.052 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.287 -0.248 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.745 2.263 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.898 1.224 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.371 0.392 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.924 -0.331 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.205 2.317 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.281 0.805 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.629 2.283 -3.795 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.965 1.867 -1.681 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.887 1.792 -0.555 1.00 0.00 C ATOM 1210 C VAL A 71 -14.191 1.110 -0.955 1.00 0.00 C ATOM 1211 O VAL A 71 -15.071 1.730 -1.552 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.205 3.191 0.006 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -14.000 3.082 1.298 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.923 3.980 0.226 1.00 0.00 C ATOM 0 H VAL A 71 -12.225 2.547 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.393 1.202 0.217 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.814 3.725 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.215 4.081 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.936 2.558 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.420 2.529 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.166 4.966 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.287 3.450 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.396 4.090 -0.722 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.308 -0.170 -0.619 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.503 -0.940 -0.940 1.00 0.00 C ATOM 1226 C LYS A 72 -16.586 -0.723 0.113 1.00 0.00 C ATOM 1227 O LYS A 72 -16.338 -0.119 1.156 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.161 -2.429 -1.037 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.918 -3.159 -2.135 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.988 -3.615 -3.250 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.339 -5.014 -3.731 1.00 0.00 C ATOM 1232 NZ LYS A 72 -14.129 -5.776 -4.149 1.00 0.00 N ATOM 0 H LYS A 72 -13.588 -0.696 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.882 -0.597 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.091 -2.536 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.376 -2.905 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.430 -4.023 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.686 -2.503 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.049 -2.916 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.958 -3.599 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.851 -5.554 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.033 -4.947 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.419 -6.654 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.563 -5.198 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.559 -6.009 -3.311 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.787 -1.219 -0.167 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.904 -1.077 0.761 1.00 0.00 C ATOM 1248 C ASP A 73 -18.588 -1.744 2.095 1.00 0.00 C ATOM 1249 O ASP A 73 -18.619 -2.969 2.213 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.174 -1.682 0.163 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.748 -0.833 -0.956 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.122 -0.774 -2.035 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.822 -0.230 -0.752 1.00 0.00 O ATOM 0 H ASP A 73 -18.012 -1.721 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.066 -0.013 0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.954 -2.679 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.922 -1.798 0.947 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.281 -0.928 3.098 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.954 -1.433 4.428 1.00 0.00 C ATOM 1260 C ASP A 74 -16.777 -2.406 4.374 1.00 0.00 C ATOM 1261 O ASP A 74 -16.590 -3.217 5.279 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.173 -2.122 5.047 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.904 -1.228 6.030 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.378 -1.013 7.142 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -21.001 -0.740 5.687 1.00 0.00 O ATOM 0 H ASP A 74 -18.252 0.088 3.015 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.668 -0.584 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.858 -2.423 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.854 -3.032 5.555 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.987 -2.318 3.307 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.830 -3.191 3.137 1.00 0.00 C ATOM 1272 C GLU A 75 -13.731 -2.481 2.349 1.00 0.00 C ATOM 1273 O GLU A 75 -14.008 -1.790 1.369 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.236 -4.479 2.414 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.141 -5.385 3.235 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.837 -6.432 2.389 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.321 -6.084 1.290 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.901 -7.601 2.825 1.00 0.00 O ATOM 0 H GLU A 75 -16.127 -1.651 2.548 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.446 -3.443 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.744 -4.219 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.336 -5.031 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.551 -5.880 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.889 -4.779 3.746 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.486 -2.657 2.778 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.352 -2.035 2.103 1.00 0.00 C ATOM 1287 C LEU A 76 -10.645 -3.035 1.196 1.00 0.00 C ATOM 1288 O LEU A 76 -10.615 -4.232 1.483 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.365 -1.467 3.122 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.457 -0.355 2.588 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.754 0.963 3.287 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.992 -0.732 2.759 1.00 0.00 C ATOM 0 H LEU A 76 -12.236 -3.224 3.588 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.734 -1.219 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.926 -1.081 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.740 -2.279 3.493 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.658 -0.231 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.098 1.740 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.793 1.242 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.584 0.853 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.363 0.070 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.777 -0.886 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.786 -1.650 2.209 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.081 -2.539 0.100 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.378 -3.396 -0.847 1.00 0.00 C ATOM 1306 C ILE A 77 -8.101 -2.731 -1.356 1.00 0.00 C ATOM 1307 O ILE A 77 -8.117 -1.577 -1.781 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.278 -3.758 -2.048 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.510 -2.534 -2.940 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.606 -4.320 -1.562 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.586 -2.476 -4.136 1.00 0.00 C ATOM 0 H ILE A 77 -10.097 -1.551 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.113 -4.309 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.771 -4.521 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.543 -2.539 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.378 -1.630 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.231 -4.571 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.426 -5.217 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.114 -3.575 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.806 -1.584 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.551 -2.440 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.734 -3.362 -4.753 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.999 -3.471 -1.313 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.715 -2.956 -1.776 1.00 0.00 C ATOM 1325 C LEU A 78 -5.673 -2.917 -3.301 1.00 0.00 C ATOM 1326 O LEU A 78 -6.291 -3.745 -3.969 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.570 -3.818 -1.240 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.477 -3.893 0.285 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.279 -4.728 0.709 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.392 -2.495 0.881 1.00 0.00 C ATOM 0 H LEU A 78 -6.968 -4.428 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.596 -1.941 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.682 -4.829 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.629 -3.428 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.379 -4.375 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.231 -4.769 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.381 -5.738 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.366 -4.276 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.326 -2.566 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.507 -1.989 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.282 -1.928 0.607 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.947 -1.947 -3.847 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.835 -1.802 -5.295 1.00 0.00 C ATOM 1344 C LEU A 79 -3.446 -2.198 -5.785 1.00 0.00 C ATOM 1345 O LEU A 79 -3.270 -3.254 -6.392 1.00 0.00 O ATOM 1346 CB LEU A 79 -5.153 -0.363 -5.710 1.00 0.00 C ATOM 1347 CG LEU A 79 -6.230 -0.224 -6.788 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.877 -1.064 -8.006 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.589 -0.626 -6.239 1.00 0.00 C ATOM 0 H LEU A 79 -4.429 -1.251 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.559 -2.473 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.470 0.192 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.237 0.106 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.278 0.821 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.654 -0.953 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.923 -0.730 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.801 -2.112 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.342 -0.521 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.554 -1.663 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.846 0.017 -5.397 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.458 -1.344 -5.524 1.00 0.00 N ATOM 1362 CA ARG A 80 -1.089 -1.617 -5.949 1.00 0.00 C ATOM 1363 C ARG A 80 -0.074 -0.992 -4.999 1.00 0.00 C ATOM 1364 O ARG A 80 -0.399 -0.087 -4.230 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.863 -1.094 -7.369 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.920 0.421 -7.472 1.00 0.00 C ATOM 1367 CD ARG A 80 0.449 1.048 -7.260 1.00 0.00 C ATOM 1368 NE ARG A 80 0.814 1.946 -8.353 1.00 0.00 N ATOM 1369 CZ ARG A 80 1.296 1.532 -9.523 1.00 0.00 C ATOM 1370 NH1 ARG A 80 1.469 0.237 -9.756 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.602 2.415 -10.463 1.00 0.00 N ATOM 0 H ARG A 80 -2.580 -0.463 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.946 -2.697 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.108 -1.438 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.615 -1.524 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.303 0.706 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.618 0.811 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.453 1.600 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.198 0.261 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 80 0.692 2.949 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.232 -0.447 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.839 -0.075 -10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.468 3.411 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.971 2.098 -11.359 1.00 0.00 H new ATOM 1385 N LEU A 81 1.162 -1.481 -5.061 1.00 0.00 N ATOM 1386 CA LEU A 81 2.233 -0.973 -4.210 1.00 0.00 C ATOM 1387 C LEU A 81 3.315 -0.300 -5.049 1.00 0.00 C ATOM 1388 O LEU A 81 3.783 -0.860 -6.041 1.00 0.00 O ATOM 1389 CB LEU A 81 2.840 -2.114 -3.387 1.00 0.00 C ATOM 1390 CG LEU A 81 3.886 -1.694 -2.348 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.198 -1.320 -3.022 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.371 -0.539 -1.502 1.00 0.00 C ATOM 0 H LEU A 81 1.446 -2.230 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 81 1.810 -0.232 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.033 -2.638 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.299 -2.828 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 81 4.070 -2.544 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.925 -1.025 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.579 -2.177 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.031 -0.489 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.129 -0.257 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.152 0.313 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.463 -0.845 -0.983 1.00 0.00 H new ATOM 1404 N GLY A 82 3.713 0.901 -4.642 1.00 0.00 N ATOM 1405 CA GLY A 82 4.738 1.628 -5.367 1.00 0.00 C ATOM 1406 C GLY A 82 5.743 2.286 -4.444 1.00 0.00 C ATOM 1407 O GLY A 82 5.662 2.142 -3.222 1.00 0.00 O ATOM 0 H GLY A 82 3.344 1.384 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.258 0.944 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.268 2.389 -5.989 1.00 0.00 H new ATOM 1411 N SER A 83 6.691 3.012 -5.025 1.00 0.00 N ATOM 1412 CA SER A 83 7.716 3.695 -4.246 1.00 0.00 C ATOM 1413 C SER A 83 8.195 4.953 -4.962 1.00 0.00 C ATOM 1414 O SER A 83 7.752 5.257 -6.070 1.00 0.00 O ATOM 1415 CB SER A 83 8.898 2.761 -3.986 1.00 0.00 C ATOM 1416 OG SER A 83 8.459 1.506 -3.493 1.00 0.00 O ATOM 0 H SER A 83 6.771 3.143 -6.033 1.00 0.00 H new ATOM 0 HA SER A 83 7.277 3.986 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.461 2.616 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.577 3.220 -3.267 1.00 0.00 H new ATOM 0 HG SER A 83 9.234 0.927 -3.336 1.00 0.00 H new ATOM 1422 N HIS A 84 9.106 5.679 -4.323 1.00 0.00 N ATOM 1423 CA HIS A 84 9.648 6.905 -4.896 1.00 0.00 C ATOM 1424 C HIS A 84 10.424 6.612 -6.177 1.00 0.00 C ATOM 1425 O HIS A 84 10.532 7.465 -7.058 1.00 0.00 O ATOM 1426 CB HIS A 84 10.554 7.606 -3.884 1.00 0.00 C ATOM 1427 CG HIS A 84 10.913 9.006 -4.274 1.00 0.00 C ATOM 1428 ND1 HIS A 84 12.216 9.446 -4.384 1.00 0.00 N ATOM 1429 CD2 HIS A 84 10.132 10.069 -4.582 1.00 0.00 C ATOM 1430 CE1 HIS A 84 12.220 10.719 -4.741 1.00 0.00 C ATOM 1431 NE2 HIS A 84 10.969 11.119 -4.867 1.00 0.00 N ATOM 0 H HIS A 84 9.485 5.439 -3.407 1.00 0.00 H new ATOM 0 HA HIS A 84 8.814 7.562 -5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.057 7.624 -2.914 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.468 7.025 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.052 10.087 -4.600 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.098 11.328 -4.902 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.672 12.058 -5.133 1.00 0.00 H new ATOM 1440 N SER A 85 10.964 5.400 -6.276 1.00 0.00 N ATOM 1441 CA SER A 85 11.728 4.998 -7.451 1.00 0.00 C ATOM 1442 C SER A 85 10.811 4.424 -8.528 1.00 0.00 C ATOM 1443 O SER A 85 11.113 4.502 -9.719 1.00 0.00 O ATOM 1444 CB SER A 85 12.790 3.967 -7.066 1.00 0.00 C ATOM 1445 OG SER A 85 14.012 4.597 -6.721 1.00 0.00 O ATOM 0 H SER A 85 10.886 4.681 -5.557 1.00 0.00 H new ATOM 0 HA SER A 85 12.220 5.883 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.435 3.371 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.953 3.281 -7.897 1.00 0.00 H new ATOM 0 HG SER A 85 14.674 3.916 -6.477 1.00 0.00 H new ATOM 1451 N GLU A 86 9.693 3.846 -8.100 1.00 0.00 N ATOM 1452 CA GLU A 86 8.736 3.258 -9.029 1.00 0.00 C ATOM 1453 C GLU A 86 7.762 4.311 -9.551 1.00 0.00 C ATOM 1454 O GLU A 86 7.865 4.753 -10.696 1.00 0.00 O ATOM 1455 CB GLU A 86 7.964 2.125 -8.349 1.00 0.00 C ATOM 1456 CG GLU A 86 8.519 0.743 -8.651 1.00 0.00 C ATOM 1457 CD GLU A 86 8.191 0.276 -10.056 1.00 0.00 C ATOM 1458 OE1 GLU A 86 8.922 0.658 -10.994 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.203 -0.469 -10.219 1.00 0.00 O ATOM 0 H GLU A 86 9.428 3.773 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 86 9.292 2.854 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.976 2.284 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.922 2.166 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.601 0.753 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.117 0.029 -7.932 1.00 0.00 H new ATOM 1466 N LEU A 87 6.819 4.709 -8.705 1.00 0.00 N ATOM 1467 CA LEU A 87 5.826 5.708 -9.081 1.00 0.00 C ATOM 1468 C LEU A 87 6.490 7.040 -9.409 1.00 0.00 C ATOM 1469 O LEU A 87 6.118 7.710 -10.371 1.00 0.00 O ATOM 1470 CB LEU A 87 4.807 5.894 -7.954 1.00 0.00 C ATOM 1471 CG LEU A 87 4.156 4.606 -7.447 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.087 4.917 -6.413 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.567 3.816 -8.607 1.00 0.00 C ATOM 0 H LEU A 87 6.721 4.355 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 87 5.310 5.353 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.301 6.387 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.023 6.566 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 87 4.924 3.997 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.636 3.988 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.538 5.440 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.319 5.547 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.108 2.903 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.813 4.419 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.358 3.560 -9.312 1.00 0.00 H new ATOM 1485 N PHE A 88 7.477 7.418 -8.603 1.00 0.00 N ATOM 1486 CA PHE A 88 8.194 8.672 -8.809 1.00 0.00 C ATOM 1487 C PHE A 88 9.561 8.420 -9.438 1.00 0.00 C ATOM 1488 O PHE A 88 10.334 9.391 -9.580 1.00 0.00 O ATOM 1489 CB PHE A 88 8.360 9.414 -7.482 1.00 0.00 C ATOM 1490 CG PHE A 88 7.088 10.028 -6.973 1.00 0.00 C ATOM 1491 CD1 PHE A 88 6.081 9.233 -6.447 1.00 0.00 C ATOM 1492 CD2 PHE A 88 6.897 11.400 -7.020 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.910 9.796 -5.977 1.00 0.00 C ATOM 1494 CE2 PHE A 88 5.727 11.968 -6.552 1.00 0.00 C ATOM 1495 CZ PHE A 88 4.732 11.165 -6.030 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.847 7.254 -9.783 1.00 0.00 O ATOM 0 H PHE A 88 7.799 6.875 -7.802 1.00 0.00 H new ATOM 0 HA PHE A 88 7.608 9.288 -9.491 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.744 8.721 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.108 10.197 -7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.213 8.162 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.672 12.033 -7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.134 9.166 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.591 13.039 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.817 11.606 -5.664 1.00 0.00 H new TER 1506 PHE A 88