USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 501 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 Set 1.1: A 102 MET CE :methyl 171:sc= -4.46! (180deg=-4.36!) USER MOD Set 1.2: A 114 HIS : no HD1:sc= -0.102 X(o=-4.7,f=-5) USER MOD Set 1.3: A 118 GLN : amide:sc= -0.149 X(o=-4.7,f=-5) USER MOD Single : A 89 GLN :FLIP amide:sc= -0.43 F(o=-1.2,f=-0.43) USER MOD Single : A 92 THR OG1 : rot 63:sc= 0.984 USER MOD Single : A 94 SER OG : rot 83:sc= 0.131 USER MOD Single : A 97 MET CE :methyl 168:sc=-0.00188 (180deg=-0.2) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 44:sc= 1.15 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 112 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.4!) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0201) USER MOD Single : A 120 SER OG : rot -170:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -151:sc= -1.91 (180deg=-4.43!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 156:sc= -2.04! (180deg=-4!) USER MOD Single : A 135 CYS SG : rot -170:sc= -0.359 USER MOD Single : A 136 THR OG1 : rot 80:sc= 0.599 USER MOD Single : A 138 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0968) USER MOD Single : A 141 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.93) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.620 -0.401 11.296 1.00 0.00 N ATOM 109 CA TRP A 87 9.297 -0.739 9.914 1.00 0.00 C ATOM 110 C TRP A 87 10.299 -0.111 8.952 1.00 0.00 C ATOM 111 O TRP A 87 10.792 0.992 9.186 1.00 0.00 O ATOM 112 CB TRP A 87 7.881 -0.274 9.571 1.00 0.00 C ATOM 113 CG TRP A 87 6.824 -1.272 9.933 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.384 -1.582 11.188 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.075 -2.093 9.030 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.407 -2.546 11.120 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.198 -2.875 9.807 1.00 0.00 C ATOM 118 CE3 TRP A 87 6.057 -2.242 7.641 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.317 -3.792 9.240 1.00 0.00 C ATOM 120 CZ3 TRP A 87 5.182 -3.152 7.079 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.321 -3.917 7.877 1.00 0.00 C ATOM 0 HA TRP A 87 9.351 -1.823 9.809 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.679 0.663 10.090 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.823 -0.066 8.503 1.00 0.00 H new ATOM 0 HD1 TRP A 87 6.750 -1.135 12.100 1.00 0.00 H new ATOM 0 HE1 TRP A 87 4.917 -2.951 11.918 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.716 -1.656 7.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.654 -4.384 9.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 5.161 -3.276 6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.648 -4.619 7.408 1.00 0.00 H new ATOM 132 N VAL A 88 10.597 -0.821 7.868 1.00 0.00 N ATOM 133 CA VAL A 88 11.540 -0.331 6.869 1.00 0.00 C ATOM 134 C VAL A 88 10.812 0.188 5.634 1.00 0.00 C ATOM 135 O VAL A 88 9.690 -0.226 5.344 1.00 0.00 O ATOM 136 CB VAL A 88 12.529 -1.433 6.443 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.354 -1.898 7.633 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.786 -2.600 5.811 1.00 0.00 C ATOM 0 H VAL A 88 10.199 -1.737 7.659 1.00 0.00 H new ATOM 0 HA VAL A 88 12.094 0.486 7.331 1.00 0.00 H new ATOM 0 HB VAL A 88 13.209 -1.019 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.047 -2.676 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.916 -1.056 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.692 -2.295 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.500 -3.369 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.082 -3.016 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.243 -2.253 4.932 1.00 0.00 H new ATOM 148 N GLN A 89 11.459 1.096 4.910 1.00 0.00 N ATOM 149 CA GLN A 89 10.873 1.671 3.706 1.00 0.00 C ATOM 150 C GLN A 89 10.303 0.582 2.803 1.00 0.00 C ATOM 151 O GLN A 89 9.101 0.547 2.538 1.00 0.00 O ATOM 152 CB GLN A 89 11.919 2.486 2.944 1.00 0.00 C ATOM 153 CG GLN A 89 12.373 3.735 3.682 1.00 0.00 C ATOM 154 CD GLN A 89 11.213 4.604 4.128 1.00 0.00 C ATOM 155 OE1 GLN A 89 10.612 4.253 5.259 1.00 0.00 O flip ATOM 156 NE2 GLN A 89 10.861 5.579 3.464 1.00 0.00 N flip ATOM 0 H GLN A 89 12.389 1.449 5.137 1.00 0.00 H new ATOM 0 HA GLN A 89 10.058 2.329 4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.786 1.855 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.508 2.775 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.960 3.444 4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.030 4.316 3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.352 5.812 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.079 6.154 3.777 1.00 0.00 H new ATOM 165 N ASP A 90 11.173 -0.305 2.334 1.00 0.00 N ATOM 166 CA ASP A 90 10.757 -1.397 1.462 1.00 0.00 C ATOM 167 C ASP A 90 9.385 -1.925 1.869 1.00 0.00 C ATOM 168 O ASP A 90 8.417 -1.806 1.118 1.00 0.00 O ATOM 169 CB ASP A 90 11.784 -2.530 1.500 1.00 0.00 C ATOM 170 CG ASP A 90 13.209 -2.023 1.382 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.604 -1.618 0.269 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.927 -2.031 2.403 1.00 0.00 O ATOM 0 H ASP A 90 12.171 -0.289 2.543 1.00 0.00 H new ATOM 0 HA ASP A 90 10.692 -1.011 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.675 -3.085 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.581 -3.228 0.688 1.00 0.00 H new ATOM 177 N GLU A 91 9.310 -2.509 3.061 1.00 0.00 N ATOM 178 CA GLU A 91 8.057 -3.056 3.566 1.00 0.00 C ATOM 179 C GLU A 91 6.964 -1.991 3.578 1.00 0.00 C ATOM 180 O GLU A 91 5.797 -2.278 3.306 1.00 0.00 O ATOM 181 CB GLU A 91 8.251 -3.619 4.975 1.00 0.00 C ATOM 182 CG GLU A 91 9.112 -4.870 5.017 1.00 0.00 C ATOM 183 CD GLU A 91 9.002 -5.697 3.751 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.754 -5.416 2.793 1.00 0.00 O ATOM 185 OE2 GLU A 91 8.166 -6.623 3.716 1.00 0.00 O ATOM 0 H GLU A 91 10.102 -2.615 3.694 1.00 0.00 H new ATOM 0 HA GLU A 91 7.748 -3.862 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.706 -2.854 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.275 -3.845 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.153 -4.585 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.819 -5.480 5.871 1.00 0.00 H new ATOM 192 N THR A 92 7.349 -0.759 3.896 1.00 0.00 N ATOM 193 CA THR A 92 6.404 0.349 3.946 1.00 0.00 C ATOM 194 C THR A 92 5.746 0.572 2.589 1.00 0.00 C ATOM 195 O THR A 92 4.526 0.480 2.457 1.00 0.00 O ATOM 196 CB THR A 92 7.090 1.654 4.391 1.00 0.00 C ATOM 197 OG1 THR A 92 7.794 1.442 5.620 1.00 0.00 O ATOM 198 CG2 THR A 92 6.071 2.768 4.570 1.00 0.00 C ATOM 0 H THR A 92 8.310 -0.504 4.123 1.00 0.00 H new ATOM 0 HA THR A 92 5.642 0.081 4.677 1.00 0.00 H new ATOM 0 HB THR A 92 7.795 1.951 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.505 0.782 5.480 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.580 3.679 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.557 2.947 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.344 2.478 5.329 1.00 0.00 H new ATOM 206 N ARG A 93 6.563 0.864 1.582 1.00 0.00 N ATOM 207 CA ARG A 93 6.059 1.101 0.234 1.00 0.00 C ATOM 208 C ARG A 93 5.305 -0.119 -0.286 1.00 0.00 C ATOM 209 O ARG A 93 4.229 0.007 -0.871 1.00 0.00 O ATOM 210 CB ARG A 93 7.213 1.442 -0.712 1.00 0.00 C ATOM 211 CG ARG A 93 6.811 2.358 -1.856 1.00 0.00 C ATOM 212 CD ARG A 93 8.022 2.815 -2.655 1.00 0.00 C ATOM 213 NE ARG A 93 9.001 3.503 -1.819 1.00 0.00 N ATOM 214 CZ ARG A 93 10.110 4.061 -2.293 1.00 0.00 C ATOM 215 NH1 ARG A 93 10.378 4.012 -3.590 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.953 4.669 -1.468 1.00 0.00 N ATOM 0 H ARG A 93 7.576 0.942 1.674 1.00 0.00 H new ATOM 0 HA ARG A 93 5.369 1.944 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.012 1.916 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.620 0.518 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.115 1.837 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.286 3.227 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.491 1.952 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.698 3.480 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 93 8.824 3.559 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.732 3.545 -4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.230 4.441 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.750 4.708 -0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.804 5.097 -1.833 1.00 0.00 H new ATOM 230 N SER A 94 5.876 -1.299 -0.069 1.00 0.00 N ATOM 231 CA SER A 94 5.260 -2.542 -0.520 1.00 0.00 C ATOM 232 C SER A 94 3.881 -2.723 0.107 1.00 0.00 C ATOM 233 O SER A 94 2.877 -2.845 -0.597 1.00 0.00 O ATOM 234 CB SER A 94 6.152 -3.734 -0.171 1.00 0.00 C ATOM 235 OG SER A 94 7.323 -3.746 -0.968 1.00 0.00 O ATOM 0 H SER A 94 6.765 -1.421 0.417 1.00 0.00 H new ATOM 0 HA SER A 94 5.144 -2.489 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.426 -3.690 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.599 -4.662 -0.318 1.00 0.00 H new ATOM 0 HG SER A 94 7.992 -3.146 -0.576 1.00 0.00 H new ATOM 241 N LEU A 95 3.839 -2.739 1.435 1.00 0.00 N ATOM 242 CA LEU A 95 2.584 -2.905 2.159 1.00 0.00 C ATOM 243 C LEU A 95 1.494 -2.017 1.568 1.00 0.00 C ATOM 244 O LEU A 95 0.447 -2.504 1.139 1.00 0.00 O ATOM 245 CB LEU A 95 2.780 -2.576 3.640 1.00 0.00 C ATOM 246 CG LEU A 95 1.509 -2.266 4.432 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.788 -3.550 4.809 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.840 -1.453 5.675 1.00 0.00 C ATOM 0 H LEU A 95 4.660 -2.639 2.032 1.00 0.00 H new ATOM 0 HA LEU A 95 2.271 -3.945 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.284 -3.418 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.450 -1.719 3.716 1.00 0.00 H new ATOM 0 HG LEU A 95 0.846 -1.674 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.114 -3.309 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.516 -4.094 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.444 -4.169 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.924 -1.242 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.522 -2.019 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.311 -0.515 5.381 1.00 0.00 H new ATOM 260 N ILE A 96 1.746 -0.712 1.549 1.00 0.00 N ATOM 261 CA ILE A 96 0.787 0.243 1.008 1.00 0.00 C ATOM 262 C ILE A 96 0.316 -0.177 -0.380 1.00 0.00 C ATOM 263 O ILE A 96 -0.884 -0.230 -0.649 1.00 0.00 O ATOM 264 CB ILE A 96 1.387 1.659 0.928 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.835 2.126 2.314 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.376 2.630 0.336 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.613 3.424 2.293 1.00 0.00 C ATOM 0 H ILE A 96 2.606 -0.292 1.902 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.064 0.256 1.689 1.00 0.00 H new ATOM 0 HB ILE A 96 2.260 1.632 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.957 2.248 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.451 1.350 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.815 3.627 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.102 2.303 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.514 2.657 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.898 3.694 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.510 3.301 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.993 4.213 1.868 1.00 0.00 H new ATOM 279 N MET A 97 1.269 -0.476 -1.257 1.00 0.00 N ATOM 280 CA MET A 97 0.951 -0.895 -2.617 1.00 0.00 C ATOM 281 C MET A 97 -0.152 -1.948 -2.618 1.00 0.00 C ATOM 282 O MET A 97 -1.221 -1.742 -3.194 1.00 0.00 O ATOM 283 CB MET A 97 2.199 -1.446 -3.309 1.00 0.00 C ATOM 284 CG MET A 97 1.948 -1.913 -4.733 1.00 0.00 C ATOM 285 SD MET A 97 3.474 -2.181 -5.655 1.00 0.00 S ATOM 286 CE MET A 97 3.862 -3.866 -5.188 1.00 0.00 C ATOM 0 H MET A 97 2.267 -0.436 -1.050 1.00 0.00 H new ATOM 0 HA MET A 97 0.596 -0.022 -3.165 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.969 -0.675 -3.319 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.590 -2.280 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.374 -2.839 -4.712 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.340 -1.172 -5.252 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.652 -4.250 -5.834 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.198 -3.888 -4.151 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.973 -4.487 -5.295 1.00 0.00 H new ATOM 296 N PHE A 98 0.113 -3.077 -1.969 1.00 0.00 N ATOM 297 CA PHE A 98 -0.857 -4.163 -1.896 1.00 0.00 C ATOM 298 C PHE A 98 -2.188 -3.667 -1.337 1.00 0.00 C ATOM 299 O PHE A 98 -3.241 -4.242 -1.612 1.00 0.00 O ATOM 300 CB PHE A 98 -0.317 -5.300 -1.027 1.00 0.00 C ATOM 301 CG PHE A 98 1.139 -5.590 -1.255 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.617 -5.845 -2.530 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.030 -5.606 -0.194 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.956 -6.112 -2.742 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.370 -5.872 -0.400 1.00 0.00 C ATOM 306 CZ PHE A 98 3.834 -6.125 -1.676 1.00 0.00 C ATOM 0 H PHE A 98 0.992 -3.264 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.024 -4.536 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.469 -5.048 0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.894 -6.203 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.935 -5.835 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.673 -5.408 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.316 -6.310 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.054 -5.882 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.881 -6.333 -1.840 1.00 0.00 H new ATOM 316 N ARG A 99 -2.130 -2.598 -0.550 1.00 0.00 N ATOM 317 CA ARG A 99 -3.329 -2.025 0.050 1.00 0.00 C ATOM 318 C ARG A 99 -4.163 -1.291 -0.996 1.00 0.00 C ATOM 319 O ARG A 99 -5.380 -1.464 -1.067 1.00 0.00 O ATOM 320 CB ARG A 99 -2.951 -1.066 1.180 1.00 0.00 C ATOM 321 CG ARG A 99 -4.099 -0.759 2.128 1.00 0.00 C ATOM 322 CD ARG A 99 -4.868 -2.018 2.498 1.00 0.00 C ATOM 323 NE ARG A 99 -5.961 -2.286 1.567 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.462 -3.497 1.351 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.972 -4.546 1.997 1.00 0.00 N ATOM 326 NH2 ARG A 99 -7.457 -3.661 0.488 1.00 0.00 N ATOM 0 H ARG A 99 -1.266 -2.111 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.926 -2.841 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.126 -1.495 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.589 -0.133 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.710 -0.290 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.775 -0.042 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.186 -2.868 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.268 -1.915 3.507 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.361 -1.500 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.208 -4.424 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.359 -5.475 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.838 -2.857 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.841 -4.592 0.323 1.00 0.00 H new ATOM 340 N ARG A 100 -3.500 -0.472 -1.806 1.00 0.00 N ATOM 341 CA ARG A 100 -4.180 0.289 -2.847 1.00 0.00 C ATOM 342 C ARG A 100 -4.764 -0.641 -3.907 1.00 0.00 C ATOM 343 O ARG A 100 -5.737 -0.300 -4.579 1.00 0.00 O ATOM 344 CB ARG A 100 -3.214 1.280 -3.498 1.00 0.00 C ATOM 345 CG ARG A 100 -2.422 2.106 -2.497 1.00 0.00 C ATOM 346 CD ARG A 100 -2.053 3.467 -3.066 1.00 0.00 C ATOM 347 NE ARG A 100 -3.218 4.179 -3.584 1.00 0.00 N ATOM 348 CZ ARG A 100 -3.148 5.130 -4.508 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.974 5.481 -5.015 1.00 0.00 N ATOM 350 NH2 ARG A 100 -4.253 5.732 -4.929 1.00 0.00 N ATOM 0 H ARG A 100 -2.493 -0.319 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.997 0.841 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.519 0.732 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.778 1.952 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.008 2.237 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.515 1.569 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.577 4.067 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.322 3.340 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.137 3.932 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.122 5.020 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.923 6.212 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.158 5.464 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.197 6.462 -5.639 1.00 0.00 H new ATOM 364 N GLY A 101 -4.160 -1.817 -4.052 1.00 0.00 N ATOM 365 CA GLY A 101 -4.633 -2.777 -5.033 1.00 0.00 C ATOM 366 C GLY A 101 -5.828 -3.569 -4.539 1.00 0.00 C ATOM 367 O GLY A 101 -6.714 -3.917 -5.319 1.00 0.00 O ATOM 0 H GLY A 101 -3.353 -2.122 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.902 -2.252 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.825 -3.464 -5.284 1.00 0.00 H new ATOM 371 N MET A 102 -5.851 -3.855 -3.242 1.00 0.00 N ATOM 372 CA MET A 102 -6.946 -4.611 -2.646 1.00 0.00 C ATOM 373 C MET A 102 -8.041 -3.677 -2.140 1.00 0.00 C ATOM 374 O MET A 102 -9.099 -4.126 -1.701 1.00 0.00 O ATOM 375 CB MET A 102 -6.429 -5.479 -1.497 1.00 0.00 C ATOM 376 CG MET A 102 -5.437 -6.544 -1.939 1.00 0.00 C ATOM 377 SD MET A 102 -4.538 -7.271 -0.556 1.00 0.00 S ATOM 378 CE MET A 102 -5.892 -7.871 0.451 1.00 0.00 C ATOM 0 H MET A 102 -5.124 -3.575 -2.584 1.00 0.00 H new ATOM 0 HA MET A 102 -7.370 -5.255 -3.416 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.955 -4.838 -0.753 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.275 -5.962 -1.008 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.969 -7.330 -2.475 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.726 -6.105 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.499 -8.485 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.437 -7.025 0.869 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.565 -8.469 -0.163 1.00 0.00 H new ATOM 388 N ASP A 103 -7.778 -2.376 -2.204 1.00 0.00 N ATOM 389 CA ASP A 103 -8.741 -1.379 -1.753 1.00 0.00 C ATOM 390 C ASP A 103 -10.163 -1.790 -2.123 1.00 0.00 C ATOM 391 O ASP A 103 -11.096 -1.607 -1.343 1.00 0.00 O ATOM 392 CB ASP A 103 -8.417 -0.014 -2.362 1.00 0.00 C ATOM 393 CG ASP A 103 -9.158 0.231 -3.662 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.871 -0.477 -4.651 1.00 0.00 O ATOM 395 OD2 ASP A 103 -10.024 1.129 -3.691 1.00 0.00 O ATOM 0 H ASP A 103 -6.906 -1.988 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.673 -1.309 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.673 0.769 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.344 0.056 -2.540 1.00 0.00 H new ATOM 400 N GLY A 104 -10.320 -2.346 -3.321 1.00 0.00 N ATOM 401 CA GLY A 104 -11.631 -2.774 -3.774 1.00 0.00 C ATOM 402 C GLY A 104 -12.342 -3.641 -2.755 1.00 0.00 C ATOM 403 O GLY A 104 -13.493 -3.381 -2.402 1.00 0.00 O ATOM 0 H GLY A 104 -9.563 -2.508 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.242 -1.897 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.527 -3.327 -4.707 1.00 0.00 H new ATOM 407 N LEU A 105 -11.658 -4.677 -2.282 1.00 0.00 N ATOM 408 CA LEU A 105 -12.232 -5.588 -1.297 1.00 0.00 C ATOM 409 C LEU A 105 -12.744 -4.823 -0.081 1.00 0.00 C ATOM 410 O LEU A 105 -13.891 -4.990 0.333 1.00 0.00 O ATOM 411 CB LEU A 105 -11.192 -6.622 -0.863 1.00 0.00 C ATOM 412 CG LEU A 105 -10.600 -7.487 -1.977 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.315 -8.153 -1.510 1.00 0.00 C ATOM 414 CD2 LEU A 105 -11.609 -8.531 -2.434 1.00 0.00 C ATOM 0 H LEU A 105 -10.705 -4.907 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.074 -6.102 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.376 -6.100 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.649 -7.280 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.364 -6.843 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.908 -8.764 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.589 -7.389 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.525 -8.784 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.171 -9.138 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.876 -9.171 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.503 -8.033 -2.810 1.00 0.00 H new ATOM 426 N PHE A 106 -11.886 -3.982 0.487 1.00 0.00 N ATOM 427 CA PHE A 106 -12.251 -3.190 1.656 1.00 0.00 C ATOM 428 C PHE A 106 -13.504 -2.364 1.382 1.00 0.00 C ATOM 429 O PHE A 106 -14.121 -1.829 2.302 1.00 0.00 O ATOM 430 CB PHE A 106 -11.096 -2.270 2.056 1.00 0.00 C ATOM 431 CG PHE A 106 -10.066 -2.941 2.918 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.389 -4.062 2.467 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.774 -2.450 4.181 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.441 -4.682 3.259 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.827 -3.065 4.977 1.00 0.00 C ATOM 436 CZ PHE A 106 -8.159 -4.182 4.515 1.00 0.00 C ATOM 0 H PHE A 106 -10.933 -3.831 0.157 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.461 -3.875 2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.614 -1.893 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.497 -1.407 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.604 -4.456 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.293 -1.576 4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.921 -5.556 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.609 -2.673 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.417 -4.664 5.135 1.00 0.00 H new ATOM 446 N ASN A 107 -13.874 -2.264 0.109 1.00 0.00 N ATOM 447 CA ASN A 107 -15.052 -1.502 -0.287 1.00 0.00 C ATOM 448 C ASN A 107 -16.330 -2.278 0.017 1.00 0.00 C ATOM 449 O ASN A 107 -17.287 -1.731 0.566 1.00 0.00 O ATOM 450 CB ASN A 107 -14.990 -1.165 -1.778 1.00 0.00 C ATOM 451 CG ASN A 107 -15.817 0.057 -2.130 1.00 0.00 C ATOM 452 OD1 ASN A 107 -17.132 -0.058 -1.986 1.00 0.00 O flip ATOM 453 ND2 ASN A 107 -15.279 1.091 -2.527 1.00 0.00 N flip ATOM 0 H ASN A 107 -13.375 -2.701 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.065 -0.576 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.953 -0.994 -2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.344 -2.019 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.264 1.134 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.848 1.905 -2.760 1.00 0.00 H new ATOM 460 N THR A 108 -16.338 -3.558 -0.342 1.00 0.00 N ATOM 461 CA THR A 108 -17.497 -4.410 -0.109 1.00 0.00 C ATOM 462 C THR A 108 -17.119 -5.640 0.708 1.00 0.00 C ATOM 463 O THR A 108 -16.879 -6.714 0.155 1.00 0.00 O ATOM 464 CB THR A 108 -18.137 -4.864 -1.434 1.00 0.00 C ATOM 465 OG1 THR A 108 -18.560 -3.724 -2.190 1.00 0.00 O ATOM 466 CG2 THR A 108 -19.326 -5.777 -1.176 1.00 0.00 C ATOM 0 H THR A 108 -15.554 -4.027 -0.796 1.00 0.00 H new ATOM 0 HA THR A 108 -18.220 -3.815 0.449 1.00 0.00 H new ATOM 0 HB THR A 108 -17.390 -5.419 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 108 -18.964 -4.021 -3.032 1.00 0.00 H new ATOM 0 HG21 THR A 108 -19.762 -6.085 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.996 -6.658 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.074 -5.243 -0.590 1.00 0.00 H new ATOM 474 N SER A 109 -17.068 -5.478 2.026 1.00 0.00 N ATOM 475 CA SER A 109 -16.716 -6.576 2.919 1.00 0.00 C ATOM 476 C SER A 109 -16.946 -6.186 4.376 1.00 0.00 C ATOM 477 O SER A 109 -16.582 -5.090 4.803 1.00 0.00 O ATOM 478 CB SER A 109 -15.256 -6.981 2.711 1.00 0.00 C ATOM 479 OG SER A 109 -15.126 -7.883 1.626 1.00 0.00 O ATOM 0 H SER A 109 -17.266 -4.597 2.500 1.00 0.00 H new ATOM 0 HA SER A 109 -17.358 -7.425 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.652 -6.093 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.871 -7.443 3.620 1.00 0.00 H new ATOM 0 HG SER A 109 -15.677 -7.575 0.877 1.00 0.00 H new ATOM 485 N LYS A 110 -17.552 -7.092 5.136 1.00 0.00 N ATOM 486 CA LYS A 110 -17.830 -6.846 6.545 1.00 0.00 C ATOM 487 C LYS A 110 -16.558 -6.959 7.379 1.00 0.00 C ATOM 488 O LYS A 110 -16.202 -6.037 8.113 1.00 0.00 O ATOM 489 CB LYS A 110 -18.879 -7.835 7.059 1.00 0.00 C ATOM 490 CG LYS A 110 -19.228 -7.644 8.525 1.00 0.00 C ATOM 491 CD LYS A 110 -19.969 -8.848 9.083 1.00 0.00 C ATOM 492 CE LYS A 110 -20.925 -8.447 10.197 1.00 0.00 C ATOM 493 NZ LYS A 110 -21.873 -9.544 10.535 1.00 0.00 N ATOM 0 H LYS A 110 -17.860 -8.004 4.799 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.217 -5.832 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -19.785 -7.733 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.512 -8.851 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.316 -7.479 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.843 -6.751 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -20.525 -9.337 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.251 -9.575 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -20.354 -8.174 11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -21.486 -7.563 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -22.507 -9.232 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -22.435 -9.788 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -21.339 -10.380 10.849 1.00 0.00 H new ATOM 507 N SER A 111 -15.876 -8.093 7.260 1.00 0.00 N ATOM 508 CA SER A 111 -14.644 -8.327 8.004 1.00 0.00 C ATOM 509 C SER A 111 -13.457 -8.474 7.058 1.00 0.00 C ATOM 510 O SER A 111 -13.393 -9.414 6.266 1.00 0.00 O ATOM 511 CB SER A 111 -14.778 -9.580 8.872 1.00 0.00 C ATOM 512 OG SER A 111 -13.542 -9.912 9.481 1.00 0.00 O ATOM 0 H SER A 111 -16.156 -8.865 6.655 1.00 0.00 H new ATOM 0 HA SER A 111 -14.468 -7.465 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.533 -9.415 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.122 -10.415 8.261 1.00 0.00 H new ATOM 0 HG SER A 111 -13.654 -10.715 10.032 1.00 0.00 H new ATOM 518 N ASN A 112 -12.518 -7.538 7.146 1.00 0.00 N ATOM 519 CA ASN A 112 -11.332 -7.562 6.297 1.00 0.00 C ATOM 520 C ASN A 112 -10.201 -8.338 6.965 1.00 0.00 C ATOM 521 O ASN A 112 -9.041 -7.930 6.918 1.00 0.00 O ATOM 522 CB ASN A 112 -10.873 -6.136 5.986 1.00 0.00 C ATOM 523 CG ASN A 112 -10.851 -5.254 7.219 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.383 -5.664 8.281 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.359 -4.034 7.083 1.00 0.00 N ATOM 0 H ASN A 112 -12.555 -6.753 7.797 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.593 -8.064 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.876 -6.166 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.537 -5.698 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.372 -3.395 7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.736 -3.736 6.183 1.00 0.00 H new ATOM 532 N LYS A 113 -10.547 -9.460 7.586 1.00 0.00 N ATOM 533 CA LYS A 113 -9.563 -10.296 8.263 1.00 0.00 C ATOM 534 C LYS A 113 -8.664 -11.003 7.254 1.00 0.00 C ATOM 535 O LYS A 113 -7.438 -10.930 7.341 1.00 0.00 O ATOM 536 CB LYS A 113 -10.262 -11.328 9.150 1.00 0.00 C ATOM 537 CG LYS A 113 -10.693 -10.778 10.499 1.00 0.00 C ATOM 538 CD LYS A 113 -9.513 -10.636 11.446 1.00 0.00 C ATOM 539 CE LYS A 113 -9.076 -11.984 11.999 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.004 -12.477 13.055 1.00 0.00 N ATOM 0 H LYS A 113 -11.503 -9.812 7.635 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.944 -9.651 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.138 -11.711 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.591 -12.172 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.169 -9.807 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -11.438 -11.439 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.679 -10.169 10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.783 -9.974 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.029 -12.711 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.070 -11.899 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.619 -13.346 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.109 -11.751 13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.933 -12.679 12.634 1.00 0.00 H new ATOM 554 N HIS A 114 -9.282 -11.688 6.296 1.00 0.00 N ATOM 555 CA HIS A 114 -8.537 -12.407 5.269 1.00 0.00 C ATOM 556 C HIS A 114 -7.709 -11.443 4.424 1.00 0.00 C ATOM 557 O HIS A 114 -6.585 -11.756 4.029 1.00 0.00 O ATOM 558 CB HIS A 114 -9.493 -13.196 4.374 1.00 0.00 C ATOM 559 CG HIS A 114 -8.799 -14.142 3.443 1.00 0.00 C ATOM 560 ND1 HIS A 114 -8.729 -15.501 3.666 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.144 -13.919 2.280 1.00 0.00 C ATOM 562 CE1 HIS A 114 -8.059 -16.072 2.681 1.00 0.00 C ATOM 563 NE2 HIS A 114 -7.693 -15.134 1.826 1.00 0.00 N ATOM 0 H HIS A 114 -10.296 -11.760 6.210 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.859 -13.102 5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.184 -13.759 5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.091 -12.497 3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.002 -12.963 1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -7.847 -17.127 2.590 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -7.162 -15.287 0.969 1.00 0.00 H new ATOM 571 N LEU A 115 -8.272 -10.272 4.149 1.00 0.00 N ATOM 572 CA LEU A 115 -7.586 -9.262 3.350 1.00 0.00 C ATOM 573 C LEU A 115 -6.262 -8.865 3.994 1.00 0.00 C ATOM 574 O LEU A 115 -5.208 -8.927 3.360 1.00 0.00 O ATOM 575 CB LEU A 115 -8.474 -8.028 3.179 1.00 0.00 C ATOM 576 CG LEU A 115 -9.960 -8.299 2.944 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.671 -7.027 2.508 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.145 -9.397 1.908 1.00 0.00 C ATOM 0 H LEU A 115 -9.202 -9.998 4.467 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.378 -9.690 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.375 -7.407 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.094 -7.445 2.340 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.401 -8.635 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.728 -7.238 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.568 -6.268 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.227 -6.661 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.209 -9.576 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.689 -9.090 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.670 -10.313 2.260 1.00 0.00 H new ATOM 590 N TRP A 116 -6.323 -8.460 5.257 1.00 0.00 N ATOM 591 CA TRP A 116 -5.128 -8.054 5.988 1.00 0.00 C ATOM 592 C TRP A 116 -4.176 -9.232 6.172 1.00 0.00 C ATOM 593 O TRP A 116 -2.963 -9.051 6.265 1.00 0.00 O ATOM 594 CB TRP A 116 -5.510 -7.475 7.351 1.00 0.00 C ATOM 595 CG TRP A 116 -5.966 -6.049 7.284 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.217 -5.575 7.556 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.175 -4.913 6.919 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.252 -4.212 7.382 1.00 0.00 N ATOM 599 CE2 TRP A 116 -6.011 -3.782 6.992 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.841 -4.741 6.540 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.555 -2.499 6.699 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.390 -3.467 6.249 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.245 -2.360 6.330 1.00 0.00 C ATOM 0 H TRP A 116 -7.187 -8.404 5.796 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.619 -7.286 5.405 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.303 -8.083 7.786 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.652 -7.544 8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.056 -6.182 7.863 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.069 -3.617 7.521 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.174 -5.588 6.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.212 -1.644 6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.361 -3.323 5.954 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.862 -1.377 6.096 1.00 0.00 H new ATOM 614 N GLU A 117 -4.735 -10.437 6.222 1.00 0.00 N ATOM 615 CA GLU A 117 -3.935 -11.643 6.395 1.00 0.00 C ATOM 616 C GLU A 117 -3.132 -11.948 5.134 1.00 0.00 C ATOM 617 O GLU A 117 -1.903 -12.007 5.168 1.00 0.00 O ATOM 618 CB GLU A 117 -4.832 -12.833 6.742 1.00 0.00 C ATOM 619 CG GLU A 117 -5.064 -13.006 8.233 1.00 0.00 C ATOM 620 CD GLU A 117 -5.302 -14.452 8.622 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.312 -15.171 8.873 1.00 0.00 O ATOM 622 OE2 GLU A 117 -6.479 -14.866 8.676 1.00 0.00 O ATOM 0 H GLU A 117 -5.738 -10.604 6.145 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.239 -11.471 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.794 -12.709 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.383 -13.743 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.201 -12.624 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.922 -12.406 8.535 1.00 0.00 H new ATOM 629 N GLN A 118 -3.836 -12.143 4.024 1.00 0.00 N ATOM 630 CA GLN A 118 -3.189 -12.443 2.752 1.00 0.00 C ATOM 631 C GLN A 118 -2.050 -11.467 2.476 1.00 0.00 C ATOM 632 O GLN A 118 -0.984 -11.861 2.003 1.00 0.00 O ATOM 633 CB GLN A 118 -4.208 -12.391 1.612 1.00 0.00 C ATOM 634 CG GLN A 118 -4.356 -11.012 0.991 1.00 0.00 C ATOM 635 CD GLN A 118 -5.231 -11.020 -0.247 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.800 -10.619 -1.329 1.00 0.00 O ATOM 637 NE2 GLN A 118 -6.468 -11.478 -0.095 1.00 0.00 N ATOM 0 H GLN A 118 -4.854 -12.099 3.979 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.774 -13.449 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.911 -13.099 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -5.178 -12.717 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.781 -10.330 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.370 -10.627 0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.784 -11.800 0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.103 -11.507 -0.893 1.00 0.00 H new ATOM 646 N ILE A 119 -2.283 -10.194 2.776 1.00 0.00 N ATOM 647 CA ILE A 119 -1.276 -9.162 2.561 1.00 0.00 C ATOM 648 C ILE A 119 -0.011 -9.453 3.361 1.00 0.00 C ATOM 649 O ILE A 119 1.055 -9.688 2.793 1.00 0.00 O ATOM 650 CB ILE A 119 -1.806 -7.769 2.948 1.00 0.00 C ATOM 651 CG1 ILE A 119 -2.936 -7.349 2.006 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.679 -6.747 2.921 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.768 -6.201 2.534 1.00 0.00 C ATOM 0 H ILE A 119 -3.160 -9.852 3.169 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.039 -9.169 1.497 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.203 -7.817 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.509 -7.065 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.586 -8.206 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.069 -5.767 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.096 -7.041 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.255 -6.699 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.550 -5.957 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.224 -6.488 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.131 -5.330 2.687 1.00 0.00 H new ATOM 665 N SER A 120 -0.138 -9.438 4.684 1.00 0.00 N ATOM 666 CA SER A 120 0.995 -9.698 5.564 1.00 0.00 C ATOM 667 C SER A 120 1.886 -10.798 4.992 1.00 0.00 C ATOM 668 O SER A 120 3.112 -10.706 5.039 1.00 0.00 O ATOM 669 CB SER A 120 0.506 -10.097 6.957 1.00 0.00 C ATOM 670 OG SER A 120 1.591 -10.453 7.796 1.00 0.00 O ATOM 0 H SER A 120 -1.015 -9.248 5.170 1.00 0.00 H new ATOM 0 HA SER A 120 1.581 -8.782 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.046 -9.270 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.186 -10.935 6.877 1.00 0.00 H new ATOM 0 HG SER A 120 1.248 -10.852 8.623 1.00 0.00 H new ATOM 676 N SER A 121 1.258 -11.837 4.451 1.00 0.00 N ATOM 677 CA SER A 121 1.992 -12.957 3.873 1.00 0.00 C ATOM 678 C SER A 121 2.600 -12.571 2.528 1.00 0.00 C ATOM 679 O SER A 121 3.755 -12.887 2.242 1.00 0.00 O ATOM 680 CB SER A 121 1.069 -14.165 3.700 1.00 0.00 C ATOM 681 OG SER A 121 1.683 -15.167 2.910 1.00 0.00 O ATOM 0 H SER A 121 0.243 -11.927 4.401 1.00 0.00 H new ATOM 0 HA SER A 121 2.800 -13.221 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.813 -14.574 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.136 -13.850 3.232 1.00 0.00 H new ATOM 0 HG SER A 121 1.073 -15.929 2.816 1.00 0.00 H new ATOM 687 N LYS A 122 1.814 -11.886 1.705 1.00 0.00 N ATOM 688 CA LYS A 122 2.273 -11.454 0.390 1.00 0.00 C ATOM 689 C LYS A 122 3.560 -10.643 0.502 1.00 0.00 C ATOM 690 O LYS A 122 4.474 -10.798 -0.307 1.00 0.00 O ATOM 691 CB LYS A 122 1.191 -10.623 -0.303 1.00 0.00 C ATOM 692 CG LYS A 122 0.103 -11.460 -0.953 1.00 0.00 C ATOM 693 CD LYS A 122 -0.603 -10.695 -2.059 1.00 0.00 C ATOM 694 CE LYS A 122 0.188 -10.735 -3.358 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.297 -9.720 -4.334 1.00 0.00 N ATOM 0 H LYS A 122 0.855 -11.618 1.925 1.00 0.00 H new ATOM 0 HA LYS A 122 2.476 -12.343 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.735 -9.954 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.658 -9.996 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.539 -12.372 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.623 -11.764 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.593 -11.120 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.747 -9.659 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.243 -10.560 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.112 -11.729 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.267 -9.779 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.297 -9.902 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.201 -8.769 -3.923 1.00 0.00 H new ATOM 709 N MET A 123 3.623 -9.779 1.510 1.00 0.00 N ATOM 710 CA MET A 123 4.799 -8.945 1.728 1.00 0.00 C ATOM 711 C MET A 123 5.872 -9.709 2.498 1.00 0.00 C ATOM 712 O MET A 123 7.060 -9.406 2.392 1.00 0.00 O ATOM 713 CB MET A 123 4.416 -7.674 2.489 1.00 0.00 C ATOM 714 CG MET A 123 3.927 -7.937 3.903 1.00 0.00 C ATOM 715 SD MET A 123 5.278 -8.199 5.068 1.00 0.00 S ATOM 716 CE MET A 123 5.737 -6.508 5.440 1.00 0.00 C ATOM 0 H MET A 123 2.874 -9.638 2.188 1.00 0.00 H new ATOM 0 HA MET A 123 5.203 -8.668 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.280 -7.010 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.637 -7.150 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 123 3.323 -7.093 4.237 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.278 -8.813 3.902 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.796 -6.466 5.693 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.546 -5.879 4.570 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.148 -6.148 6.284 1.00 0.00 H new ATOM 726 N ARG A 124 5.444 -10.700 3.274 1.00 0.00 N ATOM 727 CA ARG A 124 6.368 -11.505 4.063 1.00 0.00 C ATOM 728 C ARG A 124 7.176 -12.440 3.167 1.00 0.00 C ATOM 729 O ARG A 124 8.373 -12.633 3.377 1.00 0.00 O ATOM 730 CB ARG A 124 5.603 -12.319 5.109 1.00 0.00 C ATOM 731 CG ARG A 124 6.505 -13.097 6.053 1.00 0.00 C ATOM 732 CD ARG A 124 5.773 -14.275 6.678 1.00 0.00 C ATOM 733 NE ARG A 124 6.680 -15.164 7.398 1.00 0.00 N ATOM 734 CZ ARG A 124 6.394 -16.428 7.689 1.00 0.00 C ATOM 735 NH1 ARG A 124 5.231 -16.949 7.323 1.00 0.00 N ATOM 736 NH2 ARG A 124 7.272 -17.174 8.348 1.00 0.00 N ATOM 0 H ARG A 124 4.464 -10.964 3.373 1.00 0.00 H new ATOM 0 HA ARG A 124 7.057 -10.830 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.975 -11.646 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.937 -13.016 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.379 -13.457 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.869 -12.435 6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.009 -13.905 7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.258 -14.837 5.899 1.00 0.00 H new ATOM 0 HE ARG A 124 7.583 -14.794 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.553 -16.379 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.014 -17.920 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 124 8.168 -16.777 8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.051 -18.145 8.571 1.00 0.00 H new ATOM 750 N GLU A 125 6.512 -13.016 2.170 1.00 0.00 N ATOM 751 CA GLU A 125 7.170 -13.931 1.244 1.00 0.00 C ATOM 752 C GLU A 125 8.375 -13.266 0.586 1.00 0.00 C ATOM 753 O GLU A 125 9.385 -13.915 0.313 1.00 0.00 O ATOM 754 CB GLU A 125 6.184 -14.402 0.172 1.00 0.00 C ATOM 755 CG GLU A 125 6.129 -13.493 -1.045 1.00 0.00 C ATOM 756 CD GLU A 125 5.148 -13.981 -2.093 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.009 -14.333 -1.720 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.518 -14.011 -3.285 1.00 0.00 O ATOM 0 H GLU A 125 5.521 -12.866 1.983 1.00 0.00 H new ATOM 0 HA GLU A 125 7.519 -14.794 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.460 -15.407 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.188 -14.469 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.849 -12.488 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.123 -13.423 -1.487 1.00 0.00 H new ATOM 765 N LYS A 126 8.261 -11.966 0.332 1.00 0.00 N ATOM 766 CA LYS A 126 9.340 -11.211 -0.293 1.00 0.00 C ATOM 767 C LYS A 126 10.655 -11.423 0.450 1.00 0.00 C ATOM 768 O LYS A 126 11.727 -11.421 -0.153 1.00 0.00 O ATOM 769 CB LYS A 126 8.994 -9.720 -0.326 1.00 0.00 C ATOM 770 CG LYS A 126 7.667 -9.418 -0.999 1.00 0.00 C ATOM 771 CD LYS A 126 7.809 -9.359 -2.511 1.00 0.00 C ATOM 772 CE LYS A 126 6.453 -9.366 -3.199 1.00 0.00 C ATOM 773 NZ LYS A 126 6.539 -9.893 -4.589 1.00 0.00 N ATOM 0 H LYS A 126 7.432 -11.414 0.550 1.00 0.00 H new ATOM 0 HA LYS A 126 9.459 -11.573 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.969 -9.339 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.787 -9.183 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.939 -10.184 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.280 -8.468 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.356 -8.459 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.397 -10.209 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.756 -9.975 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.051 -8.353 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.594 -9.881 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.184 -9.298 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.899 -10.869 -4.569 1.00 0.00 H new ATOM 787 N GLY A 127 10.564 -11.607 1.764 1.00 0.00 N ATOM 788 CA GLY A 127 11.754 -11.819 2.567 1.00 0.00 C ATOM 789 C GLY A 127 11.798 -10.919 3.786 1.00 0.00 C ATOM 790 O GLY A 127 12.864 -10.439 4.174 1.00 0.00 O ATOM 0 H GLY A 127 9.688 -11.613 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.792 -12.860 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.638 -11.640 1.955 1.00 0.00 H new ATOM 794 N PHE A 128 10.638 -10.688 4.392 1.00 0.00 N ATOM 795 CA PHE A 128 10.548 -9.837 5.573 1.00 0.00 C ATOM 796 C PHE A 128 9.537 -10.396 6.570 1.00 0.00 C ATOM 797 O PHE A 128 8.327 -10.304 6.361 1.00 0.00 O ATOM 798 CB PHE A 128 10.154 -8.413 5.173 1.00 0.00 C ATOM 799 CG PHE A 128 10.789 -7.953 3.892 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.089 -7.474 3.881 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.086 -7.999 2.699 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.675 -7.049 2.703 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.667 -7.576 1.519 1.00 0.00 C ATOM 804 CZ PHE A 128 11.964 -7.101 1.521 1.00 0.00 C ATOM 0 H PHE A 128 9.747 -11.078 4.085 1.00 0.00 H new ATOM 0 HA PHE A 128 11.528 -9.815 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.070 -8.359 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.433 -7.729 5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.651 -7.432 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.072 -8.370 2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.689 -6.676 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.108 -7.617 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.421 -6.771 0.600 1.00 0.00 H new ATOM 814 N ASP A 129 10.042 -10.975 7.653 1.00 0.00 N ATOM 815 CA ASP A 129 9.184 -11.548 8.684 1.00 0.00 C ATOM 816 C ASP A 129 8.313 -10.473 9.326 1.00 0.00 C ATOM 817 O ASP A 129 8.819 -9.546 9.958 1.00 0.00 O ATOM 818 CB ASP A 129 10.030 -12.243 9.753 1.00 0.00 C ATOM 819 CG ASP A 129 10.407 -11.311 10.887 1.00 0.00 C ATOM 820 OD1 ASP A 129 11.110 -10.312 10.627 1.00 0.00 O ATOM 821 OD2 ASP A 129 10.000 -11.581 12.036 1.00 0.00 O ATOM 0 H ASP A 129 11.041 -11.060 7.840 1.00 0.00 H new ATOM 0 HA ASP A 129 8.532 -12.284 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.478 -13.093 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.936 -12.639 9.295 1.00 0.00 H new ATOM 826 N ARG A 130 7.001 -10.604 9.158 1.00 0.00 N ATOM 827 CA ARG A 130 6.060 -9.642 9.719 1.00 0.00 C ATOM 828 C ARG A 130 4.774 -10.335 10.161 1.00 0.00 C ATOM 829 O ARG A 130 4.487 -11.457 9.744 1.00 0.00 O ATOM 830 CB ARG A 130 5.739 -8.553 8.694 1.00 0.00 C ATOM 831 CG ARG A 130 6.755 -7.423 8.667 1.00 0.00 C ATOM 832 CD ARG A 130 6.431 -6.357 9.702 1.00 0.00 C ATOM 833 NE ARG A 130 6.611 -6.846 11.066 1.00 0.00 N ATOM 834 CZ ARG A 130 7.799 -7.029 11.631 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.907 -6.764 10.952 1.00 0.00 N ATOM 836 NH2 ARG A 130 7.881 -7.477 12.877 1.00 0.00 N ATOM 0 H ARG A 130 6.566 -11.366 8.638 1.00 0.00 H new ATOM 0 HA ARG A 130 6.524 -9.183 10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.683 -9.004 7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.754 -8.140 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.751 -7.823 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 130 6.775 -6.974 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.070 -5.489 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.402 -6.024 9.569 1.00 0.00 H new ATOM 0 HE ARG A 130 5.778 -7.059 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.848 -6.419 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.818 -6.905 11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.031 -7.681 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.794 -7.617 13.310 1.00 0.00 H new ATOM 850 N SER A 131 4.005 -9.659 11.008 1.00 0.00 N ATOM 851 CA SER A 131 2.752 -10.210 11.511 1.00 0.00 C ATOM 852 C SER A 131 1.559 -9.419 10.982 1.00 0.00 C ATOM 853 O SER A 131 1.688 -8.281 10.529 1.00 0.00 O ATOM 854 CB SER A 131 2.745 -10.204 13.040 1.00 0.00 C ATOM 855 OG SER A 131 3.283 -11.409 13.558 1.00 0.00 O ATOM 0 H SER A 131 4.228 -8.728 11.361 1.00 0.00 H new ATOM 0 HA SER A 131 2.669 -11.238 11.159 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.325 -9.357 13.406 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.725 -10.073 13.401 1.00 0.00 H new ATOM 0 HG SER A 131 3.269 -11.379 14.537 1.00 0.00 H new ATOM 861 N PRO A 132 0.369 -10.035 11.040 1.00 0.00 N ATOM 862 CA PRO A 132 -0.870 -9.408 10.571 1.00 0.00 C ATOM 863 C PRO A 132 -1.312 -8.257 11.469 1.00 0.00 C ATOM 864 O PRO A 132 -1.966 -7.319 11.014 1.00 0.00 O ATOM 865 CB PRO A 132 -1.888 -10.550 10.626 1.00 0.00 C ATOM 866 CG PRO A 132 -1.356 -11.483 11.658 1.00 0.00 C ATOM 867 CD PRO A 132 0.142 -11.391 11.567 1.00 0.00 C ATOM 0 HA PRO A 132 -0.755 -8.968 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.879 -10.184 10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.983 -11.043 9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.704 -11.204 12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.696 -12.502 11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.613 -11.528 12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.552 -12.153 10.905 1.00 0.00 H new ATOM 875 N ASP A 133 -0.952 -8.337 12.745 1.00 0.00 N ATOM 876 CA ASP A 133 -1.310 -7.300 13.706 1.00 0.00 C ATOM 877 C ASP A 133 -0.470 -6.045 13.491 1.00 0.00 C ATOM 878 O ASP A 133 -0.900 -4.937 13.808 1.00 0.00 O ATOM 879 CB ASP A 133 -1.125 -7.814 15.135 1.00 0.00 C ATOM 880 CG ASP A 133 -1.995 -7.076 16.133 1.00 0.00 C ATOM 881 OD1 ASP A 133 -3.196 -6.887 15.848 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.475 -6.687 17.200 1.00 0.00 O ATOM 0 H ASP A 133 -0.413 -9.109 13.138 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.358 -7.044 13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.361 -8.878 15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -0.079 -7.710 15.423 1.00 0.00 H new ATOM 887 N MET A 134 0.730 -6.228 12.950 1.00 0.00 N ATOM 888 CA MET A 134 1.630 -5.110 12.692 1.00 0.00 C ATOM 889 C MET A 134 1.137 -4.275 11.515 1.00 0.00 C ATOM 890 O MET A 134 1.158 -3.045 11.562 1.00 0.00 O ATOM 891 CB MET A 134 3.045 -5.621 12.413 1.00 0.00 C ATOM 892 CG MET A 134 3.630 -6.443 13.551 1.00 0.00 C ATOM 893 SD MET A 134 4.520 -5.434 14.751 1.00 0.00 S ATOM 894 CE MET A 134 3.177 -4.481 15.455 1.00 0.00 C ATOM 0 H MET A 134 1.101 -7.139 12.682 1.00 0.00 H new ATOM 0 HA MET A 134 1.648 -4.478 13.580 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.031 -6.227 11.507 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.698 -4.770 12.217 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.827 -6.979 14.057 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.306 -7.194 13.142 1.00 0.00 H new ATOM 0 HE1 MET A 134 3.455 -4.144 16.454 1.00 0.00 H new ATOM 0 HE2 MET A 134 2.974 -3.616 14.823 1.00 0.00 H new ATOM 0 HE3 MET A 134 2.284 -5.102 15.517 1.00 0.00 H new ATOM 904 N CYS A 135 0.694 -4.952 10.460 1.00 0.00 N ATOM 905 CA CYS A 135 0.197 -4.272 9.270 1.00 0.00 C ATOM 906 C CYS A 135 -1.074 -3.489 9.582 1.00 0.00 C ATOM 907 O CYS A 135 -1.189 -2.310 9.245 1.00 0.00 O ATOM 908 CB CYS A 135 -0.074 -5.283 8.155 1.00 0.00 C ATOM 909 SG CYS A 135 1.413 -6.082 7.506 1.00 0.00 S ATOM 0 H CYS A 135 0.669 -5.970 10.405 1.00 0.00 H new ATOM 0 HA CYS A 135 0.962 -3.571 8.937 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.751 -6.050 8.531 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.588 -4.777 7.338 1.00 0.00 H new ATOM 0 HG CYS A 135 1.112 -6.756 6.436 1.00 0.00 H new ATOM 915 N THR A 136 -2.029 -4.152 10.227 1.00 0.00 N ATOM 916 CA THR A 136 -3.293 -3.520 10.582 1.00 0.00 C ATOM 917 C THR A 136 -3.063 -2.241 11.379 1.00 0.00 C ATOM 918 O THR A 136 -3.551 -1.172 11.011 1.00 0.00 O ATOM 919 CB THR A 136 -4.185 -4.470 11.404 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.404 -5.685 10.679 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.521 -3.816 11.724 1.00 0.00 C ATOM 0 H THR A 136 -1.950 -5.128 10.514 1.00 0.00 H new ATOM 0 HA THR A 136 -3.798 -3.277 9.647 1.00 0.00 H new ATOM 0 HB THR A 136 -3.674 -4.693 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.622 -6.268 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.134 -4.505 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.352 -2.907 12.301 1.00 0.00 H new ATOM 0 HG23 THR A 136 -6.036 -3.567 10.796 1.00 0.00 H new ATOM 929 N ASP A 137 -2.317 -2.357 12.473 1.00 0.00 N ATOM 930 CA ASP A 137 -2.020 -1.208 13.321 1.00 0.00 C ATOM 931 C ASP A 137 -1.236 -0.151 12.550 1.00 0.00 C ATOM 932 O ASP A 137 -1.542 1.039 12.621 1.00 0.00 O ATOM 933 CB ASP A 137 -1.230 -1.649 14.554 1.00 0.00 C ATOM 934 CG ASP A 137 -1.330 -0.653 15.692 1.00 0.00 C ATOM 935 OD1 ASP A 137 -1.122 0.553 15.444 1.00 0.00 O ATOM 936 OD2 ASP A 137 -1.615 -1.079 16.831 1.00 0.00 O ATOM 0 H ASP A 137 -1.907 -3.235 12.793 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.965 -0.770 13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.598 -2.618 14.890 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.183 -1.782 14.283 1.00 0.00 H new ATOM 941 N LYS A 138 -0.222 -0.594 11.814 1.00 0.00 N ATOM 942 CA LYS A 138 0.607 0.313 11.029 1.00 0.00 C ATOM 943 C LYS A 138 -0.251 1.189 10.123 1.00 0.00 C ATOM 944 O LYS A 138 -0.137 2.415 10.139 1.00 0.00 O ATOM 945 CB LYS A 138 1.611 -0.479 10.189 1.00 0.00 C ATOM 946 CG LYS A 138 2.490 0.393 9.308 1.00 0.00 C ATOM 947 CD LYS A 138 3.591 1.064 10.111 1.00 0.00 C ATOM 948 CE LYS A 138 4.319 2.115 9.288 1.00 0.00 C ATOM 949 NZ LYS A 138 5.442 2.735 10.046 1.00 0.00 N ATOM 0 H LYS A 138 0.045 -1.576 11.745 1.00 0.00 H new ATOM 0 HA LYS A 138 1.150 0.958 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.245 -1.065 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.069 -1.186 9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.933 -0.215 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.879 1.153 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.163 1.528 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.302 0.313 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.705 1.659 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.615 2.890 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.025 3.304 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.059 3.346 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.027 1.988 10.473 1.00 0.00 H new ATOM 963 N TRP A 139 -1.111 0.554 9.336 1.00 0.00 N ATOM 964 CA TRP A 139 -1.991 1.276 8.424 1.00 0.00 C ATOM 965 C TRP A 139 -2.762 2.365 9.161 1.00 0.00 C ATOM 966 O TRP A 139 -2.814 3.512 8.715 1.00 0.00 O ATOM 967 CB TRP A 139 -2.966 0.310 7.750 1.00 0.00 C ATOM 968 CG TRP A 139 -3.781 0.948 6.666 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.096 1.312 6.736 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.336 1.295 5.351 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.494 1.865 5.543 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.433 1.866 4.677 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.117 1.180 4.677 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.346 2.319 3.363 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.032 1.630 3.373 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.140 2.195 2.728 1.00 0.00 C ATOM 0 H TRP A 139 -1.218 -0.460 9.311 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.373 1.748 7.660 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.406 -0.525 7.330 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.637 -0.103 8.504 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.729 1.184 7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.428 2.218 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.257 0.747 5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.200 2.753 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.095 1.545 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.040 2.540 1.709 1.00 0.00 H new ATOM 987 N ARG A 140 -3.361 2.000 10.290 1.00 0.00 N ATOM 988 CA ARG A 140 -4.131 2.947 11.087 1.00 0.00 C ATOM 989 C ARG A 140 -3.358 4.248 11.282 1.00 0.00 C ATOM 990 O ARG A 140 -3.853 5.329 10.966 1.00 0.00 O ATOM 991 CB ARG A 140 -4.477 2.338 12.447 1.00 0.00 C ATOM 992 CG ARG A 140 -5.722 1.466 12.425 1.00 0.00 C ATOM 993 CD ARG A 140 -6.139 1.056 13.828 1.00 0.00 C ATOM 994 NE ARG A 140 -6.749 2.160 14.564 1.00 0.00 N ATOM 995 CZ ARG A 140 -7.328 2.021 15.751 1.00 0.00 C ATOM 996 NH1 ARG A 140 -7.374 0.832 16.335 1.00 0.00 N ATOM 997 NH2 ARG A 140 -7.862 3.074 16.357 1.00 0.00 N ATOM 0 H ARG A 140 -3.328 1.055 10.673 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.053 3.170 10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.633 1.742 12.794 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.619 3.141 13.170 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.538 2.007 11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.533 0.576 11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.844 0.227 13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -5.267 0.695 14.374 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.729 3.089 14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.964 0.021 15.873 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.819 0.729 17.247 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.828 3.991 15.911 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.307 2.967 17.269 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.141 4.135 11.806 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.300 5.302 12.045 1.00 0.00 C ATOM 1013 C ASN A 141 -1.061 6.074 10.750 1.00 0.00 C ATOM 1014 O ASN A 141 -1.134 7.303 10.725 1.00 0.00 O ATOM 1015 CB ASN A 141 0.038 4.877 12.653 1.00 0.00 C ATOM 1016 CG ASN A 141 0.843 6.057 13.161 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.285 7.045 13.638 1.00 0.00 O ATOM 1018 ND2 ASN A 141 2.164 5.960 13.059 1.00 0.00 N ATOM 0 H ASN A 141 -1.716 3.247 12.073 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.819 5.955 12.747 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.143 4.184 13.474 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.620 4.339 11.904 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.758 6.723 13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.584 5.122 12.657 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.774 5.344 9.678 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.525 5.959 8.379 1.00 0.00 C ATOM 1027 C LEU A 142 -1.713 6.809 7.941 1.00 0.00 C ATOM 1028 O LEU A 142 -1.559 7.980 7.592 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.239 4.884 7.330 1.00 0.00 C ATOM 1030 CG LEU A 142 1.048 4.081 7.525 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.006 2.798 6.709 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.261 4.917 7.146 1.00 0.00 C ATOM 0 H LEU A 142 -0.708 4.326 9.683 1.00 0.00 H new ATOM 0 HA LEU A 142 0.346 6.607 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.078 4.189 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.201 5.361 6.351 1.00 0.00 H new ATOM 0 HG LEU A 142 1.131 3.814 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.930 2.240 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.159 2.191 7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.899 3.042 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.168 4.329 7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.185 5.215 6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.301 5.807 7.775 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.900 6.213 7.963 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.117 6.915 7.571 1.00 0.00 C ATOM 1046 C LEU A 143 -4.202 8.278 8.250 1.00 0.00 C ATOM 1047 O LEU A 143 -4.374 9.304 7.591 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.349 6.079 7.924 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.484 4.742 7.195 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.447 3.826 7.934 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.946 4.960 5.762 1.00 0.00 C ATOM 0 H LEU A 143 -3.046 5.245 8.248 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.087 7.068 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.337 5.886 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.239 6.674 7.717 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.505 4.263 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.530 2.879 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.074 3.643 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.428 4.298 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.037 3.998 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.914 5.461 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -5.219 5.578 5.235 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.078 8.283 9.573 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.137 9.520 10.343 1.00 0.00 C ATOM 1065 C LYS A 144 -3.164 10.554 9.787 1.00 0.00 C ATOM 1066 O LYS A 144 -3.490 11.736 9.688 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.819 9.244 11.815 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.709 8.184 12.441 1.00 0.00 C ATOM 1069 CD LYS A 144 -6.117 8.706 12.676 1.00 0.00 C ATOM 1070 CE LYS A 144 -7.107 7.568 12.874 1.00 0.00 C ATOM 1071 NZ LYS A 144 -8.367 8.035 13.515 1.00 0.00 N ATOM 0 H LYS A 144 -3.936 7.444 10.135 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.148 9.920 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.779 8.930 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.920 10.171 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.748 7.310 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.278 7.858 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -6.125 9.353 13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.427 9.316 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.336 7.114 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.651 6.793 13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.015 7.231 13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.152 8.445 14.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.815 8.756 12.915 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.968 10.100 9.424 1.00 0.00 N ATOM 1086 CA GLU A 145 -0.948 10.987 8.877 1.00 0.00 C ATOM 1087 C GLU A 145 -1.355 11.499 7.499 1.00 0.00 C ATOM 1088 O GLU A 145 -1.217 12.685 7.199 1.00 0.00 O ATOM 1089 CB GLU A 145 0.396 10.262 8.788 1.00 0.00 C ATOM 1090 CG GLU A 145 0.862 9.679 10.111 1.00 0.00 C ATOM 1091 CD GLU A 145 1.717 8.439 9.934 1.00 0.00 C ATOM 1092 OE1 GLU A 145 2.723 8.513 9.197 1.00 0.00 O ATOM 1093 OE2 GLU A 145 1.381 7.396 10.531 1.00 0.00 O ATOM 0 H GLU A 145 -1.682 9.124 9.499 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.848 11.841 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.318 9.460 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.151 10.958 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.430 10.433 10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -0.007 9.432 10.721 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.858 10.596 6.663 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.284 10.955 5.316 1.00 0.00 C ATOM 1102 C PHE A 146 -3.365 12.031 5.355 1.00 0.00 C ATOM 1103 O PHE A 146 -3.265 13.054 4.677 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.805 9.720 4.577 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.714 8.861 4.003 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.807 9.384 3.095 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.597 7.530 4.370 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.197 8.596 2.566 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.594 6.738 3.844 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.303 7.271 2.940 1.00 0.00 C ATOM 0 H PHE A 146 -1.980 9.610 6.895 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.420 11.352 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.405 9.122 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.466 10.040 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.886 10.419 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.297 7.107 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.898 9.016 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.512 5.703 4.140 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.086 6.653 2.526 1.00 0.00 H new