USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -3.62! C(o=-5.2!,f=-5.3!) USER MOD Set 1.2: A 41 MET CE :methyl -110:sc= -1.53 (180deg=-4.39!) USER MOD Single : A 12 MET CE :methyl 171:sc= -1.12 (180deg=-1.31) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.65 F(o=-6.7!,f=-1.7) USER MOD Single : A 16 MET CE :methyl -157:sc= -2.89! (180deg=-4.16!) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0121) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -3.17! C(o=-4.4!,f=-3.2!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.690 4.886 -5.423 1.00 0.00 N ATOM 148 CA MET A 12 -2.337 4.009 -4.454 1.00 0.00 C ATOM 149 C MET A 12 -3.031 4.821 -3.364 1.00 0.00 C ATOM 150 O MET A 12 -2.595 5.920 -3.024 1.00 0.00 O ATOM 151 CB MET A 12 -1.312 3.063 -3.826 1.00 0.00 C ATOM 152 CG MET A 12 -0.286 2.536 -4.816 1.00 0.00 C ATOM 153 SD MET A 12 0.439 0.969 -4.297 1.00 0.00 S ATOM 154 CE MET A 12 1.212 1.448 -2.755 1.00 0.00 C ATOM 0 HA MET A 12 -3.089 3.421 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.794 3.584 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.836 2.220 -3.375 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.759 2.408 -5.790 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.506 3.275 -4.940 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.565 0.558 -2.233 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.055 2.107 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.487 1.970 -2.131 1.00 0.00 H new ATOM 164 N ASN A 13 -4.112 4.272 -2.821 1.00 0.00 N ATOM 165 CA ASN A 13 -4.866 4.946 -1.770 1.00 0.00 C ATOM 166 C ASN A 13 -4.429 4.463 -0.391 1.00 0.00 C ATOM 167 O ASN A 13 -3.496 3.669 -0.267 1.00 0.00 O ATOM 168 CB ASN A 13 -6.366 4.706 -1.955 1.00 0.00 C ATOM 169 CG ASN A 13 -6.669 3.313 -2.471 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.906 2.382 -1.554 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 -6.689 3.076 -3.679 1.00 0.00 N flip ATOM 0 H ASN A 13 -4.486 3.362 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.664 6.015 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.875 4.857 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.766 5.443 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.501 3.822 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.894 2.133 -4.010 1.00 0.00 H new ATOM 178 N ALA A 14 -5.110 4.946 0.643 1.00 0.00 N ATOM 179 CA ALA A 14 -4.793 4.561 2.013 1.00 0.00 C ATOM 180 C ALA A 14 -4.972 3.061 2.217 1.00 0.00 C ATOM 181 O ALA A 14 -4.167 2.415 2.889 1.00 0.00 O ATOM 182 CB ALA A 14 -5.663 5.336 2.993 1.00 0.00 C ATOM 0 H ALA A 14 -5.884 5.604 0.558 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.747 4.804 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.416 5.039 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.483 6.404 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.713 5.120 2.797 1.00 0.00 H new ATOM 188 N PHE A 15 -6.031 2.510 1.632 1.00 0.00 N ATOM 189 CA PHE A 15 -6.315 1.085 1.751 1.00 0.00 C ATOM 190 C PHE A 15 -5.276 0.258 0.999 1.00 0.00 C ATOM 191 O PHE A 15 -4.695 -0.677 1.549 1.00 0.00 O ATOM 192 CB PHE A 15 -7.715 0.776 1.215 1.00 0.00 C ATOM 193 CG PHE A 15 -7.880 -0.644 0.754 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.464 -1.029 -0.510 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.451 -1.594 1.586 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.616 -2.335 -0.937 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.605 -2.901 1.165 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.186 -3.272 -0.098 1.00 0.00 C ATOM 0 H PHE A 15 -6.706 3.029 1.071 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.270 0.818 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.448 0.984 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.934 1.447 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.016 -0.301 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.779 -1.309 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.289 -2.622 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.052 -3.632 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.304 -4.293 -0.429 1.00 0.00 H new ATOM 208 N MET A 16 -5.048 0.611 -0.262 1.00 0.00 N ATOM 209 CA MET A 16 -4.079 -0.098 -1.090 1.00 0.00 C ATOM 210 C MET A 16 -2.678 0.007 -0.497 1.00 0.00 C ATOM 211 O MET A 16 -1.964 -0.989 -0.386 1.00 0.00 O ATOM 212 CB MET A 16 -4.086 0.462 -2.514 1.00 0.00 C ATOM 213 CG MET A 16 -5.286 0.019 -3.335 1.00 0.00 C ATOM 214 SD MET A 16 -4.882 -0.232 -5.075 1.00 0.00 S ATOM 215 CE MET A 16 -3.886 1.220 -5.404 1.00 0.00 C ATOM 0 H MET A 16 -5.521 1.383 -0.732 1.00 0.00 H new ATOM 0 HA MET A 16 -4.364 -1.150 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.070 1.551 -2.468 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.173 0.151 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.683 -0.908 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.074 0.768 -3.253 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.899 1.436 -6.472 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.291 2.071 -4.857 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.860 1.038 -5.083 1.00 0.00 H new ATOM 225 N VAL A 17 -2.290 1.221 -0.117 1.00 0.00 N ATOM 226 CA VAL A 17 -0.974 1.455 0.466 1.00 0.00 C ATOM 227 C VAL A 17 -0.720 0.521 1.643 1.00 0.00 C ATOM 228 O VAL A 17 0.239 -0.251 1.640 1.00 0.00 O ATOM 229 CB VAL A 17 -0.822 2.913 0.939 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.491 3.098 1.685 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.913 3.868 -0.241 1.00 0.00 C ATOM 0 H VAL A 17 -2.868 2.057 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.241 1.256 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.638 3.141 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.581 4.134 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.511 2.440 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.323 2.852 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.804 4.894 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.119 3.643 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.881 3.753 -0.728 1.00 0.00 H new ATOM 241 N TRP A 18 -1.585 0.595 2.648 1.00 0.00 N ATOM 242 CA TRP A 18 -1.454 -0.245 3.833 1.00 0.00 C ATOM 243 C TRP A 18 -1.507 -1.722 3.461 1.00 0.00 C ATOM 244 O TRP A 18 -0.953 -2.568 4.162 1.00 0.00 O ATOM 245 CB TRP A 18 -2.560 0.080 4.838 1.00 0.00 C ATOM 246 CG TRP A 18 -2.922 -1.077 5.719 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.444 -1.335 6.972 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.837 -2.135 5.411 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.006 -2.489 7.462 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.865 -2.998 6.524 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.636 -2.436 4.305 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.660 -4.141 6.560 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.425 -3.570 4.342 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.433 -4.411 5.463 1.00 0.00 C ATOM 0 H TRP A 18 -2.385 1.228 2.666 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.486 -0.039 4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.241 0.916 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.448 0.407 4.297 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.729 -0.722 7.500 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.815 -2.900 8.376 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.637 -1.794 3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.666 -4.791 7.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.046 -3.812 3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.061 -5.289 5.461 1.00 0.00 H new ATOM 265 N ALA A 19 -2.176 -2.026 2.353 1.00 0.00 N ATOM 266 CA ALA A 19 -2.298 -3.402 1.888 1.00 0.00 C ATOM 267 C ALA A 19 -0.994 -3.889 1.267 1.00 0.00 C ATOM 268 O ALA A 19 -0.577 -5.027 1.486 1.00 0.00 O ATOM 269 CB ALA A 19 -3.438 -3.521 0.886 1.00 0.00 C ATOM 0 H ALA A 19 -2.641 -1.338 1.761 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.518 -4.033 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.518 -4.554 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.372 -3.222 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.241 -2.873 0.032 1.00 0.00 H new ATOM 275 N LYS A 20 -0.352 -3.022 0.492 1.00 0.00 N ATOM 276 CA LYS A 20 0.906 -3.363 -0.161 1.00 0.00 C ATOM 277 C LYS A 20 1.738 -4.295 0.715 1.00 0.00 C ATOM 278 O LYS A 20 2.460 -5.156 0.211 1.00 0.00 O ATOM 279 CB LYS A 20 1.702 -2.094 -0.474 1.00 0.00 C ATOM 280 CG LYS A 20 2.613 -1.653 0.658 1.00 0.00 C ATOM 281 CD LYS A 20 2.897 -0.161 0.596 1.00 0.00 C ATOM 282 CE LYS A 20 3.932 0.165 -0.471 1.00 0.00 C ATOM 283 NZ LYS A 20 5.313 -0.170 -0.026 1.00 0.00 N ATOM 0 H LYS A 20 -0.683 -2.076 0.301 1.00 0.00 H new ATOM 0 HA LYS A 20 0.675 -3.879 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.303 -2.263 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.007 -1.287 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.151 -1.897 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.551 -2.205 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.973 0.378 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.253 0.184 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.700 -0.387 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.877 1.225 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.997 0.175 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.501 0.282 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.406 -1.201 0.071 1.00 0.00 H new ATOM 297 N ASP A 21 1.631 -4.118 2.027 1.00 0.00 N ATOM 298 CA ASP A 21 2.372 -4.945 2.973 1.00 0.00 C ATOM 299 C ASP A 21 1.550 -6.160 3.392 1.00 0.00 C ATOM 300 O ASP A 21 2.073 -7.269 3.496 1.00 0.00 O ATOM 301 CB ASP A 21 2.759 -4.126 4.205 1.00 0.00 C ATOM 302 CG ASP A 21 3.817 -4.811 5.047 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.870 -5.181 4.488 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.592 -4.977 6.264 1.00 0.00 O ATOM 0 H ASP A 21 1.039 -3.410 2.460 1.00 0.00 H new ATOM 0 HA ASP A 21 3.279 -5.295 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.127 -3.150 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.872 -3.950 4.814 1.00 0.00 H new ATOM 309 N GLU A 22 0.261 -5.942 3.632 1.00 0.00 N ATOM 310 CA GLU A 22 -0.632 -7.019 4.042 1.00 0.00 C ATOM 311 C GLU A 22 -0.810 -8.036 2.918 1.00 0.00 C ATOM 312 O GLU A 22 -0.545 -9.225 3.094 1.00 0.00 O ATOM 313 CB GLU A 22 -1.993 -6.455 4.454 1.00 0.00 C ATOM 314 CG GLU A 22 -1.932 -5.546 5.670 1.00 0.00 C ATOM 315 CD GLU A 22 -0.807 -5.913 6.618 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.853 -7.020 7.194 1.00 0.00 O ATOM 317 OE2 GLU A 22 0.121 -5.093 6.782 1.00 0.00 O ATOM 0 H GLU A 22 -0.188 -5.030 3.550 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.182 -7.523 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.415 -5.900 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.672 -7.282 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.803 -4.515 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.882 -5.595 6.203 1.00 0.00 H new ATOM 324 N ARG A 23 -1.261 -7.559 1.763 1.00 0.00 N ATOM 325 CA ARG A 23 -1.476 -8.425 0.610 1.00 0.00 C ATOM 326 C ARG A 23 -0.388 -9.491 0.520 1.00 0.00 C ATOM 327 O ARG A 23 -0.677 -10.687 0.480 1.00 0.00 O ATOM 328 CB ARG A 23 -1.504 -7.599 -0.677 1.00 0.00 C ATOM 329 CG ARG A 23 -1.904 -8.399 -1.906 1.00 0.00 C ATOM 330 CD ARG A 23 -1.510 -7.685 -3.189 1.00 0.00 C ATOM 331 NE ARG A 23 -0.118 -7.940 -3.551 1.00 0.00 N ATOM 332 CZ ARG A 23 0.892 -7.158 -3.184 1.00 0.00 C ATOM 333 NH1 ARG A 23 0.665 -6.079 -2.447 1.00 0.00 N ATOM 334 NH2 ARG A 23 2.131 -7.456 -3.553 1.00 0.00 N ATOM 0 H ARG A 23 -1.485 -6.577 1.600 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.438 -8.922 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.200 -6.770 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.518 -7.165 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.429 -9.379 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.981 -8.566 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.161 -8.011 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.663 -6.612 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 23 0.090 -8.763 -4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.286 -5.848 -2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.442 -5.480 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.309 -8.286 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.906 -6.855 -3.271 1.00 0.00 H new ATOM 348 N LYS A 24 0.865 -9.049 0.488 1.00 0.00 N ATOM 349 CA LYS A 24 1.997 -9.963 0.403 1.00 0.00 C ATOM 350 C LYS A 24 1.766 -11.197 1.269 1.00 0.00 C ATOM 351 O LYS A 24 2.009 -12.324 0.837 1.00 0.00 O ATOM 352 CB LYS A 24 3.283 -9.256 0.837 1.00 0.00 C ATOM 353 CG LYS A 24 3.705 -8.133 -0.095 1.00 0.00 C ATOM 354 CD LYS A 24 5.212 -7.943 -0.092 1.00 0.00 C ATOM 355 CE LYS A 24 5.884 -8.802 -1.151 1.00 0.00 C ATOM 356 NZ LYS A 24 7.160 -8.199 -1.628 1.00 0.00 N ATOM 0 H LYS A 24 1.122 -8.062 0.520 1.00 0.00 H new ATOM 0 HA LYS A 24 2.097 -10.282 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.145 -8.852 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.088 -9.989 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.367 -8.353 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.220 -7.205 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.448 -6.894 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.610 -8.197 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.081 -9.793 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.207 -8.934 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.587 -8.815 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.969 -7.264 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.816 -8.097 -0.828 1.00 0.00 H new ATOM 370 N ARG A 25 1.294 -10.977 2.492 1.00 0.00 N ATOM 371 CA ARG A 25 1.029 -12.071 3.417 1.00 0.00 C ATOM 372 C ARG A 25 -0.116 -12.945 2.914 1.00 0.00 C ATOM 373 O ARG A 25 -0.123 -14.159 3.122 1.00 0.00 O ATOM 374 CB ARG A 25 0.694 -11.524 4.806 1.00 0.00 C ATOM 375 CG ARG A 25 -0.793 -11.303 5.031 1.00 0.00 C ATOM 376 CD ARG A 25 -1.045 -10.182 6.027 1.00 0.00 C ATOM 377 NE ARG A 25 -2.331 -10.331 6.704 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.535 -11.164 7.719 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.543 -11.919 8.171 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.733 -11.243 8.283 1.00 0.00 N ATOM 0 H ARG A 25 1.087 -10.050 2.865 1.00 0.00 H new ATOM 0 HA ARG A 25 1.929 -12.683 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.068 -12.217 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.219 -10.580 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.274 -11.064 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.248 -12.224 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.245 -10.168 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.017 -9.223 5.509 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.115 -9.765 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.621 -11.861 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.702 -12.558 8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.498 -10.664 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.889 -11.883 9.062 1.00 0.00 H new ATOM 394 N LEU A 26 -1.082 -12.320 2.251 1.00 0.00 N ATOM 395 CA LEU A 26 -2.234 -13.040 1.717 1.00 0.00 C ATOM 396 C LEU A 26 -1.813 -13.985 0.597 1.00 0.00 C ATOM 397 O LEU A 26 -2.259 -15.130 0.537 1.00 0.00 O ATOM 398 CB LEU A 26 -3.282 -12.053 1.201 1.00 0.00 C ATOM 399 CG LEU A 26 -3.710 -10.956 2.177 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.904 -10.190 1.629 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.036 -11.552 3.539 1.00 0.00 C ATOM 0 H LEU A 26 -1.091 -11.316 2.070 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.668 -13.632 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.892 -11.578 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.168 -12.616 0.907 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.881 -10.259 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.194 -9.414 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.636 -9.731 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.738 -10.875 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.339 -10.757 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.849 -12.271 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.154 -12.055 3.936 1.00 0.00 H new ATOM 413 N ALA A 27 -0.950 -13.498 -0.289 1.00 0.00 N ATOM 414 CA ALA A 27 -0.466 -14.300 -1.405 1.00 0.00 C ATOM 415 C ALA A 27 0.198 -15.581 -0.913 1.00 0.00 C ATOM 416 O ALA A 27 -0.151 -16.678 -1.347 1.00 0.00 O ATOM 417 CB ALA A 27 0.504 -13.492 -2.254 1.00 0.00 C ATOM 0 H ALA A 27 -0.572 -12.551 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.323 -14.579 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.858 -14.104 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.002 -12.609 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.353 -13.184 -1.643 1.00 0.00 H new ATOM 423 N GLN A 28 1.158 -15.433 -0.005 1.00 0.00 N ATOM 424 CA GLN A 28 1.872 -16.580 0.544 1.00 0.00 C ATOM 425 C GLN A 28 0.920 -17.506 1.294 1.00 0.00 C ATOM 426 O GLN A 28 1.103 -18.723 1.303 1.00 0.00 O ATOM 427 CB GLN A 28 2.989 -16.111 1.479 1.00 0.00 C ATOM 428 CG GLN A 28 2.494 -15.261 2.639 1.00 0.00 C ATOM 429 CD GLN A 28 3.415 -15.323 3.842 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.542 -15.810 3.751 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.939 -14.829 4.978 1.00 0.00 N ATOM 0 H GLN A 28 1.459 -14.531 0.365 1.00 0.00 H new ATOM 0 HA GLN A 28 2.310 -17.135 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.510 -16.983 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.716 -15.538 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.399 -14.226 2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.498 -15.595 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.999 -14.435 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.513 -14.844 5.821 1.00 0.00 H new ATOM 440 N GLN A 29 -0.095 -16.921 1.921 1.00 0.00 N ATOM 441 CA GLN A 29 -1.075 -17.694 2.674 1.00 0.00 C ATOM 442 C GLN A 29 -2.036 -18.417 1.736 1.00 0.00 C ATOM 443 O GLN A 29 -2.506 -19.513 2.037 1.00 0.00 O ATOM 444 CB GLN A 29 -1.858 -16.782 3.621 1.00 0.00 C ATOM 445 CG GLN A 29 -1.228 -16.652 4.999 1.00 0.00 C ATOM 446 CD GLN A 29 -2.253 -16.402 6.087 1.00 0.00 C ATOM 447 OE1 GLN A 29 -3.003 -17.302 6.467 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.291 -15.176 6.596 1.00 0.00 N ATOM 0 H GLN A 29 -0.260 -15.914 1.922 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.538 -18.440 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.940 -15.792 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.872 -17.168 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.674 -17.562 5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.507 -15.834 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.651 -14.461 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.960 -14.950 7.332 1.00 0.00 H new ATOM 457 N ASN A 30 -2.323 -17.795 0.597 1.00 0.00 N ATOM 458 CA ASN A 30 -3.229 -18.379 -0.386 1.00 0.00 C ATOM 459 C ASN A 30 -2.622 -18.326 -1.784 1.00 0.00 C ATOM 460 O ASN A 30 -2.909 -17.431 -2.579 1.00 0.00 O ATOM 461 CB ASN A 30 -4.571 -17.645 -0.372 1.00 0.00 C ATOM 462 CG ASN A 30 -5.247 -17.701 0.985 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.610 -18.774 1.466 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.418 -16.541 1.608 1.00 0.00 N ATOM 0 H ASN A 30 -1.942 -16.887 0.332 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.391 -19.423 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.415 -16.604 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.230 -18.084 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.866 -16.515 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.101 -15.676 1.171 1.00 0.00 H new ATOM 471 N PRO A 31 -1.762 -19.308 -2.094 1.00 0.00 N ATOM 472 CA PRO A 31 -1.097 -19.396 -3.397 1.00 0.00 C ATOM 473 C PRO A 31 -2.065 -19.757 -4.518 1.00 0.00 C ATOM 474 O PRO A 31 -1.695 -19.764 -5.693 1.00 0.00 O ATOM 475 CB PRO A 31 -0.070 -20.513 -3.196 1.00 0.00 C ATOM 476 CG PRO A 31 -0.631 -21.351 -2.101 1.00 0.00 C ATOM 477 CD PRO A 31 -1.373 -20.407 -1.195 1.00 0.00 C ATOM 0 HA PRO A 31 -0.658 -18.444 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.067 -21.094 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.906 -20.110 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.298 -22.116 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.162 -21.868 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.243 -20.884 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.743 -20.055 -0.379 1.00 0.00 H new ATOM 485 N ASP A 32 -3.305 -20.057 -4.149 1.00 0.00 N ATOM 486 CA ASP A 32 -4.327 -20.418 -5.124 1.00 0.00 C ATOM 487 C ASP A 32 -5.345 -19.293 -5.287 1.00 0.00 C ATOM 488 O ASP A 32 -6.076 -19.241 -6.277 1.00 0.00 O ATOM 489 CB ASP A 32 -5.036 -21.705 -4.700 1.00 0.00 C ATOM 490 CG ASP A 32 -4.365 -22.946 -5.257 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.295 -23.325 -4.737 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.910 -23.536 -6.213 1.00 0.00 O ATOM 0 H ASP A 32 -3.627 -20.057 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.836 -20.582 -6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.056 -21.764 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.072 -21.673 -5.037 1.00 0.00 H new ATOM 497 N LEU A 33 -5.387 -18.394 -4.310 1.00 0.00 N ATOM 498 CA LEU A 33 -6.316 -17.270 -4.343 1.00 0.00 C ATOM 499 C LEU A 33 -5.728 -16.102 -5.129 1.00 0.00 C ATOM 500 O LEU A 33 -4.510 -15.986 -5.272 1.00 0.00 O ATOM 501 CB LEU A 33 -6.658 -16.822 -2.921 1.00 0.00 C ATOM 502 CG LEU A 33 -7.505 -17.793 -2.098 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.850 -17.186 -0.747 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.771 -18.170 -2.854 1.00 0.00 C ATOM 0 H LEU A 33 -4.788 -18.422 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.228 -17.599 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.727 -16.639 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.185 -15.870 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.923 -18.699 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.453 -17.891 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.932 -16.967 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.412 -16.264 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.361 -18.862 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.356 -17.272 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.503 -18.646 -3.797 1.00 0.00 H new ATOM 516 N HIS A 34 -6.601 -15.236 -5.634 1.00 0.00 N ATOM 517 CA HIS A 34 -6.168 -14.074 -6.403 1.00 0.00 C ATOM 518 C HIS A 34 -6.611 -12.780 -5.727 1.00 0.00 C ATOM 519 O HIS A 34 -7.361 -12.803 -4.752 1.00 0.00 O ATOM 520 CB HIS A 34 -6.729 -14.139 -7.824 1.00 0.00 C ATOM 521 CG HIS A 34 -8.210 -14.357 -7.874 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.946 -15.478 -7.697 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 -9.110 -13.346 -8.135 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 -10.265 -15.128 -7.851 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 -10.337 -13.836 -8.115 1.00 0.00 N flip ATOM 0 H HIS A 34 -7.612 -15.317 -5.525 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.079 -14.085 -6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.489 -13.211 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.233 -14.945 -8.365 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.588 -16.410 -7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.853 -12.315 -8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.107 -15.800 -7.769 1.00 0.00 H new ATOM 534 N ASN A 35 -6.141 -11.653 -6.252 1.00 0.00 N ATOM 535 CA ASN A 35 -6.488 -10.349 -5.698 1.00 0.00 C ATOM 536 C ASN A 35 -7.913 -10.350 -5.155 1.00 0.00 C ATOM 537 O ASN A 35 -8.127 -10.297 -3.944 1.00 0.00 O ATOM 538 CB ASN A 35 -6.337 -9.263 -6.765 1.00 0.00 C ATOM 539 CG ASN A 35 -6.038 -7.902 -6.166 1.00 0.00 C ATOM 540 OD1 ASN A 35 -6.945 -7.109 -5.915 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.760 -7.626 -5.934 1.00 0.00 N ATOM 0 H ASN A 35 -5.519 -11.616 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.805 -10.138 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.536 -9.539 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.253 -9.205 -7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.497 -6.726 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.041 -8.314 -6.158 1.00 0.00 H new ATOM 548 N ALA A 36 -8.885 -10.412 -6.059 1.00 0.00 N ATOM 549 CA ALA A 36 -10.290 -10.423 -5.671 1.00 0.00 C ATOM 550 C ALA A 36 -10.493 -11.183 -4.365 1.00 0.00 C ATOM 551 O ALA A 36 -11.275 -10.768 -3.511 1.00 0.00 O ATOM 552 CB ALA A 36 -11.138 -11.035 -6.777 1.00 0.00 C ATOM 0 H ALA A 36 -8.725 -10.455 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.606 -9.392 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.185 -11.037 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.025 -10.448 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.812 -12.059 -6.961 1.00 0.00 H new ATOM 558 N GLU A 37 -9.784 -12.297 -4.217 1.00 0.00 N ATOM 559 CA GLU A 37 -9.888 -13.115 -3.015 1.00 0.00 C ATOM 560 C GLU A 37 -9.119 -12.483 -1.858 1.00 0.00 C ATOM 561 O GLU A 37 -9.588 -12.468 -0.720 1.00 0.00 O ATOM 562 CB GLU A 37 -9.360 -14.526 -3.283 1.00 0.00 C ATOM 563 CG GLU A 37 -10.248 -15.343 -4.207 1.00 0.00 C ATOM 564 CD GLU A 37 -11.291 -16.146 -3.455 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.907 -15.590 -2.521 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.491 -17.330 -3.799 1.00 0.00 O ATOM 0 H GLU A 37 -9.131 -12.654 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.941 -13.176 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.364 -14.455 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.256 -15.052 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.746 -14.675 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.628 -16.020 -4.795 1.00 0.00 H new ATOM 573 N LEU A 38 -7.933 -11.964 -2.159 1.00 0.00 N ATOM 574 CA LEU A 38 -7.097 -11.330 -1.145 1.00 0.00 C ATOM 575 C LEU A 38 -7.797 -10.117 -0.542 1.00 0.00 C ATOM 576 O LEU A 38 -7.865 -9.970 0.679 1.00 0.00 O ATOM 577 CB LEU A 38 -5.756 -10.911 -1.751 1.00 0.00 C ATOM 578 CG LEU A 38 -5.077 -11.940 -2.656 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.702 -11.452 -3.081 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.973 -13.284 -1.949 1.00 0.00 C ATOM 0 H LEU A 38 -7.529 -11.970 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.919 -12.055 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.909 -9.997 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.073 -10.666 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.687 -12.068 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.234 -12.197 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.801 -10.513 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.083 -11.295 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.487 -14.005 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.385 -13.171 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.972 -13.640 -1.695 1.00 0.00 H new ATOM 592 N SER A 39 -8.318 -9.251 -1.405 1.00 0.00 N ATOM 593 CA SER A 39 -9.012 -8.049 -0.957 1.00 0.00 C ATOM 594 C SER A 39 -9.954 -8.365 0.201 1.00 0.00 C ATOM 595 O SER A 39 -9.869 -7.760 1.269 1.00 0.00 O ATOM 596 CB SER A 39 -9.797 -7.427 -2.113 1.00 0.00 C ATOM 597 OG SER A 39 -9.839 -6.015 -2.000 1.00 0.00 O ATOM 0 H SER A 39 -8.273 -9.359 -2.418 1.00 0.00 H new ATOM 0 HA SER A 39 -8.264 -7.336 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.336 -7.705 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.812 -7.824 -2.123 1.00 0.00 H new ATOM 0 HG SER A 39 -10.345 -5.642 -2.752 1.00 0.00 H new ATOM 603 N LYS A 40 -10.853 -9.319 -0.020 1.00 0.00 N ATOM 604 CA LYS A 40 -11.812 -9.718 1.003 1.00 0.00 C ATOM 605 C LYS A 40 -11.182 -9.661 2.391 1.00 0.00 C ATOM 606 O LYS A 40 -11.863 -9.397 3.382 1.00 0.00 O ATOM 607 CB LYS A 40 -12.327 -11.132 0.724 1.00 0.00 C ATOM 608 CG LYS A 40 -13.250 -11.216 -0.479 1.00 0.00 C ATOM 609 CD LYS A 40 -14.707 -11.065 -0.075 1.00 0.00 C ATOM 610 CE LYS A 40 -15.643 -11.526 -1.182 1.00 0.00 C ATOM 611 NZ LYS A 40 -17.060 -11.578 -0.725 1.00 0.00 N ATOM 0 H LYS A 40 -10.937 -9.830 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.649 -9.020 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.476 -11.795 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.856 -11.497 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.987 -10.437 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.108 -12.173 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.897 -11.644 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.913 -10.022 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.560 -10.849 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.337 -12.513 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.666 -11.897 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.144 -12.243 0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.361 -10.631 -0.418 1.00 0.00 H new ATOM 625 N MET A 41 -9.877 -9.907 2.455 1.00 0.00 N ATOM 626 CA MET A 41 -9.156 -9.880 3.722 1.00 0.00 C ATOM 627 C MET A 41 -8.534 -8.509 3.964 1.00 0.00 C ATOM 628 O MET A 41 -8.492 -8.026 5.097 1.00 0.00 O ATOM 629 CB MET A 41 -8.069 -10.956 3.738 1.00 0.00 C ATOM 630 CG MET A 41 -8.561 -12.324 3.293 1.00 0.00 C ATOM 631 SD MET A 41 -7.221 -13.512 3.089 1.00 0.00 S ATOM 632 CE MET A 41 -7.425 -13.962 1.368 1.00 0.00 C ATOM 0 H MET A 41 -9.298 -10.127 1.645 1.00 0.00 H new ATOM 0 HA MET A 41 -9.869 -10.082 4.521 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.251 -10.644 3.088 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.663 -11.035 4.746 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.272 -12.706 4.026 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.099 -12.223 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.788 -14.988 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.145 -13.291 0.899 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.467 -13.882 0.855 1.00 0.00 H new ATOM 642 N LEU A 42 -8.051 -7.886 2.895 1.00 0.00 N ATOM 643 CA LEU A 42 -7.430 -6.569 2.991 1.00 0.00 C ATOM 644 C LEU A 42 -8.455 -5.512 3.391 1.00 0.00 C ATOM 645 O LEU A 42 -8.103 -4.468 3.939 1.00 0.00 O ATOM 646 CB LEU A 42 -6.783 -6.190 1.658 1.00 0.00 C ATOM 647 CG LEU A 42 -5.678 -7.121 1.159 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.280 -6.763 -0.264 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.471 -7.060 2.084 1.00 0.00 C ATOM 0 H LEU A 42 -8.077 -8.272 1.951 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.660 -6.612 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.563 -6.145 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.370 -5.186 1.750 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.061 -8.141 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.492 -7.436 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.146 -6.860 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.916 -5.736 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.694 -7.729 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.087 -6.040 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.766 -7.367 3.087 1.00 0.00 H new ATOM 661 N GLY A 43 -9.725 -5.792 3.116 1.00 0.00 N ATOM 662 CA GLY A 43 -10.781 -4.857 3.456 1.00 0.00 C ATOM 663 C GLY A 43 -11.179 -4.937 4.916 1.00 0.00 C ATOM 664 O GLY A 43 -11.174 -3.931 5.626 1.00 0.00 O ATOM 0 H GLY A 43 -10.041 -6.650 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.452 -3.843 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.653 -5.057 2.834 1.00 0.00 H new ATOM 668 N LYS A 44 -11.527 -6.137 5.368 1.00 0.00 N ATOM 669 CA LYS A 44 -11.930 -6.347 6.753 1.00 0.00 C ATOM 670 C LYS A 44 -10.851 -5.859 7.714 1.00 0.00 C ATOM 671 O LYS A 44 -11.152 -5.323 8.780 1.00 0.00 O ATOM 672 CB LYS A 44 -12.219 -7.829 7.003 1.00 0.00 C ATOM 673 CG LYS A 44 -10.977 -8.703 6.979 1.00 0.00 C ATOM 674 CD LYS A 44 -11.288 -10.126 7.414 1.00 0.00 C ATOM 675 CE LYS A 44 -12.099 -10.866 6.361 1.00 0.00 C ATOM 676 NZ LYS A 44 -11.901 -12.339 6.443 1.00 0.00 N ATOM 0 H LYS A 44 -11.538 -6.980 4.794 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.838 -5.771 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.710 -7.937 7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.919 -8.186 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.557 -8.713 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.219 -8.278 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.358 -10.662 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.840 -10.108 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.156 -10.634 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.812 -10.516 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.470 -12.807 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.896 -12.563 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.198 -12.678 7.380 1.00 0.00 H new ATOM 690 N SER A 45 -9.593 -6.048 7.328 1.00 0.00 N ATOM 691 CA SER A 45 -8.468 -5.630 8.157 1.00 0.00 C ATOM 692 C SER A 45 -8.247 -4.124 8.051 1.00 0.00 C ATOM 693 O SER A 45 -7.769 -3.489 8.991 1.00 0.00 O ATOM 694 CB SER A 45 -7.197 -6.374 7.743 1.00 0.00 C ATOM 695 OG SER A 45 -7.181 -7.689 8.272 1.00 0.00 O ATOM 0 H SER A 45 -9.327 -6.488 6.447 1.00 0.00 H new ATOM 0 HA SER A 45 -8.701 -5.874 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.134 -6.415 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.321 -5.827 8.093 1.00 0.00 H new ATOM 0 HG SER A 45 -6.360 -8.144 7.992 1.00 0.00 H new ATOM 701 N TRP A 46 -8.597 -3.560 6.901 1.00 0.00 N ATOM 702 CA TRP A 46 -8.437 -2.129 6.671 1.00 0.00 C ATOM 703 C TRP A 46 -9.397 -1.327 7.543 1.00 0.00 C ATOM 704 O TRP A 46 -8.979 -0.643 8.478 1.00 0.00 O ATOM 705 CB TRP A 46 -8.670 -1.799 5.196 1.00 0.00 C ATOM 706 CG TRP A 46 -8.586 -0.333 4.895 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.573 0.455 4.375 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.452 0.518 5.093 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.121 1.745 4.238 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.823 1.810 4.672 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.160 0.315 5.586 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.948 2.892 4.730 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.293 1.389 5.642 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.689 2.664 5.217 1.00 0.00 C ATOM 0 H TRP A 46 -8.994 -4.072 6.113 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.417 -1.855 6.940 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.934 -2.329 4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.652 -2.168 4.899 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.563 0.114 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.664 2.528 3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.845 -0.664 5.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.252 3.875 4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.292 1.243 6.020 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.987 3.483 5.275 1.00 0.00 H new ATOM 725 N LYS A 47 -10.686 -1.415 7.231 1.00 0.00 N ATOM 726 CA LYS A 47 -11.706 -0.698 7.987 1.00 0.00 C ATOM 727 C LYS A 47 -11.490 -0.866 9.488 1.00 0.00 C ATOM 728 O LYS A 47 -11.768 0.043 10.269 1.00 0.00 O ATOM 729 CB LYS A 47 -13.100 -1.199 7.602 1.00 0.00 C ATOM 730 CG LYS A 47 -13.733 -0.420 6.463 1.00 0.00 C ATOM 731 CD LYS A 47 -14.738 -1.267 5.699 1.00 0.00 C ATOM 732 CE LYS A 47 -14.045 -2.273 4.793 1.00 0.00 C ATOM 733 NZ LYS A 47 -13.668 -1.672 3.483 1.00 0.00 N ATOM 0 H LYS A 47 -11.049 -1.976 6.460 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.627 0.361 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.034 -2.250 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.751 -1.144 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.229 0.466 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.956 -0.073 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.382 -1.793 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.381 -0.620 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.152 -2.653 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.704 -3.125 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.198 -2.389 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.523 -1.332 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.019 -0.875 3.641 1.00 0.00 H new ATOM 747 N ALA A 48 -10.993 -2.033 9.882 1.00 0.00 N ATOM 748 CA ALA A 48 -10.736 -2.318 11.289 1.00 0.00 C ATOM 749 C ALA A 48 -9.733 -1.330 11.875 1.00 0.00 C ATOM 750 O ALA A 48 -9.864 -0.905 13.023 1.00 0.00 O ATOM 751 CB ALA A 48 -10.234 -3.744 11.455 1.00 0.00 C ATOM 0 H ALA A 48 -10.760 -2.797 9.247 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.674 -2.209 11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.046 -3.943 12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.986 -4.440 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.310 -3.872 10.891 1.00 0.00 H new ATOM 757 N LEU A 49 -8.732 -0.969 11.080 1.00 0.00 N ATOM 758 CA LEU A 49 -7.706 -0.031 11.521 1.00 0.00 C ATOM 759 C LEU A 49 -8.330 1.282 11.982 1.00 0.00 C ATOM 760 O LEU A 49 -9.431 1.641 11.563 1.00 0.00 O ATOM 761 CB LEU A 49 -6.710 0.234 10.390 1.00 0.00 C ATOM 762 CG LEU A 49 -5.812 -0.940 9.997 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.053 -0.626 8.717 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.846 -1.273 11.125 1.00 0.00 C ATOM 0 H LEU A 49 -8.609 -1.311 10.127 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.179 -0.477 12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.268 0.550 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.074 1.070 10.681 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.442 -1.811 9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.419 -1.473 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.762 -0.438 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.433 0.258 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.215 -2.111 10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.221 -0.405 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.409 -1.542 12.019 1.00 0.00 H new ATOM 776 N THR A 50 -7.618 1.998 12.847 1.00 0.00 N ATOM 777 CA THR A 50 -8.101 3.272 13.365 1.00 0.00 C ATOM 778 C THR A 50 -7.410 4.443 12.675 1.00 0.00 C ATOM 779 O THR A 50 -6.342 4.286 12.083 1.00 0.00 O ATOM 780 CB THR A 50 -7.878 3.382 14.885 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.526 3.771 15.155 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.177 2.058 15.573 1.00 0.00 C ATOM 0 H THR A 50 -6.705 1.717 13.204 1.00 0.00 H new ATOM 0 HA THR A 50 -9.171 3.312 13.159 1.00 0.00 H new ATOM 0 HB THR A 50 -8.558 4.138 15.276 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.393 3.840 16.123 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.012 2.160 16.646 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.215 1.779 15.390 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.518 1.285 15.177 1.00 0.00 H new ATOM 790 N LEU A 51 -8.026 5.618 12.757 1.00 0.00 N ATOM 791 CA LEU A 51 -7.469 6.817 12.141 1.00 0.00 C ATOM 792 C LEU A 51 -5.958 6.880 12.339 1.00 0.00 C ATOM 793 O LEU A 51 -5.197 6.928 11.373 1.00 0.00 O ATOM 794 CB LEU A 51 -8.124 8.068 12.729 1.00 0.00 C ATOM 795 CG LEU A 51 -7.674 9.404 12.137 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.411 9.895 12.826 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.449 9.273 10.637 1.00 0.00 C ATOM 0 H LEU A 51 -8.910 5.765 13.244 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.675 6.775 11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.203 7.982 12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.930 8.085 13.801 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.463 10.138 12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.106 10.847 12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.605 10.028 13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.615 9.163 12.691 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.129 10.233 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.679 8.525 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.378 8.967 10.155 1.00 0.00 H new ATOM 809 N ALA A 52 -5.531 6.878 13.598 1.00 0.00 N ATOM 810 CA ALA A 52 -4.111 6.930 13.922 1.00 0.00 C ATOM 811 C ALA A 52 -3.328 5.886 13.133 1.00 0.00 C ATOM 812 O ALA A 52 -2.161 6.092 12.802 1.00 0.00 O ATOM 813 CB ALA A 52 -3.904 6.730 15.416 1.00 0.00 C ATOM 0 H ALA A 52 -6.148 6.841 14.409 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.736 7.914 13.642 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.839 6.771 15.644 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.423 7.516 15.964 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.301 5.759 15.712 1.00 0.00 H new ATOM 819 N GLU A 53 -3.979 4.766 12.836 1.00 0.00 N ATOM 820 CA GLU A 53 -3.341 3.689 12.086 1.00 0.00 C ATOM 821 C GLU A 53 -3.302 4.013 10.596 1.00 0.00 C ATOM 822 O GLU A 53 -2.372 3.625 9.888 1.00 0.00 O ATOM 823 CB GLU A 53 -4.083 2.371 12.314 1.00 0.00 C ATOM 824 CG GLU A 53 -4.121 1.937 13.769 1.00 0.00 C ATOM 825 CD GLU A 53 -4.326 0.443 13.927 1.00 0.00 C ATOM 826 OE1 GLU A 53 -3.347 -0.313 13.752 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.466 0.029 14.227 1.00 0.00 O ATOM 0 H GLU A 53 -4.946 4.580 13.102 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.317 3.588 12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.104 2.471 11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.607 1.589 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.189 2.225 14.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.924 2.466 14.281 1.00 0.00 H new ATOM 834 N LYS A 54 -4.319 4.727 10.125 1.00 0.00 N ATOM 835 CA LYS A 54 -4.403 5.105 8.719 1.00 0.00 C ATOM 836 C LYS A 54 -3.657 6.411 8.461 1.00 0.00 C ATOM 837 O LYS A 54 -3.467 6.812 7.313 1.00 0.00 O ATOM 838 CB LYS A 54 -5.866 5.249 8.294 1.00 0.00 C ATOM 839 CG LYS A 54 -6.723 4.046 8.650 1.00 0.00 C ATOM 840 CD LYS A 54 -8.193 4.306 8.367 1.00 0.00 C ATOM 841 CE LYS A 54 -8.569 3.900 6.951 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.019 4.105 6.681 1.00 0.00 N ATOM 0 H LYS A 54 -5.097 5.056 10.697 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.936 4.317 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.287 6.137 8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.909 5.409 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.389 3.179 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.592 3.804 9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.805 3.753 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.411 5.364 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.982 4.480 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.315 2.852 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.235 3.816 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.580 3.532 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.257 5.110 6.805 1.00 0.00 H new ATOM 856 N ARG A 55 -3.237 7.069 9.536 1.00 0.00 N ATOM 857 CA ARG A 55 -2.512 8.329 9.426 1.00 0.00 C ATOM 858 C ARG A 55 -1.277 8.171 8.543 1.00 0.00 C ATOM 859 O ARG A 55 -1.043 8.946 7.616 1.00 0.00 O ATOM 860 CB ARG A 55 -2.100 8.829 10.812 1.00 0.00 C ATOM 861 CG ARG A 55 -2.088 10.344 10.935 1.00 0.00 C ATOM 862 CD ARG A 55 -3.486 10.895 11.166 1.00 0.00 C ATOM 863 NE ARG A 55 -3.599 12.291 10.753 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.759 12.911 10.567 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.899 12.262 10.758 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.780 14.183 10.191 1.00 0.00 N ATOM 0 H ARG A 55 -3.386 6.751 10.493 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.176 9.061 8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.784 8.418 11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.107 8.446 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.439 10.638 11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.669 10.780 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.208 10.294 10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.740 10.808 12.222 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.740 12.819 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.887 11.284 11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.788 12.740 10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.905 14.686 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.671 14.658 10.048 1.00 0.00 H new ATOM 880 N PRO A 56 -0.467 7.143 8.837 1.00 0.00 N ATOM 881 CA PRO A 56 0.757 6.858 8.082 1.00 0.00 C ATOM 882 C PRO A 56 0.465 6.353 6.674 1.00 0.00 C ATOM 883 O PRO A 56 1.236 6.594 5.745 1.00 0.00 O ATOM 884 CB PRO A 56 1.439 5.767 8.911 1.00 0.00 C ATOM 885 CG PRO A 56 0.329 5.103 9.651 1.00 0.00 C ATOM 886 CD PRO A 56 -0.685 6.178 9.929 1.00 0.00 C ATOM 0 HA PRO A 56 1.367 7.750 7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.969 5.059 8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.173 6.191 9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.108 4.298 9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.690 4.658 10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.701 5.784 9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.529 6.635 10.906 1.00 0.00 H new ATOM 894 N PHE A 57 -0.654 5.652 6.521 1.00 0.00 N ATOM 895 CA PHE A 57 -1.047 5.112 5.225 1.00 0.00 C ATOM 896 C PHE A 57 -1.937 6.097 4.473 1.00 0.00 C ATOM 897 O PHE A 57 -2.198 5.931 3.282 1.00 0.00 O ATOM 898 CB PHE A 57 -1.780 3.781 5.405 1.00 0.00 C ATOM 899 CG PHE A 57 -1.054 2.811 6.293 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.159 2.267 5.901 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.584 2.444 7.519 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.830 1.375 6.716 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.917 1.553 8.338 1.00 0.00 C ATOM 904 CZ PHE A 57 0.291 1.017 7.936 1.00 0.00 C ATOM 0 H PHE A 57 -1.304 5.445 7.279 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.143 4.945 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.768 3.973 5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.931 3.323 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.585 2.543 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.529 2.859 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.775 0.958 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.340 1.276 9.292 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.813 0.319 8.574 1.00 0.00 H new ATOM 914 N VAL A 58 -2.399 7.125 5.178 1.00 0.00 N ATOM 915 CA VAL A 58 -3.258 8.139 4.578 1.00 0.00 C ATOM 916 C VAL A 58 -2.439 9.306 4.040 1.00 0.00 C ATOM 917 O VAL A 58 -2.747 9.858 2.984 1.00 0.00 O ATOM 918 CB VAL A 58 -4.288 8.673 5.591 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.852 10.007 5.127 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.401 7.659 5.804 1.00 0.00 C ATOM 0 H VAL A 58 -2.193 7.277 6.165 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.785 7.659 3.754 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.785 8.831 6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.578 10.368 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.043 10.731 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.340 9.879 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.120 8.053 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.904 7.466 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.978 6.730 6.186 1.00 0.00 H new ATOM 930 N GLU A 59 -1.393 9.675 4.773 1.00 0.00 N ATOM 931 CA GLU A 59 -0.529 10.778 4.368 1.00 0.00 C ATOM 932 C GLU A 59 0.366 10.368 3.201 1.00 0.00 C ATOM 933 O GLU A 59 0.944 11.216 2.522 1.00 0.00 O ATOM 934 CB GLU A 59 0.331 11.240 5.546 1.00 0.00 C ATOM 935 CG GLU A 59 -0.476 11.634 6.772 1.00 0.00 C ATOM 936 CD GLU A 59 -0.877 13.096 6.761 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.541 13.522 5.793 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.526 13.815 7.720 1.00 0.00 O ATOM 0 H GLU A 59 -1.124 9.227 5.649 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.164 11.603 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.021 10.440 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.936 12.090 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.372 11.016 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.109 11.428 7.669 1.00 0.00 H new ATOM 945 N GLU A 60 0.474 9.063 2.976 1.00 0.00 N ATOM 946 CA GLU A 60 1.299 8.541 1.893 1.00 0.00 C ATOM 947 C GLU A 60 0.524 8.523 0.579 1.00 0.00 C ATOM 948 O GLU A 60 0.928 9.149 -0.401 1.00 0.00 O ATOM 949 CB GLU A 60 1.787 7.130 2.228 1.00 0.00 C ATOM 950 CG GLU A 60 2.300 6.361 1.022 1.00 0.00 C ATOM 951 CD GLU A 60 3.322 5.304 1.396 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.113 4.609 2.412 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.331 5.173 0.672 1.00 0.00 O ATOM 0 H GLU A 60 0.001 8.348 3.529 1.00 0.00 H new ATOM 0 HA GLU A 60 2.161 9.199 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.582 7.196 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.970 6.571 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.460 5.886 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.747 7.059 0.314 1.00 0.00 H new ATOM 960 N ALA A 61 -0.593 7.802 0.566 1.00 0.00 N ATOM 961 CA ALA A 61 -1.426 7.704 -0.626 1.00 0.00 C ATOM 962 C ALA A 61 -1.715 9.083 -1.208 1.00 0.00 C ATOM 963 O ALA A 61 -1.780 9.252 -2.425 1.00 0.00 O ATOM 964 CB ALA A 61 -2.725 6.982 -0.304 1.00 0.00 C ATOM 0 H ALA A 61 -0.942 7.277 1.368 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.880 7.130 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.337 6.916 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.503 5.978 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.267 7.533 0.464 1.00 0.00 H new ATOM 970 N GLU A 62 -1.890 10.067 -0.331 1.00 0.00 N ATOM 971 CA GLU A 62 -2.174 11.431 -0.760 1.00 0.00 C ATOM 972 C GLU A 62 -1.027 11.989 -1.597 1.00 0.00 C ATOM 973 O GLU A 62 -1.246 12.581 -2.653 1.00 0.00 O ATOM 974 CB GLU A 62 -2.419 12.330 0.454 1.00 0.00 C ATOM 975 CG GLU A 62 -2.498 13.808 0.110 1.00 0.00 C ATOM 976 CD GLU A 62 -3.397 14.580 1.057 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.610 14.677 0.778 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.886 15.087 2.078 1.00 0.00 O ATOM 0 H GLU A 62 -1.840 9.945 0.680 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.073 11.411 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.348 12.028 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.618 12.176 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.496 14.237 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.868 13.921 -0.909 1.00 0.00 H new ATOM 985 N ARG A 63 0.197 11.795 -1.116 1.00 0.00 N ATOM 986 CA ARG A 63 1.379 12.279 -1.818 1.00 0.00 C ATOM 987 C ARG A 63 1.524 11.597 -3.175 1.00 0.00 C ATOM 988 O ARG A 63 2.160 12.130 -4.086 1.00 0.00 O ATOM 989 CB ARG A 63 2.634 12.036 -0.977 1.00 0.00 C ATOM 990 CG ARG A 63 2.630 12.775 0.351 1.00 0.00 C ATOM 991 CD ARG A 63 3.712 12.252 1.283 1.00 0.00 C ATOM 992 NE ARG A 63 4.063 13.225 2.314 1.00 0.00 N ATOM 993 CZ ARG A 63 4.937 12.984 3.285 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.546 11.808 3.356 1.00 0.00 N ATOM 995 NH2 ARG A 63 5.203 13.920 4.187 1.00 0.00 N ATOM 0 H ARG A 63 0.395 11.306 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 63 1.260 13.350 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.733 10.967 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.510 12.341 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.782 13.840 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.655 12.666 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.370 11.331 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.600 12.002 0.703 1.00 0.00 H new ATOM 0 HE ARG A 63 3.612 14.140 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.344 11.086 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.217 11.625 4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.736 14.825 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.874 13.734 4.932 1.00 0.00 H new