USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 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= -2.78! C(o=-5.8!,f=-6!) USER MOD Set 1.2: A 41 MET CE :methyl -101:sc= -3.02! (180deg=-5.74!) USER MOD Single : A 12 MET CE :methyl 174:sc= -1.45 (180deg=-1.53) USER MOD Single : A 13 ASN : amide:sc= -4.51! C(o=-4.5!,f=-6.3!) USER MOD Single : A 16 MET CE :methyl 145:sc= -0.433 (180deg=-1.65!) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0097) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.255 K(o=-0.26,f=-0.86) USER MOD Single : A 29 GLN : amide:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-4.3!) USER MOD Single : A 35 ASN : amide:sc= 0.3 K(o=0.3,f=-1.7!) 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= -0.693 USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.263 (180deg=0.0156) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.839 4.830 -5.479 1.00 0.00 N ATOM 148 CA MET A 12 -2.482 4.008 -4.460 1.00 0.00 C ATOM 149 C MET A 12 -3.062 4.876 -3.348 1.00 0.00 C ATOM 150 O MET A 12 -2.522 5.934 -3.028 1.00 0.00 O ATOM 151 CB MET A 12 -1.482 3.010 -3.874 1.00 0.00 C ATOM 152 CG MET A 12 -0.394 2.594 -4.852 1.00 0.00 C ATOM 153 SD MET A 12 0.396 1.040 -4.392 1.00 0.00 S ATOM 154 CE MET A 12 1.081 1.468 -2.794 1.00 0.00 C ATOM 0 HA MET A 12 -3.297 3.460 -4.932 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.017 3.450 -2.992 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.020 2.122 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.824 2.497 -5.849 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.361 3.379 -4.906 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.510 0.579 -2.332 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.858 2.222 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.292 1.864 -2.154 1.00 0.00 H new ATOM 164 N ASN A 13 -4.166 4.421 -2.764 1.00 0.00 N ATOM 165 CA ASN A 13 -4.820 5.157 -1.688 1.00 0.00 C ATOM 166 C ASN A 13 -4.379 4.635 -0.325 1.00 0.00 C ATOM 167 O ASN A 13 -3.508 3.770 -0.232 1.00 0.00 O ATOM 168 CB ASN A 13 -6.341 5.050 -1.820 1.00 0.00 C ATOM 169 CG ASN A 13 -6.774 3.753 -2.475 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.551 3.541 -3.667 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.398 2.877 -1.696 1.00 0.00 N ATOM 0 H ASN A 13 -4.626 3.547 -3.018 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.527 6.204 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.795 5.124 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.712 5.891 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.714 1.987 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.562 3.095 -0.713 1.00 0.00 H new ATOM 178 N ALA A 14 -4.986 5.165 0.732 1.00 0.00 N ATOM 179 CA ALA A 14 -4.658 4.751 2.090 1.00 0.00 C ATOM 180 C ALA A 14 -4.839 3.247 2.263 1.00 0.00 C ATOM 181 O ALA A 14 -4.056 2.593 2.954 1.00 0.00 O ATOM 182 CB ALA A 14 -5.516 5.507 3.094 1.00 0.00 C ATOM 0 H ALA A 14 -5.708 5.883 0.673 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.610 4.988 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.260 5.188 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.334 6.577 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.569 5.298 2.903 1.00 0.00 H new ATOM 188 N PHE A 15 -5.875 2.703 1.634 1.00 0.00 N ATOM 189 CA PHE A 15 -6.159 1.275 1.720 1.00 0.00 C ATOM 190 C PHE A 15 -5.152 0.470 0.904 1.00 0.00 C ATOM 191 O PHE A 15 -4.585 -0.509 1.389 1.00 0.00 O ATOM 192 CB PHE A 15 -7.579 0.986 1.229 1.00 0.00 C ATOM 193 CG PHE A 15 -7.796 -0.447 0.833 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.533 -0.869 -0.460 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.262 -1.371 1.754 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.733 -2.187 -0.827 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.463 -2.690 1.393 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.197 -3.098 0.101 1.00 0.00 C ATOM 0 H PHE A 15 -6.532 3.230 1.059 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.075 0.975 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.287 1.249 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.797 1.628 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.168 -0.161 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.471 -1.057 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.526 -2.504 -1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.828 -3.400 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.352 -4.128 -0.183 1.00 0.00 H new ATOM 208 N MET A 16 -4.936 0.889 -0.338 1.00 0.00 N ATOM 209 CA MET A 16 -3.998 0.208 -1.222 1.00 0.00 C ATOM 210 C MET A 16 -2.602 0.170 -0.608 1.00 0.00 C ATOM 211 O MET A 16 -1.966 -0.883 -0.552 1.00 0.00 O ATOM 212 CB MET A 16 -3.949 0.904 -2.584 1.00 0.00 C ATOM 213 CG MET A 16 -5.264 0.845 -3.344 1.00 0.00 C ATOM 214 SD MET A 16 -5.069 1.207 -5.099 1.00 0.00 S ATOM 215 CE MET A 16 -3.844 -0.015 -5.563 1.00 0.00 C ATOM 0 H MET A 16 -5.398 1.697 -0.755 1.00 0.00 H new ATOM 0 HA MET A 16 -4.345 -0.816 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.669 1.947 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.168 0.445 -3.190 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.702 -0.146 -3.228 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.964 1.556 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.043 -0.363 -6.576 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.851 0.432 -5.521 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.892 -0.858 -4.874 1.00 0.00 H new ATOM 225 N VAL A 17 -2.131 1.324 -0.147 1.00 0.00 N ATOM 226 CA VAL A 17 -0.811 1.422 0.464 1.00 0.00 C ATOM 227 C VAL A 17 -0.667 0.439 1.620 1.00 0.00 C ATOM 228 O VAL A 17 0.119 -0.506 1.551 1.00 0.00 O ATOM 229 CB VAL A 17 -0.535 2.848 0.978 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.827 2.918 1.652 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.628 3.852 -0.161 1.00 0.00 C ATOM 0 H VAL A 17 -2.644 2.205 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.084 1.176 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.294 3.102 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.005 3.933 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.852 2.227 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.602 2.644 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.430 4.854 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.107 3.603 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.628 3.819 -0.594 1.00 0.00 H new ATOM 241 N TRP A 18 -1.430 0.669 2.683 1.00 0.00 N ATOM 242 CA TRP A 18 -1.388 -0.197 3.855 1.00 0.00 C ATOM 243 C TRP A 18 -1.465 -1.665 3.451 1.00 0.00 C ATOM 244 O TRP A 18 -0.841 -2.524 4.074 1.00 0.00 O ATOM 245 CB TRP A 18 -2.535 0.143 4.808 1.00 0.00 C ATOM 246 CG TRP A 18 -2.923 -0.996 5.701 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.473 -1.234 6.968 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.840 -2.052 5.394 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.054 -2.375 7.467 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.897 -2.895 6.521 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.619 -2.366 4.277 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.702 -4.030 6.560 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.417 -3.494 4.317 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.454 -4.314 5.453 1.00 0.00 C ATOM 0 H TRP A 18 -2.085 1.448 2.757 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.439 -0.029 4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.246 0.995 5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.403 0.450 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.765 -0.616 7.500 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.885 -2.771 8.392 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.598 -1.739 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.732 -4.664 7.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.022 -3.748 3.459 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.089 -5.188 5.455 1.00 0.00 H new ATOM 265 N ALA A 19 -2.234 -1.947 2.404 1.00 0.00 N ATOM 266 CA ALA A 19 -2.391 -3.311 1.916 1.00 0.00 C ATOM 267 C ALA A 19 -1.111 -3.807 1.253 1.00 0.00 C ATOM 268 O ALA A 19 -0.727 -4.966 1.409 1.00 0.00 O ATOM 269 CB ALA A 19 -3.558 -3.393 0.943 1.00 0.00 C ATOM 0 H ALA A 19 -2.758 -1.248 1.878 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.600 -3.955 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.663 -4.418 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.475 -3.088 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.373 -2.732 0.096 1.00 0.00 H new ATOM 275 N LYS A 20 -0.453 -2.922 0.511 1.00 0.00 N ATOM 276 CA LYS A 20 0.785 -3.269 -0.177 1.00 0.00 C ATOM 277 C LYS A 20 1.620 -4.233 0.660 1.00 0.00 C ATOM 278 O LYS A 20 2.287 -5.118 0.123 1.00 0.00 O ATOM 279 CB LYS A 20 1.595 -2.007 -0.480 1.00 0.00 C ATOM 280 CG LYS A 20 2.517 -1.589 0.652 1.00 0.00 C ATOM 281 CD LYS A 20 2.762 -0.090 0.648 1.00 0.00 C ATOM 282 CE LYS A 20 3.858 0.294 -0.334 1.00 0.00 C ATOM 283 NZ LYS A 20 5.214 -0.002 0.206 1.00 0.00 N ATOM 0 H LYS A 20 -0.757 -1.958 0.371 1.00 0.00 H new ATOM 0 HA LYS A 20 0.525 -3.760 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.189 -2.174 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.909 -1.189 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.080 -1.884 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.468 -2.114 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.840 0.430 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.039 0.237 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.713 -0.247 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.783 1.357 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.935 0.320 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.343 0.493 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.312 -1.027 0.355 1.00 0.00 H new ATOM 297 N ASP A 21 1.578 -4.056 1.976 1.00 0.00 N ATOM 298 CA ASP A 21 2.329 -4.912 2.887 1.00 0.00 C ATOM 299 C ASP A 21 1.507 -6.133 3.288 1.00 0.00 C ATOM 300 O ASP A 21 2.016 -7.252 3.321 1.00 0.00 O ATOM 301 CB ASP A 21 2.742 -4.128 4.133 1.00 0.00 C ATOM 302 CG ASP A 21 3.814 -4.839 4.936 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.581 -5.622 4.337 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.885 -4.614 6.162 1.00 0.00 O ATOM 0 H ASP A 21 1.032 -3.327 2.436 1.00 0.00 H new ATOM 0 HA ASP A 21 3.225 -5.254 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.107 -3.145 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.868 -3.966 4.763 1.00 0.00 H new ATOM 309 N GLU A 22 0.232 -5.907 3.593 1.00 0.00 N ATOM 310 CA GLU A 22 -0.659 -6.989 3.994 1.00 0.00 C ATOM 311 C GLU A 22 -0.820 -8.007 2.869 1.00 0.00 C ATOM 312 O GLU A 22 -0.536 -9.192 3.044 1.00 0.00 O ATOM 313 CB GLU A 22 -2.028 -6.431 4.391 1.00 0.00 C ATOM 314 CG GLU A 22 -1.965 -5.406 5.511 1.00 0.00 C ATOM 315 CD GLU A 22 -0.817 -5.658 6.469 1.00 0.00 C ATOM 316 OE1 GLU A 22 0.338 -5.350 6.104 1.00 0.00 O ATOM 317 OE2 GLU A 22 -1.071 -6.162 7.583 1.00 0.00 O ATOM 0 H GLU A 22 -0.206 -4.986 3.570 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.215 -7.491 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.492 -5.974 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.671 -7.255 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.862 -4.410 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.904 -5.419 6.064 1.00 0.00 H new ATOM 324 N ARG A 23 -1.278 -7.536 1.713 1.00 0.00 N ATOM 325 CA ARG A 23 -1.478 -8.404 0.560 1.00 0.00 C ATOM 326 C ARG A 23 -0.370 -9.449 0.466 1.00 0.00 C ATOM 327 O ARG A 23 -0.634 -10.634 0.261 1.00 0.00 O ATOM 328 CB ARG A 23 -1.524 -7.577 -0.726 1.00 0.00 C ATOM 329 CG ARG A 23 -2.149 -8.312 -1.901 1.00 0.00 C ATOM 330 CD ARG A 23 -1.962 -7.544 -3.201 1.00 0.00 C ATOM 331 NE ARG A 23 -2.423 -8.307 -4.358 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.711 -9.271 -4.933 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.514 -9.587 -4.461 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.198 -9.920 -5.983 1.00 0.00 N ATOM 0 H ARG A 23 -1.517 -6.558 1.551 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.430 -8.920 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.087 -6.662 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.510 -7.279 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.700 -9.301 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.213 -8.461 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.507 -6.602 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.908 -7.295 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.341 -8.088 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.136 -9.090 -3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.030 -10.327 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.119 -9.679 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.651 -10.660 -6.424 1.00 0.00 H new ATOM 348 N LYS A 24 0.872 -9.002 0.618 1.00 0.00 N ATOM 349 CA LYS A 24 2.021 -9.896 0.552 1.00 0.00 C ATOM 350 C LYS A 24 1.769 -11.167 1.357 1.00 0.00 C ATOM 351 O LYS A 24 2.002 -12.275 0.875 1.00 0.00 O ATOM 352 CB LYS A 24 3.275 -9.189 1.073 1.00 0.00 C ATOM 353 CG LYS A 24 3.712 -8.015 0.215 1.00 0.00 C ATOM 354 CD LYS A 24 5.215 -7.804 0.283 1.00 0.00 C ATOM 355 CE LYS A 24 5.958 -8.801 -0.594 1.00 0.00 C ATOM 356 NZ LYS A 24 7.432 -8.713 -0.407 1.00 0.00 N ATOM 0 H LYS A 24 1.108 -8.024 0.788 1.00 0.00 H new ATOM 0 HA LYS A 24 2.175 -10.172 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.088 -8.837 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.091 -9.910 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.414 -8.188 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.201 -7.111 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.456 -6.789 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.551 -7.904 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.622 -9.811 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.713 -8.618 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.902 -9.408 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.757 -7.756 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.669 -8.913 0.586 1.00 0.00 H new ATOM 370 N ARG A 25 1.291 -10.998 2.586 1.00 0.00 N ATOM 371 CA ARG A 25 1.006 -12.131 3.457 1.00 0.00 C ATOM 372 C ARG A 25 -0.152 -12.960 2.911 1.00 0.00 C ATOM 373 O ARG A 25 -0.229 -14.168 3.142 1.00 0.00 O ATOM 374 CB ARG A 25 0.678 -11.646 4.870 1.00 0.00 C ATOM 375 CG ARG A 25 -0.800 -11.367 5.091 1.00 0.00 C ATOM 376 CD ARG A 25 -1.012 -10.276 6.129 1.00 0.00 C ATOM 377 NE ARG A 25 -0.838 -10.774 7.490 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.728 -9.985 8.553 1.00 0.00 C ATOM 379 NH1 ARG A 25 -0.774 -8.667 8.412 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.572 -10.513 9.760 1.00 0.00 N ATOM 0 H ARG A 25 1.093 -10.087 3.000 1.00 0.00 H new ATOM 0 HA ARG A 25 1.895 -12.761 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.009 -12.396 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.245 -10.738 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.260 -11.069 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.299 -12.280 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.310 -9.462 5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.014 -9.862 6.020 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.799 -11.783 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.894 -8.257 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.689 -8.063 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.536 -11.526 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.488 -9.906 10.575 1.00 0.00 H new ATOM 394 N LEU A 26 -1.053 -12.304 2.187 1.00 0.00 N ATOM 395 CA LEU A 26 -2.208 -12.980 1.608 1.00 0.00 C ATOM 396 C LEU A 26 -1.784 -13.912 0.477 1.00 0.00 C ATOM 397 O LEU A 26 -2.258 -15.043 0.381 1.00 0.00 O ATOM 398 CB LEU A 26 -3.216 -11.954 1.088 1.00 0.00 C ATOM 399 CG LEU A 26 -3.696 -10.912 2.099 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.860 -10.115 1.532 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.092 -11.581 3.407 1.00 0.00 C ATOM 0 H LEU A 26 -1.005 -11.305 1.987 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.677 -13.578 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.769 -11.431 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.086 -12.490 0.708 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.875 -10.224 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.188 -9.378 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.543 -9.605 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.685 -10.789 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.431 -10.824 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.897 -12.292 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.232 -12.106 3.822 1.00 0.00 H new ATOM 413 N ALA A 27 -0.887 -13.428 -0.375 1.00 0.00 N ATOM 414 CA ALA A 27 -0.395 -14.219 -1.497 1.00 0.00 C ATOM 415 C ALA A 27 0.236 -15.521 -1.016 1.00 0.00 C ATOM 416 O ALA A 27 -0.094 -16.600 -1.509 1.00 0.00 O ATOM 417 CB ALA A 27 0.607 -13.414 -2.311 1.00 0.00 C ATOM 0 H ALA A 27 -0.486 -12.492 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.244 -14.470 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.966 -14.017 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.125 -12.514 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.449 -13.133 -1.678 1.00 0.00 H new ATOM 423 N GLN A 28 1.144 -15.413 -0.051 1.00 0.00 N ATOM 424 CA GLN A 28 1.821 -16.583 0.494 1.00 0.00 C ATOM 425 C GLN A 28 0.837 -17.489 1.227 1.00 0.00 C ATOM 426 O GLN A 28 0.947 -18.714 1.169 1.00 0.00 O ATOM 427 CB GLN A 28 2.941 -16.153 1.444 1.00 0.00 C ATOM 428 CG GLN A 28 2.472 -15.238 2.564 1.00 0.00 C ATOM 429 CD GLN A 28 3.439 -15.201 3.730 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.575 -15.663 3.625 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.992 -14.648 4.852 1.00 0.00 N ATOM 0 H GLN A 28 1.427 -14.528 0.369 1.00 0.00 H new ATOM 0 HA GLN A 28 2.252 -17.142 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.398 -17.042 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.716 -15.644 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.341 -14.229 2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.496 -15.572 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.043 -14.277 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.598 -14.594 5.671 1.00 0.00 H new ATOM 440 N GLN A 29 -0.122 -16.879 1.914 1.00 0.00 N ATOM 441 CA GLN A 29 -1.125 -17.632 2.659 1.00 0.00 C ATOM 442 C GLN A 29 -2.079 -18.352 1.712 1.00 0.00 C ATOM 443 O GLN A 29 -2.580 -19.432 2.022 1.00 0.00 O ATOM 444 CB GLN A 29 -1.911 -16.701 3.583 1.00 0.00 C ATOM 445 CG GLN A 29 -1.302 -16.564 4.970 1.00 0.00 C ATOM 446 CD GLN A 29 -2.331 -16.212 6.026 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.941 -17.093 6.633 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.529 -14.919 6.252 1.00 0.00 N ATOM 0 H GLN A 29 -0.226 -15.866 1.971 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.608 -18.378 3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.973 -15.715 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.931 -17.073 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.813 -17.499 5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.530 -15.795 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.001 -14.223 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.209 -14.622 6.952 1.00 0.00 H new ATOM 457 N ASN A 30 -2.327 -17.745 0.556 1.00 0.00 N ATOM 458 CA ASN A 30 -3.223 -18.328 -0.437 1.00 0.00 C ATOM 459 C ASN A 30 -2.608 -18.261 -1.831 1.00 0.00 C ATOM 460 O ASN A 30 -2.885 -17.354 -2.616 1.00 0.00 O ATOM 461 CB ASN A 30 -4.570 -17.604 -0.426 1.00 0.00 C ATOM 462 CG ASN A 30 -5.253 -17.673 0.926 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.583 -18.755 1.413 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.470 -16.516 1.540 1.00 0.00 N ATOM 0 H ASN A 30 -1.920 -16.850 0.284 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.379 -19.375 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.420 -16.560 -0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.221 -18.043 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.927 -16.500 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.180 -15.643 1.100 1.00 0.00 H new ATOM 471 N PRO A 31 -1.752 -19.243 -2.149 1.00 0.00 N ATOM 472 CA PRO A 31 -1.080 -19.319 -3.449 1.00 0.00 C ATOM 473 C PRO A 31 -2.044 -19.660 -4.581 1.00 0.00 C ATOM 474 O PRO A 31 -1.670 -19.643 -5.754 1.00 0.00 O ATOM 475 CB PRO A 31 -0.061 -20.445 -3.258 1.00 0.00 C ATOM 476 CG PRO A 31 -0.634 -21.294 -2.176 1.00 0.00 C ATOM 477 CD PRO A 31 -1.374 -20.357 -1.262 1.00 0.00 C ATOM 0 HA PRO A 31 -0.634 -18.366 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.077 -21.014 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.916 -20.052 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.304 -22.049 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.152 -21.824 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.249 -20.834 -0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.745 -20.019 -0.438 1.00 0.00 H new ATOM 485 N ASP A 32 -3.285 -19.969 -4.221 1.00 0.00 N ATOM 486 CA ASP A 32 -4.304 -20.312 -5.207 1.00 0.00 C ATOM 487 C ASP A 32 -5.313 -19.179 -5.362 1.00 0.00 C ATOM 488 O ASP A 32 -6.060 -19.129 -6.340 1.00 0.00 O ATOM 489 CB ASP A 32 -5.022 -21.600 -4.801 1.00 0.00 C ATOM 490 CG ASP A 32 -4.355 -22.838 -5.368 1.00 0.00 C ATOM 491 OD1 ASP A 32 -3.826 -22.764 -6.497 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.360 -23.881 -4.681 1.00 0.00 O ATOM 0 H ASP A 32 -3.610 -19.989 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.810 -20.467 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.048 -21.671 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.056 -21.559 -5.143 1.00 0.00 H new ATOM 497 N LEU A 33 -5.331 -18.272 -4.392 1.00 0.00 N ATOM 498 CA LEU A 33 -6.250 -17.140 -4.420 1.00 0.00 C ATOM 499 C LEU A 33 -5.655 -15.974 -5.203 1.00 0.00 C ATOM 500 O LEU A 33 -4.435 -15.843 -5.309 1.00 0.00 O ATOM 501 CB LEU A 33 -6.585 -16.694 -2.995 1.00 0.00 C ATOM 502 CG LEU A 33 -7.502 -17.623 -2.199 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.903 -16.977 -0.882 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.734 -17.984 -3.015 1.00 0.00 C ATOM 0 H LEU A 33 -4.719 -18.298 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.165 -17.459 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.652 -16.577 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.052 -15.710 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.956 -18.540 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.556 -17.653 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.010 -16.770 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.431 -16.044 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.375 -18.646 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.283 -17.076 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.428 -18.489 -3.931 1.00 0.00 H new ATOM 516 N HIS A 34 -6.523 -15.129 -5.748 1.00 0.00 N ATOM 517 CA HIS A 34 -6.083 -13.972 -6.519 1.00 0.00 C ATOM 518 C HIS A 34 -6.510 -12.673 -5.842 1.00 0.00 C ATOM 519 O HIS A 34 -7.281 -12.686 -4.884 1.00 0.00 O ATOM 520 CB HIS A 34 -6.651 -14.032 -7.938 1.00 0.00 C ATOM 521 CG HIS A 34 -8.137 -14.209 -7.981 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.016 -13.157 -8.131 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.899 -15.324 -7.894 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.254 -13.618 -8.133 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.211 -14.930 -7.991 1.00 0.00 N ATOM 0 H HIS A 34 -7.536 -15.223 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.994 -13.993 -6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.387 -13.115 -8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.180 -14.855 -8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.542 -16.336 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.149 -13.023 -8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.020 -15.550 -7.959 1.00 0.00 H new ATOM 534 N ASN A 35 -6.002 -11.553 -6.347 1.00 0.00 N ATOM 535 CA ASN A 35 -6.329 -10.246 -5.790 1.00 0.00 C ATOM 536 C ASN A 35 -7.769 -10.215 -5.287 1.00 0.00 C ATOM 537 O ASN A 35 -8.016 -10.168 -4.082 1.00 0.00 O ATOM 538 CB ASN A 35 -6.120 -9.154 -6.840 1.00 0.00 C ATOM 539 CG ASN A 35 -5.942 -7.781 -6.220 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.818 -7.323 -6.012 1.00 0.00 O ATOM 541 ND2 ASN A 35 -7.053 -7.119 -5.921 1.00 0.00 N ATOM 0 H ASN A 35 -5.362 -11.525 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.664 -10.061 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.243 -9.395 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.975 -9.136 -7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.996 -6.191 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.963 -7.538 -6.111 1.00 0.00 H new ATOM 548 N ALA A 36 -8.717 -10.241 -6.219 1.00 0.00 N ATOM 549 CA ALA A 36 -10.132 -10.218 -5.870 1.00 0.00 C ATOM 550 C ALA A 36 -10.389 -10.971 -4.570 1.00 0.00 C ATOM 551 O ALA A 36 -11.211 -10.555 -3.754 1.00 0.00 O ATOM 552 CB ALA A 36 -10.963 -10.810 -6.999 1.00 0.00 C ATOM 0 H ALA A 36 -8.530 -10.278 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.428 -9.179 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.018 -10.787 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.811 -10.227 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.656 -11.841 -7.174 1.00 0.00 H new ATOM 558 N GLU A 37 -9.681 -12.081 -4.384 1.00 0.00 N ATOM 559 CA GLU A 37 -9.836 -12.892 -3.182 1.00 0.00 C ATOM 560 C GLU A 37 -9.078 -12.277 -2.009 1.00 0.00 C ATOM 561 O GLU A 37 -9.585 -12.222 -0.888 1.00 0.00 O ATOM 562 CB GLU A 37 -9.338 -14.317 -3.435 1.00 0.00 C ATOM 563 CG GLU A 37 -10.157 -15.074 -4.467 1.00 0.00 C ATOM 564 CD GLU A 37 -11.297 -15.857 -3.847 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.360 -15.927 -2.602 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.126 -16.401 -4.606 1.00 0.00 O ATOM 0 H GLU A 37 -8.996 -12.439 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.896 -12.924 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.300 -14.277 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.352 -14.870 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.559 -14.369 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.506 -15.758 -5.012 1.00 0.00 H new ATOM 573 N LEU A 38 -7.861 -11.817 -2.276 1.00 0.00 N ATOM 574 CA LEU A 38 -7.031 -11.206 -1.243 1.00 0.00 C ATOM 575 C LEU A 38 -7.726 -9.993 -0.633 1.00 0.00 C ATOM 576 O LEU A 38 -7.788 -9.850 0.588 1.00 0.00 O ATOM 577 CB LEU A 38 -5.678 -10.792 -1.826 1.00 0.00 C ATOM 578 CG LEU A 38 -5.025 -11.792 -2.781 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.651 -11.302 -3.210 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.925 -13.164 -2.130 1.00 0.00 C ATOM 0 H LEU A 38 -7.427 -11.855 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.871 -11.944 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.806 -9.847 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.991 -10.606 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.651 -11.878 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.202 -12.027 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.749 -10.342 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.016 -11.186 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.458 -13.863 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.322 -13.094 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.923 -13.519 -1.875 1.00 0.00 H new ATOM 592 N SER A 39 -8.250 -9.124 -1.491 1.00 0.00 N ATOM 593 CA SER A 39 -8.940 -7.922 -1.036 1.00 0.00 C ATOM 594 C SER A 39 -9.897 -8.246 0.108 1.00 0.00 C ATOM 595 O SER A 39 -9.835 -7.635 1.176 1.00 0.00 O ATOM 596 CB SER A 39 -9.710 -7.282 -2.193 1.00 0.00 C ATOM 597 OG SER A 39 -9.739 -5.871 -2.066 1.00 0.00 O ATOM 0 H SER A 39 -8.210 -9.229 -2.505 1.00 0.00 H new ATOM 0 HA SER A 39 -8.191 -7.218 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.244 -7.556 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.729 -7.670 -2.215 1.00 0.00 H new ATOM 0 HG SER A 39 -10.235 -5.485 -2.818 1.00 0.00 H new ATOM 603 N LYS A 40 -10.781 -9.210 -0.122 1.00 0.00 N ATOM 604 CA LYS A 40 -11.750 -9.618 0.888 1.00 0.00 C ATOM 605 C LYS A 40 -11.123 -9.611 2.278 1.00 0.00 C ATOM 606 O LYS A 40 -11.801 -9.360 3.274 1.00 0.00 O ATOM 607 CB LYS A 40 -12.295 -11.012 0.568 1.00 0.00 C ATOM 608 CG LYS A 40 -13.211 -11.044 -0.643 1.00 0.00 C ATOM 609 CD LYS A 40 -14.667 -10.870 -0.245 1.00 0.00 C ATOM 610 CE LYS A 40 -15.605 -11.277 -1.371 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.909 -11.775 -0.854 1.00 0.00 N ATOM 0 H LYS A 40 -10.847 -9.724 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.572 -8.903 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.458 -11.690 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.839 -11.388 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.926 -10.254 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.087 -11.991 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.878 -11.470 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.850 -9.830 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.777 -10.424 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.133 -12.053 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.520 -12.042 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.748 -12.605 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.371 -11.026 -0.300 1.00 0.00 H new ATOM 625 N MET A 41 -9.825 -9.888 2.338 1.00 0.00 N ATOM 626 CA MET A 41 -9.106 -9.911 3.607 1.00 0.00 C ATOM 627 C MET A 41 -8.460 -8.559 3.890 1.00 0.00 C ATOM 628 O MET A 41 -8.331 -8.151 5.046 1.00 0.00 O ATOM 629 CB MET A 41 -8.038 -11.007 3.592 1.00 0.00 C ATOM 630 CG MET A 41 -8.546 -12.344 3.077 1.00 0.00 C ATOM 631 SD MET A 41 -7.215 -13.523 2.777 1.00 0.00 S ATOM 632 CE MET A 41 -7.427 -13.834 1.026 1.00 0.00 C ATOM 0 H MET A 41 -9.249 -10.100 1.523 1.00 0.00 H new ATOM 0 HA MET A 41 -9.824 -10.124 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.204 -10.681 2.971 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.651 -11.139 4.602 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.244 -12.766 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.101 -12.186 2.153 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.945 -14.783 0.885 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.014 -13.030 0.582 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.451 -13.879 0.544 1.00 0.00 H new ATOM 642 N LEU A 42 -8.056 -7.867 2.831 1.00 0.00 N ATOM 643 CA LEU A 42 -7.423 -6.560 2.966 1.00 0.00 C ATOM 644 C LEU A 42 -8.434 -5.509 3.413 1.00 0.00 C ATOM 645 O LEU A 42 -8.071 -4.502 4.019 1.00 0.00 O ATOM 646 CB LEU A 42 -6.786 -6.140 1.641 1.00 0.00 C ATOM 647 CG LEU A 42 -5.635 -7.015 1.142 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.191 -6.573 -0.244 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.469 -6.970 2.118 1.00 0.00 C ATOM 0 H LEU A 42 -8.156 -8.189 1.868 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.646 -6.637 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.563 -6.125 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.421 -5.118 1.744 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.988 -8.044 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.371 -7.207 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.027 -6.659 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.856 -5.536 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.659 -7.598 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.116 -5.943 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.795 -7.336 3.092 1.00 0.00 H new ATOM 661 N GLY A 43 -9.706 -5.753 3.112 1.00 0.00 N ATOM 662 CA GLY A 43 -10.750 -4.820 3.492 1.00 0.00 C ATOM 663 C GLY A 43 -11.177 -4.984 4.937 1.00 0.00 C ATOM 664 O GLY A 43 -11.297 -4.004 5.672 1.00 0.00 O ATOM 0 H GLY A 43 -10.032 -6.580 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.397 -3.801 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.614 -4.962 2.843 1.00 0.00 H new ATOM 668 N LYS A 44 -11.408 -6.227 5.346 1.00 0.00 N ATOM 669 CA LYS A 44 -11.824 -6.518 6.713 1.00 0.00 C ATOM 670 C LYS A 44 -10.809 -5.982 7.717 1.00 0.00 C ATOM 671 O LYS A 44 -11.175 -5.507 8.792 1.00 0.00 O ATOM 672 CB LYS A 44 -12.000 -8.026 6.904 1.00 0.00 C ATOM 673 CG LYS A 44 -10.687 -8.789 6.957 1.00 0.00 C ATOM 674 CD LYS A 44 -10.901 -10.239 7.356 1.00 0.00 C ATOM 675 CE LYS A 44 -9.614 -11.043 7.246 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.819 -12.471 7.614 1.00 0.00 N ATOM 0 H LYS A 44 -11.314 -7.049 4.750 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.778 -6.022 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.552 -8.205 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.606 -8.419 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.201 -8.747 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.015 -8.310 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.274 -10.285 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.665 -10.684 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.234 -10.982 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.856 -10.606 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.919 -12.985 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.158 -12.531 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.524 -12.896 6.978 1.00 0.00 H new ATOM 690 N SER A 45 -9.531 -6.060 7.358 1.00 0.00 N ATOM 691 CA SER A 45 -8.463 -5.584 8.229 1.00 0.00 C ATOM 692 C SER A 45 -8.335 -4.066 8.154 1.00 0.00 C ATOM 693 O SER A 45 -7.906 -3.420 9.110 1.00 0.00 O ATOM 694 CB SER A 45 -7.134 -6.239 7.845 1.00 0.00 C ATOM 695 OG SER A 45 -7.025 -7.537 8.403 1.00 0.00 O ATOM 0 H SER A 45 -9.211 -6.448 6.471 1.00 0.00 H new ATOM 0 HA SER A 45 -8.714 -5.859 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.055 -6.299 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.306 -5.620 8.192 1.00 0.00 H new ATOM 0 HG SER A 45 -6.168 -7.935 8.142 1.00 0.00 H new ATOM 701 N TRP A 46 -8.710 -3.504 7.010 1.00 0.00 N ATOM 702 CA TRP A 46 -8.638 -2.061 6.809 1.00 0.00 C ATOM 703 C TRP A 46 -9.724 -1.345 7.605 1.00 0.00 C ATOM 704 O TRP A 46 -9.436 -0.644 8.575 1.00 0.00 O ATOM 705 CB TRP A 46 -8.773 -1.726 5.322 1.00 0.00 C ATOM 706 CG TRP A 46 -8.649 -0.261 5.030 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.621 0.561 4.536 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.486 0.554 5.213 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.132 1.838 4.400 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.825 1.860 4.809 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.192 0.308 5.680 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.916 2.914 4.858 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.291 1.355 5.727 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.656 2.644 5.319 1.00 0.00 C ATOM 0 H TRP A 46 -9.066 -4.025 6.209 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.667 -1.717 7.166 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.008 -2.266 4.764 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.739 -2.080 4.963 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.626 0.253 4.289 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.657 2.640 4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.901 -0.682 5.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.195 3.909 4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.288 1.176 6.085 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.929 3.441 5.369 1.00 0.00 H new ATOM 725 N LYS A 47 -10.973 -1.526 7.189 1.00 0.00 N ATOM 726 CA LYS A 47 -12.103 -0.899 7.864 1.00 0.00 C ATOM 727 C LYS A 47 -11.928 -0.950 9.378 1.00 0.00 C ATOM 728 O LYS A 47 -12.403 -0.071 10.097 1.00 0.00 O ATOM 729 CB LYS A 47 -13.409 -1.591 7.467 1.00 0.00 C ATOM 730 CG LYS A 47 -14.084 -0.967 6.258 1.00 0.00 C ATOM 731 CD LYS A 47 -14.853 -2.002 5.453 1.00 0.00 C ATOM 732 CE LYS A 47 -15.510 -3.034 6.356 1.00 0.00 C ATOM 733 NZ LYS A 47 -16.703 -3.654 5.715 1.00 0.00 N ATOM 0 H LYS A 47 -11.228 -2.102 6.387 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.145 0.146 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.205 -2.641 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.097 -1.563 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.764 -0.181 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.333 -0.496 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.615 -1.505 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.176 -2.502 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.787 -3.811 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.806 -2.561 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.122 -4.352 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.404 -2.917 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.417 -4.127 4.834 1.00 0.00 H new ATOM 747 N ALA A 48 -11.243 -1.983 9.856 1.00 0.00 N ATOM 748 CA ALA A 48 -11.004 -2.146 11.285 1.00 0.00 C ATOM 749 C ALA A 48 -10.045 -1.081 11.805 1.00 0.00 C ATOM 750 O ALA A 48 -10.326 -0.410 12.799 1.00 0.00 O ATOM 751 CB ALA A 48 -10.458 -3.537 11.573 1.00 0.00 C ATOM 0 H ALA A 48 -10.844 -2.720 9.275 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.955 -2.026 11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.284 -3.645 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.179 -4.286 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.519 -3.678 11.037 1.00 0.00 H new ATOM 757 N LEU A 49 -8.911 -0.931 11.129 1.00 0.00 N ATOM 758 CA LEU A 49 -7.909 0.053 11.524 1.00 0.00 C ATOM 759 C LEU A 49 -8.566 1.375 11.908 1.00 0.00 C ATOM 760 O LEU A 49 -9.676 1.680 11.470 1.00 0.00 O ATOM 761 CB LEU A 49 -6.911 0.278 10.387 1.00 0.00 C ATOM 762 CG LEU A 49 -6.000 -0.903 10.050 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.177 -0.605 8.806 1.00 0.00 C ATOM 764 CD2 LEU A 49 -5.092 -1.228 11.227 1.00 0.00 C ATOM 0 H LEU A 49 -8.662 -1.478 10.305 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.378 -0.334 12.394 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.468 0.549 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.285 1.132 10.644 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.625 -1.773 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.535 -1.457 8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.844 -0.422 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.561 0.278 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.451 -2.071 10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.475 -0.360 11.461 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.699 -1.486 12.095 1.00 0.00 H new ATOM 776 N THR A 50 -7.872 2.159 12.728 1.00 0.00 N ATOM 777 CA THR A 50 -8.387 3.449 13.170 1.00 0.00 C ATOM 778 C THR A 50 -7.637 4.597 12.506 1.00 0.00 C ATOM 779 O THR A 50 -6.614 4.389 11.853 1.00 0.00 O ATOM 780 CB THR A 50 -8.285 3.600 14.700 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.926 3.847 15.078 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.792 2.350 15.402 1.00 0.00 C ATOM 0 H THR A 50 -6.952 1.923 13.099 1.00 0.00 H new ATOM 0 HA THR A 50 -9.436 3.488 12.878 1.00 0.00 H new ATOM 0 HB THR A 50 -8.905 4.444 15.002 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.870 3.944 16.052 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.710 2.480 16.481 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.835 2.181 15.135 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.195 1.492 15.094 1.00 0.00 H new ATOM 790 N LEU A 51 -8.150 5.810 12.678 1.00 0.00 N ATOM 791 CA LEU A 51 -7.527 6.994 12.095 1.00 0.00 C ATOM 792 C LEU A 51 -6.021 6.989 12.331 1.00 0.00 C ATOM 793 O LEU A 51 -5.234 7.001 11.385 1.00 0.00 O ATOM 794 CB LEU A 51 -8.144 8.263 12.687 1.00 0.00 C ATOM 795 CG LEU A 51 -7.588 9.587 12.162 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.409 10.044 13.007 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.180 9.453 10.702 1.00 0.00 C ATOM 0 H LEU A 51 -8.995 6.000 13.216 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.707 6.977 11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.218 8.243 12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.009 8.238 13.768 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.372 10.341 12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.027 10.988 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.732 10.181 14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.622 9.291 12.971 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.787 10.405 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.412 8.685 10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.048 9.173 10.106 1.00 0.00 H new ATOM 809 N ALA A 52 -5.626 6.968 13.600 1.00 0.00 N ATOM 810 CA ALA A 52 -4.214 6.956 13.961 1.00 0.00 C ATOM 811 C ALA A 52 -3.454 5.895 13.173 1.00 0.00 C ATOM 812 O ALA A 52 -2.270 6.055 12.881 1.00 0.00 O ATOM 813 CB ALA A 52 -4.053 6.722 15.456 1.00 0.00 C ATOM 0 H ALA A 52 -6.265 6.959 14.395 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.792 7.929 13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.993 6.715 15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.554 7.519 16.005 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.497 5.763 15.724 1.00 0.00 H new ATOM 819 N GLU A 53 -4.144 4.810 12.832 1.00 0.00 N ATOM 820 CA GLU A 53 -3.533 3.722 12.079 1.00 0.00 C ATOM 821 C GLU A 53 -3.423 4.079 10.600 1.00 0.00 C ATOM 822 O GLU A 53 -2.464 3.700 9.927 1.00 0.00 O ATOM 823 CB GLU A 53 -4.346 2.437 12.246 1.00 0.00 C ATOM 824 CG GLU A 53 -4.476 1.981 13.690 1.00 0.00 C ATOM 825 CD GLU A 53 -4.723 0.490 13.811 1.00 0.00 C ATOM 826 OE1 GLU A 53 -3.749 -0.284 13.700 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.891 0.098 14.018 1.00 0.00 O ATOM 0 H GLU A 53 -5.126 4.662 13.066 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.529 3.561 12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.342 2.591 11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.878 1.643 11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.567 2.240 14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.295 2.521 14.165 1.00 0.00 H new ATOM 834 N LYS A 54 -4.412 4.810 10.098 1.00 0.00 N ATOM 835 CA LYS A 54 -4.428 5.220 8.699 1.00 0.00 C ATOM 836 C LYS A 54 -3.628 6.503 8.499 1.00 0.00 C ATOM 837 O LYS A 54 -3.371 6.915 7.368 1.00 0.00 O ATOM 838 CB LYS A 54 -5.868 5.425 8.223 1.00 0.00 C ATOM 839 CG LYS A 54 -6.764 4.222 8.461 1.00 0.00 C ATOM 840 CD LYS A 54 -8.186 4.484 7.992 1.00 0.00 C ATOM 841 CE LYS A 54 -8.875 3.200 7.558 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.566 2.530 8.695 1.00 0.00 N ATOM 0 H LYS A 54 -5.214 5.131 10.640 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.966 4.429 8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.291 6.290 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.860 5.657 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.360 3.357 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.770 3.976 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.755 4.950 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.172 5.189 7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.599 3.423 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.139 2.520 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.546 1.500 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.082 2.768 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.553 2.854 8.741 1.00 0.00 H new ATOM 856 N ARG A 55 -3.236 7.130 9.604 1.00 0.00 N ATOM 857 CA ARG A 55 -2.465 8.366 9.549 1.00 0.00 C ATOM 858 C ARG A 55 -1.203 8.182 8.711 1.00 0.00 C ATOM 859 O ARG A 55 -0.909 8.965 7.808 1.00 0.00 O ATOM 860 CB ARG A 55 -2.091 8.822 10.960 1.00 0.00 C ATOM 861 CG ARG A 55 -2.055 10.333 11.123 1.00 0.00 C ATOM 862 CD ARG A 55 -3.444 10.899 11.374 1.00 0.00 C ATOM 863 NE ARG A 55 -3.508 12.333 11.100 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.049 13.261 11.933 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.496 12.908 13.085 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.144 14.545 11.613 1.00 0.00 N ATOM 0 H ARG A 55 -3.440 6.802 10.548 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.084 9.131 9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.807 8.406 11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.114 8.414 11.217 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.399 10.595 11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.632 10.787 10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.167 10.377 10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.729 10.715 12.410 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.928 12.638 10.222 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.422 11.922 13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.145 13.623 13.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.569 14.820 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.792 15.257 12.252 1.00 0.00 H new ATOM 880 N PRO A 56 -0.438 7.124 9.017 1.00 0.00 N ATOM 881 CA PRO A 56 0.804 6.812 8.304 1.00 0.00 C ATOM 882 C PRO A 56 0.551 6.341 6.876 1.00 0.00 C ATOM 883 O PRO A 56 1.358 6.585 5.979 1.00 0.00 O ATOM 884 CB PRO A 56 1.419 5.686 9.138 1.00 0.00 C ATOM 885 CG PRO A 56 0.261 5.046 9.823 1.00 0.00 C ATOM 886 CD PRO A 56 -0.728 6.148 10.082 1.00 0.00 C ATOM 0 HA PRO A 56 1.447 7.687 8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.951 4.972 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.139 6.075 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.178 4.266 9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.571 4.573 10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.755 5.787 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.595 6.583 11.073 1.00 0.00 H new ATOM 894 N PHE A 57 -0.574 5.663 6.673 1.00 0.00 N ATOM 895 CA PHE A 57 -0.933 5.157 5.353 1.00 0.00 C ATOM 896 C PHE A 57 -1.752 6.186 4.580 1.00 0.00 C ATOM 897 O PHE A 57 -1.967 6.048 3.376 1.00 0.00 O ATOM 898 CB PHE A 57 -1.723 3.853 5.482 1.00 0.00 C ATOM 899 CG PHE A 57 -1.072 2.844 6.385 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.132 2.256 6.034 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.665 2.485 7.585 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.734 1.328 6.863 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.067 1.558 8.418 1.00 0.00 C ATOM 904 CZ PHE A 57 0.133 0.978 8.056 1.00 0.00 C ATOM 0 H PHE A 57 -1.252 5.451 7.405 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.012 4.964 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.720 4.078 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.849 3.415 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.606 2.526 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.604 2.934 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.673 0.877 6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.538 1.287 9.351 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.600 0.252 8.705 1.00 0.00 H new ATOM 914 N VAL A 58 -2.208 7.219 5.282 1.00 0.00 N ATOM 915 CA VAL A 58 -3.003 8.273 4.662 1.00 0.00 C ATOM 916 C VAL A 58 -2.120 9.422 4.190 1.00 0.00 C ATOM 917 O VAL A 58 -2.372 10.022 3.146 1.00 0.00 O ATOM 918 CB VAL A 58 -4.064 8.821 5.636 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.570 10.177 5.165 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.212 7.835 5.782 1.00 0.00 C ATOM 0 H VAL A 58 -2.041 7.348 6.280 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.504 7.828 3.802 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.602 8.952 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.319 10.549 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.738 10.879 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.017 10.075 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.952 8.238 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.676 7.670 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.832 6.889 6.168 1.00 0.00 H new ATOM 930 N GLU A 59 -1.083 9.723 4.966 1.00 0.00 N ATOM 931 CA GLU A 59 -0.162 10.801 4.626 1.00 0.00 C ATOM 932 C GLU A 59 0.735 10.402 3.458 1.00 0.00 C ATOM 933 O GLU A 59 1.359 11.252 2.824 1.00 0.00 O ATOM 934 CB GLU A 59 0.694 11.171 5.839 1.00 0.00 C ATOM 935 CG GLU A 59 -0.118 11.577 7.057 1.00 0.00 C ATOM 936 CD GLU A 59 -0.396 13.066 7.103 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.889 13.609 6.091 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.123 13.690 8.149 1.00 0.00 O ATOM 0 H GLU A 59 -0.860 9.236 5.834 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.751 11.668 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.325 10.321 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.359 11.990 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.063 11.035 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.417 11.283 7.960 1.00 0.00 H new ATOM 945 N GLU A 60 0.794 9.103 3.182 1.00 0.00 N ATOM 946 CA GLU A 60 1.616 8.592 2.091 1.00 0.00 C ATOM 947 C GLU A 60 0.824 8.547 0.788 1.00 0.00 C ATOM 948 O GLU A 60 1.146 9.248 -0.171 1.00 0.00 O ATOM 949 CB GLU A 60 2.141 7.195 2.430 1.00 0.00 C ATOM 950 CG GLU A 60 2.560 6.390 1.212 1.00 0.00 C ATOM 951 CD GLU A 60 3.651 5.384 1.524 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.447 4.548 2.429 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.709 5.434 0.862 1.00 0.00 O ATOM 0 H GLU A 60 0.283 8.386 3.698 1.00 0.00 H new ATOM 0 HA GLU A 60 2.461 9.268 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.993 7.290 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.368 6.647 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.692 5.866 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.909 7.070 0.435 1.00 0.00 H new ATOM 960 N ALA A 61 -0.214 7.717 0.761 1.00 0.00 N ATOM 961 CA ALA A 61 -1.053 7.581 -0.423 1.00 0.00 C ATOM 962 C ALA A 61 -1.274 8.931 -1.097 1.00 0.00 C ATOM 963 O ALA A 61 -0.977 9.101 -2.279 1.00 0.00 O ATOM 964 CB ALA A 61 -2.387 6.948 -0.055 1.00 0.00 C ATOM 0 H ALA A 61 -0.494 7.129 1.546 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.538 6.931 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.003 6.853 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.215 5.961 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.899 7.576 0.674 1.00 0.00 H new ATOM 970 N GLU A 62 -1.798 9.888 -0.337 1.00 0.00 N ATOM 971 CA GLU A 62 -2.060 11.223 -0.863 1.00 0.00 C ATOM 972 C GLU A 62 -0.890 11.713 -1.711 1.00 0.00 C ATOM 973 O GLU A 62 -1.040 11.974 -2.904 1.00 0.00 O ATOM 974 CB GLU A 62 -2.322 12.204 0.281 1.00 0.00 C ATOM 975 CG GLU A 62 -2.339 13.659 -0.157 1.00 0.00 C ATOM 976 CD GLU A 62 -2.988 14.569 0.869 1.00 0.00 C ATOM 977 OE1 GLU A 62 -2.682 14.420 2.070 1.00 0.00 O ATOM 978 OE2 GLU A 62 -3.801 15.428 0.470 1.00 0.00 O ATOM 0 H GLU A 62 -2.049 9.764 0.644 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.946 11.169 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.278 11.962 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.555 12.072 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.317 13.992 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.874 13.744 -1.103 1.00 0.00 H new ATOM 985 N ARG A 63 0.276 11.836 -1.084 1.00 0.00 N ATOM 986 CA ARG A 63 1.472 12.296 -1.779 1.00 0.00 C ATOM 987 C ARG A 63 1.642 11.569 -3.109 1.00 0.00 C ATOM 988 O ARG A 63 2.291 12.073 -4.027 1.00 0.00 O ATOM 989 CB ARG A 63 2.710 12.081 -0.906 1.00 0.00 C ATOM 990 CG ARG A 63 2.616 12.745 0.458 1.00 0.00 C ATOM 991 CD ARG A 63 3.691 12.231 1.403 1.00 0.00 C ATOM 992 NE ARG A 63 4.920 13.015 1.312 1.00 0.00 N ATOM 993 CZ ARG A 63 5.021 14.274 1.724 1.00 0.00 C ATOM 994 NH1 ARG A 63 3.972 14.888 2.254 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.174 14.921 1.608 1.00 0.00 N ATOM 0 H ARG A 63 0.417 11.623 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 63 1.358 13.361 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.867 11.011 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.585 12.467 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.715 13.825 0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.632 12.558 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.318 12.260 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.908 11.188 1.172 1.00 0.00 H new ATOM 0 HE ARG A 63 5.746 12.572 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.085 14.394 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.053 15.855 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.984 14.452 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.250 15.888 1.925 1.00 0.00 H new