USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=7 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= -3.45! C(o=-5.8!,f=-6!) USER MOD Set 1.2: A 41 MET CE :methyl -109:sc= -2.31 (180deg=-5.48!) USER MOD Single : A 12 MET CE :methyl 175:sc= -1.14 (180deg=-1.22) USER MOD Single : A 13 ASN : amide:sc= -7.08! C(o=-7.1!,f=-2.8!) USER MOD Single : A 16 MET CE :methyl 149:sc= -0.336 (180deg=-1.34!) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00652) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -6.01! C(o=-6!,f=-4.9!) USER MOD Single : A 35 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) 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= -0.809 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.560 4.890 -5.498 1.00 0.00 N ATOM 148 CA MET A 12 -2.259 4.027 -4.553 1.00 0.00 C ATOM 149 C MET A 12 -2.935 4.850 -3.461 1.00 0.00 C ATOM 150 O MET A 12 -2.441 5.909 -3.074 1.00 0.00 O ATOM 151 CB MET A 12 -1.284 3.029 -3.924 1.00 0.00 C ATOM 152 CG MET A 12 -0.121 2.662 -4.832 1.00 0.00 C ATOM 153 SD MET A 12 0.663 1.107 -4.362 1.00 0.00 S ATOM 154 CE MET A 12 1.232 1.501 -2.711 1.00 0.00 C ATOM 0 HA MET A 12 -3.027 3.480 -5.099 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.893 3.450 -2.998 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.827 2.122 -3.657 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.476 2.589 -5.860 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.621 3.460 -4.807 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.660 0.610 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.990 2.282 -2.764 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.392 1.851 -2.111 1.00 0.00 H new ATOM 164 N ASN A 13 -4.067 4.358 -2.970 1.00 0.00 N ATOM 165 CA ASN A 13 -4.811 5.049 -1.924 1.00 0.00 C ATOM 166 C ASN A 13 -4.368 4.581 -0.541 1.00 0.00 C ATOM 167 O ASN A 13 -3.452 3.769 -0.413 1.00 0.00 O ATOM 168 CB ASN A 13 -6.313 4.815 -2.097 1.00 0.00 C ATOM 169 CG ASN A 13 -6.626 3.416 -2.592 1.00 0.00 C ATOM 170 OD1 ASN A 13 -6.677 3.169 -3.797 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.839 2.493 -1.661 1.00 0.00 N ATOM 0 H ASN A 13 -4.489 3.483 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.604 6.116 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.816 4.982 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.713 5.545 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.055 1.534 -1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.786 2.743 -0.674 1.00 0.00 H new ATOM 178 N ALA A 14 -5.025 5.099 0.492 1.00 0.00 N ATOM 179 CA ALA A 14 -4.701 4.732 1.865 1.00 0.00 C ATOM 180 C ALA A 14 -4.841 3.229 2.079 1.00 0.00 C ATOM 181 O ALA A 14 -4.005 2.605 2.733 1.00 0.00 O ATOM 182 CB ALA A 14 -5.592 5.491 2.838 1.00 0.00 C ATOM 0 H ALA A 14 -5.785 5.774 0.404 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.662 5.004 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.339 5.207 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.440 6.563 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.636 5.247 2.641 1.00 0.00 H new ATOM 188 N PHE A 15 -5.902 2.653 1.525 1.00 0.00 N ATOM 189 CA PHE A 15 -6.152 1.222 1.657 1.00 0.00 C ATOM 190 C PHE A 15 -5.117 0.416 0.878 1.00 0.00 C ATOM 191 O PHE A 15 -4.565 -0.560 1.386 1.00 0.00 O ATOM 192 CB PHE A 15 -7.559 0.881 1.162 1.00 0.00 C ATOM 193 CG PHE A 15 -7.737 -0.569 0.815 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.273 -1.068 -0.392 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.367 -1.434 1.695 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.436 -2.402 -0.714 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.532 -2.769 1.378 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.065 -3.254 0.173 1.00 0.00 C ATOM 0 H PHE A 15 -6.603 3.155 0.980 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.072 0.960 2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.282 1.154 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.783 1.487 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.779 -0.407 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.733 -1.061 2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.072 -2.778 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.026 -3.432 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.191 -4.297 -0.076 1.00 0.00 H new ATOM 208 N MET A 16 -4.860 0.830 -0.358 1.00 0.00 N ATOM 209 CA MET A 16 -3.891 0.147 -1.207 1.00 0.00 C ATOM 210 C MET A 16 -2.514 0.124 -0.551 1.00 0.00 C ATOM 211 O MET A 16 -1.889 -0.930 -0.432 1.00 0.00 O ATOM 212 CB MET A 16 -3.807 0.830 -2.573 1.00 0.00 C ATOM 213 CG MET A 16 -4.949 0.465 -3.507 1.00 0.00 C ATOM 214 SD MET A 16 -4.504 0.628 -5.246 1.00 0.00 S ATOM 215 CE MET A 16 -3.165 -0.556 -5.365 1.00 0.00 C ATOM 0 H MET A 16 -5.309 1.635 -0.794 1.00 0.00 H new ATOM 0 HA MET A 16 -4.226 -0.881 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.797 1.910 -2.430 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.862 0.563 -3.046 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.260 -0.561 -3.310 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.806 1.104 -3.294 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.145 -0.983 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.218 -0.055 -5.165 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.316 -1.351 -4.635 1.00 0.00 H new ATOM 225 N VAL A 17 -2.046 1.293 -0.126 1.00 0.00 N ATOM 226 CA VAL A 17 -0.743 1.407 0.519 1.00 0.00 C ATOM 227 C VAL A 17 -0.611 0.414 1.668 1.00 0.00 C ATOM 228 O VAL A 17 0.150 -0.550 1.584 1.00 0.00 O ATOM 229 CB VAL A 17 -0.504 2.831 1.054 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.831 2.912 1.779 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.568 3.844 -0.079 1.00 0.00 C ATOM 0 H VAL A 17 -2.550 2.175 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 17 0.007 1.182 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.293 3.069 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.983 3.926 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.833 2.215 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.635 2.654 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.397 4.845 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.198 3.611 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.551 3.803 -0.549 1.00 0.00 H new ATOM 241 N TRP A 18 -1.355 0.657 2.741 1.00 0.00 N ATOM 242 CA TRP A 18 -1.321 -0.216 3.908 1.00 0.00 C ATOM 243 C TRP A 18 -1.457 -1.678 3.498 1.00 0.00 C ATOM 244 O TRP A 18 -0.850 -2.561 4.104 1.00 0.00 O ATOM 245 CB TRP A 18 -2.438 0.159 4.884 1.00 0.00 C ATOM 246 CG TRP A 18 -2.861 -0.976 5.766 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.463 -1.207 7.052 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.762 -2.036 5.427 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.063 -2.346 7.533 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.865 -2.872 6.556 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.494 -2.358 4.281 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.669 -4.009 6.568 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.291 -3.487 4.295 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.374 -4.301 5.432 1.00 0.00 C ATOM 0 H TRP A 18 -1.989 1.451 2.827 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.358 -0.084 4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.103 0.989 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.301 0.512 4.319 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.777 -0.586 7.609 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.932 -2.736 8.466 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.438 -1.736 3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.734 -4.638 7.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.860 -3.746 3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.007 -5.176 5.412 1.00 0.00 H new ATOM 265 N ALA A 19 -2.257 -1.927 2.466 1.00 0.00 N ATOM 266 CA ALA A 19 -2.470 -3.283 1.975 1.00 0.00 C ATOM 267 C ALA A 19 -1.221 -3.818 1.281 1.00 0.00 C ATOM 268 O ALA A 19 -0.911 -5.006 1.368 1.00 0.00 O ATOM 269 CB ALA A 19 -3.659 -3.320 1.027 1.00 0.00 C ATOM 0 H ALA A 19 -2.768 -1.208 1.954 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.681 -3.924 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.807 -4.339 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.554 -2.987 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.470 -2.661 0.180 1.00 0.00 H new ATOM 275 N LYS A 20 -0.508 -2.934 0.592 1.00 0.00 N ATOM 276 CA LYS A 20 0.707 -3.316 -0.117 1.00 0.00 C ATOM 277 C LYS A 20 1.547 -4.275 0.721 1.00 0.00 C ATOM 278 O LYS A 20 2.176 -5.191 0.190 1.00 0.00 O ATOM 279 CB LYS A 20 1.530 -2.074 -0.468 1.00 0.00 C ATOM 280 CG LYS A 20 2.471 -1.635 0.641 1.00 0.00 C ATOM 281 CD LYS A 20 2.732 -0.139 0.592 1.00 0.00 C ATOM 282 CE LYS A 20 3.876 0.197 -0.352 1.00 0.00 C ATOM 283 NZ LYS A 20 5.203 -0.085 0.263 1.00 0.00 N ATOM 0 H LYS A 20 -0.751 -1.947 0.510 1.00 0.00 H new ATOM 0 HA LYS A 20 0.416 -3.823 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.111 -2.276 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.852 -1.254 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.043 -1.899 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.415 -2.173 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.829 0.379 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.967 0.223 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.771 -0.381 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.821 1.250 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.958 0.204 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.293 0.446 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.286 -1.103 0.458 1.00 0.00 H new ATOM 297 N ASP A 21 1.551 -4.060 2.032 1.00 0.00 N ATOM 298 CA ASP A 21 2.311 -4.907 2.943 1.00 0.00 C ATOM 299 C ASP A 21 1.467 -6.083 3.424 1.00 0.00 C ATOM 300 O ASP A 21 1.998 -7.114 3.834 1.00 0.00 O ATOM 301 CB ASP A 21 2.802 -4.092 4.141 1.00 0.00 C ATOM 302 CG ASP A 21 3.769 -4.869 5.012 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.308 -5.733 5.787 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.988 -4.614 4.919 1.00 0.00 O ATOM 0 H ASP A 21 1.036 -3.306 2.487 1.00 0.00 H new ATOM 0 HA ASP A 21 3.172 -5.299 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.288 -3.184 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.946 -3.781 4.741 1.00 0.00 H new ATOM 309 N GLU A 22 0.148 -5.919 3.371 1.00 0.00 N ATOM 310 CA GLU A 22 -0.769 -6.967 3.804 1.00 0.00 C ATOM 311 C GLU A 22 -0.996 -7.985 2.690 1.00 0.00 C ATOM 312 O GLU A 22 -0.692 -9.168 2.844 1.00 0.00 O ATOM 313 CB GLU A 22 -2.106 -6.360 4.234 1.00 0.00 C ATOM 314 CG GLU A 22 -1.992 -5.416 5.419 1.00 0.00 C ATOM 315 CD GLU A 22 -0.850 -5.781 6.348 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.786 -6.951 6.780 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.020 -4.895 6.643 1.00 0.00 O ATOM 0 H GLU A 22 -0.308 -5.072 3.033 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.320 -7.479 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.539 -5.821 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.797 -7.165 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.849 -4.398 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.928 -5.426 5.978 1.00 0.00 H new ATOM 324 N ARG A 23 -1.532 -7.516 1.568 1.00 0.00 N ATOM 325 CA ARG A 23 -1.802 -8.385 0.429 1.00 0.00 C ATOM 326 C ARG A 23 -0.618 -9.310 0.158 1.00 0.00 C ATOM 327 O ARG A 23 -0.790 -10.511 -0.051 1.00 0.00 O ATOM 328 CB ARG A 23 -2.105 -7.550 -0.817 1.00 0.00 C ATOM 329 CG ARG A 23 -2.464 -8.383 -2.036 1.00 0.00 C ATOM 330 CD ARG A 23 -2.019 -7.706 -3.323 1.00 0.00 C ATOM 331 NE ARG A 23 -0.595 -7.899 -3.580 1.00 0.00 N ATOM 332 CZ ARG A 23 0.119 -7.122 -4.387 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.457 -6.105 -5.013 1.00 0.00 N ATOM 334 NH2 ARG A 23 1.411 -7.362 -4.570 1.00 0.00 N ATOM 0 H ARG A 23 -1.788 -6.539 1.423 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.672 -8.996 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.928 -6.870 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.237 -6.934 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.995 -9.364 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.541 -8.546 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.595 -8.103 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.235 -6.639 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.122 -8.673 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.450 -5.918 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.093 -5.510 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.857 -8.144 -4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.958 -6.765 -5.190 1.00 0.00 H new ATOM 348 N LYS A 24 0.583 -8.742 0.163 1.00 0.00 N ATOM 349 CA LYS A 24 1.796 -9.514 -0.080 1.00 0.00 C ATOM 350 C LYS A 24 1.808 -10.787 0.760 1.00 0.00 C ATOM 351 O LYS A 24 2.278 -11.833 0.311 1.00 0.00 O ATOM 352 CB LYS A 24 3.033 -8.670 0.234 1.00 0.00 C ATOM 353 CG LYS A 24 3.090 -8.186 1.673 1.00 0.00 C ATOM 354 CD LYS A 24 4.523 -8.054 2.160 1.00 0.00 C ATOM 355 CE LYS A 24 5.001 -9.328 2.839 1.00 0.00 C ATOM 356 NZ LYS A 24 4.708 -9.322 4.299 1.00 0.00 N ATOM 0 H LYS A 24 0.743 -7.749 0.333 1.00 0.00 H new ATOM 0 HA LYS A 24 1.814 -9.795 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.927 -9.257 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.052 -7.807 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.587 -7.222 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.550 -8.883 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.175 -7.823 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.596 -7.220 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.520 -10.189 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.074 -9.441 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.049 -10.207 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.188 -8.515 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.682 -9.240 4.447 1.00 0.00 H new ATOM 370 N ARG A 25 1.289 -10.691 1.979 1.00 0.00 N ATOM 371 CA ARG A 25 1.240 -11.835 2.881 1.00 0.00 C ATOM 372 C ARG A 25 0.101 -12.777 2.504 1.00 0.00 C ATOM 373 O ARG A 25 0.119 -13.960 2.847 1.00 0.00 O ATOM 374 CB ARG A 25 1.071 -11.365 4.327 1.00 0.00 C ATOM 375 CG ARG A 25 -0.379 -11.297 4.779 1.00 0.00 C ATOM 376 CD ARG A 25 -0.578 -10.240 5.854 1.00 0.00 C ATOM 377 NE ARG A 25 -1.974 -10.140 6.271 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.573 -11.031 7.054 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.900 -12.082 7.503 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.846 -10.871 7.390 1.00 0.00 N ATOM 0 H ARG A 25 0.896 -9.832 2.365 1.00 0.00 H new ATOM 0 HA ARG A 25 2.181 -12.377 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.617 -12.040 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.523 -10.379 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.018 -11.073 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.688 -12.270 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.042 -10.480 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.242 -9.273 5.479 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.519 -9.343 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.921 -12.208 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.362 -12.765 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.366 -10.063 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.305 -11.556 7.991 1.00 0.00 H new ATOM 394 N LEU A 26 -0.890 -12.245 1.797 1.00 0.00 N ATOM 395 CA LEU A 26 -2.039 -13.037 1.373 1.00 0.00 C ATOM 396 C LEU A 26 -1.672 -13.949 0.207 1.00 0.00 C ATOM 397 O LEU A 26 -2.133 -15.087 0.126 1.00 0.00 O ATOM 398 CB LEU A 26 -3.196 -12.121 0.973 1.00 0.00 C ATOM 399 CG LEU A 26 -3.609 -11.072 2.006 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.848 -10.322 1.540 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.856 -11.724 3.359 1.00 0.00 C ATOM 0 H LEU A 26 -0.921 -11.268 1.505 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.349 -13.658 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.924 -11.607 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.063 -12.742 0.748 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.795 -10.356 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.127 -9.580 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.637 -9.823 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.669 -11.026 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.149 -10.963 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.652 -12.463 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.944 -12.215 3.698 1.00 0.00 H new ATOM 413 N ALA A 27 -0.836 -13.442 -0.693 1.00 0.00 N ATOM 414 CA ALA A 27 -0.403 -14.212 -1.853 1.00 0.00 C ATOM 415 C ALA A 27 0.280 -15.508 -1.427 1.00 0.00 C ATOM 416 O ALA A 27 -0.051 -16.585 -1.923 1.00 0.00 O ATOM 417 CB ALA A 27 0.532 -13.381 -2.719 1.00 0.00 C ATOM 0 H ALA A 27 -0.445 -12.501 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.286 -14.471 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.847 -13.968 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.012 -12.486 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.407 -13.093 -2.137 1.00 0.00 H new ATOM 423 N GLN A 28 1.232 -15.395 -0.507 1.00 0.00 N ATOM 424 CA GLN A 28 1.962 -16.559 -0.017 1.00 0.00 C ATOM 425 C GLN A 28 1.039 -17.490 0.763 1.00 0.00 C ATOM 426 O GLN A 28 1.132 -18.712 0.645 1.00 0.00 O ATOM 427 CB GLN A 28 3.129 -16.120 0.868 1.00 0.00 C ATOM 428 CG GLN A 28 2.719 -15.196 2.003 1.00 0.00 C ATOM 429 CD GLN A 28 3.767 -15.112 3.095 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.911 -15.526 2.906 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.381 -14.573 4.246 1.00 0.00 N ATOM 0 H GLN A 28 1.516 -14.510 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 28 2.353 -17.101 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.609 -17.004 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.872 -15.616 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.534 -14.198 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.781 -15.548 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.422 -14.243 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.043 -14.489 5.017 1.00 0.00 H new ATOM 440 N GLN A 29 0.151 -16.905 1.560 1.00 0.00 N ATOM 441 CA GLN A 29 -0.787 -17.683 2.360 1.00 0.00 C ATOM 442 C GLN A 29 -1.776 -18.426 1.469 1.00 0.00 C ATOM 443 O GLN A 29 -2.142 -19.567 1.748 1.00 0.00 O ATOM 444 CB GLN A 29 -1.540 -16.772 3.330 1.00 0.00 C ATOM 445 CG GLN A 29 -0.851 -16.614 4.676 1.00 0.00 C ATOM 446 CD GLN A 29 -1.825 -16.319 5.800 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.435 -17.229 6.363 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.977 -15.043 6.132 1.00 0.00 N ATOM 0 H GLN A 29 0.061 -15.895 1.669 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.218 -18.417 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.658 -15.789 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.541 -17.173 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.301 -17.526 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.120 -15.808 4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.451 -14.322 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.620 -14.784 6.881 1.00 0.00 H new ATOM 457 N ASN A 30 -2.206 -17.771 0.395 1.00 0.00 N ATOM 458 CA ASN A 30 -3.155 -18.370 -0.537 1.00 0.00 C ATOM 459 C ASN A 30 -2.626 -18.307 -1.967 1.00 0.00 C ATOM 460 O ASN A 30 -2.968 -17.415 -2.743 1.00 0.00 O ATOM 461 CB ASN A 30 -4.506 -17.658 -0.449 1.00 0.00 C ATOM 462 CG ASN A 30 -5.115 -17.741 0.937 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.431 -18.827 1.424 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.282 -16.592 1.580 1.00 0.00 N ATOM 0 H ASN A 30 -1.912 -16.826 0.149 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.285 -19.417 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.380 -16.611 -0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.193 -18.098 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.687 -16.586 2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.006 -15.715 1.138 1.00 0.00 H new ATOM 471 N PRO A 31 -1.772 -19.277 -2.325 1.00 0.00 N ATOM 472 CA PRO A 31 -1.178 -19.355 -3.663 1.00 0.00 C ATOM 473 C PRO A 31 -2.201 -19.727 -4.730 1.00 0.00 C ATOM 474 O PRO A 31 -1.890 -19.751 -5.921 1.00 0.00 O ATOM 475 CB PRO A 31 -0.127 -20.459 -3.521 1.00 0.00 C ATOM 476 CG PRO A 31 -0.617 -21.306 -2.398 1.00 0.00 C ATOM 477 CD PRO A 31 -1.320 -20.373 -1.451 1.00 0.00 C ATOM 0 HA PRO A 31 -0.769 -18.397 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.033 -21.037 -4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.857 -20.043 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.295 -22.079 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.210 -21.814 -1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.158 -20.862 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.650 -20.014 -0.670 1.00 0.00 H new ATOM 485 N ASP A 32 -3.423 -20.018 -4.296 1.00 0.00 N ATOM 486 CA ASP A 32 -4.493 -20.388 -5.215 1.00 0.00 C ATOM 487 C ASP A 32 -5.531 -19.275 -5.316 1.00 0.00 C ATOM 488 O ASP A 32 -6.333 -19.242 -6.251 1.00 0.00 O ATOM 489 CB ASP A 32 -5.161 -21.685 -4.757 1.00 0.00 C ATOM 490 CG ASP A 32 -5.876 -22.398 -5.888 1.00 0.00 C ATOM 491 OD1 ASP A 32 -7.060 -22.085 -6.133 1.00 0.00 O ATOM 492 OD2 ASP A 32 -5.252 -23.269 -6.528 1.00 0.00 O ATOM 0 H ASP A 32 -3.697 -20.005 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.055 -20.542 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.407 -22.348 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.874 -21.463 -3.963 1.00 0.00 H new ATOM 497 N LEU A 33 -5.512 -18.364 -4.349 1.00 0.00 N ATOM 498 CA LEU A 33 -6.452 -17.249 -4.329 1.00 0.00 C ATOM 499 C LEU A 33 -5.931 -16.082 -5.161 1.00 0.00 C ATOM 500 O LEU A 33 -4.727 -15.957 -5.388 1.00 0.00 O ATOM 501 CB LEU A 33 -6.701 -16.793 -2.890 1.00 0.00 C ATOM 502 CG LEU A 33 -7.533 -17.737 -2.021 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.803 -17.113 -0.661 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.840 -18.089 -2.717 1.00 0.00 C ATOM 0 H LEU A 33 -4.856 -18.376 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.391 -17.590 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.736 -16.642 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.199 -15.824 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.965 -18.655 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.396 -17.800 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.857 -16.912 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.350 -16.179 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.419 -18.761 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.412 -17.179 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.626 -18.579 -3.667 1.00 0.00 H new ATOM 516 N HIS A 34 -6.845 -15.229 -5.612 1.00 0.00 N ATOM 517 CA HIS A 34 -6.477 -14.070 -6.417 1.00 0.00 C ATOM 518 C HIS A 34 -6.883 -12.774 -5.721 1.00 0.00 C ATOM 519 O HIS A 34 -7.590 -12.794 -4.715 1.00 0.00 O ATOM 520 CB HIS A 34 -7.136 -14.149 -7.795 1.00 0.00 C ATOM 521 CG HIS A 34 -8.620 -14.340 -7.739 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.516 -13.294 -7.801 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.365 -15.465 -7.628 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.747 -13.767 -7.729 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.683 -15.082 -7.624 1.00 0.00 N ATOM 0 H HIS A 34 -7.845 -15.319 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.394 -14.073 -6.539 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.916 -13.235 -8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.693 -14.973 -8.354 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.992 -16.476 -7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.652 -13.178 -7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.483 -15.711 -7.552 1.00 0.00 H new ATOM 534 N ASN A 35 -6.429 -11.649 -6.264 1.00 0.00 N ATOM 535 CA ASN A 35 -6.743 -10.344 -5.694 1.00 0.00 C ATOM 536 C ASN A 35 -8.145 -10.337 -5.092 1.00 0.00 C ATOM 537 O ASN A 35 -8.309 -10.246 -3.876 1.00 0.00 O ATOM 538 CB ASN A 35 -6.629 -9.256 -6.763 1.00 0.00 C ATOM 539 CG ASN A 35 -5.210 -9.092 -7.273 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.904 -9.441 -8.413 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.336 -8.559 -6.427 1.00 0.00 N ATOM 0 H ASN A 35 -5.843 -11.615 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.025 -10.140 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.286 -9.500 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.976 -8.308 -6.351 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.366 -8.424 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.634 -8.284 -5.491 1.00 0.00 H new ATOM 548 N ALA A 36 -9.153 -10.433 -5.953 1.00 0.00 N ATOM 549 CA ALA A 36 -10.541 -10.440 -5.507 1.00 0.00 C ATOM 550 C ALA A 36 -10.689 -11.186 -4.185 1.00 0.00 C ATOM 551 O ALA A 36 -11.443 -10.768 -3.308 1.00 0.00 O ATOM 552 CB ALA A 36 -11.433 -11.063 -6.570 1.00 0.00 C ATOM 0 H ALA A 36 -9.034 -10.507 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.851 -9.407 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.467 -11.062 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.358 -10.486 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.114 -12.088 -6.757 1.00 0.00 H new ATOM 558 N GLU A 37 -9.964 -12.293 -4.051 1.00 0.00 N ATOM 559 CA GLU A 37 -10.017 -13.097 -2.836 1.00 0.00 C ATOM 560 C GLU A 37 -9.196 -12.454 -1.722 1.00 0.00 C ATOM 561 O GLU A 37 -9.631 -12.393 -0.571 1.00 0.00 O ATOM 562 CB GLU A 37 -9.504 -14.512 -3.112 1.00 0.00 C ATOM 563 CG GLU A 37 -10.379 -15.300 -4.072 1.00 0.00 C ATOM 564 CD GLU A 37 -11.514 -16.020 -3.370 1.00 0.00 C ATOM 565 OE1 GLU A 37 -12.153 -15.404 -2.491 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.763 -17.199 -3.698 1.00 0.00 O ATOM 0 H GLU A 37 -9.334 -12.653 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.056 -13.152 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.495 -14.450 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.434 -15.054 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.791 -14.624 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.765 -16.028 -4.603 1.00 0.00 H new ATOM 573 N LEU A 38 -8.007 -11.977 -2.072 1.00 0.00 N ATOM 574 CA LEU A 38 -7.123 -11.339 -1.102 1.00 0.00 C ATOM 575 C LEU A 38 -7.798 -10.128 -0.465 1.00 0.00 C ATOM 576 O LEU A 38 -7.803 -9.980 0.757 1.00 0.00 O ATOM 577 CB LEU A 38 -5.817 -10.914 -1.775 1.00 0.00 C ATOM 578 CG LEU A 38 -5.198 -11.927 -2.739 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.856 -11.427 -3.250 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.041 -13.281 -2.062 1.00 0.00 C ATOM 0 H LEU A 38 -7.632 -12.020 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.901 -12.063 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.997 -9.987 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.087 -10.690 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.868 -12.044 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.431 -12.161 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.995 -10.481 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.178 -11.280 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.599 -13.989 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.393 -13.180 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.019 -13.645 -1.746 1.00 0.00 H new ATOM 592 N SER A 39 -8.367 -9.266 -1.301 1.00 0.00 N ATOM 593 CA SER A 39 -9.043 -8.067 -0.820 1.00 0.00 C ATOM 594 C SER A 39 -9.944 -8.392 0.368 1.00 0.00 C ATOM 595 O SER A 39 -9.849 -7.766 1.424 1.00 0.00 O ATOM 596 CB SER A 39 -9.868 -7.436 -1.943 1.00 0.00 C ATOM 597 OG SER A 39 -9.895 -6.024 -1.824 1.00 0.00 O ATOM 0 H SER A 39 -8.373 -9.376 -2.315 1.00 0.00 H new ATOM 0 HA SER A 39 -8.283 -7.357 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.447 -7.715 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.885 -7.826 -1.914 1.00 0.00 H new ATOM 0 HG SER A 39 -10.427 -5.644 -2.554 1.00 0.00 H new ATOM 603 N LYS A 40 -10.819 -9.375 0.187 1.00 0.00 N ATOM 604 CA LYS A 40 -11.738 -9.786 1.242 1.00 0.00 C ATOM 605 C LYS A 40 -11.054 -9.746 2.605 1.00 0.00 C ATOM 606 O LYS A 40 -11.699 -9.517 3.627 1.00 0.00 O ATOM 607 CB LYS A 40 -12.268 -11.195 0.966 1.00 0.00 C ATOM 608 CG LYS A 40 -13.250 -11.259 -0.191 1.00 0.00 C ATOM 609 CD LYS A 40 -14.684 -11.110 0.286 1.00 0.00 C ATOM 610 CE LYS A 40 -15.676 -11.533 -0.787 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.962 -12.001 -0.200 1.00 0.00 N ATOM 0 H LYS A 40 -10.911 -9.902 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.574 -9.087 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.427 -11.856 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.753 -11.574 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.020 -10.471 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.136 -12.209 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.835 -11.714 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.869 -10.073 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.866 -10.694 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.241 -12.330 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.611 -12.280 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.784 -12.817 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.390 -11.233 0.355 1.00 0.00 H new ATOM 625 N MET A 41 -9.744 -9.971 2.611 1.00 0.00 N ATOM 626 CA MET A 41 -8.973 -9.958 3.849 1.00 0.00 C ATOM 627 C MET A 41 -8.344 -8.588 4.083 1.00 0.00 C ATOM 628 O MET A 41 -8.184 -8.155 5.225 1.00 0.00 O ATOM 629 CB MET A 41 -7.884 -11.032 3.807 1.00 0.00 C ATOM 630 CG MET A 41 -8.389 -12.392 3.352 1.00 0.00 C ATOM 631 SD MET A 41 -7.053 -13.570 3.072 1.00 0.00 S ATOM 632 CE MET A 41 -7.254 -13.901 1.323 1.00 0.00 C ATOM 0 H MET A 41 -9.195 -10.164 1.774 1.00 0.00 H new ATOM 0 HA MET A 41 -9.653 -10.172 4.674 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.089 -10.706 3.136 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.444 -11.130 4.799 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.070 -12.792 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.962 -12.273 2.433 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.638 -14.912 1.186 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.956 -13.185 0.896 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.290 -13.808 0.822 1.00 0.00 H new ATOM 642 N LEU A 42 -7.989 -7.912 2.997 1.00 0.00 N ATOM 643 CA LEU A 42 -7.376 -6.591 3.084 1.00 0.00 C ATOM 644 C LEU A 42 -8.402 -5.542 3.502 1.00 0.00 C ATOM 645 O LEU A 42 -8.047 -4.481 4.013 1.00 0.00 O ATOM 646 CB LEU A 42 -6.753 -6.205 1.741 1.00 0.00 C ATOM 647 CG LEU A 42 -5.632 -7.114 1.236 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.306 -6.803 -0.216 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.393 -6.966 2.107 1.00 0.00 C ATOM 0 H LEU A 42 -8.115 -8.256 2.045 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.593 -6.630 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.542 -6.183 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.362 -5.191 1.822 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.973 -8.148 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.506 -7.460 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.193 -6.961 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.985 -5.765 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.605 -7.620 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.050 -5.932 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.635 -7.240 3.134 1.00 0.00 H new ATOM 661 N GLY A 43 -9.677 -5.847 3.281 1.00 0.00 N ATOM 662 CA GLY A 43 -10.735 -4.922 3.641 1.00 0.00 C ATOM 663 C GLY A 43 -11.124 -5.027 5.103 1.00 0.00 C ATOM 664 O GLY A 43 -11.201 -4.020 5.807 1.00 0.00 O ATOM 0 H GLY A 43 -9.996 -6.719 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.412 -3.903 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.610 -5.116 3.020 1.00 0.00 H new ATOM 668 N LYS A 44 -11.372 -6.249 5.561 1.00 0.00 N ATOM 669 CA LYS A 44 -11.756 -6.483 6.948 1.00 0.00 C ATOM 670 C LYS A 44 -10.690 -5.956 7.904 1.00 0.00 C ATOM 671 O LYS A 44 -11.006 -5.441 8.977 1.00 0.00 O ATOM 672 CB LYS A 44 -11.979 -7.978 7.191 1.00 0.00 C ATOM 673 CG LYS A 44 -10.712 -8.808 7.083 1.00 0.00 C ATOM 674 CD LYS A 44 -10.945 -10.243 7.525 1.00 0.00 C ATOM 675 CE LYS A 44 -11.700 -11.035 6.469 1.00 0.00 C ATOM 676 NZ LYS A 44 -12.536 -12.109 7.074 1.00 0.00 N ATOM 0 H LYS A 44 -11.314 -7.093 4.992 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.686 -5.947 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.410 -8.116 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.709 -8.349 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.356 -8.797 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.930 -8.360 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.987 -10.723 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.508 -10.251 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.335 -10.361 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.990 -11.477 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.035 -12.626 6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.927 -12.767 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.231 -11.685 7.722 1.00 0.00 H new ATOM 690 N SER A 45 -9.429 -6.086 7.507 1.00 0.00 N ATOM 691 CA SER A 45 -8.317 -5.624 8.329 1.00 0.00 C ATOM 692 C SER A 45 -8.128 -4.116 8.191 1.00 0.00 C ATOM 693 O SER A 45 -7.633 -3.455 9.104 1.00 0.00 O ATOM 694 CB SER A 45 -7.028 -6.349 7.936 1.00 0.00 C ATOM 695 OG SER A 45 -6.959 -7.629 8.540 1.00 0.00 O ATOM 0 H SER A 45 -9.151 -6.508 6.621 1.00 0.00 H new ATOM 0 HA SER A 45 -8.549 -5.850 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.981 -6.452 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.166 -5.754 8.238 1.00 0.00 H new ATOM 0 HG SER A 45 -6.127 -8.073 8.272 1.00 0.00 H new ATOM 701 N TRP A 46 -8.526 -3.580 7.043 1.00 0.00 N ATOM 702 CA TRP A 46 -8.402 -2.150 6.784 1.00 0.00 C ATOM 703 C TRP A 46 -9.404 -1.357 7.614 1.00 0.00 C ATOM 704 O TRP A 46 -9.028 -0.631 8.535 1.00 0.00 O ATOM 705 CB TRP A 46 -8.610 -1.860 5.297 1.00 0.00 C ATOM 706 CG TRP A 46 -8.534 -0.402 4.959 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.527 0.367 4.422 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.405 0.461 5.134 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.082 1.657 4.253 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.784 1.740 4.683 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.112 0.278 5.630 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.915 2.827 4.713 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.250 1.358 5.659 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.655 2.620 5.203 1.00 0.00 C ATOM 0 H TRP A 46 -8.937 -4.113 6.277 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.397 -1.841 7.070 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.858 -2.399 4.721 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.583 -2.246 4.992 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.516 0.014 4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.630 2.427 3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.792 -0.690 5.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.225 3.800 4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.248 1.227 6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.959 3.445 5.239 1.00 0.00 H new ATOM 725 N LYS A 47 -10.684 -1.498 7.284 1.00 0.00 N ATOM 726 CA LYS A 47 -11.742 -0.796 8.000 1.00 0.00 C ATOM 727 C LYS A 47 -11.527 -0.881 9.508 1.00 0.00 C ATOM 728 O LYS A 47 -11.842 0.055 10.242 1.00 0.00 O ATOM 729 CB LYS A 47 -13.108 -1.381 7.635 1.00 0.00 C ATOM 730 CG LYS A 47 -13.772 -0.687 6.458 1.00 0.00 C ATOM 731 CD LYS A 47 -13.420 -1.361 5.143 1.00 0.00 C ATOM 732 CE LYS A 47 -14.103 -2.714 5.009 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.118 -3.190 3.598 1.00 0.00 N ATOM 0 H LYS A 47 -11.013 -2.093 6.524 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.712 0.253 7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.990 -2.439 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.765 -1.316 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.854 -0.694 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.461 0.357 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.716 -0.719 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.340 -1.490 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.588 -3.444 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.126 -2.643 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.592 -4.115 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.631 -2.506 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.141 -3.282 3.252 1.00 0.00 H new ATOM 747 N ALA A 48 -10.989 -2.008 9.962 1.00 0.00 N ATOM 748 CA ALA A 48 -10.729 -2.212 11.382 1.00 0.00 C ATOM 749 C ALA A 48 -9.769 -1.157 11.922 1.00 0.00 C ATOM 750 O ALA A 48 -9.922 -0.682 13.048 1.00 0.00 O ATOM 751 CB ALA A 48 -10.171 -3.608 11.620 1.00 0.00 C ATOM 0 H ALA A 48 -10.725 -2.794 9.367 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.673 -2.113 11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.981 -3.747 12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.892 -4.351 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.239 -3.727 11.067 1.00 0.00 H new ATOM 757 N LEU A 49 -8.779 -0.795 11.113 1.00 0.00 N ATOM 758 CA LEU A 49 -7.793 0.204 11.510 1.00 0.00 C ATOM 759 C LEU A 49 -8.474 1.499 11.941 1.00 0.00 C ATOM 760 O LEU A 49 -9.577 1.813 11.492 1.00 0.00 O ATOM 761 CB LEU A 49 -6.826 0.481 10.358 1.00 0.00 C ATOM 762 CG LEU A 49 -5.876 -0.659 9.990 1.00 0.00 C ATOM 763 CD1 LEU A 49 -4.937 -0.232 8.873 1.00 0.00 C ATOM 764 CD2 LEU A 49 -5.087 -1.110 11.210 1.00 0.00 C ATOM 0 H LEU A 49 -8.638 -1.178 10.178 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.233 -0.190 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.410 0.740 9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.229 1.356 10.614 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.470 -1.501 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.268 -1.056 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.519 0.041 7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.349 0.626 9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.416 -1.922 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.504 -0.274 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.775 -1.458 11.980 1.00 0.00 H new ATOM 776 N THR A 50 -7.808 2.250 12.812 1.00 0.00 N ATOM 777 CA THR A 50 -8.347 3.512 13.303 1.00 0.00 C ATOM 778 C THR A 50 -7.642 4.699 12.656 1.00 0.00 C ATOM 779 O THR A 50 -6.574 4.552 12.062 1.00 0.00 O ATOM 780 CB THR A 50 -8.215 3.623 14.833 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.854 3.894 15.189 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.675 2.340 15.510 1.00 0.00 C ATOM 0 H THR A 50 -6.894 2.006 13.192 1.00 0.00 H new ATOM 0 HA THR A 50 -9.404 3.530 13.035 1.00 0.00 H new ATOM 0 HB THR A 50 -8.849 4.442 15.172 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.779 3.965 16.164 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.573 2.442 16.590 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.719 2.151 15.261 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.063 1.507 15.165 1.00 0.00 H new ATOM 790 N LEU A 51 -8.246 5.877 12.776 1.00 0.00 N ATOM 791 CA LEU A 51 -7.676 7.091 12.204 1.00 0.00 C ATOM 792 C LEU A 51 -6.165 7.134 12.413 1.00 0.00 C ATOM 793 O LEU A 51 -5.399 7.234 11.455 1.00 0.00 O ATOM 794 CB LEU A 51 -8.324 8.327 12.830 1.00 0.00 C ATOM 795 CG LEU A 51 -7.957 9.670 12.198 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.684 10.222 12.821 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.797 9.526 10.692 1.00 0.00 C ATOM 0 H LEU A 51 -9.130 6.016 13.265 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.876 7.087 11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.407 8.209 12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.054 8.359 13.886 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.767 10.374 12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.438 11.178 12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.835 10.364 13.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.866 9.520 12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.536 10.492 10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.007 8.807 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.734 9.176 10.258 1.00 0.00 H new ATOM 809 N ALA A 52 -5.745 7.056 13.671 1.00 0.00 N ATOM 810 CA ALA A 52 -4.326 7.082 14.005 1.00 0.00 C ATOM 811 C ALA A 52 -3.559 6.021 13.224 1.00 0.00 C ATOM 812 O ALA A 52 -2.387 6.205 12.898 1.00 0.00 O ATOM 813 CB ALA A 52 -4.133 6.882 15.501 1.00 0.00 C ATOM 0 H ALA A 52 -6.367 6.974 14.476 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.930 8.058 13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.069 6.904 15.737 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.641 7.680 16.043 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.551 5.919 15.796 1.00 0.00 H new ATOM 819 N GLU A 53 -4.228 4.910 12.929 1.00 0.00 N ATOM 820 CA GLU A 53 -3.606 3.819 12.188 1.00 0.00 C ATOM 821 C GLU A 53 -3.518 4.153 10.701 1.00 0.00 C ATOM 822 O GLU A 53 -2.547 3.802 10.031 1.00 0.00 O ATOM 823 CB GLU A 53 -4.397 2.524 12.384 1.00 0.00 C ATOM 824 CG GLU A 53 -4.424 2.041 13.825 1.00 0.00 C ATOM 825 CD GLU A 53 -4.636 0.543 13.934 1.00 0.00 C ATOM 826 OE1 GLU A 53 -3.636 -0.203 13.881 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.802 0.118 14.072 1.00 0.00 O ATOM 0 H GLU A 53 -5.199 4.742 13.192 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.596 3.681 12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.420 2.678 12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.964 1.745 11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.486 2.308 14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.220 2.557 14.362 1.00 0.00 H new ATOM 834 N LYS A 54 -4.539 4.834 10.192 1.00 0.00 N ATOM 835 CA LYS A 54 -4.578 5.217 8.785 1.00 0.00 C ATOM 836 C LYS A 54 -3.832 6.527 8.557 1.00 0.00 C ATOM 837 O LYS A 54 -3.588 6.923 7.417 1.00 0.00 O ATOM 838 CB LYS A 54 -6.028 5.354 8.313 1.00 0.00 C ATOM 839 CG LYS A 54 -6.902 4.167 8.681 1.00 0.00 C ATOM 840 CD LYS A 54 -8.372 4.460 8.434 1.00 0.00 C ATOM 841 CE LYS A 54 -9.145 3.193 8.099 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.594 3.329 8.411 1.00 0.00 N ATOM 0 H LYS A 54 -5.351 5.132 10.733 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.086 4.434 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.458 6.258 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.039 5.481 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.600 3.297 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.752 3.915 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.804 4.928 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.469 5.174 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.021 2.961 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.730 2.355 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.086 2.445 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.714 3.525 9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.996 4.112 7.857 1.00 0.00 H new ATOM 856 N ARG A 55 -3.471 7.195 9.648 1.00 0.00 N ATOM 857 CA ARG A 55 -2.752 8.461 9.566 1.00 0.00 C ATOM 858 C ARG A 55 -1.488 8.314 8.725 1.00 0.00 C ATOM 859 O ARG A 55 -1.231 9.091 7.805 1.00 0.00 O ATOM 860 CB ARG A 55 -2.391 8.958 10.967 1.00 0.00 C ATOM 861 CG ARG A 55 -2.420 10.472 11.102 1.00 0.00 C ATOM 862 CD ARG A 55 -3.832 10.983 11.340 1.00 0.00 C ATOM 863 NE ARG A 55 -3.989 12.373 10.920 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.494 13.405 11.594 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.814 13.205 12.714 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.679 14.641 11.147 1.00 0.00 N ATOM 0 H ARG A 55 -3.665 6.881 10.599 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.404 9.191 9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.085 8.524 11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.395 8.597 11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.777 10.777 11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.015 10.927 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.540 10.358 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.076 10.894 12.399 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.507 12.562 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.670 12.257 13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.435 13.999 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.202 14.799 10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.299 15.433 11.665 1.00 0.00 H new ATOM 880 N PRO A 56 -0.677 7.295 9.047 1.00 0.00 N ATOM 881 CA PRO A 56 0.574 7.023 8.333 1.00 0.00 C ATOM 882 C PRO A 56 0.334 6.513 6.916 1.00 0.00 C ATOM 883 O PRO A 56 1.119 6.782 6.007 1.00 0.00 O ATOM 884 CB PRO A 56 1.240 5.940 9.186 1.00 0.00 C ATOM 885 CG PRO A 56 0.114 5.265 9.889 1.00 0.00 C ATOM 886 CD PRO A 56 -0.920 6.330 10.132 1.00 0.00 C ATOM 0 HA PRO A 56 1.179 7.922 8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.799 5.237 8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.946 6.373 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.294 4.455 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.448 4.824 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.931 5.925 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.800 6.790 11.113 1.00 0.00 H new ATOM 894 N PHE A 57 -0.756 5.775 6.735 1.00 0.00 N ATOM 895 CA PHE A 57 -1.099 5.226 5.428 1.00 0.00 C ATOM 896 C PHE A 57 -1.972 6.200 4.642 1.00 0.00 C ATOM 897 O PHE A 57 -2.214 6.011 3.449 1.00 0.00 O ATOM 898 CB PHE A 57 -1.824 3.888 5.587 1.00 0.00 C ATOM 899 CG PHE A 57 -1.127 2.936 6.516 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.107 2.400 6.182 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.705 2.575 7.722 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.751 1.523 7.034 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.066 1.700 8.579 1.00 0.00 C ATOM 904 CZ PHE A 57 0.164 1.172 8.234 1.00 0.00 C ATOM 0 H PHE A 57 -1.417 5.543 7.477 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.174 5.066 4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.832 4.072 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.925 3.420 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.571 2.671 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.667 2.983 7.996 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.712 1.113 6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.527 1.429 9.517 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.665 0.486 8.901 1.00 0.00 H new ATOM 914 N VAL A 58 -2.443 7.243 5.319 1.00 0.00 N ATOM 915 CA VAL A 58 -3.289 8.247 4.685 1.00 0.00 C ATOM 916 C VAL A 58 -2.460 9.421 4.175 1.00 0.00 C ATOM 917 O VAL A 58 -2.745 9.981 3.117 1.00 0.00 O ATOM 918 CB VAL A 58 -4.361 8.773 5.658 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.920 10.101 5.169 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.472 7.749 5.831 1.00 0.00 C ATOM 0 H VAL A 58 -2.253 7.414 6.306 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.781 7.761 3.843 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.896 8.937 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.676 10.457 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.114 10.832 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.371 9.966 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.220 8.137 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.937 7.550 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.055 6.824 6.230 1.00 0.00 H new ATOM 930 N GLU A 59 -1.433 9.787 4.936 1.00 0.00 N ATOM 931 CA GLU A 59 -0.563 10.896 4.560 1.00 0.00 C ATOM 932 C GLU A 59 0.395 10.483 3.446 1.00 0.00 C ATOM 933 O GLU A 59 1.033 11.327 2.818 1.00 0.00 O ATOM 934 CB GLU A 59 0.230 11.384 5.774 1.00 0.00 C ATOM 935 CG GLU A 59 -0.642 11.752 6.963 1.00 0.00 C ATOM 936 CD GLU A 59 -1.060 13.210 6.952 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.360 14.023 6.313 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.087 13.537 7.582 1.00 0.00 O ATOM 0 H GLU A 59 -1.183 9.333 5.815 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.190 11.708 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.932 10.606 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.822 12.253 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.532 11.123 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.101 11.540 7.885 1.00 0.00 H new ATOM 945 N GLU A 60 0.489 9.178 3.209 1.00 0.00 N ATOM 946 CA GLU A 60 1.370 8.653 2.172 1.00 0.00 C ATOM 947 C GLU A 60 0.655 8.604 0.824 1.00 0.00 C ATOM 948 O GLU A 60 1.084 9.236 -0.141 1.00 0.00 O ATOM 949 CB GLU A 60 1.863 7.255 2.551 1.00 0.00 C ATOM 950 CG GLU A 60 2.295 6.418 1.358 1.00 0.00 C ATOM 951 CD GLU A 60 3.344 5.384 1.720 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.130 4.639 2.699 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.378 5.321 1.023 1.00 0.00 O ATOM 0 H GLU A 60 -0.033 8.466 3.720 1.00 0.00 H new ATOM 0 HA GLU A 60 2.226 9.322 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.702 7.349 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.069 6.731 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.424 5.915 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.690 7.074 0.582 1.00 0.00 H new ATOM 960 N ALA A 61 -0.437 7.848 0.767 1.00 0.00 N ATOM 961 CA ALA A 61 -1.212 7.717 -0.460 1.00 0.00 C ATOM 962 C ALA A 61 -1.446 9.077 -1.109 1.00 0.00 C ATOM 963 O ALA A 61 -1.110 9.285 -2.274 1.00 0.00 O ATOM 964 CB ALA A 61 -2.539 7.030 -0.175 1.00 0.00 C ATOM 0 H ALA A 61 -0.804 7.317 1.557 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.641 7.104 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.108 6.939 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.354 6.038 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.108 7.621 0.543 1.00 0.00 H new ATOM 970 N GLU A 62 -2.026 9.999 -0.346 1.00 0.00 N ATOM 971 CA GLU A 62 -2.307 11.339 -0.849 1.00 0.00 C ATOM 972 C GLU A 62 -1.165 11.839 -1.730 1.00 0.00 C ATOM 973 O GLU A 62 -1.372 12.189 -2.893 1.00 0.00 O ATOM 974 CB GLU A 62 -2.530 12.308 0.314 1.00 0.00 C ATOM 975 CG GLU A 62 -2.565 13.767 -0.108 1.00 0.00 C ATOM 976 CD GLU A 62 -3.374 14.630 0.841 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.587 14.373 0.989 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.793 15.562 1.436 1.00 0.00 O ATOM 0 H GLU A 62 -2.310 9.843 0.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.214 11.291 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.469 12.059 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.736 12.170 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.546 14.150 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.987 13.841 -1.110 1.00 0.00 H new ATOM 985 N ARG A 63 0.038 11.872 -1.168 1.00 0.00 N ATOM 986 CA ARG A 63 1.212 12.331 -1.901 1.00 0.00 C ATOM 987 C ARG A 63 1.348 11.591 -3.228 1.00 0.00 C ATOM 988 O ARG A 63 1.826 12.149 -4.216 1.00 0.00 O ATOM 989 CB ARG A 63 2.475 12.130 -1.061 1.00 0.00 C ATOM 990 CG ARG A 63 2.425 12.827 0.290 1.00 0.00 C ATOM 991 CD ARG A 63 3.349 12.158 1.296 1.00 0.00 C ATOM 992 NE ARG A 63 4.742 12.555 1.108 1.00 0.00 N ATOM 993 CZ ARG A 63 5.211 13.757 1.420 1.00 0.00 C ATOM 994 NH1 ARG A 63 4.404 14.676 1.932 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.492 14.043 1.220 1.00 0.00 N ATOM 0 H ARG A 63 0.226 11.586 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 63 1.087 13.394 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.631 11.063 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.335 12.499 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.710 13.873 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.403 12.816 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.032 12.416 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.265 11.075 1.202 1.00 0.00 H new ATOM 0 HE ARG A 63 5.390 11.872 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.419 14.460 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.768 15.599 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.116 13.339 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.852 14.967 1.460 1.00 0.00 H new