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= -3.65! C(o=-7.4!,f=-7.7!) USER MOD Set 1.2: A 41 MET CE :methyl 134:sc= -3.71! (180deg=-6.3!) USER MOD Single : A 12 MET CE :methyl -133:sc= -0.678 (180deg=-1.37) USER MOD Single : A 13 ASN : amide:sc= -3.48! C(o=-3.5!,f=-11!) USER MOD Single : A 16 MET CE :methyl -129:sc= -1.22 (180deg=-3.29!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.93) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -4.09! C(o=-5.3!,f=-4.1!) USER MOD Single : A 35 ASN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= -0.0918 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.224 5.011 -5.386 1.00 0.00 N ATOM 148 CA MET A 12 -2.958 4.172 -4.446 1.00 0.00 C ATOM 149 C MET A 12 -3.509 5.003 -3.291 1.00 0.00 C ATOM 150 O MET A 12 -3.009 6.089 -3.002 1.00 0.00 O ATOM 151 CB MET A 12 -2.053 3.063 -3.905 1.00 0.00 C ATOM 152 CG MET A 12 -0.952 2.654 -4.870 1.00 0.00 C ATOM 153 SD MET A 12 -0.383 0.965 -4.598 1.00 0.00 S ATOM 154 CE MET A 12 0.164 1.062 -2.895 1.00 0.00 C ATOM 0 HA MET A 12 -3.796 3.721 -4.978 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.601 3.397 -2.971 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.662 2.190 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.316 2.750 -5.893 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.110 3.338 -4.766 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.147 0.600 -2.802 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.224 2.107 -2.591 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.545 0.538 -2.255 1.00 0.00 H new ATOM 164 N ASN A 13 -4.542 4.485 -2.635 1.00 0.00 N ATOM 165 CA ASN A 13 -5.161 5.179 -1.512 1.00 0.00 C ATOM 166 C ASN A 13 -4.702 4.584 -0.184 1.00 0.00 C ATOM 167 O ASN A 13 -3.918 3.636 -0.155 1.00 0.00 O ATOM 168 CB ASN A 13 -6.685 5.105 -1.617 1.00 0.00 C ATOM 169 CG ASN A 13 -7.233 3.770 -1.150 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.813 3.669 -0.068 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.050 2.738 -1.965 1.00 0.00 N ATOM 0 H ASN A 13 -4.968 3.587 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.851 6.223 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.127 5.904 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.984 5.276 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.396 1.815 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.564 2.869 -2.852 1.00 0.00 H new ATOM 178 N ALA A 14 -5.196 5.149 0.913 1.00 0.00 N ATOM 179 CA ALA A 14 -4.839 4.673 2.244 1.00 0.00 C ATOM 180 C ALA A 14 -5.018 3.162 2.353 1.00 0.00 C ATOM 181 O ALA A 14 -4.172 2.466 2.914 1.00 0.00 O ATOM 182 CB ALA A 14 -5.673 5.383 3.300 1.00 0.00 C ATOM 0 H ALA A 14 -5.844 5.936 0.906 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.787 4.901 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.396 5.018 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.492 6.456 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.730 5.184 3.123 1.00 0.00 H new ATOM 188 N PHE A 15 -6.125 2.662 1.814 1.00 0.00 N ATOM 189 CA PHE A 15 -6.416 1.234 1.853 1.00 0.00 C ATOM 190 C PHE A 15 -5.350 0.441 1.102 1.00 0.00 C ATOM 191 O PHE A 15 -4.760 -0.493 1.644 1.00 0.00 O ATOM 192 CB PHE A 15 -7.794 0.956 1.249 1.00 0.00 C ATOM 193 CG PHE A 15 -8.032 -0.495 0.941 1.00 0.00 C ATOM 194 CD1 PHE A 15 -8.484 -1.360 1.925 1.00 0.00 C ATOM 195 CD2 PHE A 15 -7.805 -0.994 -0.331 1.00 0.00 C ATOM 196 CE1 PHE A 15 -8.704 -2.696 1.646 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.024 -2.328 -0.617 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.473 -3.180 0.373 1.00 0.00 C ATOM 0 H PHE A 15 -6.835 3.225 1.345 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.413 0.916 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.562 1.303 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.904 1.536 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.667 -0.986 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.453 -0.333 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.056 -3.360 2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.844 -2.704 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.643 -4.223 0.152 1.00 0.00 H new ATOM 208 N MET A 16 -5.109 0.821 -0.149 1.00 0.00 N ATOM 209 CA MET A 16 -4.114 0.146 -0.974 1.00 0.00 C ATOM 210 C MET A 16 -2.737 0.205 -0.321 1.00 0.00 C ATOM 211 O MET A 16 -2.152 -0.827 0.010 1.00 0.00 O ATOM 212 CB MET A 16 -4.059 0.781 -2.365 1.00 0.00 C ATOM 213 CG MET A 16 -5.249 0.425 -3.242 1.00 0.00 C ATOM 214 SD MET A 16 -5.059 1.006 -4.939 1.00 0.00 S ATOM 215 CE MET A 16 -3.633 0.057 -5.463 1.00 0.00 C ATOM 0 H MET A 16 -5.589 1.592 -0.613 1.00 0.00 H new ATOM 0 HA MET A 16 -4.407 -0.900 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.007 1.865 -2.259 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.143 0.465 -2.864 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.382 -0.657 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.153 0.857 -2.813 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.891 0.726 -5.899 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.200 -0.454 -4.603 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.939 -0.679 -6.207 1.00 0.00 H new ATOM 225 N VAL A 17 -2.223 1.417 -0.140 1.00 0.00 N ATOM 226 CA VAL A 17 -0.915 1.610 0.474 1.00 0.00 C ATOM 227 C VAL A 17 -0.698 0.632 1.623 1.00 0.00 C ATOM 228 O VAL A 17 0.222 -0.185 1.591 1.00 0.00 O ATOM 229 CB VAL A 17 -0.747 3.048 0.999 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.559 3.188 1.765 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.810 4.044 -0.149 1.00 0.00 C ATOM 0 H VAL A 17 -2.693 2.281 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.171 1.426 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.567 3.264 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.660 4.211 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.560 2.501 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.395 2.953 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.690 5.055 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.012 3.831 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.774 3.961 -0.651 1.00 0.00 H new ATOM 241 N TRP A 18 -1.551 0.722 2.637 1.00 0.00 N ATOM 242 CA TRP A 18 -1.453 -0.156 3.798 1.00 0.00 C ATOM 243 C TRP A 18 -1.557 -1.619 3.384 1.00 0.00 C ATOM 244 O TRP A 18 -1.051 -2.506 4.072 1.00 0.00 O ATOM 245 CB TRP A 18 -2.549 0.180 4.811 1.00 0.00 C ATOM 246 CG TRP A 18 -2.896 -0.966 5.712 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.407 -1.200 6.966 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.805 -2.035 5.428 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.957 -2.350 7.478 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.819 -2.881 6.555 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.610 -2.360 4.333 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.605 -4.028 6.615 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.390 -3.499 4.394 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.384 -4.322 5.528 1.00 0.00 C ATOM 0 H TRP A 18 -2.318 1.393 2.679 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.479 0.002 4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.226 1.025 5.418 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.444 0.496 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.693 -0.573 7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.756 -2.745 8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.622 -1.732 3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.601 -4.664 7.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.015 -3.759 3.553 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.006 -5.205 5.545 1.00 0.00 H new ATOM 265 N ALA A 19 -2.215 -1.866 2.256 1.00 0.00 N ATOM 266 CA ALA A 19 -2.382 -3.223 1.750 1.00 0.00 C ATOM 267 C ALA A 19 -1.106 -3.720 1.079 1.00 0.00 C ATOM 268 O ALA A 19 -0.796 -4.911 1.116 1.00 0.00 O ATOM 269 CB ALA A 19 -3.550 -3.283 0.777 1.00 0.00 C ATOM 0 H ALA A 19 -2.641 -1.144 1.675 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.594 -3.876 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.663 -4.302 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.464 -2.978 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.361 -2.612 -0.061 1.00 0.00 H new ATOM 275 N LYS A 20 -0.369 -2.800 0.466 1.00 0.00 N ATOM 276 CA LYS A 20 0.874 -3.144 -0.214 1.00 0.00 C ATOM 277 C LYS A 20 1.716 -4.089 0.638 1.00 0.00 C ATOM 278 O LYS A 20 2.466 -4.911 0.112 1.00 0.00 O ATOM 279 CB LYS A 20 1.673 -1.877 -0.530 1.00 0.00 C ATOM 280 CG LYS A 20 2.606 -1.451 0.590 1.00 0.00 C ATOM 281 CD LYS A 20 2.875 0.044 0.552 1.00 0.00 C ATOM 282 CE LYS A 20 3.984 0.387 -0.431 1.00 0.00 C ATOM 283 NZ LYS A 20 4.671 1.658 -0.072 1.00 0.00 N ATOM 0 H LYS A 20 -0.611 -1.810 0.426 1.00 0.00 H new ATOM 0 HA LYS A 20 0.622 -3.650 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.257 -2.042 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.979 -1.064 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.168 -1.719 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.548 -1.993 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.963 0.572 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.150 0.390 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.711 -0.424 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.567 0.471 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.420 1.856 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.982 2.437 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.092 1.570 0.875 1.00 0.00 H new ATOM 297 N ASP A 21 1.586 -3.967 1.954 1.00 0.00 N ATOM 298 CA ASP A 21 2.333 -4.812 2.878 1.00 0.00 C ATOM 299 C ASP A 21 1.514 -6.036 3.278 1.00 0.00 C ATOM 300 O ASP A 21 2.018 -7.158 3.278 1.00 0.00 O ATOM 301 CB ASP A 21 2.728 -4.018 4.124 1.00 0.00 C ATOM 302 CG ASP A 21 3.816 -4.703 4.927 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.885 -4.993 4.349 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.599 -4.950 6.132 1.00 0.00 O ATOM 0 H ASP A 21 0.970 -3.291 2.405 1.00 0.00 H new ATOM 0 HA ASP A 21 3.237 -5.151 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.070 -3.027 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.850 -3.876 4.754 1.00 0.00 H new ATOM 309 N GLU A 22 0.250 -5.810 3.619 1.00 0.00 N ATOM 310 CA GLU A 22 -0.638 -6.894 4.023 1.00 0.00 C ATOM 311 C GLU A 22 -0.823 -7.897 2.888 1.00 0.00 C ATOM 312 O GLU A 22 -0.482 -9.072 3.021 1.00 0.00 O ATOM 313 CB GLU A 22 -1.996 -6.338 4.454 1.00 0.00 C ATOM 314 CG GLU A 22 -1.935 -5.487 5.711 1.00 0.00 C ATOM 315 CD GLU A 22 -0.821 -5.911 6.649 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.819 -7.085 7.075 1.00 0.00 O ATOM 317 OE2 GLU A 22 0.048 -5.069 6.957 1.00 0.00 O ATOM 0 H GLU A 22 -0.183 -4.886 3.624 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.180 -7.408 4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.409 -5.741 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.683 -7.168 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.792 -4.443 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.889 -5.550 6.234 1.00 0.00 H new ATOM 324 N ARG A 23 -1.367 -7.423 1.771 1.00 0.00 N ATOM 325 CA ARG A 23 -1.600 -8.278 0.613 1.00 0.00 C ATOM 326 C ARG A 23 -0.458 -9.274 0.434 1.00 0.00 C ATOM 327 O ARG A 23 -0.685 -10.469 0.244 1.00 0.00 O ATOM 328 CB ARG A 23 -1.753 -7.429 -0.651 1.00 0.00 C ATOM 329 CG ARG A 23 -2.016 -8.247 -1.905 1.00 0.00 C ATOM 330 CD ARG A 23 -1.460 -7.561 -3.143 1.00 0.00 C ATOM 331 NE ARG A 23 -0.071 -7.934 -3.398 1.00 0.00 N ATOM 332 CZ ARG A 23 0.290 -9.078 -3.970 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.631 -9.954 -4.345 1.00 0.00 N ATOM 334 NH2 ARG A 23 1.574 -9.345 -4.168 1.00 0.00 N ATOM 0 H ARG A 23 -1.654 -6.453 1.644 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.521 -8.835 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.572 -6.724 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.847 -6.840 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.563 -9.233 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.089 -8.400 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.070 -7.823 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.528 -6.480 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 23 0.662 -7.281 -3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.619 -9.751 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.352 -10.831 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.285 -8.672 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.850 -10.223 -4.607 1.00 0.00 H new ATOM 348 N LYS A 24 0.772 -8.773 0.494 1.00 0.00 N ATOM 349 CA LYS A 24 1.951 -9.618 0.340 1.00 0.00 C ATOM 350 C LYS A 24 1.779 -10.935 1.090 1.00 0.00 C ATOM 351 O LYS A 24 2.067 -12.006 0.557 1.00 0.00 O ATOM 352 CB LYS A 24 3.196 -8.888 0.847 1.00 0.00 C ATOM 353 CG LYS A 24 3.437 -7.551 0.168 1.00 0.00 C ATOM 354 CD LYS A 24 4.303 -7.703 -1.071 1.00 0.00 C ATOM 355 CE LYS A 24 5.738 -8.056 -0.709 1.00 0.00 C ATOM 356 NZ LYS A 24 6.655 -7.913 -1.874 1.00 0.00 N ATOM 0 H LYS A 24 0.978 -7.786 0.648 1.00 0.00 H new ATOM 0 HA LYS A 24 2.073 -9.838 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.101 -8.728 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.067 -9.525 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.482 -7.104 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.918 -6.868 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.887 -8.479 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.289 -6.775 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.077 -7.411 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.778 -9.081 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.623 -8.162 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.347 -8.547 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.637 -6.929 -2.211 1.00 0.00 H new ATOM 370 N ARG A 25 1.306 -10.847 2.329 1.00 0.00 N ATOM 371 CA ARG A 25 1.096 -12.032 3.152 1.00 0.00 C ATOM 372 C ARG A 25 -0.028 -12.895 2.585 1.00 0.00 C ATOM 373 O ARG A 25 0.001 -14.122 2.696 1.00 0.00 O ATOM 374 CB ARG A 25 0.767 -11.628 4.590 1.00 0.00 C ATOM 375 CG ARG A 25 -0.719 -11.429 4.843 1.00 0.00 C ATOM 376 CD ARG A 25 -0.965 -10.400 5.935 1.00 0.00 C ATOM 377 NE ARG A 25 -0.429 -10.831 7.224 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.685 -10.211 8.370 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.466 -9.140 8.389 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.160 -10.664 9.502 1.00 0.00 N ATOM 0 H ARG A 25 1.061 -9.968 2.785 1.00 0.00 H new ATOM 0 HA ARG A 25 2.017 -12.615 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.143 -12.394 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.294 -10.704 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.206 -11.108 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.171 -12.379 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.507 -9.453 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.036 -10.221 6.029 1.00 0.00 H new ATOM 0 HE ARG A 25 0.175 -11.653 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.872 -8.790 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.661 -8.666 9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.440 -11.489 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.357 -10.187 10.382 1.00 0.00 H new ATOM 394 N LEU A 26 -1.016 -12.247 1.979 1.00 0.00 N ATOM 395 CA LEU A 26 -2.150 -12.955 1.395 1.00 0.00 C ATOM 396 C LEU A 26 -1.716 -13.772 0.182 1.00 0.00 C ATOM 397 O LEU A 26 -2.089 -14.936 0.041 1.00 0.00 O ATOM 398 CB LEU A 26 -3.243 -11.963 0.992 1.00 0.00 C ATOM 399 CG LEU A 26 -3.651 -10.944 2.057 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.835 -10.118 1.578 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.982 -11.645 3.366 1.00 0.00 C ATOM 0 H LEU A 26 -1.055 -11.233 1.879 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.547 -13.638 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.905 -11.420 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.128 -12.528 0.700 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.811 -10.271 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.112 -9.398 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.563 -9.587 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.680 -10.776 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.270 -10.905 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.806 -12.341 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.107 -12.192 3.717 1.00 0.00 H new ATOM 413 N ALA A 27 -0.925 -13.154 -0.689 1.00 0.00 N ATOM 414 CA ALA A 27 -0.437 -13.825 -1.887 1.00 0.00 C ATOM 415 C ALA A 27 0.305 -15.109 -1.533 1.00 0.00 C ATOM 416 O ALA A 27 0.031 -16.170 -2.094 1.00 0.00 O ATOM 417 CB ALA A 27 0.466 -12.894 -2.682 1.00 0.00 C ATOM 0 H ALA A 27 -0.609 -12.190 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.298 -14.091 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.823 -13.408 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.094 -12.006 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.317 -12.600 -2.067 1.00 0.00 H new ATOM 423 N GLN A 28 1.246 -15.006 -0.599 1.00 0.00 N ATOM 424 CA GLN A 28 2.028 -16.160 -0.172 1.00 0.00 C ATOM 425 C GLN A 28 1.148 -17.178 0.547 1.00 0.00 C ATOM 426 O GLN A 28 1.378 -18.383 0.457 1.00 0.00 O ATOM 427 CB GLN A 28 3.170 -15.718 0.744 1.00 0.00 C ATOM 428 CG GLN A 28 2.706 -14.929 1.957 1.00 0.00 C ATOM 429 CD GLN A 28 3.718 -14.947 3.086 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.862 -15.364 2.904 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.301 -14.492 4.262 1.00 0.00 N ATOM 0 H GLN A 28 1.485 -14.135 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 28 2.447 -16.632 -1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.716 -16.599 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.870 -15.109 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.514 -13.897 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.762 -15.340 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.344 -14.156 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.938 -14.479 5.059 1.00 0.00 H new ATOM 440 N GLN A 29 0.142 -16.683 1.261 1.00 0.00 N ATOM 441 CA GLN A 29 -0.770 -17.550 1.997 1.00 0.00 C ATOM 442 C GLN A 29 -1.735 -18.255 1.048 1.00 0.00 C ATOM 443 O GLN A 29 -2.150 -19.386 1.298 1.00 0.00 O ATOM 444 CB GLN A 29 -1.555 -16.740 3.031 1.00 0.00 C ATOM 445 CG GLN A 29 -0.876 -16.670 4.389 1.00 0.00 C ATOM 446 CD GLN A 29 -1.807 -16.181 5.482 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.870 -16.759 5.712 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.412 -15.111 6.161 1.00 0.00 N ATOM 0 H GLN A 29 -0.062 -15.687 1.345 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.177 -18.306 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.700 -15.728 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.545 -17.181 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.498 -17.658 4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.014 -16.005 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.523 -14.664 5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.997 -14.736 6.907 1.00 0.00 H new ATOM 457 N ASN A 30 -2.086 -17.579 -0.041 1.00 0.00 N ATOM 458 CA ASN A 30 -3.002 -18.141 -1.027 1.00 0.00 C ATOM 459 C ASN A 30 -2.452 -17.973 -2.439 1.00 0.00 C ATOM 460 O ASN A 30 -2.799 -17.038 -3.161 1.00 0.00 O ATOM 461 CB ASN A 30 -4.374 -17.471 -0.919 1.00 0.00 C ATOM 462 CG ASN A 30 -4.992 -17.638 0.456 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.295 -18.753 0.882 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.183 -16.527 1.158 1.00 0.00 N ATOM 0 H ASN A 30 -1.750 -16.642 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.108 -19.206 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.275 -16.409 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.042 -17.895 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.596 -16.577 2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.917 -15.624 0.766 1.00 0.00 H new ATOM 471 N PRO A 31 -1.572 -18.900 -2.846 1.00 0.00 N ATOM 472 CA PRO A 31 -0.955 -18.877 -4.175 1.00 0.00 C ATOM 473 C PRO A 31 -1.953 -19.197 -5.283 1.00 0.00 C ATOM 474 O PRO A 31 -1.630 -19.105 -6.467 1.00 0.00 O ATOM 475 CB PRO A 31 0.116 -19.967 -4.088 1.00 0.00 C ATOM 476 CG PRO A 31 -0.375 -20.897 -3.033 1.00 0.00 C ATOM 477 CD PRO A 31 -1.112 -20.042 -2.038 1.00 0.00 C ATOM 0 HA PRO A 31 -0.560 -17.892 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.238 -20.480 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.087 -19.548 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.032 -21.657 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.454 -21.422 -2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.947 -20.578 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.462 -19.722 -1.223 1.00 0.00 H new ATOM 485 N ASP A 32 -3.165 -19.574 -4.890 1.00 0.00 N ATOM 486 CA ASP A 32 -4.210 -19.906 -5.850 1.00 0.00 C ATOM 487 C ASP A 32 -5.274 -18.813 -5.896 1.00 0.00 C ATOM 488 O ASP A 32 -6.061 -18.737 -6.841 1.00 0.00 O ATOM 489 CB ASP A 32 -4.854 -21.246 -5.492 1.00 0.00 C ATOM 490 CG ASP A 32 -4.161 -22.419 -6.158 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.128 -22.458 -7.405 1.00 0.00 O ATOM 492 OD2 ASP A 32 -3.650 -23.296 -5.431 1.00 0.00 O ATOM 0 H ASP A 32 -3.447 -19.657 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.751 -19.983 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.830 -21.380 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.903 -21.232 -5.788 1.00 0.00 H new ATOM 497 N LEU A 33 -5.292 -17.969 -4.870 1.00 0.00 N ATOM 498 CA LEU A 33 -6.259 -16.880 -4.793 1.00 0.00 C ATOM 499 C LEU A 33 -5.749 -15.645 -5.528 1.00 0.00 C ATOM 500 O LEU A 33 -4.543 -15.466 -5.699 1.00 0.00 O ATOM 501 CB LEU A 33 -6.551 -16.534 -3.332 1.00 0.00 C ATOM 502 CG LEU A 33 -7.361 -17.566 -2.546 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.675 -17.049 -1.151 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.643 -17.915 -3.288 1.00 0.00 C ATOM 0 H LEU A 33 -4.648 -18.018 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.180 -17.210 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.601 -16.380 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.086 -15.585 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.762 -18.472 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.252 -17.797 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.745 -16.850 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.254 -16.128 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.207 -18.651 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.245 -17.016 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.396 -18.329 -4.266 1.00 0.00 H new ATOM 516 N HIS A 34 -6.675 -14.794 -5.958 1.00 0.00 N ATOM 517 CA HIS A 34 -6.318 -13.573 -6.672 1.00 0.00 C ATOM 518 C HIS A 34 -6.780 -12.339 -5.903 1.00 0.00 C ATOM 519 O HIS A 34 -7.503 -12.447 -4.914 1.00 0.00 O ATOM 520 CB HIS A 34 -6.936 -13.576 -8.071 1.00 0.00 C ATOM 521 CG HIS A 34 -8.414 -13.821 -8.072 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.122 -14.966 -7.938 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 -9.343 -12.813 -8.229 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 -10.452 -14.634 -8.013 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 -10.558 -13.329 -8.188 1.00 0.00 N flip ATOM 0 H HIS A 34 -7.677 -14.927 -5.825 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.232 -13.539 -6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.734 -12.618 -8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.448 -14.343 -8.673 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.739 -15.902 -7.806 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.113 -11.767 -8.364 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.277 -15.327 -7.941 1.00 0.00 H new ATOM 534 N ASN A 35 -6.355 -11.167 -6.364 1.00 0.00 N ATOM 535 CA ASN A 35 -6.723 -9.913 -5.717 1.00 0.00 C ATOM 536 C ASN A 35 -8.140 -9.985 -5.156 1.00 0.00 C ATOM 537 O ASN A 35 -8.337 -10.007 -3.942 1.00 0.00 O ATOM 538 CB ASN A 35 -6.615 -8.753 -6.709 1.00 0.00 C ATOM 539 CG ASN A 35 -6.446 -7.414 -6.017 1.00 0.00 C ATOM 540 OD1 ASN A 35 -7.247 -6.498 -6.209 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.401 -7.294 -5.207 1.00 0.00 N ATOM 0 H ASN A 35 -5.756 -11.060 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.032 -9.743 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.768 -8.925 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.509 -8.727 -7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.236 -6.416 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.763 -8.079 -5.078 1.00 0.00 H new ATOM 548 N ALA A 36 -9.123 -10.024 -6.049 1.00 0.00 N ATOM 549 CA ALA A 36 -10.521 -10.097 -5.644 1.00 0.00 C ATOM 550 C ALA A 36 -10.681 -10.923 -4.372 1.00 0.00 C ATOM 551 O ALA A 36 -11.488 -10.591 -3.504 1.00 0.00 O ATOM 552 CB ALA A 36 -11.366 -10.684 -6.765 1.00 0.00 C ATOM 0 H ALA A 36 -8.977 -10.006 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.866 -9.084 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.408 -10.732 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.285 -10.053 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.011 -11.687 -7.001 1.00 0.00 H new ATOM 558 N GLU A 37 -9.908 -11.999 -4.269 1.00 0.00 N ATOM 559 CA GLU A 37 -9.967 -12.872 -3.102 1.00 0.00 C ATOM 560 C GLU A 37 -9.177 -12.279 -1.939 1.00 0.00 C ATOM 561 O GLU A 37 -9.630 -12.297 -0.793 1.00 0.00 O ATOM 562 CB GLU A 37 -9.422 -14.260 -3.448 1.00 0.00 C ATOM 563 CG GLU A 37 -10.308 -15.041 -4.404 1.00 0.00 C ATOM 564 CD GLU A 37 -11.332 -15.896 -3.682 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.681 -15.558 -2.532 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.784 -16.902 -4.268 1.00 0.00 O ATOM 0 H GLU A 37 -9.234 -12.287 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.011 -12.964 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.431 -14.152 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.300 -14.833 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.823 -14.346 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.686 -15.678 -5.032 1.00 0.00 H new ATOM 573 N LEU A 38 -7.994 -11.755 -2.240 1.00 0.00 N ATOM 574 CA LEU A 38 -7.140 -11.157 -1.220 1.00 0.00 C ATOM 575 C LEU A 38 -7.841 -9.983 -0.544 1.00 0.00 C ATOM 576 O LEU A 38 -7.866 -9.885 0.683 1.00 0.00 O ATOM 577 CB LEU A 38 -5.822 -10.690 -1.841 1.00 0.00 C ATOM 578 CG LEU A 38 -5.164 -11.657 -2.825 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.835 -11.101 -3.312 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.971 -13.023 -2.183 1.00 0.00 C ATOM 0 H LEU A 38 -7.604 -11.732 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.931 -11.915 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.000 -9.746 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.116 -10.486 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.823 -11.773 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.381 -11.803 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.001 -10.147 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.169 -10.954 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.501 -13.698 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.334 -12.925 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.939 -13.426 -1.886 1.00 0.00 H new ATOM 592 N SER A 39 -8.411 -9.095 -1.352 1.00 0.00 N ATOM 593 CA SER A 39 -9.111 -7.926 -0.832 1.00 0.00 C ATOM 594 C SER A 39 -9.997 -8.306 0.351 1.00 0.00 C ATOM 595 O SER A 39 -9.876 -7.742 1.439 1.00 0.00 O ATOM 596 CB SER A 39 -9.957 -7.281 -1.931 1.00 0.00 C ATOM 597 OG SER A 39 -10.027 -5.876 -1.761 1.00 0.00 O ATOM 0 H SER A 39 -8.402 -9.163 -2.370 1.00 0.00 H new ATOM 0 HA SER A 39 -8.365 -7.209 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.529 -7.512 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.962 -7.703 -1.916 1.00 0.00 H new ATOM 0 HG SER A 39 -10.572 -5.487 -2.477 1.00 0.00 H new ATOM 603 N LYS A 40 -10.888 -9.266 0.130 1.00 0.00 N ATOM 604 CA LYS A 40 -11.795 -9.724 1.176 1.00 0.00 C ATOM 605 C LYS A 40 -11.100 -9.731 2.534 1.00 0.00 C ATOM 606 O LYS A 40 -11.733 -9.508 3.566 1.00 0.00 O ATOM 607 CB LYS A 40 -12.315 -11.126 0.850 1.00 0.00 C ATOM 608 CG LYS A 40 -13.285 -11.159 -0.318 1.00 0.00 C ATOM 609 CD LYS A 40 -14.724 -11.019 0.148 1.00 0.00 C ATOM 610 CE LYS A 40 -15.704 -11.436 -0.938 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.963 -11.990 -0.366 1.00 0.00 N ATOM 0 H LYS A 40 -11.002 -9.742 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.636 -9.032 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.469 -11.775 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.807 -11.536 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.047 -10.354 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.168 -12.096 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.881 -11.631 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.916 -9.985 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.938 -10.576 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.238 -12.183 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.605 -12.262 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.743 -12.826 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.422 -11.269 0.227 1.00 0.00 H new ATOM 625 N MET A 41 -9.796 -9.986 2.525 1.00 0.00 N ATOM 626 CA MET A 41 -9.016 -10.019 3.757 1.00 0.00 C ATOM 627 C MET A 41 -8.395 -8.655 4.043 1.00 0.00 C ATOM 628 O MET A 41 -8.276 -8.246 5.199 1.00 0.00 O ATOM 629 CB MET A 41 -7.919 -11.082 3.663 1.00 0.00 C ATOM 630 CG MET A 41 -8.414 -12.419 3.138 1.00 0.00 C ATOM 631 SD MET A 41 -7.066 -13.540 2.715 1.00 0.00 S ATOM 632 CE MET A 41 -7.366 -13.787 0.967 1.00 0.00 C ATOM 0 H MET A 41 -9.257 -10.173 1.679 1.00 0.00 H new ATOM 0 HA MET A 41 -9.688 -10.272 4.577 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.125 -10.717 3.012 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.480 -11.228 4.650 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.049 -12.888 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.033 -12.252 2.257 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.428 -13.691 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.780 -14.782 0.806 1.00 0.00 H new ATOM 0 HE3 MET A 41 -8.073 -13.038 0.610 1.00 0.00 H new ATOM 642 N LEU A 42 -8.001 -7.955 2.985 1.00 0.00 N ATOM 643 CA LEU A 42 -7.392 -6.637 3.123 1.00 0.00 C ATOM 644 C LEU A 42 -8.405 -5.620 3.638 1.00 0.00 C ATOM 645 O LEU A 42 -8.036 -4.587 4.194 1.00 0.00 O ATOM 646 CB LEU A 42 -6.823 -6.173 1.781 1.00 0.00 C ATOM 647 CG LEU A 42 -5.670 -7.005 1.217 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.290 -6.517 -0.172 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.469 -6.954 2.150 1.00 0.00 C ATOM 0 H LEU A 42 -8.092 -8.278 2.022 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.581 -6.713 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.631 -6.166 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.482 -5.143 1.890 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.999 -8.041 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.468 -7.120 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.149 -6.607 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.980 -5.473 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.658 -7.551 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.138 -5.921 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.749 -7.353 3.125 1.00 0.00 H new ATOM 661 N GLY A 43 -9.686 -5.922 3.450 1.00 0.00 N ATOM 662 CA GLY A 43 -10.734 -5.025 3.902 1.00 0.00 C ATOM 663 C GLY A 43 -11.062 -5.211 5.370 1.00 0.00 C ATOM 664 O GLY A 43 -11.119 -4.244 6.130 1.00 0.00 O ATOM 0 H GLY A 43 -10.017 -6.772 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.425 -3.994 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.632 -5.192 3.308 1.00 0.00 H new ATOM 668 N LYS A 44 -11.281 -6.459 5.772 1.00 0.00 N ATOM 669 CA LYS A 44 -11.606 -6.770 7.159 1.00 0.00 C ATOM 670 C LYS A 44 -10.551 -6.206 8.105 1.00 0.00 C ATOM 671 O LYS A 44 -10.871 -5.733 9.196 1.00 0.00 O ATOM 672 CB LYS A 44 -11.720 -8.284 7.350 1.00 0.00 C ATOM 673 CG LYS A 44 -10.409 -9.024 7.146 1.00 0.00 C ATOM 674 CD LYS A 44 -10.519 -10.480 7.566 1.00 0.00 C ATOM 675 CE LYS A 44 -11.291 -11.298 6.543 1.00 0.00 C ATOM 676 NZ LYS A 44 -11.967 -12.470 7.165 1.00 0.00 N ATOM 0 H LYS A 44 -11.239 -7.271 5.157 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.564 -6.307 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.090 -8.488 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.460 -8.675 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.118 -8.968 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.622 -8.537 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.521 -10.900 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.016 -10.544 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.034 -10.665 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.610 -11.643 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.482 -13.002 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.256 -13.088 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.636 -12.140 7.890 1.00 0.00 H new ATOM 690 N SER A 45 -9.293 -6.258 7.680 1.00 0.00 N ATOM 691 CA SER A 45 -8.190 -5.754 8.491 1.00 0.00 C ATOM 692 C SER A 45 -8.113 -4.232 8.417 1.00 0.00 C ATOM 693 O SER A 45 -7.661 -3.577 9.356 1.00 0.00 O ATOM 694 CB SER A 45 -6.867 -6.366 8.027 1.00 0.00 C ATOM 695 OG SER A 45 -6.707 -7.679 8.534 1.00 0.00 O ATOM 0 H SER A 45 -9.012 -6.644 6.779 1.00 0.00 H new ATOM 0 HA SER A 45 -8.372 -6.042 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.835 -6.387 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.038 -5.741 8.359 1.00 0.00 H new ATOM 0 HG SER A 45 -5.855 -8.049 8.222 1.00 0.00 H new ATOM 701 N TRP A 46 -8.558 -3.677 7.296 1.00 0.00 N ATOM 702 CA TRP A 46 -8.540 -2.232 7.098 1.00 0.00 C ATOM 703 C TRP A 46 -9.612 -1.554 7.944 1.00 0.00 C ATOM 704 O TRP A 46 -9.304 -0.849 8.906 1.00 0.00 O ATOM 705 CB TRP A 46 -8.750 -1.896 5.621 1.00 0.00 C ATOM 706 CG TRP A 46 -8.710 -0.425 5.335 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.744 0.354 4.901 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.578 0.442 5.462 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.323 1.653 4.750 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.998 1.734 5.089 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.251 0.254 5.857 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.138 2.828 5.098 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.397 1.341 5.865 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.843 2.615 5.488 1.00 0.00 C ATOM 0 H TRP A 46 -8.936 -4.206 6.510 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.565 -1.859 7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.982 -2.395 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.711 -2.296 5.298 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.746 0.001 4.705 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.903 2.431 4.436 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.899 -0.724 6.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.480 3.810 4.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.369 1.206 6.167 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.152 3.445 5.505 1.00 0.00 H new ATOM 725 N LYS A 47 -10.871 -1.771 7.581 1.00 0.00 N ATOM 726 CA LYS A 47 -11.990 -1.182 8.308 1.00 0.00 C ATOM 727 C LYS A 47 -11.763 -1.261 9.814 1.00 0.00 C ATOM 728 O LYS A 47 -12.158 -0.365 10.559 1.00 0.00 O ATOM 729 CB LYS A 47 -13.295 -1.892 7.940 1.00 0.00 C ATOM 730 CG LYS A 47 -14.024 -1.258 6.769 1.00 0.00 C ATOM 731 CD LYS A 47 -14.797 -2.291 5.967 1.00 0.00 C ATOM 732 CE LYS A 47 -15.396 -3.360 6.867 1.00 0.00 C ATOM 733 NZ LYS A 47 -16.585 -4.007 6.244 1.00 0.00 N ATOM 0 H LYS A 47 -11.143 -2.351 6.787 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.062 -0.132 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.077 -2.933 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.954 -1.896 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.709 -0.494 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.306 -0.756 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.592 -1.798 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.135 -2.757 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.642 -4.117 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.682 -2.914 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.964 -4.730 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.315 -3.289 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.307 -4.454 5.347 1.00 0.00 H new ATOM 747 N ALA A 48 -11.122 -2.339 10.255 1.00 0.00 N ATOM 748 CA ALA A 48 -10.839 -2.532 11.672 1.00 0.00 C ATOM 749 C ALA A 48 -9.896 -1.454 12.196 1.00 0.00 C ATOM 750 O ALA A 48 -10.083 -0.933 13.296 1.00 0.00 O ATOM 751 CB ALA A 48 -10.247 -3.914 11.908 1.00 0.00 C ATOM 0 H ALA A 48 -10.789 -3.091 9.652 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.779 -2.452 12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.040 -4.045 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.956 -4.674 11.580 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.320 -4.014 11.343 1.00 0.00 H new ATOM 757 N LEU A 49 -8.882 -1.125 11.403 1.00 0.00 N ATOM 758 CA LEU A 49 -7.909 -0.109 11.788 1.00 0.00 C ATOM 759 C LEU A 49 -8.605 1.185 12.197 1.00 0.00 C ATOM 760 O LEU A 49 -9.765 1.415 11.852 1.00 0.00 O ATOM 761 CB LEU A 49 -6.942 0.161 10.634 1.00 0.00 C ATOM 762 CG LEU A 49 -5.971 -0.970 10.292 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.292 -0.705 8.957 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.937 -1.137 11.395 1.00 0.00 C ATOM 0 H LEU A 49 -8.712 -1.547 10.490 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.348 -0.484 12.644 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.526 0.393 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.361 1.051 10.874 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.538 -1.897 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.605 -1.520 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.046 -0.637 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.738 0.232 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.255 -1.946 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.374 -0.210 11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.440 -1.374 12.332 1.00 0.00 H new ATOM 776 N THR A 50 -7.889 2.029 12.932 1.00 0.00 N ATOM 777 CA THR A 50 -8.437 3.301 13.387 1.00 0.00 C ATOM 778 C THR A 50 -7.832 4.468 12.616 1.00 0.00 C ATOM 779 O THR A 50 -6.944 4.281 11.783 1.00 0.00 O ATOM 780 CB THR A 50 -8.190 3.512 14.893 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.802 3.774 15.130 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.623 2.291 15.689 1.00 0.00 C ATOM 0 H THR A 50 -6.928 1.855 13.225 1.00 0.00 H new ATOM 0 HA THR A 50 -9.511 3.266 13.203 1.00 0.00 H new ATOM 0 HB THR A 50 -8.782 4.367 15.219 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.654 3.909 16.089 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.439 2.464 16.749 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.686 2.111 15.530 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.055 1.421 15.359 1.00 0.00 H new ATOM 790 N LEU A 51 -8.317 5.672 12.898 1.00 0.00 N ATOM 791 CA LEU A 51 -7.823 6.872 12.230 1.00 0.00 C ATOM 792 C LEU A 51 -6.307 6.982 12.360 1.00 0.00 C ATOM 793 O LEU A 51 -5.590 7.028 11.361 1.00 0.00 O ATOM 794 CB LEU A 51 -8.488 8.117 12.818 1.00 0.00 C ATOM 795 CG LEU A 51 -8.074 9.454 12.201 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.759 9.932 12.797 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.963 9.332 10.688 1.00 0.00 C ATOM 0 H LEU A 51 -9.052 5.844 13.584 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.074 6.799 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.568 8.011 12.715 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.272 8.150 13.886 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.843 10.192 12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.480 10.884 12.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.872 10.059 13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.981 9.195 12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.668 10.293 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.215 8.580 10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.927 9.036 10.275 1.00 0.00 H new ATOM 809 N ALA A 52 -5.826 7.022 13.598 1.00 0.00 N ATOM 810 CA ALA A 52 -4.395 7.122 13.859 1.00 0.00 C ATOM 811 C ALA A 52 -3.620 6.060 13.086 1.00 0.00 C ATOM 812 O ALA A 52 -2.477 6.280 12.689 1.00 0.00 O ATOM 813 CB ALA A 52 -4.120 6.998 15.350 1.00 0.00 C ATOM 0 H ALA A 52 -6.406 6.987 14.436 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.057 8.101 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.048 7.074 15.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.635 7.797 15.883 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.480 6.033 15.707 1.00 0.00 H new ATOM 819 N GLU A 53 -4.251 4.908 12.878 1.00 0.00 N ATOM 820 CA GLU A 53 -3.619 3.812 12.154 1.00 0.00 C ATOM 821 C GLU A 53 -3.512 4.133 10.666 1.00 0.00 C ATOM 822 O GLU A 53 -2.542 3.758 10.007 1.00 0.00 O ATOM 823 CB GLU A 53 -4.410 2.517 12.352 1.00 0.00 C ATOM 824 CG GLU A 53 -4.106 1.813 13.664 1.00 0.00 C ATOM 825 CD GLU A 53 -2.756 1.123 13.657 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.743 1.798 13.938 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.712 -0.092 13.370 1.00 0.00 O ATOM 0 H GLU A 53 -5.198 4.710 13.200 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.613 3.679 12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.476 2.742 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.193 1.839 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.134 2.539 14.477 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.885 1.078 13.866 1.00 0.00 H new ATOM 834 N LYS A 54 -4.516 4.828 10.143 1.00 0.00 N ATOM 835 CA LYS A 54 -4.536 5.201 8.734 1.00 0.00 C ATOM 836 C LYS A 54 -3.782 6.507 8.505 1.00 0.00 C ATOM 837 O LYS A 54 -3.567 6.919 7.366 1.00 0.00 O ATOM 838 CB LYS A 54 -5.979 5.341 8.243 1.00 0.00 C ATOM 839 CG LYS A 54 -6.845 4.131 8.549 1.00 0.00 C ATOM 840 CD LYS A 54 -8.317 4.424 8.308 1.00 0.00 C ATOM 841 CE LYS A 54 -9.092 3.155 7.987 1.00 0.00 C ATOM 842 NZ LYS A 54 -9.557 2.462 9.221 1.00 0.00 N ATOM 0 H LYS A 54 -5.327 5.145 10.674 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.040 4.412 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.426 6.223 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.973 5.510 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.533 3.292 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.698 3.830 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.744 4.899 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.418 5.132 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.951 3.402 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.461 2.481 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.463 1.434 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.979 2.768 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.554 2.700 9.398 1.00 0.00 H new ATOM 856 N ARG A 55 -3.381 7.152 9.596 1.00 0.00 N ATOM 857 CA ARG A 55 -2.650 8.411 9.514 1.00 0.00 C ATOM 858 C ARG A 55 -1.388 8.252 8.671 1.00 0.00 C ATOM 859 O ARG A 55 -1.128 9.025 7.748 1.00 0.00 O ATOM 860 CB ARG A 55 -2.282 8.904 10.915 1.00 0.00 C ATOM 861 CG ARG A 55 -2.311 10.417 11.055 1.00 0.00 C ATOM 862 CD ARG A 55 -3.726 10.929 11.273 1.00 0.00 C ATOM 863 NE ARG A 55 -3.852 12.347 10.944 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.388 13.324 11.715 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.772 13.038 12.854 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.541 14.590 11.348 1.00 0.00 N ATOM 0 H ARG A 55 -3.550 6.823 10.547 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.296 9.147 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.972 8.467 11.637 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.285 8.543 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.681 10.718 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.891 10.875 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.419 10.352 10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.012 10.771 12.313 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.322 12.600 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.654 12.066 13.140 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.417 13.790 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.015 14.814 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.184 15.340 11.941 1.00 0.00 H new ATOM 880 N PRO A 56 -0.585 7.228 8.994 1.00 0.00 N ATOM 881 CA PRO A 56 0.663 6.945 8.279 1.00 0.00 C ATOM 882 C PRO A 56 0.416 6.433 6.864 1.00 0.00 C ATOM 883 O PRO A 56 1.243 6.623 5.971 1.00 0.00 O ATOM 884 CB PRO A 56 1.322 5.859 9.133 1.00 0.00 C ATOM 885 CG PRO A 56 0.192 5.195 9.840 1.00 0.00 C ATOM 886 CD PRO A 56 -0.833 6.268 10.082 1.00 0.00 C ATOM 0 HA PRO A 56 1.274 7.839 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.874 5.150 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.033 6.288 9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.224 4.387 9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.525 4.754 10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.847 5.871 10.044 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.708 6.730 11.061 1.00 0.00 H new ATOM 894 N PHE A 57 -0.725 5.782 6.665 1.00 0.00 N ATOM 895 CA PHE A 57 -1.080 5.242 5.358 1.00 0.00 C ATOM 896 C PHE A 57 -1.955 6.224 4.583 1.00 0.00 C ATOM 897 O PHE A 57 -2.195 6.050 3.389 1.00 0.00 O ATOM 898 CB PHE A 57 -1.809 3.906 5.515 1.00 0.00 C ATOM 899 CG PHE A 57 -1.091 2.933 6.407 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.118 2.380 6.019 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.627 2.572 7.633 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.781 1.485 6.837 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.968 1.678 8.455 1.00 0.00 C ATOM 904 CZ PHE A 57 0.237 1.132 8.056 1.00 0.00 C ATOM 0 H PHE A 57 -1.420 5.616 7.393 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.159 5.082 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.805 4.090 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.941 3.456 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.548 2.651 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.570 2.994 7.949 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.724 1.062 6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.395 1.406 9.409 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.752 0.431 8.696 1.00 0.00 H new ATOM 914 N VAL A 58 -2.430 7.256 5.274 1.00 0.00 N ATOM 915 CA VAL A 58 -3.278 8.265 4.652 1.00 0.00 C ATOM 916 C VAL A 58 -2.451 9.440 4.142 1.00 0.00 C ATOM 917 O VAL A 58 -2.748 10.012 3.094 1.00 0.00 O ATOM 918 CB VAL A 58 -4.341 8.790 5.636 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.894 10.125 5.164 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.457 7.771 5.807 1.00 0.00 C ATOM 0 H VAL A 58 -2.242 7.415 6.264 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.777 7.783 3.811 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.868 8.944 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.643 10.479 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.084 10.852 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.352 10.003 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.199 8.158 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.929 7.583 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.044 6.840 6.196 1.00 0.00 H new ATOM 930 N GLU A 59 -1.410 9.793 4.890 1.00 0.00 N ATOM 931 CA GLU A 59 -0.540 10.900 4.513 1.00 0.00 C ATOM 932 C GLU A 59 0.408 10.489 3.390 1.00 0.00 C ATOM 933 O GLU A 59 1.082 11.329 2.794 1.00 0.00 O ATOM 934 CB GLU A 59 0.264 11.381 5.723 1.00 0.00 C ATOM 935 CG GLU A 59 -0.595 11.715 6.931 1.00 0.00 C ATOM 936 CD GLU A 59 -1.037 13.166 6.948 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.176 14.047 7.151 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.245 13.419 6.759 1.00 0.00 O ATOM 0 H GLU A 59 -1.149 9.328 5.760 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.168 11.716 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.983 10.610 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.837 12.264 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.474 11.071 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.036 11.499 7.841 1.00 0.00 H new ATOM 945 N GLU A 60 0.453 9.190 3.108 1.00 0.00 N ATOM 946 CA GLU A 60 1.319 8.668 2.057 1.00 0.00 C ATOM 947 C GLU A 60 0.553 8.513 0.747 1.00 0.00 C ATOM 948 O GLU A 60 0.919 9.098 -0.272 1.00 0.00 O ATOM 949 CB GLU A 60 1.911 7.320 2.477 1.00 0.00 C ATOM 950 CG GLU A 60 2.500 6.528 1.322 1.00 0.00 C ATOM 951 CD GLU A 60 3.616 5.600 1.761 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.518 5.036 2.871 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.588 5.437 0.994 1.00 0.00 O ATOM 0 H GLU A 60 -0.099 8.482 3.592 1.00 0.00 H new ATOM 0 HA GLU A 60 2.129 9.381 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.687 7.490 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.134 6.725 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.712 5.943 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.881 7.219 0.570 1.00 0.00 H new ATOM 960 N ALA A 61 -0.513 7.719 0.782 1.00 0.00 N ATOM 961 CA ALA A 61 -1.332 7.488 -0.401 1.00 0.00 C ATOM 962 C ALA A 61 -1.654 8.799 -1.111 1.00 0.00 C ATOM 963 O ALA A 61 -1.540 8.897 -2.332 1.00 0.00 O ATOM 964 CB ALA A 61 -2.615 6.763 -0.021 1.00 0.00 C ATOM 0 H ALA A 61 -0.829 7.225 1.617 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.764 6.862 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.217 6.597 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.370 5.804 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.178 7.368 0.689 1.00 0.00 H new ATOM 970 N GLU A 62 -2.057 9.802 -0.337 1.00 0.00 N ATOM 971 CA GLU A 62 -2.396 11.106 -0.894 1.00 0.00 C ATOM 972 C GLU A 62 -1.301 11.597 -1.837 1.00 0.00 C ATOM 973 O GLU A 62 -1.550 11.852 -3.016 1.00 0.00 O ATOM 974 CB GLU A 62 -2.612 12.124 0.228 1.00 0.00 C ATOM 975 CG GLU A 62 -2.836 13.542 -0.271 1.00 0.00 C ATOM 976 CD GLU A 62 -4.303 13.859 -0.489 1.00 0.00 C ATOM 977 OE1 GLU A 62 -5.152 13.212 0.160 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.602 14.753 -1.307 1.00 0.00 O ATOM 0 H GLU A 62 -2.157 9.737 0.676 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.320 11.000 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.471 11.818 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.745 12.113 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.419 14.247 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.295 13.684 -1.206 1.00 0.00 H new ATOM 985 N ARG A 63 -0.089 11.727 -1.309 1.00 0.00 N ATOM 986 CA ARG A 63 1.044 12.189 -2.102 1.00 0.00 C ATOM 987 C ARG A 63 1.127 11.432 -3.425 1.00 0.00 C ATOM 988 O ARG A 63 1.256 12.036 -4.491 1.00 0.00 O ATOM 989 CB ARG A 63 2.347 12.014 -1.320 1.00 0.00 C ATOM 990 CG ARG A 63 2.387 12.799 -0.019 1.00 0.00 C ATOM 991 CD ARG A 63 3.308 12.144 0.999 1.00 0.00 C ATOM 992 NE ARG A 63 4.714 12.268 0.624 1.00 0.00 N ATOM 993 CZ ARG A 63 5.717 11.835 1.380 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.469 11.253 2.546 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.970 11.983 0.971 1.00 0.00 N ATOM 0 H ARG A 63 0.134 11.519 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 63 0.897 13.247 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.490 10.956 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.182 12.325 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.726 13.816 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.381 12.873 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.152 12.601 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.050 11.089 1.095 1.00 0.00 H new ATOM 0 HE ARG A 63 4.938 12.711 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.507 11.137 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.241 10.921 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.165 12.430 0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.739 11.650 1.553 1.00 0.00 H new