USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 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 69 ASN : amide:sc= -0.513 X(o=-2,f=-1.9) USER MOD Set 1.2: A 100 MET CE :methyl 163:sc= -1.48 (180deg=-1.89!) USER MOD Set 2.1: A 88 THR OG1 : rot -170:sc= 0.563 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.241 K(o=0.8,f=0) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0.0891 X(o=-0.79,f=-0.9) USER MOD Set 3.2: A 37 CYS SG : rot -18:sc= -0.878 USER MOD Set 4.1: A 21 THR OG1 : rot 63:sc= 1.49 USER MOD Set 4.2: A 41 SER OG : rot -168:sc= 0.831 USER MOD Single : A 14 ASN : amide:sc= 0.591 K(o=0.59,f=-3.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 166:sc= 0.956 USER MOD Single : A 19 MET CE :methyl -169:sc= -0.272 (180deg=-0.687) USER MOD Single : A 25 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.61) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 CYS SG : rot 84:sc= -0.0188 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.302 F(o=-2.1!,f=-0.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 0.723 (180deg=0.0633) USER MOD Single : A 59 TYR OH : rot 34:sc= -0.342 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0666) USER MOD Single : A 61 ASN : amide:sc= 0.759 K(o=0.76,f=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.654 (180deg=-0.876) USER MOD Single : A 75 ASN : amide:sc= -2.67! X(o=-2.7!,f=-2.2) USER MOD Single : A 81 ASN : amide:sc= 0.444 X(o=0.44,f=-0.034) USER MOD Single : A 84 CYS SG : rot -89:sc= 0.611 USER MOD Single : A 90 GLN : amide:sc= 0.607 K(o=0.61,f=-7.7!) USER MOD Single : A 95 MET CE :methyl -161:sc= 0 (180deg=-0.291) USER MOD Single : A 96 THR OG1 : rot -76:sc= -0.0976 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.450 17.227 -6.297 1.00 62.33 N ATOM 147 CA ALA A 11 -7.197 16.230 -7.361 1.00 23.33 C ATOM 148 C ALA A 11 -5.744 15.660 -7.358 1.00 74.45 C ATOM 149 O ALA A 11 -5.428 14.810 -8.183 1.00 21.42 O ATOM 150 CB ALA A 11 -7.533 16.854 -8.726 1.00 4.50 C ATOM 0 HA ALA A 11 -7.844 15.376 -7.162 1.00 23.33 H new ATOM 0 HB1 ALA A 11 -7.349 16.125 -9.515 1.00 4.50 H new ATOM 0 HB2 ALA A 11 -8.582 17.149 -8.743 1.00 4.50 H new ATOM 0 HB3 ALA A 11 -6.907 17.731 -8.889 1.00 4.50 H new ATOM 156 N VAL A 12 -4.856 16.165 -6.470 1.00 0.44 N ATOM 157 CA VAL A 12 -3.536 15.531 -6.220 1.00 12.35 C ATOM 158 C VAL A 12 -3.686 14.347 -5.233 1.00 33.11 C ATOM 159 O VAL A 12 -3.392 13.199 -5.576 1.00 40.03 O ATOM 160 CB VAL A 12 -2.473 16.540 -5.631 1.00 2.23 C ATOM 161 CG1 VAL A 12 -1.076 15.880 -5.516 1.00 4.22 C ATOM 162 CG2 VAL A 12 -2.407 17.838 -6.459 1.00 34.14 C ATOM 0 H VAL A 12 -5.026 17.005 -5.917 1.00 0.44 H new ATOM 0 HA VAL A 12 -3.176 15.185 -7.189 1.00 12.35 H new ATOM 0 HB VAL A 12 -2.799 16.807 -4.626 1.00 2.23 H new ATOM 0 HG11 VAL A 12 -0.366 16.599 -5.108 1.00 4.22 H new ATOM 0 HG12 VAL A 12 -1.136 15.014 -4.856 1.00 4.22 H new ATOM 0 HG13 VAL A 12 -0.742 15.561 -6.503 1.00 4.22 H new ATOM 0 HG21 VAL A 12 -1.666 18.509 -6.025 1.00 34.14 H new ATOM 0 HG22 VAL A 12 -2.126 17.601 -7.485 1.00 34.14 H new ATOM 0 HG23 VAL A 12 -3.383 18.323 -6.453 1.00 34.14 H new ATOM 172 N ARG A 13 -4.163 14.656 -4.005 1.00 12.52 N ATOM 173 CA ARG A 13 -4.222 13.680 -2.890 1.00 44.11 C ATOM 174 C ARG A 13 -5.233 12.543 -3.161 1.00 52.10 C ATOM 175 O ARG A 13 -4.933 11.369 -2.925 1.00 70.30 O ATOM 176 CB ARG A 13 -4.566 14.380 -1.546 1.00 42.21 C ATOM 177 CG ARG A 13 -4.523 13.427 -0.328 1.00 22.21 C ATOM 178 CD ARG A 13 -4.877 14.084 1.016 1.00 12.32 C ATOM 179 NE ARG A 13 -4.632 13.136 2.106 1.00 72.45 N ATOM 180 CZ ARG A 13 -4.627 13.386 3.386 1.00 34.34 C ATOM 181 NH1 ARG A 13 -4.965 14.536 3.871 1.00 72.20 N ATOM 182 NH2 ARG A 13 -4.280 12.444 4.189 1.00 50.30 N ATOM 0 H ARG A 13 -4.515 15.581 -3.759 1.00 12.52 H new ATOM 0 HA ARG A 13 -3.229 13.237 -2.816 1.00 44.11 H new ATOM 0 HB2 ARG A 13 -3.866 15.199 -1.382 1.00 42.21 H new ATOM 0 HB3 ARG A 13 -5.560 14.820 -1.618 1.00 42.21 H new ATOM 0 HG2 ARG A 13 -5.212 12.601 -0.506 1.00 22.21 H new ATOM 0 HG3 ARG A 13 -3.524 12.998 -0.255 1.00 22.21 H new ATOM 0 HD2 ARG A 13 -4.279 14.983 1.161 1.00 12.32 H new ATOM 0 HD3 ARG A 13 -5.922 14.393 1.017 1.00 12.32 H new ATOM 0 HE ARG A 13 -4.444 12.171 1.833 1.00 72.45 H new ATOM 0 HH11 ARG A 13 -5.250 15.290 3.245 1.00 72.20 H new ATOM 0 HH12 ARG A 13 -4.947 14.689 4.879 1.00 72.20 H new ATOM 0 HH21 ARG A 13 -4.018 11.530 3.820 1.00 50.30 H new ATOM 0 HH22 ARG A 13 -4.267 12.611 5.195 1.00 50.30 H new ATOM 196 N ASN A 14 -6.423 12.914 -3.669 1.00 54.45 N ATOM 197 CA ASN A 14 -7.497 11.944 -3.985 1.00 11.15 C ATOM 198 C ASN A 14 -7.069 11.005 -5.139 1.00 0.03 C ATOM 199 O ASN A 14 -7.439 9.828 -5.159 1.00 71.41 O ATOM 200 CB ASN A 14 -8.801 12.697 -4.348 1.00 34.24 C ATOM 201 CG ASN A 14 -10.028 11.780 -4.483 1.00 34.44 C ATOM 202 OD1 ASN A 14 -10.122 10.732 -3.847 1.00 43.42 O ATOM 203 ND2 ASN A 14 -10.989 12.178 -5.293 1.00 23.31 N ATOM 0 H ASN A 14 -6.669 13.883 -3.871 1.00 54.45 H new ATOM 0 HA ASN A 14 -7.681 11.329 -3.104 1.00 11.15 H new ATOM 0 HB2 ASN A 14 -9.002 13.447 -3.583 1.00 34.24 H new ATOM 0 HB3 ASN A 14 -8.652 13.231 -5.287 1.00 34.24 H new ATOM 0 HD21 ASN A 14 -11.831 11.613 -5.401 1.00 23.31 H new ATOM 0 HD22 ASN A 14 -10.890 13.051 -5.811 1.00 23.31 H new ATOM 210 N LYS A 15 -6.276 11.555 -6.079 1.00 12.22 N ATOM 211 CA LYS A 15 -5.711 10.794 -7.211 1.00 11.10 C ATOM 212 C LYS A 15 -4.661 9.773 -6.727 1.00 11.31 C ATOM 213 O LYS A 15 -4.653 8.631 -7.169 1.00 13.54 O ATOM 214 CB LYS A 15 -5.100 11.747 -8.252 1.00 31.42 C ATOM 215 CG LYS A 15 -4.679 11.074 -9.580 1.00 50.32 C ATOM 216 CD LYS A 15 -4.244 12.108 -10.635 1.00 14.14 C ATOM 217 CE LYS A 15 -3.887 11.481 -11.990 1.00 43.25 C ATOM 218 NZ LYS A 15 -3.467 12.510 -12.979 1.00 43.15 N ATOM 0 H LYS A 15 -6.009 12.539 -6.075 1.00 12.22 H new ATOM 0 HA LYS A 15 -6.523 10.241 -7.683 1.00 11.10 H new ATOM 0 HB2 LYS A 15 -5.822 12.533 -8.472 1.00 31.42 H new ATOM 0 HB3 LYS A 15 -4.227 12.230 -7.813 1.00 31.42 H new ATOM 0 HG2 LYS A 15 -3.859 10.381 -9.392 1.00 50.32 H new ATOM 0 HG3 LYS A 15 -5.511 10.486 -9.969 1.00 50.32 H new ATOM 0 HD2 LYS A 15 -5.047 12.831 -10.778 1.00 14.14 H new ATOM 0 HD3 LYS A 15 -3.382 12.659 -10.259 1.00 14.14 H new ATOM 0 HE2 LYS A 15 -3.084 10.756 -11.855 1.00 43.25 H new ATOM 0 HE3 LYS A 15 -4.748 10.935 -12.376 1.00 43.25 H new ATOM 0 HZ1 LYS A 15 -3.234 12.049 -13.882 1.00 43.15 H new ATOM 0 HZ2 LYS A 15 -4.243 13.187 -13.126 1.00 43.15 H new ATOM 0 HZ3 LYS A 15 -2.631 13.014 -12.621 1.00 43.15 H new ATOM 232 N CYS A 16 -3.791 10.202 -5.803 1.00 13.34 N ATOM 233 CA CYS A 16 -2.769 9.328 -5.187 1.00 4.13 C ATOM 234 C CYS A 16 -3.422 8.164 -4.402 1.00 2.24 C ATOM 235 O CYS A 16 -3.025 7.009 -4.540 1.00 63.05 O ATOM 236 CB CYS A 16 -1.847 10.162 -4.277 1.00 1.42 C ATOM 237 SG CYS A 16 -0.885 11.416 -5.168 1.00 33.53 S ATOM 0 H CYS A 16 -3.771 11.162 -5.458 1.00 13.34 H new ATOM 0 HA CYS A 16 -2.169 8.884 -5.982 1.00 4.13 H new ATOM 0 HB2 CYS A 16 -2.451 10.654 -3.515 1.00 1.42 H new ATOM 0 HB3 CYS A 16 -1.162 9.492 -3.757 1.00 1.42 H new ATOM 0 HG CYS A 16 -0.371 12.254 -4.317 1.00 33.53 H new ATOM 243 N ARG A 17 -4.461 8.505 -3.623 1.00 31.43 N ATOM 244 CA ARG A 17 -5.251 7.550 -2.814 1.00 24.01 C ATOM 245 C ARG A 17 -5.958 6.499 -3.718 1.00 22.23 C ATOM 246 O ARG A 17 -5.906 5.299 -3.429 1.00 2.52 O ATOM 247 CB ARG A 17 -6.267 8.368 -1.943 1.00 1.30 C ATOM 248 CG ARG A 17 -7.029 7.604 -0.817 1.00 34.43 C ATOM 249 CD ARG A 17 -8.237 6.784 -1.311 1.00 61.43 C ATOM 250 NE ARG A 17 -9.193 7.602 -2.084 1.00 63.43 N ATOM 251 CZ ARG A 17 -10.327 7.166 -2.594 1.00 75.15 C ATOM 252 NH1 ARG A 17 -10.739 5.950 -2.399 1.00 55.20 N ATOM 253 NH2 ARG A 17 -11.062 7.968 -3.287 1.00 52.31 N ATOM 0 H ARG A 17 -4.785 9.468 -3.533 1.00 31.43 H new ATOM 0 HA ARG A 17 -4.595 6.983 -2.154 1.00 24.01 H new ATOM 0 HB2 ARG A 17 -5.726 9.194 -1.482 1.00 1.30 H new ATOM 0 HB3 ARG A 17 -7.007 8.806 -2.612 1.00 1.30 H new ATOM 0 HG2 ARG A 17 -6.332 6.934 -0.313 1.00 34.43 H new ATOM 0 HG3 ARG A 17 -7.373 8.324 -0.074 1.00 34.43 H new ATOM 0 HD2 ARG A 17 -7.884 5.959 -1.930 1.00 61.43 H new ATOM 0 HD3 ARG A 17 -8.748 6.344 -0.455 1.00 61.43 H new ATOM 0 HE ARG A 17 -8.957 8.583 -2.235 1.00 63.43 H new ATOM 0 HH11 ARG A 17 -10.180 5.306 -1.839 1.00 55.20 H new ATOM 0 HH12 ARG A 17 -11.621 5.639 -2.806 1.00 55.20 H new ATOM 0 HH21 ARG A 17 -10.764 8.932 -3.437 1.00 52.31 H new ATOM 0 HH22 ARG A 17 -11.941 7.638 -3.685 1.00 52.31 H new ATOM 267 N GLU A 18 -6.607 6.958 -4.814 1.00 53.23 N ATOM 268 CA GLU A 18 -7.359 6.060 -5.732 1.00 41.35 C ATOM 269 C GLU A 18 -6.418 5.174 -6.588 1.00 4.24 C ATOM 270 O GLU A 18 -6.799 4.078 -6.977 1.00 12.34 O ATOM 271 CB GLU A 18 -8.308 6.849 -6.672 1.00 32.33 C ATOM 272 CG GLU A 18 -7.596 7.704 -7.737 1.00 70.22 C ATOM 273 CD GLU A 18 -8.509 8.195 -8.864 1.00 72.24 C ATOM 274 OE1 GLU A 18 -8.643 7.482 -9.877 1.00 42.03 O ATOM 275 OE2 GLU A 18 -9.100 9.284 -8.745 1.00 72.42 O ATOM 0 H GLU A 18 -6.627 7.941 -5.086 1.00 53.23 H new ATOM 0 HA GLU A 18 -7.956 5.416 -5.087 1.00 41.35 H new ATOM 0 HB2 GLU A 18 -8.968 6.143 -7.175 1.00 32.33 H new ATOM 0 HB3 GLU A 18 -8.939 7.499 -6.066 1.00 32.33 H new ATOM 0 HG2 GLU A 18 -7.143 8.567 -7.250 1.00 70.22 H new ATOM 0 HG3 GLU A 18 -6.784 7.121 -8.171 1.00 70.22 H new ATOM 282 N MET A 19 -5.211 5.681 -6.907 1.00 21.52 N ATOM 283 CA MET A 19 -4.180 4.900 -7.643 1.00 60.22 C ATOM 284 C MET A 19 -3.565 3.786 -6.750 1.00 44.24 C ATOM 285 O MET A 19 -3.209 2.712 -7.249 1.00 65.14 O ATOM 286 CB MET A 19 -3.074 5.826 -8.222 1.00 10.23 C ATOM 287 CG MET A 19 -3.522 6.722 -9.393 1.00 22.43 C ATOM 288 SD MET A 19 -2.161 7.672 -10.128 1.00 20.14 S ATOM 289 CE MET A 19 -1.555 8.627 -8.736 1.00 74.41 C ATOM 0 H MET A 19 -4.919 6.629 -6.669 1.00 21.52 H new ATOM 0 HA MET A 19 -4.679 4.414 -8.481 1.00 60.22 H new ATOM 0 HB2 MET A 19 -2.698 6.462 -7.421 1.00 10.23 H new ATOM 0 HB3 MET A 19 -2.241 5.207 -8.556 1.00 10.23 H new ATOM 0 HG2 MET A 19 -3.980 6.101 -10.163 1.00 22.43 H new ATOM 0 HG3 MET A 19 -4.289 7.412 -9.041 1.00 22.43 H new ATOM 0 HE1 MET A 19 -0.858 9.386 -9.091 1.00 74.41 H new ATOM 0 HE2 MET A 19 -2.393 9.110 -8.234 1.00 74.41 H new ATOM 0 HE3 MET A 19 -1.045 7.966 -8.036 1.00 74.41 H new ATOM 299 N LEU A 20 -3.452 4.053 -5.432 1.00 5.40 N ATOM 300 CA LEU A 20 -3.086 3.012 -4.431 1.00 72.15 C ATOM 301 C LEU A 20 -4.215 1.961 -4.296 1.00 54.52 C ATOM 302 O LEU A 20 -3.949 0.770 -4.105 1.00 4.35 O ATOM 303 CB LEU A 20 -2.775 3.654 -3.051 1.00 40.11 C ATOM 304 CG LEU A 20 -1.553 4.630 -3.000 1.00 64.45 C ATOM 305 CD1 LEU A 20 -1.343 5.203 -1.573 1.00 62.21 C ATOM 306 CD2 LEU A 20 -0.267 3.954 -3.540 1.00 51.23 C ATOM 0 H LEU A 20 -3.607 4.978 -5.030 1.00 5.40 H new ATOM 0 HA LEU A 20 -2.186 2.509 -4.784 1.00 72.15 H new ATOM 0 HB2 LEU A 20 -3.660 4.196 -2.719 1.00 40.11 H new ATOM 0 HB3 LEU A 20 -2.603 2.853 -2.332 1.00 40.11 H new ATOM 0 HG LEU A 20 -1.777 5.471 -3.656 1.00 64.45 H new ATOM 0 HD11 LEU A 20 -0.486 5.877 -1.574 1.00 62.21 H new ATOM 0 HD12 LEU A 20 -2.234 5.750 -1.266 1.00 62.21 H new ATOM 0 HD13 LEU A 20 -1.161 4.385 -0.876 1.00 62.21 H new ATOM 0 HD21 LEU A 20 0.563 4.659 -3.491 1.00 51.23 H new ATOM 0 HD22 LEU A 20 -0.035 3.078 -2.935 1.00 51.23 H new ATOM 0 HD23 LEU A 20 -0.423 3.649 -4.575 1.00 51.23 H new ATOM 318 N THR A 21 -5.479 2.433 -4.401 1.00 25.14 N ATOM 319 CA THR A 21 -6.673 1.553 -4.464 1.00 24.04 C ATOM 320 C THR A 21 -6.639 0.680 -5.740 1.00 64.25 C ATOM 321 O THR A 21 -6.928 -0.507 -5.692 1.00 2.33 O ATOM 322 CB THR A 21 -8.019 2.370 -4.473 1.00 21.35 C ATOM 323 OG1 THR A 21 -8.054 3.315 -3.399 1.00 72.42 O ATOM 324 CG2 THR A 21 -9.247 1.445 -4.369 1.00 10.34 C ATOM 0 H THR A 21 -5.701 3.428 -4.444 1.00 25.14 H new ATOM 0 HA THR A 21 -6.641 0.932 -3.569 1.00 24.04 H new ATOM 0 HB THR A 21 -8.058 2.900 -5.425 1.00 21.35 H new ATOM 0 HG1 THR A 21 -7.330 3.966 -3.513 1.00 72.42 H new ATOM 0 HG21 THR A 21 -10.157 2.045 -4.378 1.00 10.34 H new ATOM 0 HG22 THR A 21 -9.257 0.758 -5.215 1.00 10.34 H new ATOM 0 HG23 THR A 21 -9.197 0.877 -3.440 1.00 10.34 H new ATOM 332 N ALA A 22 -6.267 1.310 -6.871 1.00 74.32 N ATOM 333 CA ALA A 22 -6.210 0.668 -8.207 1.00 22.01 C ATOM 334 C ALA A 22 -5.096 -0.400 -8.279 1.00 72.34 C ATOM 335 O ALA A 22 -5.217 -1.373 -9.017 1.00 71.43 O ATOM 336 CB ALA A 22 -6.017 1.736 -9.292 1.00 35.05 C ATOM 0 H ALA A 22 -5.993 2.292 -6.887 1.00 74.32 H new ATOM 0 HA ALA A 22 -7.157 0.156 -8.379 1.00 22.01 H new ATOM 0 HB1 ALA A 22 -5.976 1.257 -10.270 1.00 35.05 H new ATOM 0 HB2 ALA A 22 -6.852 2.437 -9.265 1.00 35.05 H new ATOM 0 HB3 ALA A 22 -5.086 2.274 -9.112 1.00 35.05 H new ATOM 342 N ALA A 23 -4.012 -0.188 -7.514 1.00 25.33 N ATOM 343 CA ALA A 23 -2.931 -1.186 -7.325 1.00 2.44 C ATOM 344 C ALA A 23 -3.444 -2.461 -6.609 1.00 20.15 C ATOM 345 O ALA A 23 -2.930 -3.567 -6.821 1.00 34.12 O ATOM 346 CB ALA A 23 -1.793 -0.558 -6.521 1.00 32.41 C ATOM 0 H ALA A 23 -3.855 0.682 -7.005 1.00 25.33 H new ATOM 0 HA ALA A 23 -2.570 -1.484 -8.309 1.00 2.44 H new ATOM 0 HB1 ALA A 23 -0.998 -1.291 -6.382 1.00 32.41 H new ATOM 0 HB2 ALA A 23 -1.401 0.305 -7.059 1.00 32.41 H new ATOM 0 HB3 ALA A 23 -2.167 -0.240 -5.548 1.00 32.41 H new ATOM 352 N LEU A 24 -4.443 -2.265 -5.732 1.00 0.44 N ATOM 353 CA LEU A 24 -5.146 -3.359 -5.027 1.00 3.21 C ATOM 354 C LEU A 24 -6.331 -3.933 -5.864 1.00 50.02 C ATOM 355 O LEU A 24 -6.697 -5.099 -5.703 1.00 31.44 O ATOM 356 CB LEU A 24 -5.634 -2.839 -3.646 1.00 20.05 C ATOM 357 CG LEU A 24 -4.521 -2.277 -2.694 1.00 51.35 C ATOM 358 CD1 LEU A 24 -5.128 -1.682 -1.396 1.00 51.44 C ATOM 359 CD2 LEU A 24 -3.452 -3.358 -2.374 1.00 23.21 C ATOM 0 H LEU A 24 -4.791 -1.338 -5.488 1.00 0.44 H new ATOM 0 HA LEU A 24 -4.448 -4.183 -4.882 1.00 3.21 H new ATOM 0 HB2 LEU A 24 -6.371 -2.054 -3.815 1.00 20.05 H new ATOM 0 HB3 LEU A 24 -6.147 -3.653 -3.133 1.00 20.05 H new ATOM 0 HG LEU A 24 -4.021 -1.465 -3.222 1.00 51.35 H new ATOM 0 HD11 LEU A 24 -4.328 -1.302 -0.761 1.00 51.44 H new ATOM 0 HD12 LEU A 24 -5.806 -0.867 -1.651 1.00 51.44 H new ATOM 0 HD13 LEU A 24 -5.678 -2.458 -0.863 1.00 51.44 H new ATOM 0 HD21 LEU A 24 -2.695 -2.937 -1.712 1.00 23.21 H new ATOM 0 HD22 LEU A 24 -3.929 -4.208 -1.885 1.00 23.21 H new ATOM 0 HD23 LEU A 24 -2.981 -3.689 -3.300 1.00 23.21 H new ATOM 371 N GLN A 25 -6.919 -3.100 -6.757 1.00 51.34 N ATOM 372 CA GLN A 25 -8.101 -3.485 -7.598 1.00 34.22 C ATOM 373 C GLN A 25 -7.703 -4.112 -8.953 1.00 65.15 C ATOM 374 O GLN A 25 -8.530 -4.786 -9.579 1.00 73.14 O ATOM 375 CB GLN A 25 -9.022 -2.256 -7.859 1.00 73.54 C ATOM 376 CG GLN A 25 -9.782 -1.746 -6.621 1.00 15.50 C ATOM 377 CD GLN A 25 -10.751 -0.582 -6.900 1.00 62.32 C ATOM 378 OE1 GLN A 25 -11.780 -0.452 -6.242 1.00 22.24 O ATOM 379 NE2 GLN A 25 -10.422 0.292 -7.836 1.00 53.15 N ATOM 0 H GLN A 25 -6.597 -2.146 -6.921 1.00 51.34 H new ATOM 0 HA GLN A 25 -8.638 -4.241 -7.025 1.00 34.22 H new ATOM 0 HB2 GLN A 25 -8.415 -1.442 -8.256 1.00 73.54 H new ATOM 0 HB3 GLN A 25 -9.746 -2.519 -8.630 1.00 73.54 H new ATOM 0 HG2 GLN A 25 -10.344 -2.574 -6.189 1.00 15.50 H new ATOM 0 HG3 GLN A 25 -9.058 -1.427 -5.872 1.00 15.50 H new ATOM 0 HE21 GLN A 25 -9.563 0.167 -8.372 1.00 53.15 H new ATOM 0 HE22 GLN A 25 -11.027 1.092 -8.022 1.00 53.15 H new ATOM 388 N THR A 26 -6.448 -3.887 -9.398 1.00 21.43 N ATOM 389 CA THR A 26 -5.929 -4.416 -10.700 1.00 24.13 C ATOM 390 C THR A 26 -5.975 -5.964 -10.760 1.00 43.45 C ATOM 391 O THR A 26 -5.922 -6.567 -11.834 1.00 63.14 O ATOM 392 CB THR A 26 -4.463 -3.932 -10.989 1.00 20.23 C ATOM 393 OG1 THR A 26 -4.043 -4.340 -12.304 1.00 51.35 O ATOM 394 CG2 THR A 26 -3.453 -4.456 -9.945 1.00 50.12 C ATOM 0 H THR A 26 -5.763 -3.339 -8.878 1.00 21.43 H new ATOM 0 HA THR A 26 -6.591 -4.015 -11.468 1.00 24.13 H new ATOM 0 HB THR A 26 -4.478 -2.844 -10.927 1.00 20.23 H new ATOM 0 HG1 THR A 26 -3.128 -4.028 -12.467 1.00 51.35 H new ATOM 0 HG21 THR A 26 -2.455 -4.093 -10.190 1.00 50.12 H new ATOM 0 HG22 THR A 26 -3.736 -4.099 -8.954 1.00 50.12 H new ATOM 0 HG23 THR A 26 -3.455 -5.546 -9.952 1.00 50.12 H new ATOM 402 N ASP A 27 -6.055 -6.575 -9.574 1.00 33.21 N ATOM 403 CA ASP A 27 -6.255 -8.012 -9.390 1.00 51.20 C ATOM 404 C ASP A 27 -7.285 -8.228 -8.248 1.00 41.31 C ATOM 405 O ASP A 27 -7.376 -7.411 -7.323 1.00 70.20 O ATOM 406 CB ASP A 27 -4.887 -8.668 -9.075 1.00 62.15 C ATOM 407 CG ASP A 27 -4.951 -10.196 -8.975 1.00 33.20 C ATOM 408 OD1 ASP A 27 -5.186 -10.852 -10.014 1.00 22.35 O ATOM 409 OD2 ASP A 27 -4.777 -10.745 -7.871 1.00 52.31 O ATOM 0 H ASP A 27 -5.980 -6.068 -8.692 1.00 33.21 H new ATOM 0 HA ASP A 27 -6.651 -8.478 -10.292 1.00 51.20 H new ATOM 0 HB2 ASP A 27 -4.173 -8.392 -9.851 1.00 62.15 H new ATOM 0 HB3 ASP A 27 -4.508 -8.266 -8.136 1.00 62.15 H new ATOM 414 N HIS A 28 -8.046 -9.335 -8.307 1.00 13.25 N ATOM 415 CA HIS A 28 -9.122 -9.642 -7.323 1.00 52.10 C ATOM 416 C HIS A 28 -8.570 -10.365 -6.060 1.00 24.42 C ATOM 417 O HIS A 28 -9.304 -11.077 -5.371 1.00 2.11 O ATOM 418 CB HIS A 28 -10.232 -10.481 -8.021 1.00 14.43 C ATOM 419 CG HIS A 28 -11.051 -9.725 -9.047 1.00 43.13 C ATOM 420 ND1 HIS A 28 -12.310 -10.126 -9.440 1.00 53.31 N ATOM 421 CD2 HIS A 28 -10.798 -8.589 -9.755 1.00 23.25 C ATOM 422 CE1 HIS A 28 -12.786 -9.283 -10.331 1.00 54.30 C ATOM 423 NE2 HIS A 28 -11.893 -8.344 -10.540 1.00 71.10 N ATOM 0 H HIS A 28 -7.940 -10.045 -9.032 1.00 13.25 H new ATOM 0 HA HIS A 28 -9.550 -8.703 -6.973 1.00 52.10 H new ATOM 0 HB2 HIS A 28 -9.767 -11.338 -8.508 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -10.904 -10.874 -7.258 1.00 14.43 H new ATOM 0 HD2 HIS A 28 -9.900 -7.992 -9.706 1.00 23.25 H new ATOM 0 HE1 HIS A 28 -13.751 -9.352 -10.811 1.00 54.30 H new ATOM 0 HE2 HIS A 28 -11.998 -7.559 -11.183 1.00 71.10 H new ATOM 432 N ASP A 29 -7.283 -10.114 -5.753 1.00 21.23 N ATOM 433 CA ASP A 29 -6.575 -10.661 -4.576 1.00 14.25 C ATOM 434 C ASP A 29 -7.288 -10.284 -3.253 1.00 63.30 C ATOM 435 O ASP A 29 -7.506 -11.129 -2.379 1.00 22.14 O ATOM 436 CB ASP A 29 -5.127 -10.106 -4.580 1.00 42.04 C ATOM 437 CG ASP A 29 -4.144 -10.970 -3.786 1.00 15.44 C ATOM 438 OD1 ASP A 29 -4.096 -10.859 -2.545 1.00 71.53 O ATOM 439 OD2 ASP A 29 -3.396 -11.754 -4.413 1.00 65.34 O ATOM 0 H ASP A 29 -6.692 -9.513 -6.328 1.00 21.23 H new ATOM 0 HA ASP A 29 -6.569 -11.749 -4.638 1.00 14.25 H new ATOM 0 HB2 ASP A 29 -4.779 -10.026 -5.610 1.00 42.04 H new ATOM 0 HB3 ASP A 29 -5.131 -9.098 -4.165 1.00 42.04 H new ATOM 444 N HIS A 30 -7.660 -8.990 -3.147 1.00 41.32 N ATOM 445 CA HIS A 30 -8.378 -8.440 -1.975 1.00 14.35 C ATOM 446 C HIS A 30 -9.781 -9.080 -1.797 1.00 53.44 C ATOM 447 O HIS A 30 -10.304 -9.117 -0.691 1.00 14.34 O ATOM 448 CB HIS A 30 -8.493 -6.891 -2.086 1.00 43.41 C ATOM 449 CG HIS A 30 -9.433 -6.401 -3.162 1.00 22.02 C ATOM 450 ND1 HIS A 30 -10.690 -5.907 -2.891 1.00 23.11 N ATOM 451 CD2 HIS A 30 -9.283 -6.310 -4.508 1.00 20.33 C ATOM 452 CE1 HIS A 30 -11.271 -5.545 -4.014 1.00 40.11 C ATOM 453 NE2 HIS A 30 -10.438 -5.777 -5.007 1.00 12.43 N ATOM 0 H HIS A 30 -7.471 -8.297 -3.871 1.00 41.32 H new ATOM 0 HA HIS A 30 -7.795 -8.690 -1.089 1.00 14.35 H new ATOM 0 HB2 HIS A 30 -8.825 -6.496 -1.126 1.00 43.41 H new ATOM 0 HB3 HIS A 30 -7.501 -6.480 -2.275 1.00 43.41 H new ATOM 0 HD1 HIS A 30 -11.106 -5.833 -1.963 1.00 23.11 H new ATOM 0 HD2 HIS A 30 -8.414 -6.604 -5.078 1.00 20.33 H new ATOM 0 HE1 HIS A 30 -12.263 -5.128 -4.106 1.00 40.11 H new ATOM 462 N VAL A 31 -10.374 -9.580 -2.902 1.00 43.12 N ATOM 463 CA VAL A 31 -11.694 -10.259 -2.884 1.00 54.10 C ATOM 464 C VAL A 31 -11.573 -11.674 -2.252 1.00 31.43 C ATOM 465 O VAL A 31 -12.424 -12.079 -1.452 1.00 22.41 O ATOM 466 CB VAL A 31 -12.303 -10.374 -4.333 1.00 34.03 C ATOM 467 CG1 VAL A 31 -13.713 -11.011 -4.316 1.00 73.15 C ATOM 468 CG2 VAL A 31 -12.316 -8.998 -5.043 1.00 3.14 C ATOM 0 H VAL A 31 -9.955 -9.526 -3.831 1.00 43.12 H new ATOM 0 HA VAL A 31 -12.365 -9.651 -2.277 1.00 54.10 H new ATOM 0 HB VAL A 31 -11.657 -11.040 -4.905 1.00 34.03 H new ATOM 0 HG11 VAL A 31 -14.097 -11.072 -5.334 1.00 73.15 H new ATOM 0 HG12 VAL A 31 -13.655 -12.012 -3.890 1.00 73.15 H new ATOM 0 HG13 VAL A 31 -14.382 -10.398 -3.712 1.00 73.15 H new ATOM 0 HG21 VAL A 31 -12.741 -9.107 -6.041 1.00 3.14 H new ATOM 0 HG22 VAL A 31 -12.919 -8.297 -4.466 1.00 3.14 H new ATOM 0 HG23 VAL A 31 -11.297 -8.620 -5.123 1.00 3.14 H new ATOM 478 N ALA A 32 -10.493 -12.396 -2.622 1.00 11.25 N ATOM 479 CA ALA A 32 -10.169 -13.737 -2.058 1.00 44.54 C ATOM 480 C ALA A 32 -9.894 -13.666 -0.537 1.00 62.23 C ATOM 481 O ALA A 32 -10.311 -14.543 0.230 1.00 11.22 O ATOM 482 CB ALA A 32 -8.956 -14.337 -2.793 1.00 43.14 C ATOM 0 H ALA A 32 -9.820 -12.073 -3.317 1.00 11.25 H new ATOM 0 HA ALA A 32 -11.036 -14.381 -2.206 1.00 44.54 H new ATOM 0 HB1 ALA A 32 -8.726 -15.317 -2.375 1.00 43.14 H new ATOM 0 HB2 ALA A 32 -9.187 -14.440 -3.853 1.00 43.14 H new ATOM 0 HB3 ALA A 32 -8.095 -13.679 -2.672 1.00 43.14 H new ATOM 488 N ILE A 33 -9.177 -12.609 -0.123 1.00 10.41 N ATOM 489 CA ILE A 33 -8.905 -12.310 1.303 1.00 11.51 C ATOM 490 C ILE A 33 -10.158 -11.696 2.002 1.00 60.43 C ATOM 491 O ILE A 33 -10.312 -11.784 3.224 1.00 20.03 O ATOM 492 CB ILE A 33 -7.648 -11.356 1.408 1.00 24.32 C ATOM 493 CG1 ILE A 33 -6.397 -12.074 0.792 1.00 62.13 C ATOM 494 CG2 ILE A 33 -7.369 -10.892 2.863 1.00 11.43 C ATOM 495 CD1 ILE A 33 -5.105 -11.282 0.829 1.00 24.22 C ATOM 0 H ILE A 33 -8.766 -11.932 -0.766 1.00 10.41 H new ATOM 0 HA ILE A 33 -8.681 -13.239 1.827 1.00 11.51 H new ATOM 0 HB ILE A 33 -7.865 -10.451 0.840 1.00 24.32 H new ATOM 0 HG12 ILE A 33 -6.242 -13.014 1.322 1.00 62.13 H new ATOM 0 HG13 ILE A 33 -6.619 -12.326 -0.245 1.00 62.13 H new ATOM 0 HG21 ILE A 33 -6.496 -10.240 2.876 1.00 11.43 H new ATOM 0 HG22 ILE A 33 -8.234 -10.348 3.244 1.00 11.43 H new ATOM 0 HG23 ILE A 33 -7.182 -11.762 3.493 1.00 11.43 H new ATOM 0 HD11 ILE A 33 -4.305 -11.870 0.379 1.00 24.22 H new ATOM 0 HD12 ILE A 33 -5.231 -10.354 0.272 1.00 24.22 H new ATOM 0 HD13 ILE A 33 -4.848 -11.052 1.863 1.00 24.22 H new ATOM 507 N GLY A 34 -11.058 -11.097 1.202 1.00 54.31 N ATOM 508 CA GLY A 34 -12.299 -10.490 1.712 1.00 40.51 C ATOM 509 C GLY A 34 -12.092 -9.119 2.374 1.00 51.24 C ATOM 510 O GLY A 34 -12.863 -8.728 3.250 1.00 53.41 O ATOM 0 H GLY A 34 -10.946 -11.021 0.191 1.00 54.31 H new ATOM 0 HA2 GLY A 34 -13.005 -10.383 0.889 1.00 40.51 H new ATOM 0 HA3 GLY A 34 -12.753 -11.167 2.435 1.00 40.51 H new ATOM 514 N ALA A 35 -11.032 -8.404 1.962 1.00 73.21 N ATOM 515 CA ALA A 35 -10.702 -7.048 2.455 1.00 13.43 C ATOM 516 C ALA A 35 -11.109 -5.966 1.424 1.00 23.01 C ATOM 517 O ALA A 35 -10.779 -6.080 0.232 1.00 32.24 O ATOM 518 CB ALA A 35 -9.196 -6.977 2.752 1.00 75.33 C ATOM 0 H ALA A 35 -10.369 -8.752 1.269 1.00 73.21 H new ATOM 0 HA ALA A 35 -11.263 -6.853 3.369 1.00 13.43 H new ATOM 0 HB1 ALA A 35 -8.943 -5.981 3.116 1.00 75.33 H new ATOM 0 HB2 ALA A 35 -8.940 -7.716 3.511 1.00 75.33 H new ATOM 0 HB3 ALA A 35 -8.635 -7.183 1.840 1.00 75.33 H new ATOM 524 N ASP A 36 -11.830 -4.919 1.884 1.00 33.11 N ATOM 525 CA ASP A 36 -12.238 -3.785 1.024 1.00 4.14 C ATOM 526 C ASP A 36 -11.064 -2.793 0.815 1.00 60.12 C ATOM 527 O ASP A 36 -10.649 -2.095 1.739 1.00 70.41 O ATOM 528 CB ASP A 36 -13.475 -3.073 1.614 1.00 4.34 C ATOM 529 CG ASP A 36 -14.701 -3.993 1.676 1.00 32.32 C ATOM 530 OD1 ASP A 36 -15.297 -4.264 0.610 1.00 43.42 O ATOM 531 OD2 ASP A 36 -15.071 -4.463 2.777 1.00 73.11 O ATOM 0 H ASP A 36 -12.143 -4.836 2.851 1.00 33.11 H new ATOM 0 HA ASP A 36 -12.511 -4.180 0.046 1.00 4.14 H new ATOM 0 HB2 ASP A 36 -13.241 -2.714 2.616 1.00 4.34 H new ATOM 0 HB3 ASP A 36 -13.711 -2.197 1.009 1.00 4.34 H new ATOM 536 N CYS A 37 -10.566 -2.737 -0.427 1.00 0.01 N ATOM 537 CA CYS A 37 -9.299 -2.055 -0.798 1.00 54.05 C ATOM 538 C CYS A 37 -9.357 -0.509 -0.702 1.00 4.42 C ATOM 539 O CYS A 37 -8.338 0.133 -0.417 1.00 12.14 O ATOM 540 CB CYS A 37 -8.941 -2.470 -2.235 1.00 25.54 C ATOM 541 SG CYS A 37 -10.271 -2.167 -3.422 1.00 34.25 S ATOM 0 H CYS A 37 -11.034 -3.169 -1.224 1.00 0.01 H new ATOM 0 HA CYS A 37 -8.540 -2.365 -0.079 1.00 54.05 H new ATOM 0 HB2 CYS A 37 -8.051 -1.926 -2.551 1.00 25.54 H new ATOM 0 HB3 CYS A 37 -8.688 -3.530 -2.247 1.00 25.54 H new ATOM 0 HG CYS A 37 -11.394 -2.016 -2.786 1.00 34.25 H new ATOM 547 N GLU A 38 -10.549 0.070 -0.934 1.00 61.00 N ATOM 548 CA GLU A 38 -10.735 1.545 -1.027 1.00 55.41 C ATOM 549 C GLU A 38 -10.479 2.290 0.315 1.00 5.24 C ATOM 550 O GLU A 38 -10.038 3.447 0.315 1.00 33.33 O ATOM 551 CB GLU A 38 -12.135 1.894 -1.649 1.00 65.11 C ATOM 552 CG GLU A 38 -13.334 0.994 -1.243 1.00 51.21 C ATOM 553 CD GLU A 38 -13.707 1.056 0.246 1.00 44.44 C ATOM 554 OE1 GLU A 38 -14.406 2.006 0.655 1.00 53.41 O ATOM 555 OE2 GLU A 38 -13.276 0.172 1.013 1.00 2.41 O ATOM 0 H GLU A 38 -11.411 -0.460 -1.063 1.00 61.00 H new ATOM 0 HA GLU A 38 -9.965 1.915 -1.704 1.00 55.41 H new ATOM 0 HB2 GLU A 38 -12.378 2.922 -1.380 1.00 65.11 H new ATOM 0 HB3 GLU A 38 -12.040 1.862 -2.734 1.00 65.11 H new ATOM 0 HG2 GLU A 38 -14.204 1.282 -1.834 1.00 51.21 H new ATOM 0 HG3 GLU A 38 -13.100 -0.039 -1.502 1.00 51.21 H new ATOM 562 N ARG A 39 -10.763 1.620 1.446 1.00 21.15 N ATOM 563 CA ARG A 39 -10.460 2.150 2.799 1.00 11.22 C ATOM 564 C ARG A 39 -8.982 1.882 3.182 1.00 64.12 C ATOM 565 O ARG A 39 -8.335 2.739 3.781 1.00 23.12 O ATOM 566 CB ARG A 39 -11.423 1.551 3.873 1.00 35.43 C ATOM 567 CG ARG A 39 -11.315 0.025 4.073 1.00 62.32 C ATOM 568 CD ARG A 39 -12.246 -0.509 5.174 1.00 50.43 C ATOM 569 NE ARG A 39 -12.074 -1.960 5.385 1.00 52.53 N ATOM 570 CZ ARG A 39 -13.010 -2.876 5.246 1.00 12.34 C ATOM 571 NH1 ARG A 39 -14.201 -2.570 4.841 1.00 33.53 N ATOM 572 NH2 ARG A 39 -12.740 -4.112 5.504 1.00 20.45 N ATOM 0 H ARG A 39 -11.206 0.701 1.455 1.00 21.15 H new ATOM 0 HA ARG A 39 -10.617 3.228 2.772 1.00 11.22 H new ATOM 0 HB2 ARG A 39 -11.228 2.041 4.827 1.00 35.43 H new ATOM 0 HB3 ARG A 39 -12.448 1.793 3.594 1.00 35.43 H new ATOM 0 HG2 ARG A 39 -11.550 -0.476 3.134 1.00 62.32 H new ATOM 0 HG3 ARG A 39 -10.285 -0.230 4.322 1.00 62.32 H new ATOM 0 HD2 ARG A 39 -12.046 0.020 6.106 1.00 50.43 H new ATOM 0 HD3 ARG A 39 -13.282 -0.302 4.906 1.00 50.43 H new ATOM 0 HE ARG A 39 -11.147 -2.282 5.663 1.00 52.53 H new ATOM 0 HH11 ARG A 39 -14.432 -1.601 4.621 1.00 33.53 H new ATOM 0 HH12 ARG A 39 -14.909 -3.298 4.741 1.00 33.53 H new ATOM 0 HH21 ARG A 39 -11.805 -4.376 5.814 1.00 20.45 H new ATOM 0 HH22 ARG A 39 -13.462 -4.825 5.398 1.00 20.45 H new ATOM 586 N LEU A 40 -8.462 0.689 2.797 1.00 41.20 N ATOM 587 CA LEU A 40 -7.086 0.237 3.143 1.00 63.14 C ATOM 588 C LEU A 40 -6.012 1.192 2.585 1.00 4.52 C ATOM 589 O LEU A 40 -5.050 1.532 3.278 1.00 42.44 O ATOM 590 CB LEU A 40 -6.837 -1.196 2.601 1.00 12.00 C ATOM 591 CG LEU A 40 -7.782 -2.312 3.145 1.00 22.13 C ATOM 592 CD1 LEU A 40 -7.482 -3.674 2.480 1.00 5.14 C ATOM 593 CD2 LEU A 40 -7.718 -2.409 4.687 1.00 44.32 C ATOM 0 H LEU A 40 -8.982 0.013 2.239 1.00 41.20 H new ATOM 0 HA LEU A 40 -7.009 0.237 4.230 1.00 63.14 H new ATOM 0 HB2 LEU A 40 -6.925 -1.172 1.515 1.00 12.00 H new ATOM 0 HB3 LEU A 40 -5.809 -1.475 2.831 1.00 12.00 H new ATOM 0 HG LEU A 40 -8.802 -2.034 2.880 1.00 22.13 H new ATOM 0 HD11 LEU A 40 -8.157 -4.431 2.880 1.00 5.14 H new ATOM 0 HD12 LEU A 40 -7.626 -3.592 1.403 1.00 5.14 H new ATOM 0 HD13 LEU A 40 -6.451 -3.961 2.688 1.00 5.14 H new ATOM 0 HD21 LEU A 40 -8.389 -3.197 5.030 1.00 44.32 H new ATOM 0 HD22 LEU A 40 -6.698 -2.641 4.995 1.00 44.32 H new ATOM 0 HD23 LEU A 40 -8.021 -1.458 5.124 1.00 44.32 H new ATOM 605 N SER A 41 -6.217 1.612 1.324 1.00 51.32 N ATOM 606 CA SER A 41 -5.348 2.583 0.624 1.00 72.42 C ATOM 607 C SER A 41 -5.251 3.914 1.401 1.00 2.10 C ATOM 608 O SER A 41 -4.165 4.432 1.595 1.00 31.21 O ATOM 609 CB SER A 41 -5.898 2.869 -0.787 1.00 55.20 C ATOM 610 OG SER A 41 -7.167 3.510 -0.720 1.00 3.54 O ATOM 0 H SER A 41 -6.997 1.285 0.754 1.00 51.32 H new ATOM 0 HA SER A 41 -4.354 2.142 0.555 1.00 72.42 H new ATOM 0 HB2 SER A 41 -5.197 3.499 -1.334 1.00 55.20 H new ATOM 0 HB3 SER A 41 -5.987 1.935 -1.343 1.00 55.20 H new ATOM 0 HG SER A 41 -7.582 3.507 -1.608 1.00 3.54 H new ATOM 616 N ALA A 42 -6.422 4.422 1.843 1.00 51.42 N ATOM 617 CA ALA A 42 -6.555 5.707 2.577 1.00 53.43 C ATOM 618 C ALA A 42 -5.930 5.654 3.996 1.00 5.41 C ATOM 619 O ALA A 42 -5.442 6.670 4.503 1.00 35.43 O ATOM 620 CB ALA A 42 -8.035 6.109 2.648 1.00 31.24 C ATOM 0 H ALA A 42 -7.314 3.948 1.700 1.00 51.42 H new ATOM 0 HA ALA A 42 -5.996 6.462 2.024 1.00 53.43 H new ATOM 0 HB1 ALA A 42 -8.131 7.052 3.187 1.00 31.24 H new ATOM 0 HB2 ALA A 42 -8.429 6.226 1.638 1.00 31.24 H new ATOM 0 HB3 ALA A 42 -8.598 5.335 3.169 1.00 31.24 H new ATOM 626 N GLN A 43 -5.970 4.465 4.627 1.00 13.43 N ATOM 627 CA GLN A 43 -5.326 4.219 5.944 1.00 23.51 C ATOM 628 C GLN A 43 -3.779 4.274 5.830 1.00 42.42 C ATOM 629 O GLN A 43 -3.101 4.876 6.671 1.00 21.52 O ATOM 630 CB GLN A 43 -5.779 2.844 6.504 1.00 73.54 C ATOM 631 CG GLN A 43 -7.294 2.730 6.779 1.00 31.42 C ATOM 632 CD GLN A 43 -7.764 1.304 7.097 1.00 45.34 C ATOM 633 OE1 GLN A 43 -7.033 0.494 7.659 1.00 73.23 O ATOM 634 NE2 GLN A 43 -8.987 0.980 6.720 1.00 33.21 N ATOM 0 H GLN A 43 -6.446 3.647 4.245 1.00 13.43 H new ATOM 0 HA GLN A 43 -5.638 5.005 6.631 1.00 23.51 H new ATOM 0 HB2 GLN A 43 -5.492 2.066 5.797 1.00 73.54 H new ATOM 0 HB3 GLN A 43 -5.239 2.648 7.430 1.00 73.54 H new ATOM 0 HG2 GLN A 43 -7.551 3.381 7.614 1.00 31.42 H new ATOM 0 HG3 GLN A 43 -7.840 3.096 5.909 1.00 31.42 H new ATOM 0 HE21 GLN A 43 -9.577 1.670 6.254 1.00 33.21 H new ATOM 0 HE22 GLN A 43 -9.342 0.040 6.894 1.00 33.21 H new ATOM 643 N ILE A 44 -3.233 3.616 4.783 1.00 13.43 N ATOM 644 CA ILE A 44 -1.785 3.683 4.450 1.00 52.22 C ATOM 645 C ILE A 44 -1.401 5.116 4.006 1.00 43.12 C ATOM 646 O ILE A 44 -0.315 5.615 4.331 1.00 41.43 O ATOM 647 CB ILE A 44 -1.410 2.675 3.293 1.00 4.42 C ATOM 648 CG1 ILE A 44 -1.862 1.221 3.646 1.00 23.34 C ATOM 649 CG2 ILE A 44 0.112 2.714 2.973 1.00 11.33 C ATOM 650 CD1 ILE A 44 -1.669 0.202 2.533 1.00 15.31 C ATOM 0 H ILE A 44 -3.774 3.028 4.149 1.00 13.43 H new ATOM 0 HA ILE A 44 -1.233 3.409 5.349 1.00 52.22 H new ATOM 0 HB ILE A 44 -1.947 2.992 2.399 1.00 4.42 H new ATOM 0 HG12 ILE A 44 -1.309 0.887 4.524 1.00 23.34 H new ATOM 0 HG13 ILE A 44 -2.916 1.241 3.922 1.00 23.34 H new ATOM 0 HG21 ILE A 44 0.334 2.008 2.173 1.00 11.33 H new ATOM 0 HG22 ILE A 44 0.392 3.719 2.658 1.00 11.33 H new ATOM 0 HG23 ILE A 44 0.678 2.442 3.864 1.00 11.33 H new ATOM 0 HD11 ILE A 44 -2.011 -0.776 2.872 1.00 15.31 H new ATOM 0 HD12 ILE A 44 -2.245 0.505 1.659 1.00 15.31 H new ATOM 0 HD13 ILE A 44 -0.613 0.146 2.270 1.00 15.31 H new ATOM 662 N GLU A 45 -2.331 5.752 3.268 1.00 11.25 N ATOM 663 CA GLU A 45 -2.142 7.077 2.657 1.00 32.02 C ATOM 664 C GLU A 45 -1.915 8.148 3.737 1.00 74.13 C ATOM 665 O GLU A 45 -0.984 8.922 3.617 1.00 2.40 O ATOM 666 CB GLU A 45 -3.355 7.409 1.733 1.00 75.42 C ATOM 667 CG GLU A 45 -3.249 8.675 0.837 1.00 22.04 C ATOM 668 CD GLU A 45 -3.489 10.000 1.583 1.00 40.34 C ATOM 669 OE1 GLU A 45 -4.541 10.127 2.258 1.00 14.54 O ATOM 670 OE2 GLU A 45 -2.642 10.919 1.501 1.00 11.42 O ATOM 0 H GLU A 45 -3.249 5.351 3.078 1.00 11.25 H new ATOM 0 HA GLU A 45 -1.246 7.067 2.036 1.00 32.02 H new ATOM 0 HB2 GLU A 45 -3.528 6.551 1.084 1.00 75.42 H new ATOM 0 HB3 GLU A 45 -4.238 7.515 2.363 1.00 75.42 H new ATOM 0 HG2 GLU A 45 -2.259 8.702 0.382 1.00 22.04 H new ATOM 0 HG3 GLU A 45 -3.971 8.593 0.025 1.00 22.04 H new ATOM 677 N GLU A 46 -2.748 8.167 4.804 1.00 52.42 N ATOM 678 CA GLU A 46 -2.600 9.161 5.899 1.00 51.52 C ATOM 679 C GLU A 46 -1.301 8.927 6.715 1.00 64.14 C ATOM 680 O GLU A 46 -0.672 9.884 7.170 1.00 0.11 O ATOM 681 CB GLU A 46 -3.868 9.198 6.815 1.00 3.41 C ATOM 682 CG GLU A 46 -4.123 7.985 7.768 1.00 54.53 C ATOM 683 CD GLU A 46 -3.395 8.031 9.143 1.00 54.42 C ATOM 684 OE1 GLU A 46 -2.931 9.120 9.572 1.00 60.50 O ATOM 685 OE2 GLU A 46 -3.283 6.973 9.802 1.00 30.20 O ATOM 0 H GLU A 46 -3.522 7.514 4.932 1.00 52.42 H new ATOM 0 HA GLU A 46 -2.510 10.144 5.437 1.00 51.52 H new ATOM 0 HB2 GLU A 46 -3.810 10.097 7.428 1.00 3.41 H new ATOM 0 HB3 GLU A 46 -4.741 9.306 6.172 1.00 3.41 H new ATOM 0 HG2 GLU A 46 -5.195 7.911 7.950 1.00 54.53 H new ATOM 0 HG3 GLU A 46 -3.823 7.073 7.251 1.00 54.53 H new ATOM 692 N CYS A 47 -0.910 7.645 6.879 1.00 74.44 N ATOM 693 CA CYS A 47 0.331 7.255 7.590 1.00 24.02 C ATOM 694 C CYS A 47 1.604 7.736 6.844 1.00 14.42 C ATOM 695 O CYS A 47 2.559 8.215 7.468 1.00 20.24 O ATOM 696 CB CYS A 47 0.377 5.721 7.804 1.00 55.51 C ATOM 697 SG CYS A 47 -0.910 5.081 8.901 1.00 51.34 S ATOM 0 H CYS A 47 -1.443 6.851 6.524 1.00 74.44 H new ATOM 0 HA CYS A 47 0.316 7.748 8.562 1.00 24.02 H new ATOM 0 HB2 CYS A 47 0.290 5.229 6.836 1.00 55.51 H new ATOM 0 HB3 CYS A 47 1.352 5.452 8.212 1.00 55.51 H new ATOM 0 HG CYS A 47 -2.002 4.888 8.222 1.00 51.34 H new ATOM 703 N ILE A 48 1.603 7.607 5.502 1.00 3.03 N ATOM 704 CA ILE A 48 2.744 8.038 4.654 1.00 65.03 C ATOM 705 C ILE A 48 2.668 9.567 4.341 1.00 63.25 C ATOM 706 O ILE A 48 3.698 10.207 4.126 1.00 41.33 O ATOM 707 CB ILE A 48 2.829 7.174 3.328 1.00 2.33 C ATOM 708 CG1 ILE A 48 4.205 7.377 2.601 1.00 54.44 C ATOM 709 CG2 ILE A 48 1.643 7.469 2.374 1.00 2.32 C ATOM 710 CD1 ILE A 48 4.406 6.522 1.357 1.00 74.43 C ATOM 0 H ILE A 48 0.825 7.208 4.977 1.00 3.03 H new ATOM 0 HA ILE A 48 3.662 7.866 5.215 1.00 65.03 H new ATOM 0 HB ILE A 48 2.759 6.126 3.621 1.00 2.33 H new ATOM 0 HG12 ILE A 48 4.300 8.426 2.322 1.00 54.44 H new ATOM 0 HG13 ILE A 48 5.007 7.160 3.306 1.00 54.44 H new ATOM 0 HG21 ILE A 48 1.737 6.857 1.477 1.00 2.32 H new ATOM 0 HG22 ILE A 48 0.705 7.234 2.877 1.00 2.32 H new ATOM 0 HG23 ILE A 48 1.652 8.523 2.097 1.00 2.32 H new ATOM 0 HD11 ILE A 48 5.384 6.732 0.925 1.00 74.43 H new ATOM 0 HD12 ILE A 48 4.348 5.468 1.627 1.00 74.43 H new ATOM 0 HD13 ILE A 48 3.630 6.753 0.627 1.00 74.43 H new ATOM 722 N PHE A 49 1.438 10.138 4.377 1.00 30.51 N ATOM 723 CA PHE A 49 1.159 11.583 4.092 1.00 42.44 C ATOM 724 C PHE A 49 1.883 12.530 5.082 1.00 4.12 C ATOM 725 O PHE A 49 2.184 13.682 4.756 1.00 14.55 O ATOM 726 CB PHE A 49 -0.380 11.842 4.151 1.00 14.15 C ATOM 727 CG PHE A 49 -0.834 13.273 3.825 1.00 64.23 C ATOM 728 CD1 PHE A 49 -1.039 13.673 2.503 1.00 4.23 C ATOM 729 CD2 PHE A 49 -1.041 14.215 4.839 1.00 31.50 C ATOM 730 CE1 PHE A 49 -1.434 14.962 2.203 1.00 24.32 C ATOM 731 CE2 PHE A 49 -1.439 15.503 4.536 1.00 45.21 C ATOM 732 CZ PHE A 49 -1.633 15.878 3.219 1.00 4.31 C ATOM 0 H PHE A 49 0.597 9.609 4.607 1.00 30.51 H new ATOM 0 HA PHE A 49 1.541 11.798 3.094 1.00 42.44 H new ATOM 0 HB2 PHE A 49 -0.870 11.159 3.457 1.00 14.15 H new ATOM 0 HB3 PHE A 49 -0.733 11.589 5.151 1.00 14.15 H new ATOM 0 HD1 PHE A 49 -0.886 12.964 1.703 1.00 4.23 H new ATOM 0 HD2 PHE A 49 -0.888 13.932 5.870 1.00 31.50 H new ATOM 0 HE1 PHE A 49 -1.587 15.254 1.175 1.00 24.32 H new ATOM 0 HE2 PHE A 49 -1.599 16.218 5.329 1.00 45.21 H new ATOM 0 HZ PHE A 49 -1.940 16.887 2.984 1.00 4.31 H new ATOM 742 N ARG A 50 2.145 12.029 6.292 1.00 32.22 N ATOM 743 CA ARG A 50 2.794 12.811 7.369 1.00 21.41 C ATOM 744 C ARG A 50 4.210 13.305 6.939 1.00 60.41 C ATOM 745 O ARG A 50 4.572 14.466 7.170 1.00 34.02 O ATOM 746 CB ARG A 50 2.851 11.946 8.658 1.00 12.02 C ATOM 747 CG ARG A 50 1.487 11.312 9.034 1.00 33.23 C ATOM 748 CD ARG A 50 1.562 10.404 10.266 1.00 44.14 C ATOM 749 NE ARG A 50 0.356 9.573 10.431 1.00 51.45 N ATOM 750 CZ ARG A 50 0.265 8.538 11.240 1.00 60.12 C ATOM 751 NH1 ARG A 50 1.254 8.196 12.011 1.00 31.04 N ATOM 752 NH2 ARG A 50 -0.815 7.840 11.274 1.00 5.32 N ATOM 0 H ARG A 50 1.917 11.072 6.561 1.00 32.22 H new ATOM 0 HA ARG A 50 2.205 13.706 7.571 1.00 21.41 H new ATOM 0 HB2 ARG A 50 3.587 11.153 8.523 1.00 12.02 H new ATOM 0 HB3 ARG A 50 3.197 12.564 9.487 1.00 12.02 H new ATOM 0 HG2 ARG A 50 0.764 12.106 9.219 1.00 33.23 H new ATOM 0 HG3 ARG A 50 1.116 10.734 8.187 1.00 33.23 H new ATOM 0 HD2 ARG A 50 2.436 9.758 10.184 1.00 44.14 H new ATOM 0 HD3 ARG A 50 1.701 11.017 11.157 1.00 44.14 H new ATOM 0 HE ARG A 50 -0.467 9.817 9.879 1.00 51.45 H new ATOM 0 HH11 ARG A 50 2.121 8.733 11.997 1.00 31.04 H new ATOM 0 HH12 ARG A 50 1.163 7.391 12.630 1.00 31.04 H new ATOM 0 HH21 ARG A 50 -1.602 8.088 10.674 1.00 5.32 H new ATOM 0 HH22 ARG A 50 -0.885 7.038 11.901 1.00 5.32 H new ATOM 766 N ASP A 51 4.991 12.411 6.301 1.00 73.45 N ATOM 767 CA ASP A 51 6.313 12.755 5.711 1.00 1.23 C ATOM 768 C ASP A 51 6.180 13.199 4.225 1.00 10.31 C ATOM 769 O ASP A 51 6.592 14.296 3.835 1.00 72.15 O ATOM 770 CB ASP A 51 7.252 11.521 5.821 1.00 63.52 C ATOM 771 CG ASP A 51 8.664 11.773 5.250 1.00 63.33 C ATOM 772 OD1 ASP A 51 9.528 12.289 5.986 1.00 33.14 O ATOM 773 OD2 ASP A 51 8.912 11.460 4.063 1.00 43.40 O ATOM 0 H ASP A 51 4.730 11.433 6.177 1.00 73.45 H new ATOM 0 HA ASP A 51 6.733 13.595 6.264 1.00 1.23 H new ATOM 0 HB2 ASP A 51 7.338 11.231 6.868 1.00 63.52 H new ATOM 0 HB3 ASP A 51 6.799 10.681 5.294 1.00 63.52 H new ATOM 778 N VAL A 52 5.574 12.320 3.423 1.00 33.21 N ATOM 779 CA VAL A 52 5.569 12.408 1.942 1.00 64.12 C ATOM 780 C VAL A 52 4.502 13.373 1.378 1.00 55.12 C ATOM 781 O VAL A 52 4.666 13.877 0.271 1.00 15.13 O ATOM 782 CB VAL A 52 5.411 10.950 1.340 1.00 64.33 C ATOM 783 CG1 VAL A 52 5.215 10.924 -0.191 1.00 4.41 C ATOM 784 CG2 VAL A 52 6.629 10.082 1.716 1.00 73.13 C ATOM 0 H VAL A 52 5.063 11.512 3.779 1.00 33.21 H new ATOM 0 HA VAL A 52 6.522 12.838 1.635 1.00 64.12 H new ATOM 0 HB VAL A 52 4.500 10.544 1.780 1.00 64.33 H new ATOM 0 HG11 VAL A 52 5.115 9.892 -0.527 1.00 4.41 H new ATOM 0 HG12 VAL A 52 4.315 11.480 -0.452 1.00 4.41 H new ATOM 0 HG13 VAL A 52 6.077 11.381 -0.676 1.00 4.41 H new ATOM 0 HG21 VAL A 52 6.508 9.083 1.296 1.00 73.13 H new ATOM 0 HG22 VAL A 52 7.536 10.536 1.317 1.00 73.13 H new ATOM 0 HG23 VAL A 52 6.705 10.013 2.801 1.00 73.13 H new ATOM 794 N GLY A 53 3.477 13.696 2.181 1.00 4.24 N ATOM 795 CA GLY A 53 2.280 14.434 1.718 1.00 1.43 C ATOM 796 C GLY A 53 2.517 15.821 1.105 1.00 31.41 C ATOM 797 O GLY A 53 1.586 16.421 0.554 1.00 44.05 O ATOM 0 H GLY A 53 3.450 13.455 3.172 1.00 4.24 H new ATOM 0 HA2 GLY A 53 1.766 13.819 0.979 1.00 1.43 H new ATOM 0 HA3 GLY A 53 1.602 14.548 2.564 1.00 1.43 H new ATOM 801 N ASN A 54 3.741 16.352 1.249 1.00 34.32 N ATOM 802 CA ASN A 54 4.181 17.562 0.520 1.00 53.30 C ATOM 803 C ASN A 54 4.262 17.273 -1.011 1.00 42.13 C ATOM 804 O ASN A 54 5.136 16.530 -1.482 1.00 20.12 O ATOM 805 CB ASN A 54 5.528 18.114 1.100 1.00 41.05 C ATOM 806 CG ASN A 54 6.535 17.058 1.593 1.00 52.54 C ATOM 807 OD1 ASN A 54 6.587 15.896 0.983 1.00 34.13 O flip ATOM 808 ND2 ASN A 54 7.291 17.306 2.521 1.00 62.25 N flip ATOM 0 H ASN A 54 4.452 15.962 1.868 1.00 34.32 H new ATOM 0 HA ASN A 54 3.439 18.348 0.663 1.00 53.30 H new ATOM 0 HB2 ASN A 54 6.011 18.717 0.331 1.00 41.05 H new ATOM 0 HB3 ASN A 54 5.297 18.782 1.930 1.00 41.05 H new ATOM 0 HD21 ASN A 54 7.244 18.211 2.989 1.00 62.25 H new ATOM 0 HD22 ASN A 54 7.969 16.608 2.827 1.00 62.25 H new ATOM 815 N THR A 55 3.339 17.892 -1.771 1.00 12.21 N ATOM 816 CA THR A 55 3.051 17.549 -3.191 1.00 31.03 C ATOM 817 C THR A 55 4.074 18.136 -4.209 1.00 34.51 C ATOM 818 O THR A 55 3.826 18.116 -5.423 1.00 23.43 O ATOM 819 CB THR A 55 1.605 18.039 -3.563 1.00 23.12 C ATOM 820 OG1 THR A 55 1.539 19.475 -3.507 1.00 23.44 O ATOM 821 CG2 THR A 55 0.537 17.457 -2.610 1.00 42.43 C ATOM 0 H THR A 55 2.761 18.655 -1.419 1.00 12.21 H new ATOM 0 HA THR A 55 3.134 16.465 -3.266 1.00 31.03 H new ATOM 0 HB THR A 55 1.398 17.688 -4.574 1.00 23.12 H new ATOM 0 HG1 THR A 55 0.635 19.770 -3.742 1.00 23.44 H new ATOM 0 HG21 THR A 55 -0.448 17.821 -2.902 1.00 42.43 H new ATOM 0 HG22 THR A 55 0.553 16.369 -2.666 1.00 42.43 H new ATOM 0 HG23 THR A 55 0.751 17.771 -1.588 1.00 42.43 H new ATOM 829 N ASP A 56 5.227 18.613 -3.709 1.00 1.32 N ATOM 830 CA ASP A 56 6.267 19.281 -4.520 1.00 22.22 C ATOM 831 C ASP A 56 7.018 18.297 -5.456 1.00 4.42 C ATOM 832 O ASP A 56 7.154 18.562 -6.654 1.00 12.23 O ATOM 833 CB ASP A 56 7.270 19.990 -3.578 1.00 70.14 C ATOM 834 CG ASP A 56 6.581 20.978 -2.630 1.00 41.11 C ATOM 835 OD1 ASP A 56 6.121 20.553 -1.547 1.00 15.41 O ATOM 836 OD2 ASP A 56 6.467 22.174 -2.972 1.00 20.10 O ATOM 0 H ASP A 56 5.468 18.546 -2.720 1.00 1.32 H new ATOM 0 HA ASP A 56 5.771 20.009 -5.162 1.00 22.22 H new ATOM 0 HB2 ASP A 56 7.806 19.243 -2.993 1.00 70.14 H new ATOM 0 HB3 ASP A 56 8.012 20.520 -4.175 1.00 70.14 H new ATOM 841 N MET A 57 7.507 17.166 -4.901 1.00 15.40 N ATOM 842 CA MET A 57 8.293 16.169 -5.678 1.00 22.41 C ATOM 843 C MET A 57 7.997 14.723 -5.213 1.00 73.43 C ATOM 844 O MET A 57 7.403 13.938 -5.967 1.00 73.50 O ATOM 845 CB MET A 57 9.821 16.484 -5.580 1.00 2.44 C ATOM 846 CG MET A 57 10.723 15.719 -6.575 1.00 23.14 C ATOM 847 SD MET A 57 10.829 13.940 -6.249 1.00 11.22 S ATOM 848 CE MET A 57 11.846 13.373 -7.617 1.00 5.23 C ATOM 0 H MET A 57 7.374 16.917 -3.921 1.00 15.40 H new ATOM 0 HA MET A 57 7.989 16.243 -6.722 1.00 22.41 H new ATOM 0 HB2 MET A 57 9.964 17.553 -5.735 1.00 2.44 H new ATOM 0 HB3 MET A 57 10.156 16.261 -4.567 1.00 2.44 H new ATOM 0 HG2 MET A 57 10.344 15.872 -7.586 1.00 23.14 H new ATOM 0 HG3 MET A 57 11.726 16.145 -6.543 1.00 23.14 H new ATOM 0 HE1 MET A 57 11.991 12.295 -7.540 1.00 5.23 H new ATOM 0 HE2 MET A 57 11.351 13.606 -8.560 1.00 5.23 H new ATOM 0 HE3 MET A 57 12.814 13.873 -7.582 1.00 5.23 H new ATOM 858 N LYS A 58 8.401 14.384 -3.962 1.00 13.53 N ATOM 859 CA LYS A 58 8.373 12.983 -3.466 1.00 2.42 C ATOM 860 C LYS A 58 6.955 12.366 -3.454 1.00 2.11 C ATOM 861 O LYS A 58 6.818 11.178 -3.703 1.00 24.21 O ATOM 862 CB LYS A 58 9.029 12.840 -2.058 1.00 23.51 C ATOM 863 CG LYS A 58 8.375 13.679 -0.935 1.00 32.01 C ATOM 864 CD LYS A 58 8.774 13.214 0.490 1.00 41.25 C ATOM 865 CE LYS A 58 10.284 13.212 0.755 1.00 73.54 C ATOM 866 NZ LYS A 58 10.593 12.796 2.150 1.00 71.42 N ATOM 0 H LYS A 58 8.749 15.059 -3.280 1.00 13.53 H new ATOM 0 HA LYS A 58 8.968 12.420 -4.185 1.00 2.42 H new ATOM 0 HB2 LYS A 58 9.001 11.790 -1.767 1.00 23.51 H new ATOM 0 HB3 LYS A 58 10.079 13.122 -2.134 1.00 23.51 H new ATOM 0 HG2 LYS A 58 8.657 14.724 -1.061 1.00 32.01 H new ATOM 0 HG3 LYS A 58 7.291 13.627 -1.036 1.00 32.01 H new ATOM 0 HD2 LYS A 58 8.290 13.863 1.220 1.00 41.25 H new ATOM 0 HD3 LYS A 58 8.387 12.208 0.652 1.00 41.25 H new ATOM 0 HE2 LYS A 58 10.776 12.536 0.055 1.00 73.54 H new ATOM 0 HE3 LYS A 58 10.688 14.208 0.574 1.00 73.54 H new ATOM 0 HZ1 LYS A 58 11.399 12.139 2.146 1.00 71.42 H new ATOM 0 HZ2 LYS A 58 10.832 13.634 2.717 1.00 71.42 H new ATOM 0 HZ3 LYS A 58 9.764 12.323 2.563 1.00 71.42 H new ATOM 880 N TYR A 59 5.909 13.169 -3.182 1.00 23.42 N ATOM 881 CA TYR A 59 4.501 12.673 -3.153 1.00 61.44 C ATOM 882 C TYR A 59 4.046 12.123 -4.527 1.00 2.33 C ATOM 883 O TYR A 59 3.235 11.202 -4.598 1.00 53.43 O ATOM 884 CB TYR A 59 3.544 13.774 -2.640 1.00 33.01 C ATOM 885 CG TYR A 59 2.123 13.287 -2.268 1.00 55.13 C ATOM 886 CD1 TYR A 59 1.936 12.290 -1.299 1.00 4.21 C ATOM 887 CD2 TYR A 59 0.978 13.818 -2.868 1.00 71.23 C ATOM 888 CE1 TYR A 59 0.675 11.846 -0.953 1.00 50.23 C ATOM 889 CE2 TYR A 59 -0.286 13.374 -2.520 1.00 61.21 C ATOM 890 CZ TYR A 59 -0.431 12.393 -1.562 1.00 71.32 C ATOM 891 OH TYR A 59 -1.686 11.948 -1.224 1.00 10.35 O ATOM 0 H TYR A 59 6.002 14.164 -2.978 1.00 23.42 H new ATOM 0 HA TYR A 59 4.464 11.837 -2.455 1.00 61.44 H new ATOM 0 HB2 TYR A 59 3.991 14.243 -1.764 1.00 33.01 H new ATOM 0 HB3 TYR A 59 3.458 14.545 -3.406 1.00 33.01 H new ATOM 0 HD1 TYR A 59 2.799 11.860 -0.812 1.00 4.21 H new ATOM 0 HD2 TYR A 59 1.081 14.589 -3.617 1.00 71.23 H new ATOM 0 HE1 TYR A 59 0.557 11.073 -0.208 1.00 50.23 H new ATOM 0 HE2 TYR A 59 -1.158 13.796 -2.998 1.00 61.21 H new ATOM 0 HH TYR A 59 -1.704 11.711 -0.273 1.00 10.35 H new ATOM 901 N LYS A 60 4.584 12.705 -5.607 1.00 33.21 N ATOM 902 CA LYS A 60 4.301 12.256 -6.986 1.00 74.43 C ATOM 903 C LYS A 60 4.987 10.895 -7.296 1.00 24.52 C ATOM 904 O LYS A 60 4.342 9.961 -7.778 1.00 25.52 O ATOM 905 CB LYS A 60 4.768 13.340 -7.997 1.00 61.33 C ATOM 906 CG LYS A 60 4.154 14.743 -7.767 1.00 2.54 C ATOM 907 CD LYS A 60 2.605 14.739 -7.811 1.00 32.23 C ATOM 908 CE LYS A 60 2.003 16.140 -7.605 1.00 62.41 C ATOM 909 NZ LYS A 60 2.395 17.088 -8.683 1.00 14.51 N ATOM 0 H LYS A 60 5.225 13.497 -5.555 1.00 33.21 H new ATOM 0 HA LYS A 60 3.225 12.110 -7.082 1.00 74.43 H new ATOM 0 HB2 LYS A 60 5.854 13.420 -7.948 1.00 61.33 H new ATOM 0 HB3 LYS A 60 4.518 13.009 -9.005 1.00 61.33 H new ATOM 0 HG2 LYS A 60 4.484 15.124 -6.801 1.00 2.54 H new ATOM 0 HG3 LYS A 60 4.532 15.428 -8.526 1.00 2.54 H new ATOM 0 HD2 LYS A 60 2.274 14.343 -8.771 1.00 32.23 H new ATOM 0 HD3 LYS A 60 2.225 14.068 -7.041 1.00 32.23 H new ATOM 0 HE2 LYS A 60 0.916 16.064 -7.569 1.00 62.41 H new ATOM 0 HE3 LYS A 60 2.327 16.534 -6.642 1.00 62.41 H new ATOM 0 HZ1 LYS A 60 1.861 17.974 -8.577 1.00 14.51 H new ATOM 0 HZ2 LYS A 60 3.413 17.288 -8.616 1.00 14.51 H new ATOM 0 HZ3 LYS A 60 2.185 16.666 -9.610 1.00 14.51 H new ATOM 923 N ASN A 61 6.298 10.793 -6.978 1.00 32.42 N ATOM 924 CA ASN A 61 7.137 9.617 -7.329 1.00 73.22 C ATOM 925 C ASN A 61 6.868 8.390 -6.405 1.00 63.31 C ATOM 926 O ASN A 61 6.745 7.259 -6.892 1.00 4.32 O ATOM 927 CB ASN A 61 8.639 10.025 -7.271 1.00 33.03 C ATOM 928 CG ASN A 61 9.590 8.938 -7.785 1.00 21.14 C ATOM 929 OD1 ASN A 61 9.250 8.159 -8.670 1.00 62.15 O ATOM 930 ND2 ASN A 61 10.789 8.878 -7.241 1.00 24.20 N ATOM 0 H ASN A 61 6.805 11.519 -6.473 1.00 32.42 H new ATOM 0 HA ASN A 61 6.872 9.306 -8.340 1.00 73.22 H new ATOM 0 HB2 ASN A 61 8.784 10.931 -7.860 1.00 33.03 H new ATOM 0 HB3 ASN A 61 8.901 10.269 -6.241 1.00 33.03 H new ATOM 0 HD21 ASN A 61 11.457 8.173 -7.554 1.00 24.20 H new ATOM 0 HD22 ASN A 61 11.049 9.536 -6.507 1.00 24.20 H new ATOM 937 N ARG A 62 6.786 8.641 -5.077 1.00 52.11 N ATOM 938 CA ARG A 62 6.581 7.586 -4.037 1.00 11.41 C ATOM 939 C ARG A 62 5.305 6.760 -4.270 1.00 44.14 C ATOM 940 O ARG A 62 5.317 5.547 -4.064 1.00 53.14 O ATOM 941 CB ARG A 62 6.531 8.205 -2.606 1.00 72.03 C ATOM 942 CG ARG A 62 7.884 8.701 -2.056 1.00 25.20 C ATOM 943 CD ARG A 62 8.911 7.571 -1.875 1.00 34.23 C ATOM 944 NE ARG A 62 10.097 8.039 -1.141 1.00 42.31 N ATOM 945 CZ ARG A 62 10.297 7.905 0.156 1.00 2.35 C ATOM 946 NH1 ARG A 62 9.454 7.269 0.915 1.00 43.01 N ATOM 947 NH2 ARG A 62 11.359 8.403 0.689 1.00 62.54 N ATOM 0 H ARG A 62 6.859 9.581 -4.688 1.00 52.11 H new ATOM 0 HA ARG A 62 7.438 6.918 -4.120 1.00 11.41 H new ATOM 0 HB2 ARG A 62 5.832 9.041 -2.614 1.00 72.03 H new ATOM 0 HB3 ARG A 62 6.129 7.460 -1.919 1.00 72.03 H new ATOM 0 HG2 ARG A 62 8.293 9.450 -2.734 1.00 25.20 H new ATOM 0 HG3 ARG A 62 7.721 9.193 -1.097 1.00 25.20 H new ATOM 0 HD2 ARG A 62 8.452 6.742 -1.337 1.00 34.23 H new ATOM 0 HD3 ARG A 62 9.212 7.190 -2.851 1.00 34.23 H new ATOM 0 HE ARG A 62 10.826 8.506 -1.680 1.00 42.31 H new ATOM 0 HH11 ARG A 62 8.613 6.858 0.510 1.00 43.01 H new ATOM 0 HH12 ARG A 62 9.634 7.181 1.915 1.00 43.01 H new ATOM 0 HH21 ARG A 62 12.037 8.896 0.109 1.00 62.54 H new ATOM 0 HH22 ARG A 62 11.521 8.304 1.691 1.00 62.54 H new ATOM 961 N VAL A 63 4.216 7.436 -4.674 1.00 24.41 N ATOM 962 CA VAL A 63 2.933 6.770 -4.988 1.00 30.52 C ATOM 963 C VAL A 63 3.092 5.804 -6.185 1.00 54.30 C ATOM 964 O VAL A 63 2.642 4.671 -6.104 1.00 31.43 O ATOM 965 CB VAL A 63 1.777 7.812 -5.244 1.00 20.45 C ATOM 966 CG1 VAL A 63 0.462 7.128 -5.714 1.00 14.15 C ATOM 967 CG2 VAL A 63 1.531 8.659 -3.969 1.00 35.22 C ATOM 0 H VAL A 63 4.196 8.449 -4.792 1.00 24.41 H new ATOM 0 HA VAL A 63 2.647 6.184 -4.115 1.00 30.52 H new ATOM 0 HB VAL A 63 2.099 8.469 -6.052 1.00 20.45 H new ATOM 0 HG11 VAL A 63 -0.304 7.886 -5.877 1.00 14.15 H new ATOM 0 HG12 VAL A 63 0.644 6.590 -6.644 1.00 14.15 H new ATOM 0 HG13 VAL A 63 0.123 6.428 -4.950 1.00 14.15 H new ATOM 0 HG21 VAL A 63 0.731 9.375 -4.157 1.00 35.22 H new ATOM 0 HG22 VAL A 63 1.246 8.004 -3.146 1.00 35.22 H new ATOM 0 HG23 VAL A 63 2.443 9.195 -3.706 1.00 35.22 H new ATOM 977 N ARG A 64 3.780 6.249 -7.259 1.00 24.25 N ATOM 978 CA ARG A 64 4.056 5.402 -8.457 1.00 33.23 C ATOM 979 C ARG A 64 4.852 4.123 -8.070 1.00 63.25 C ATOM 980 O ARG A 64 4.503 3.004 -8.469 1.00 43.42 O ATOM 981 CB ARG A 64 4.846 6.208 -9.531 1.00 33.11 C ATOM 982 CG ARG A 64 4.187 7.541 -9.957 1.00 52.41 C ATOM 983 CD ARG A 64 4.945 8.260 -11.094 1.00 31.34 C ATOM 984 NE ARG A 64 6.354 8.550 -10.763 1.00 1.34 N ATOM 985 CZ ARG A 64 7.224 9.117 -11.580 1.00 5.21 C ATOM 986 NH1 ARG A 64 6.896 9.471 -12.781 1.00 63.12 N ATOM 987 NH2 ARG A 64 8.434 9.313 -11.193 1.00 12.14 N ATOM 0 H ARG A 64 4.159 7.193 -7.328 1.00 24.25 H new ATOM 0 HA ARG A 64 3.095 5.100 -8.874 1.00 33.23 H new ATOM 0 HB2 ARG A 64 5.843 6.419 -9.145 1.00 33.11 H new ATOM 0 HB3 ARG A 64 4.972 5.582 -10.415 1.00 33.11 H new ATOM 0 HG2 ARG A 64 3.164 7.346 -10.278 1.00 52.41 H new ATOM 0 HG3 ARG A 64 4.129 8.203 -9.093 1.00 52.41 H new ATOM 0 HD2 ARG A 64 4.909 7.643 -11.992 1.00 31.34 H new ATOM 0 HD3 ARG A 64 4.434 9.194 -11.328 1.00 31.34 H new ATOM 0 HE ARG A 64 6.681 8.293 -9.832 1.00 1.34 H new ATOM 0 HH11 ARG A 64 5.946 9.314 -13.117 1.00 63.12 H new ATOM 0 HH12 ARG A 64 7.588 9.907 -13.391 1.00 63.12 H new ATOM 0 HH21 ARG A 64 8.722 9.031 -10.256 1.00 12.14 H new ATOM 0 HH22 ARG A 64 9.106 9.751 -11.823 1.00 12.14 H new ATOM 1001 N SER A 65 5.914 4.325 -7.277 1.00 21.44 N ATOM 1002 CA SER A 65 6.783 3.240 -6.755 1.00 11.35 C ATOM 1003 C SER A 65 6.014 2.277 -5.808 1.00 20.41 C ATOM 1004 O SER A 65 6.251 1.064 -5.806 1.00 61.23 O ATOM 1005 CB SER A 65 7.985 3.873 -6.015 1.00 54.34 C ATOM 1006 OG SER A 65 8.851 2.899 -5.455 1.00 50.05 O ATOM 0 H SER A 65 6.204 5.254 -6.972 1.00 21.44 H new ATOM 0 HA SER A 65 7.130 2.644 -7.599 1.00 11.35 H new ATOM 0 HB2 SER A 65 8.547 4.498 -6.709 1.00 54.34 H new ATOM 0 HB3 SER A 65 7.618 4.526 -5.223 1.00 54.34 H new ATOM 0 HG SER A 65 9.595 3.346 -5.000 1.00 50.05 H new ATOM 1012 N ARG A 66 5.073 2.847 -5.032 1.00 44.33 N ATOM 1013 CA ARG A 66 4.229 2.101 -4.070 1.00 34.11 C ATOM 1014 C ARG A 66 3.240 1.167 -4.813 1.00 21.22 C ATOM 1015 O ARG A 66 3.094 -0.001 -4.451 1.00 64.24 O ATOM 1016 CB ARG A 66 3.455 3.105 -3.168 1.00 20.52 C ATOM 1017 CG ARG A 66 2.755 2.494 -1.934 1.00 10.51 C ATOM 1018 CD ARG A 66 3.748 1.946 -0.896 1.00 51.15 C ATOM 1019 NE ARG A 66 3.056 1.470 0.312 1.00 52.31 N ATOM 1020 CZ ARG A 66 3.592 1.346 1.505 1.00 12.33 C ATOM 1021 NH1 ARG A 66 4.825 1.673 1.743 1.00 42.21 N ATOM 1022 NH2 ARG A 66 2.873 0.904 2.473 1.00 33.23 N ATOM 0 H ARG A 66 4.873 3.847 -5.053 1.00 44.33 H new ATOM 0 HA ARG A 66 4.872 1.480 -3.446 1.00 34.11 H new ATOM 0 HB2 ARG A 66 4.152 3.870 -2.826 1.00 20.52 H new ATOM 0 HB3 ARG A 66 2.704 3.608 -3.777 1.00 20.52 H new ATOM 0 HG2 ARG A 66 2.128 3.252 -1.465 1.00 10.51 H new ATOM 0 HG3 ARG A 66 2.094 1.690 -2.258 1.00 10.51 H new ATOM 0 HD2 ARG A 66 4.321 1.129 -1.335 1.00 51.15 H new ATOM 0 HD3 ARG A 66 4.460 2.725 -0.625 1.00 51.15 H new ATOM 0 HE ARG A 66 2.074 1.214 0.215 1.00 52.31 H new ATOM 0 HH11 ARG A 66 5.410 2.039 0.992 1.00 42.21 H new ATOM 0 HH12 ARG A 66 5.210 1.564 2.681 1.00 42.21 H new ATOM 0 HH21 ARG A 66 1.898 0.654 2.311 1.00 33.23 H new ATOM 0 HH22 ARG A 66 3.277 0.803 3.404 1.00 33.23 H new ATOM 1036 N ILE A 67 2.589 1.723 -5.861 1.00 31.44 N ATOM 1037 CA ILE A 67 1.675 0.984 -6.778 1.00 23.13 C ATOM 1038 C ILE A 67 2.370 -0.270 -7.359 1.00 4.14 C ATOM 1039 O ILE A 67 1.786 -1.358 -7.389 1.00 50.00 O ATOM 1040 CB ILE A 67 1.203 1.916 -7.972 1.00 35.50 C ATOM 1041 CG1 ILE A 67 0.363 3.129 -7.457 1.00 70.43 C ATOM 1042 CG2 ILE A 67 0.411 1.137 -9.061 1.00 3.51 C ATOM 1043 CD1 ILE A 67 0.138 4.219 -8.495 1.00 2.42 C ATOM 0 H ILE A 67 2.682 2.710 -6.101 1.00 31.44 H new ATOM 0 HA ILE A 67 0.807 0.675 -6.196 1.00 23.13 H new ATOM 0 HB ILE A 67 2.113 2.295 -8.436 1.00 35.50 H new ATOM 0 HG12 ILE A 67 -0.605 2.766 -7.113 1.00 70.43 H new ATOM 0 HG13 ILE A 67 0.866 3.564 -6.593 1.00 70.43 H new ATOM 0 HG21 ILE A 67 0.112 1.823 -9.854 1.00 3.51 H new ATOM 0 HG22 ILE A 67 1.042 0.352 -9.478 1.00 3.51 H new ATOM 0 HG23 ILE A 67 -0.477 0.689 -8.615 1.00 3.51 H new ATOM 0 HD11 ILE A 67 -0.453 5.023 -8.056 1.00 2.42 H new ATOM 0 HD12 ILE A 67 1.100 4.613 -8.823 1.00 2.42 H new ATOM 0 HD13 ILE A 67 -0.394 3.803 -9.350 1.00 2.42 H new ATOM 1055 N SER A 68 3.633 -0.079 -7.796 1.00 73.25 N ATOM 1056 CA SER A 68 4.481 -1.155 -8.356 1.00 35.21 C ATOM 1057 C SER A 68 4.651 -2.327 -7.364 1.00 21.54 C ATOM 1058 O SER A 68 4.426 -3.479 -7.724 1.00 53.32 O ATOM 1059 CB SER A 68 5.864 -0.593 -8.758 1.00 63.41 C ATOM 1060 OG SER A 68 6.675 -1.591 -9.353 1.00 74.34 O ATOM 0 H SER A 68 4.096 0.830 -7.770 1.00 73.25 H new ATOM 0 HA SER A 68 3.978 -1.542 -9.242 1.00 35.21 H new ATOM 0 HB2 SER A 68 5.733 0.235 -9.455 1.00 63.41 H new ATOM 0 HB3 SER A 68 6.365 -0.192 -7.877 1.00 63.41 H new ATOM 0 HG SER A 68 7.542 -1.205 -9.598 1.00 74.34 H new ATOM 1066 N ASN A 69 5.005 -1.994 -6.107 1.00 13.24 N ATOM 1067 CA ASN A 69 5.186 -2.981 -5.008 1.00 45.34 C ATOM 1068 C ASN A 69 3.859 -3.691 -4.612 1.00 70.51 C ATOM 1069 O ASN A 69 3.868 -4.845 -4.165 1.00 72.42 O ATOM 1070 CB ASN A 69 5.802 -2.277 -3.767 1.00 73.33 C ATOM 1071 CG ASN A 69 7.213 -1.720 -4.001 1.00 2.20 C ATOM 1072 OD1 ASN A 69 7.577 -0.679 -3.468 1.00 31.40 O ATOM 1073 ND2 ASN A 69 8.040 -2.428 -4.758 1.00 51.34 N ATOM 0 H ASN A 69 5.176 -1.031 -5.818 1.00 13.24 H new ATOM 0 HA ASN A 69 5.862 -3.753 -5.376 1.00 45.34 H new ATOM 0 HB2 ASN A 69 5.146 -1.461 -3.462 1.00 73.33 H new ATOM 0 HB3 ASN A 69 5.835 -2.986 -2.939 1.00 73.33 H new ATOM 0 HD21 ASN A 69 8.997 -2.108 -4.905 1.00 51.34 H new ATOM 0 HD22 ASN A 69 7.719 -3.293 -5.194 1.00 51.34 H new ATOM 1080 N LEU A 70 2.729 -2.982 -4.782 1.00 5.15 N ATOM 1081 CA LEU A 70 1.375 -3.509 -4.459 1.00 2.43 C ATOM 1082 C LEU A 70 0.849 -4.510 -5.520 1.00 41.15 C ATOM 1083 O LEU A 70 -0.083 -5.261 -5.244 1.00 52.12 O ATOM 1084 CB LEU A 70 0.375 -2.330 -4.300 1.00 71.01 C ATOM 1085 CG LEU A 70 0.580 -1.406 -3.051 1.00 64.02 C ATOM 1086 CD1 LEU A 70 -0.315 -0.141 -3.119 1.00 14.20 C ATOM 1087 CD2 LEU A 70 0.333 -2.188 -1.742 1.00 73.41 C ATOM 0 H LEU A 70 2.720 -2.029 -5.146 1.00 5.15 H new ATOM 0 HA LEU A 70 1.461 -4.057 -3.521 1.00 2.43 H new ATOM 0 HB2 LEU A 70 0.431 -1.711 -5.196 1.00 71.01 H new ATOM 0 HB3 LEU A 70 -0.634 -2.741 -4.259 1.00 71.01 H new ATOM 0 HG LEU A 70 1.617 -1.071 -3.059 1.00 64.02 H new ATOM 0 HD11 LEU A 70 -0.144 0.474 -2.235 1.00 14.20 H new ATOM 0 HD12 LEU A 70 -0.068 0.432 -4.013 1.00 14.20 H new ATOM 0 HD13 LEU A 70 -1.363 -0.438 -3.157 1.00 14.20 H new ATOM 0 HD21 LEU A 70 0.481 -1.526 -0.889 1.00 73.41 H new ATOM 0 HD22 LEU A 70 -0.688 -2.569 -1.733 1.00 73.41 H new ATOM 0 HD23 LEU A 70 1.032 -3.022 -1.679 1.00 73.41 H new ATOM 1099 N LYS A 71 1.426 -4.492 -6.738 1.00 14.00 N ATOM 1100 CA LYS A 71 1.026 -5.408 -7.849 1.00 22.33 C ATOM 1101 C LYS A 71 2.207 -6.282 -8.356 1.00 42.35 C ATOM 1102 O LYS A 71 2.065 -6.996 -9.361 1.00 34.12 O ATOM 1103 CB LYS A 71 0.436 -4.578 -9.030 1.00 52.23 C ATOM 1104 CG LYS A 71 1.449 -3.612 -9.697 1.00 31.44 C ATOM 1105 CD LYS A 71 0.890 -2.903 -10.952 1.00 65.35 C ATOM 1106 CE LYS A 71 -0.372 -2.076 -10.673 1.00 74.01 C ATOM 1107 NZ LYS A 71 -0.804 -1.312 -11.870 1.00 12.43 N ATOM 0 H LYS A 71 2.178 -3.850 -6.988 1.00 14.00 H new ATOM 0 HA LYS A 71 0.270 -6.086 -7.453 1.00 22.33 H new ATOM 0 HB2 LYS A 71 0.054 -5.264 -9.786 1.00 52.23 H new ATOM 0 HB3 LYS A 71 -0.413 -4.000 -8.665 1.00 52.23 H new ATOM 0 HG2 LYS A 71 1.754 -2.859 -8.970 1.00 31.44 H new ATOM 0 HG3 LYS A 71 2.344 -4.170 -9.973 1.00 31.44 H new ATOM 0 HD2 LYS A 71 1.659 -2.250 -11.364 1.00 65.35 H new ATOM 0 HD3 LYS A 71 0.665 -3.651 -11.713 1.00 65.35 H new ATOM 0 HE2 LYS A 71 -1.177 -2.738 -10.353 1.00 74.01 H new ATOM 0 HE3 LYS A 71 -0.181 -1.386 -9.851 1.00 74.01 H new ATOM 0 HZ1 LYS A 71 -1.659 -0.766 -11.643 1.00 12.43 H new ATOM 0 HZ2 LYS A 71 -0.045 -0.663 -12.160 1.00 12.43 H new ATOM 0 HZ3 LYS A 71 -1.011 -1.972 -12.647 1.00 12.43 H new ATOM 1121 N ASP A 72 3.352 -6.241 -7.649 1.00 70.35 N ATOM 1122 CA ASP A 72 4.620 -6.845 -8.127 1.00 44.30 C ATOM 1123 C ASP A 72 4.598 -8.401 -8.117 1.00 72.34 C ATOM 1124 O ASP A 72 4.065 -9.022 -7.195 1.00 33.14 O ATOM 1125 CB ASP A 72 5.803 -6.312 -7.281 1.00 20.41 C ATOM 1126 CG ASP A 72 7.160 -6.598 -7.936 1.00 73.50 C ATOM 1127 OD1 ASP A 72 7.455 -5.984 -8.982 1.00 74.31 O ATOM 1128 OD2 ASP A 72 7.906 -7.465 -7.453 1.00 12.32 O ATOM 0 H ASP A 72 3.429 -5.793 -6.736 1.00 70.35 H new ATOM 0 HA ASP A 72 4.745 -6.549 -9.169 1.00 44.30 H new ATOM 0 HB2 ASP A 72 5.690 -5.237 -7.138 1.00 20.41 H new ATOM 0 HB3 ASP A 72 5.775 -6.770 -6.292 1.00 20.41 H new ATOM 1133 N ALA A 73 5.207 -9.010 -9.163 1.00 51.15 N ATOM 1134 CA ALA A 73 5.264 -10.485 -9.338 1.00 52.34 C ATOM 1135 C ALA A 73 6.490 -11.132 -8.632 1.00 70.41 C ATOM 1136 O ALA A 73 6.472 -12.331 -8.335 1.00 61.44 O ATOM 1137 CB ALA A 73 5.253 -10.831 -10.839 1.00 13.11 C ATOM 0 H ALA A 73 5.673 -8.494 -9.910 1.00 51.15 H new ATOM 0 HA ALA A 73 4.380 -10.904 -8.858 1.00 52.34 H new ATOM 0 HB1 ALA A 73 5.295 -11.913 -10.963 1.00 13.11 H new ATOM 0 HB2 ALA A 73 4.339 -10.449 -11.294 1.00 13.11 H new ATOM 0 HB3 ALA A 73 6.117 -10.376 -11.324 1.00 13.11 H new ATOM 1143 N LYS A 74 7.553 -10.333 -8.374 1.00 43.34 N ATOM 1144 CA LYS A 74 8.773 -10.811 -7.663 1.00 45.45 C ATOM 1145 C LYS A 74 8.547 -10.826 -6.132 1.00 14.13 C ATOM 1146 O LYS A 74 9.232 -11.557 -5.408 1.00 12.02 O ATOM 1147 CB LYS A 74 10.032 -9.959 -8.036 1.00 24.03 C ATOM 1148 CG LYS A 74 10.631 -10.242 -9.445 1.00 42.22 C ATOM 1149 CD LYS A 74 9.734 -9.802 -10.641 1.00 13.13 C ATOM 1150 CE LYS A 74 9.924 -8.327 -11.058 1.00 31.24 C ATOM 1151 NZ LYS A 74 9.721 -7.364 -9.944 1.00 4.12 N ATOM 0 H LYS A 74 7.594 -9.351 -8.647 1.00 43.34 H new ATOM 0 HA LYS A 74 8.964 -11.833 -7.990 1.00 45.45 H new ATOM 0 HB2 LYS A 74 9.767 -8.903 -7.977 1.00 24.03 H new ATOM 0 HB3 LYS A 74 10.805 -10.136 -7.288 1.00 24.03 H new ATOM 0 HG2 LYS A 74 11.592 -9.733 -9.524 1.00 42.22 H new ATOM 0 HG3 LYS A 74 10.828 -11.310 -9.532 1.00 42.22 H new ATOM 0 HD2 LYS A 74 9.948 -10.442 -11.497 1.00 13.13 H new ATOM 0 HD3 LYS A 74 8.689 -9.963 -10.377 1.00 13.13 H new ATOM 0 HE2 LYS A 74 10.929 -8.198 -11.460 1.00 31.24 H new ATOM 0 HE3 LYS A 74 9.226 -8.092 -11.862 1.00 31.24 H new ATOM 0 HZ1 LYS A 74 9.712 -6.395 -10.320 1.00 4.12 H new ATOM 0 HZ2 LYS A 74 8.814 -7.562 -9.475 1.00 4.12 H new ATOM 0 HZ3 LYS A 74 10.495 -7.461 -9.256 1.00 4.12 H new ATOM 1165 N ASN A 75 7.584 -10.010 -5.653 1.00 3.45 N ATOM 1166 CA ASN A 75 7.095 -10.081 -4.257 1.00 43.31 C ATOM 1167 C ASN A 75 5.541 -9.930 -4.210 1.00 45.13 C ATOM 1168 O ASN A 75 5.014 -8.861 -3.868 1.00 24.13 O ATOM 1169 CB ASN A 75 7.805 -9.026 -3.363 1.00 63.32 C ATOM 1170 CG ASN A 75 7.600 -9.274 -1.865 1.00 44.12 C ATOM 1171 OD1 ASN A 75 7.389 -10.397 -1.424 1.00 2.50 O ATOM 1172 ND2 ASN A 75 7.684 -8.240 -1.072 1.00 12.33 N ATOM 0 H ASN A 75 7.127 -9.291 -6.214 1.00 3.45 H new ATOM 0 HA ASN A 75 7.343 -11.063 -3.854 1.00 43.31 H new ATOM 0 HB2 ASN A 75 8.872 -9.031 -3.583 1.00 63.32 H new ATOM 0 HB3 ASN A 75 7.432 -8.034 -3.616 1.00 63.32 H new ATOM 0 HD21 ASN A 75 7.573 -8.359 -0.065 1.00 12.33 H new ATOM 0 HD22 ASN A 75 7.860 -7.313 -1.460 1.00 12.33 H new ATOM 1179 N PRO A 76 4.776 -11.014 -4.588 1.00 32.23 N ATOM 1180 CA PRO A 76 3.288 -10.994 -4.581 1.00 41.32 C ATOM 1181 C PRO A 76 2.670 -11.221 -3.177 1.00 61.14 C ATOM 1182 O PRO A 76 1.485 -10.962 -2.968 1.00 24.42 O ATOM 1183 CB PRO A 76 2.939 -12.148 -5.553 1.00 20.10 C ATOM 1184 CG PRO A 76 4.048 -13.143 -5.361 1.00 54.30 C ATOM 1185 CD PRO A 76 5.298 -12.326 -5.086 1.00 62.11 C ATOM 0 HA PRO A 76 2.885 -10.024 -4.874 1.00 41.32 H new ATOM 0 HB2 PRO A 76 1.968 -12.585 -5.320 1.00 20.10 H new ATOM 0 HB3 PRO A 76 2.892 -11.799 -6.584 1.00 20.10 H new ATOM 0 HG2 PRO A 76 3.830 -13.815 -4.531 1.00 54.30 H new ATOM 0 HG3 PRO A 76 4.174 -13.763 -6.248 1.00 54.30 H new ATOM 0 HD2 PRO A 76 5.934 -12.809 -4.344 1.00 62.11 H new ATOM 0 HD3 PRO A 76 5.898 -12.200 -5.987 1.00 62.11 H new ATOM 1193 N ASP A 77 3.475 -11.724 -2.224 1.00 44.24 N ATOM 1194 CA ASP A 77 3.030 -11.943 -0.833 1.00 31.50 C ATOM 1195 C ASP A 77 2.990 -10.620 -0.022 1.00 41.54 C ATOM 1196 O ASP A 77 2.341 -10.555 1.020 1.00 41.02 O ATOM 1197 CB ASP A 77 3.924 -13.003 -0.147 1.00 22.04 C ATOM 1198 CG ASP A 77 3.398 -13.447 1.237 1.00 71.34 C ATOM 1199 OD1 ASP A 77 2.305 -14.035 1.294 1.00 64.00 O ATOM 1200 OD2 ASP A 77 4.066 -13.191 2.264 1.00 53.33 O ATOM 0 H ASP A 77 4.445 -11.989 -2.393 1.00 44.24 H new ATOM 0 HA ASP A 77 2.008 -12.321 -0.862 1.00 31.50 H new ATOM 0 HB2 ASP A 77 4.002 -13.876 -0.795 1.00 22.04 H new ATOM 0 HB3 ASP A 77 4.930 -12.600 -0.033 1.00 22.04 H new ATOM 1205 N LEU A 78 3.674 -9.560 -0.516 1.00 24.41 N ATOM 1206 CA LEU A 78 3.700 -8.231 0.158 1.00 0.40 C ATOM 1207 C LEU A 78 2.267 -7.673 0.390 1.00 34.11 C ATOM 1208 O LEU A 78 1.908 -7.305 1.515 1.00 31.03 O ATOM 1209 CB LEU A 78 4.542 -7.224 -0.668 1.00 40.23 C ATOM 1210 CG LEU A 78 4.763 -5.819 -0.018 1.00 34.13 C ATOM 1211 CD1 LEU A 78 5.474 -5.935 1.356 1.00 54.12 C ATOM 1212 CD2 LEU A 78 5.534 -4.880 -0.976 1.00 60.35 C ATOM 0 H LEU A 78 4.217 -9.596 -1.379 1.00 24.41 H new ATOM 0 HA LEU A 78 4.163 -8.367 1.135 1.00 0.40 H new ATOM 0 HB2 LEU A 78 5.518 -7.670 -0.862 1.00 40.23 H new ATOM 0 HB3 LEU A 78 4.058 -7.083 -1.634 1.00 40.23 H new ATOM 0 HG LEU A 78 3.782 -5.378 0.161 1.00 34.13 H new ATOM 0 HD11 LEU A 78 5.612 -4.940 1.780 1.00 54.12 H new ATOM 0 HD12 LEU A 78 4.865 -6.536 2.031 1.00 54.12 H new ATOM 0 HD13 LEU A 78 6.446 -6.411 1.224 1.00 54.12 H new ATOM 0 HD21 LEU A 78 5.674 -3.910 -0.500 1.00 60.35 H new ATOM 0 HD22 LEU A 78 6.506 -5.315 -1.207 1.00 60.35 H new ATOM 0 HD23 LEU A 78 4.965 -4.753 -1.897 1.00 60.35 H new ATOM 1224 N ARG A 79 1.458 -7.653 -0.695 1.00 51.43 N ATOM 1225 CA ARG A 79 0.028 -7.259 -0.635 1.00 73.12 C ATOM 1226 C ARG A 79 -0.784 -8.197 0.303 1.00 63.51 C ATOM 1227 O ARG A 79 -1.643 -7.724 1.024 1.00 21.54 O ATOM 1228 CB ARG A 79 -0.621 -7.238 -2.053 1.00 1.35 C ATOM 1229 CG ARG A 79 -0.476 -8.566 -2.838 1.00 34.15 C ATOM 1230 CD ARG A 79 -1.533 -8.765 -3.934 1.00 5.41 C ATOM 1231 NE ARG A 79 -1.543 -7.704 -4.948 1.00 31.04 N ATOM 1232 CZ ARG A 79 -2.012 -7.829 -6.173 1.00 61.23 C ATOM 1233 NH1 ARG A 79 -2.498 -8.959 -6.603 1.00 40.32 N ATOM 1234 NH2 ARG A 79 -2.005 -6.805 -6.958 1.00 2.14 N ATOM 0 H ARG A 79 1.774 -7.907 -1.631 1.00 51.43 H new ATOM 0 HA ARG A 79 -0.002 -6.249 -0.226 1.00 73.12 H new ATOM 0 HB2 ARG A 79 -1.680 -7.003 -1.952 1.00 1.35 H new ATOM 0 HB3 ARG A 79 -0.170 -6.434 -2.635 1.00 1.35 H new ATOM 0 HG2 ARG A 79 0.514 -8.601 -3.293 1.00 34.15 H new ATOM 0 HG3 ARG A 79 -0.534 -9.398 -2.137 1.00 34.15 H new ATOM 0 HD2 ARG A 79 -1.358 -9.722 -4.425 1.00 5.41 H new ATOM 0 HD3 ARG A 79 -2.518 -8.820 -3.470 1.00 5.41 H new ATOM 0 HE ARG A 79 -1.156 -6.798 -4.683 1.00 31.04 H new ATOM 0 HH11 ARG A 79 -2.521 -9.772 -5.987 1.00 40.32 H new ATOM 0 HH12 ARG A 79 -2.855 -9.031 -7.556 1.00 40.32 H new ATOM 0 HH21 ARG A 79 -1.639 -5.912 -6.628 1.00 2.14 H new ATOM 0 HH22 ARG A 79 -2.365 -6.889 -7.909 1.00 2.14 H new ATOM 1248 N ARG A 80 -0.471 -9.518 0.291 1.00 60.54 N ATOM 1249 CA ARG A 80 -1.168 -10.541 1.125 1.00 12.44 C ATOM 1250 C ARG A 80 -1.121 -10.185 2.633 1.00 35.01 C ATOM 1251 O ARG A 80 -2.147 -10.238 3.318 1.00 13.43 O ATOM 1252 CB ARG A 80 -0.535 -11.945 0.889 1.00 20.40 C ATOM 1253 CG ARG A 80 -0.758 -12.533 -0.527 1.00 11.41 C ATOM 1254 CD ARG A 80 -2.169 -13.113 -0.710 1.00 62.11 C ATOM 1255 NE ARG A 80 -2.459 -13.406 -2.121 1.00 51.11 N ATOM 1256 CZ ARG A 80 -2.747 -14.575 -2.642 1.00 54.13 C ATOM 1257 NH1 ARG A 80 -2.698 -15.666 -1.943 1.00 35.12 N ATOM 1258 NH2 ARG A 80 -3.080 -14.636 -3.886 1.00 2.54 N ATOM 0 H ARG A 80 0.269 -9.907 -0.294 1.00 60.54 H new ATOM 0 HA ARG A 80 -2.215 -10.557 0.821 1.00 12.44 H new ATOM 0 HB2 ARG A 80 0.537 -11.880 1.074 1.00 20.40 H new ATOM 0 HB3 ARG A 80 -0.944 -12.639 1.623 1.00 20.40 H new ATOM 0 HG2 ARG A 80 -0.590 -11.754 -1.271 1.00 11.41 H new ATOM 0 HG3 ARG A 80 -0.021 -13.314 -0.712 1.00 11.41 H new ATOM 0 HD2 ARG A 80 -2.266 -14.025 -0.122 1.00 62.11 H new ATOM 0 HD3 ARG A 80 -2.905 -12.407 -0.327 1.00 62.11 H new ATOM 0 HE ARG A 80 -2.434 -12.615 -2.764 1.00 51.11 H new ATOM 0 HH11 ARG A 80 -2.430 -15.630 -0.960 1.00 35.12 H new ATOM 0 HH12 ARG A 80 -2.928 -16.560 -2.377 1.00 35.12 H new ATOM 0 HH21 ARG A 80 -3.116 -13.785 -4.447 1.00 2.54 H new ATOM 0 HH22 ARG A 80 -3.308 -15.536 -4.310 1.00 2.54 H new ATOM 1272 N ASN A 81 0.081 -9.808 3.123 1.00 35.41 N ATOM 1273 CA ASN A 81 0.294 -9.394 4.534 1.00 24.34 C ATOM 1274 C ASN A 81 -0.519 -8.121 4.895 1.00 54.03 C ATOM 1275 O ASN A 81 -1.070 -8.023 5.995 1.00 32.13 O ATOM 1276 CB ASN A 81 1.798 -9.152 4.818 1.00 34.43 C ATOM 1277 CG ASN A 81 2.655 -10.417 4.727 1.00 23.21 C ATOM 1278 OD1 ASN A 81 2.772 -11.170 5.686 1.00 65.40 O ATOM 1279 ND2 ASN A 81 3.272 -10.654 3.595 1.00 13.14 N ATOM 0 H ASN A 81 0.929 -9.781 2.557 1.00 35.41 H new ATOM 0 HA ASN A 81 -0.062 -10.212 5.160 1.00 24.34 H new ATOM 0 HB2 ASN A 81 2.178 -8.415 4.110 1.00 34.43 H new ATOM 0 HB3 ASN A 81 1.906 -8.722 5.814 1.00 34.43 H new ATOM 0 HD21 ASN A 81 3.864 -11.479 3.500 1.00 13.14 H new ATOM 0 HD22 ASN A 81 3.160 -10.013 2.809 1.00 13.14 H new ATOM 1286 N VAL A 82 -0.583 -7.158 3.963 1.00 11.44 N ATOM 1287 CA VAL A 82 -1.288 -5.871 4.186 1.00 75.25 C ATOM 1288 C VAL A 82 -2.835 -6.063 4.214 1.00 75.03 C ATOM 1289 O VAL A 82 -3.516 -5.603 5.137 1.00 61.15 O ATOM 1290 CB VAL A 82 -0.888 -4.814 3.087 1.00 20.10 C ATOM 1291 CG1 VAL A 82 -1.615 -3.462 3.296 1.00 41.41 C ATOM 1292 CG2 VAL A 82 0.650 -4.616 3.043 1.00 33.24 C ATOM 0 H VAL A 82 -0.155 -7.240 3.041 1.00 11.44 H new ATOM 0 HA VAL A 82 -0.978 -5.495 5.161 1.00 75.25 H new ATOM 0 HB VAL A 82 -1.210 -5.209 2.124 1.00 20.10 H new ATOM 0 HG11 VAL A 82 -1.312 -2.762 2.518 1.00 41.41 H new ATOM 0 HG12 VAL A 82 -2.693 -3.617 3.245 1.00 41.41 H new ATOM 0 HG13 VAL A 82 -1.353 -3.055 4.273 1.00 41.41 H new ATOM 0 HG21 VAL A 82 0.901 -3.882 2.277 1.00 33.24 H new ATOM 0 HG22 VAL A 82 0.999 -4.262 4.013 1.00 33.24 H new ATOM 0 HG23 VAL A 82 1.132 -5.565 2.808 1.00 33.24 H new ATOM 1302 N LEU A 83 -3.357 -6.770 3.189 1.00 71.23 N ATOM 1303 CA LEU A 83 -4.810 -7.032 3.000 1.00 72.03 C ATOM 1304 C LEU A 83 -5.414 -7.872 4.162 1.00 11.52 C ATOM 1305 O LEU A 83 -6.545 -7.627 4.593 1.00 61.13 O ATOM 1306 CB LEU A 83 -5.039 -7.758 1.638 1.00 1.53 C ATOM 1307 CG LEU A 83 -4.642 -6.970 0.337 1.00 51.35 C ATOM 1308 CD1 LEU A 83 -4.621 -7.895 -0.906 1.00 53.32 C ATOM 1309 CD2 LEU A 83 -5.573 -5.763 0.100 1.00 22.31 C ATOM 0 H LEU A 83 -2.778 -7.182 2.457 1.00 71.23 H new ATOM 0 HA LEU A 83 -5.322 -6.070 2.999 1.00 72.03 H new ATOM 0 HB2 LEU A 83 -4.478 -8.693 1.653 1.00 1.53 H new ATOM 0 HB3 LEU A 83 -6.094 -8.021 1.567 1.00 1.53 H new ATOM 0 HG LEU A 83 -3.632 -6.591 0.491 1.00 51.35 H new ATOM 0 HD11 LEU A 83 -4.343 -7.315 -1.786 1.00 53.32 H new ATOM 0 HD12 LEU A 83 -3.895 -8.694 -0.753 1.00 53.32 H new ATOM 0 HD13 LEU A 83 -5.610 -8.327 -1.055 1.00 53.32 H new ATOM 0 HD21 LEU A 83 -5.269 -5.242 -0.808 1.00 22.31 H new ATOM 0 HD22 LEU A 83 -6.600 -6.111 -0.008 1.00 22.31 H new ATOM 0 HD23 LEU A 83 -5.509 -5.082 0.948 1.00 22.31 H new ATOM 1321 N CYS A 84 -4.648 -8.872 4.657 1.00 51.15 N ATOM 1322 CA CYS A 84 -5.091 -9.761 5.773 1.00 13.51 C ATOM 1323 C CYS A 84 -4.839 -9.129 7.168 1.00 1.13 C ATOM 1324 O CYS A 84 -5.221 -9.711 8.188 1.00 32.31 O ATOM 1325 CB CYS A 84 -4.380 -11.132 5.694 1.00 24.10 C ATOM 1326 SG CYS A 84 -2.612 -11.078 6.083 1.00 12.11 S ATOM 0 H CYS A 84 -3.716 -9.089 4.304 1.00 51.15 H new ATOM 0 HA CYS A 84 -6.166 -9.896 5.655 1.00 13.51 H new ATOM 0 HB2 CYS A 84 -4.870 -11.822 6.380 1.00 24.10 H new ATOM 0 HB3 CYS A 84 -4.507 -11.537 4.690 1.00 24.10 H new ATOM 0 HG CYS A 84 -1.936 -10.837 4.999 1.00 12.11 H new ATOM 1332 N GLY A 85 -4.180 -7.951 7.206 1.00 11.42 N ATOM 1333 CA GLY A 85 -3.906 -7.234 8.469 1.00 73.44 C ATOM 1334 C GLY A 85 -2.725 -7.791 9.282 1.00 41.23 C ATOM 1335 O GLY A 85 -2.601 -7.492 10.475 1.00 64.23 O ATOM 0 H GLY A 85 -3.828 -7.476 6.375 1.00 11.42 H new ATOM 0 HA2 GLY A 85 -3.710 -6.186 8.241 1.00 73.44 H new ATOM 0 HA3 GLY A 85 -4.802 -7.263 9.089 1.00 73.44 H new ATOM 1339 N ALA A 86 -1.863 -8.606 8.639 1.00 24.05 N ATOM 1340 CA ALA A 86 -0.615 -9.124 9.256 1.00 1.33 C ATOM 1341 C ALA A 86 0.391 -7.973 9.516 1.00 62.24 C ATOM 1342 O ALA A 86 0.985 -7.876 10.595 1.00 74.23 O ATOM 1343 CB ALA A 86 0.017 -10.201 8.361 1.00 44.12 C ATOM 0 H ALA A 86 -2.008 -8.925 7.681 1.00 24.05 H new ATOM 0 HA ALA A 86 -0.869 -9.575 10.215 1.00 1.33 H new ATOM 0 HB1 ALA A 86 0.931 -10.571 8.827 1.00 44.12 H new ATOM 0 HB2 ALA A 86 -0.684 -11.025 8.233 1.00 44.12 H new ATOM 0 HB3 ALA A 86 0.254 -9.772 7.387 1.00 44.12 H new ATOM 1349 N ILE A 87 0.577 -7.119 8.492 1.00 72.32 N ATOM 1350 CA ILE A 87 1.305 -5.838 8.614 1.00 43.14 C ATOM 1351 C ILE A 87 0.280 -4.684 8.515 1.00 35.22 C ATOM 1352 O ILE A 87 -0.414 -4.556 7.494 1.00 24.23 O ATOM 1353 CB ILE A 87 2.405 -5.670 7.491 1.00 53.21 C ATOM 1354 CG1 ILE A 87 3.376 -6.902 7.458 1.00 1.31 C ATOM 1355 CG2 ILE A 87 3.205 -4.354 7.692 1.00 71.52 C ATOM 1356 CD1 ILE A 87 4.387 -6.880 6.318 1.00 55.30 C ATOM 0 H ILE A 87 0.225 -7.298 7.551 1.00 72.32 H new ATOM 0 HA ILE A 87 1.820 -5.822 9.575 1.00 43.14 H new ATOM 0 HB ILE A 87 1.891 -5.618 6.531 1.00 53.21 H new ATOM 0 HG12 ILE A 87 3.915 -6.949 8.404 1.00 1.31 H new ATOM 0 HG13 ILE A 87 2.783 -7.814 7.383 1.00 1.31 H new ATOM 0 HG21 ILE A 87 3.956 -4.261 6.907 1.00 71.52 H new ATOM 0 HG22 ILE A 87 2.524 -3.504 7.646 1.00 71.52 H new ATOM 0 HG23 ILE A 87 3.697 -4.372 8.664 1.00 71.52 H new ATOM 0 HD11 ILE A 87 5.016 -7.768 6.373 1.00 55.30 H new ATOM 0 HD12 ILE A 87 3.860 -6.867 5.364 1.00 55.30 H new ATOM 0 HD13 ILE A 87 5.009 -5.989 6.401 1.00 55.30 H new ATOM 1368 N THR A 88 0.186 -3.858 9.574 1.00 61.05 N ATOM 1369 CA THR A 88 -0.776 -2.730 9.634 1.00 72.24 C ATOM 1370 C THR A 88 -0.345 -1.553 8.714 1.00 4.23 C ATOM 1371 O THR A 88 0.856 -1.375 8.476 1.00 23.14 O ATOM 1372 CB THR A 88 -0.939 -2.206 11.100 1.00 75.13 C ATOM 1373 OG1 THR A 88 0.318 -1.709 11.594 1.00 22.43 O ATOM 1374 CG2 THR A 88 -1.469 -3.304 12.046 1.00 51.04 C ATOM 0 H THR A 88 0.767 -3.948 10.407 1.00 61.05 H new ATOM 0 HA THR A 88 -1.732 -3.116 9.280 1.00 72.24 H new ATOM 0 HB THR A 88 -1.670 -1.398 11.077 1.00 75.13 H new ATOM 0 HG1 THR A 88 0.245 -1.532 12.555 1.00 22.43 H new ATOM 0 HG21 THR A 88 -1.568 -2.900 13.053 1.00 51.04 H new ATOM 0 HG22 THR A 88 -2.442 -3.647 11.696 1.00 51.04 H new ATOM 0 HG23 THR A 88 -0.772 -4.142 12.058 1.00 51.04 H new ATOM 1382 N PRO A 89 -1.332 -0.760 8.159 1.00 32.42 N ATOM 1383 CA PRO A 89 -1.072 0.472 7.352 1.00 40.32 C ATOM 1384 C PRO A 89 0.033 1.413 7.912 1.00 33.24 C ATOM 1385 O PRO A 89 0.825 1.970 7.144 1.00 43.33 O ATOM 1386 CB PRO A 89 -2.450 1.167 7.370 1.00 35.02 C ATOM 1387 CG PRO A 89 -3.426 0.035 7.344 1.00 31.20 C ATOM 1388 CD PRO A 89 -2.805 -1.044 8.213 1.00 4.01 C ATOM 0 HA PRO A 89 -0.686 0.221 6.364 1.00 40.32 H new ATOM 0 HB2 PRO A 89 -2.575 1.782 8.261 1.00 35.02 H new ATOM 0 HB3 PRO A 89 -2.577 1.824 6.509 1.00 35.02 H new ATOM 0 HG2 PRO A 89 -4.397 0.343 7.732 1.00 31.20 H new ATOM 0 HG3 PRO A 89 -3.588 -0.323 6.327 1.00 31.20 H new ATOM 0 HD2 PRO A 89 -3.182 -0.998 9.235 1.00 4.01 H new ATOM 0 HD3 PRO A 89 -3.032 -2.040 7.834 1.00 4.01 H new ATOM 1396 N GLN A 90 0.069 1.558 9.249 1.00 74.11 N ATOM 1397 CA GLN A 90 1.083 2.372 9.959 1.00 0.02 C ATOM 1398 C GLN A 90 2.520 1.815 9.755 1.00 2.43 C ATOM 1399 O GLN A 90 3.442 2.560 9.406 1.00 41.14 O ATOM 1400 CB GLN A 90 0.732 2.420 11.475 1.00 3.23 C ATOM 1401 CG GLN A 90 1.654 3.312 12.337 1.00 13.41 C ATOM 1402 CD GLN A 90 1.541 4.801 11.998 1.00 43.24 C ATOM 1403 OE1 GLN A 90 0.722 5.511 12.575 1.00 20.43 O ATOM 1404 NE2 GLN A 90 2.351 5.281 11.066 1.00 40.05 N ATOM 0 H GLN A 90 -0.605 1.114 9.873 1.00 74.11 H new ATOM 0 HA GLN A 90 1.066 3.379 9.542 1.00 0.02 H new ATOM 0 HB2 GLN A 90 -0.293 2.774 11.583 1.00 3.23 H new ATOM 0 HB3 GLN A 90 0.762 1.405 11.871 1.00 3.23 H new ATOM 0 HG2 GLN A 90 1.410 3.166 13.389 1.00 13.41 H new ATOM 0 HG3 GLN A 90 2.687 2.993 12.202 1.00 13.41 H new ATOM 0 HE21 GLN A 90 3.020 4.665 10.605 1.00 40.05 H new ATOM 0 HE22 GLN A 90 2.305 6.267 10.809 1.00 40.05 H new ATOM 1413 N GLN A 91 2.668 0.487 9.934 1.00 52.15 N ATOM 1414 CA GLN A 91 3.980 -0.209 9.887 1.00 62.10 C ATOM 1415 C GLN A 91 4.516 -0.357 8.444 1.00 50.02 C ATOM 1416 O GLN A 91 5.715 -0.199 8.212 1.00 62.04 O ATOM 1417 CB GLN A 91 3.882 -1.600 10.614 1.00 31.43 C ATOM 1418 CG GLN A 91 4.382 -1.609 12.083 1.00 23.42 C ATOM 1419 CD GLN A 91 3.722 -0.581 13.022 1.00 13.44 C ATOM 1420 OE1 GLN A 91 4.352 -0.089 13.951 1.00 23.22 O ATOM 1421 NE2 GLN A 91 2.452 -0.281 12.835 1.00 0.13 N ATOM 0 H GLN A 91 1.883 -0.138 10.116 1.00 52.15 H new ATOM 0 HA GLN A 91 4.704 0.410 10.418 1.00 62.10 H new ATOM 0 HB2 GLN A 91 2.843 -1.929 10.598 1.00 31.43 H new ATOM 0 HB3 GLN A 91 4.457 -2.331 10.046 1.00 31.43 H new ATOM 0 HG2 GLN A 91 4.222 -2.605 12.495 1.00 23.42 H new ATOM 0 HG3 GLN A 91 5.458 -1.434 12.082 1.00 23.42 H new ATOM 0 HE21 GLN A 91 1.939 -0.697 12.058 1.00 0.13 H new ATOM 0 HE22 GLN A 91 1.983 0.367 13.467 1.00 0.13 H new ATOM 1430 N ILE A 92 3.622 -0.654 7.482 1.00 23.14 N ATOM 1431 CA ILE A 92 4.011 -0.834 6.060 1.00 33.45 C ATOM 1432 C ILE A 92 4.382 0.527 5.397 1.00 42.12 C ATOM 1433 O ILE A 92 5.185 0.577 4.456 1.00 30.21 O ATOM 1434 CB ILE A 92 2.878 -1.583 5.244 1.00 1.43 C ATOM 1435 CG1 ILE A 92 3.391 -2.066 3.843 1.00 14.22 C ATOM 1436 CG2 ILE A 92 1.601 -0.720 5.104 1.00 13.04 C ATOM 1437 CD1 ILE A 92 4.524 -3.088 3.891 1.00 33.13 C ATOM 0 H ILE A 92 2.625 -0.775 7.658 1.00 23.14 H new ATOM 0 HA ILE A 92 4.901 -1.462 6.039 1.00 33.45 H new ATOM 0 HB ILE A 92 2.612 -2.470 5.819 1.00 1.43 H new ATOM 0 HG12 ILE A 92 2.554 -2.499 3.295 1.00 14.22 H new ATOM 0 HG13 ILE A 92 3.728 -1.198 3.277 1.00 14.22 H new ATOM 0 HG21 ILE A 92 0.850 -1.271 4.538 1.00 13.04 H new ATOM 0 HG22 ILE A 92 1.210 -0.486 6.094 1.00 13.04 H new ATOM 0 HG23 ILE A 92 1.843 0.205 4.581 1.00 13.04 H new ATOM 0 HD11 ILE A 92 4.811 -3.361 2.876 1.00 33.13 H new ATOM 0 HD12 ILE A 92 5.382 -2.656 4.407 1.00 33.13 H new ATOM 0 HD13 ILE A 92 4.189 -3.977 4.425 1.00 33.13 H new ATOM 1449 N ALA A 93 3.787 1.631 5.905 1.00 32.25 N ATOM 1450 CA ALA A 93 4.081 3.002 5.425 1.00 45.35 C ATOM 1451 C ALA A 93 5.471 3.488 5.904 1.00 54.30 C ATOM 1452 O ALA A 93 6.246 4.027 5.110 1.00 72.54 O ATOM 1453 CB ALA A 93 2.983 3.976 5.880 1.00 20.23 C ATOM 0 H ALA A 93 3.095 1.598 6.653 1.00 32.25 H new ATOM 0 HA ALA A 93 4.099 2.975 4.335 1.00 45.35 H new ATOM 0 HB1 ALA A 93 3.214 4.978 5.520 1.00 20.23 H new ATOM 0 HB2 ALA A 93 2.023 3.657 5.475 1.00 20.23 H new ATOM 0 HB3 ALA A 93 2.933 3.985 6.969 1.00 20.23 H new ATOM 1459 N VAL A 94 5.776 3.284 7.210 1.00 40.24 N ATOM 1460 CA VAL A 94 7.078 3.685 7.808 1.00 72.43 C ATOM 1461 C VAL A 94 8.222 2.698 7.434 1.00 72.34 C ATOM 1462 O VAL A 94 9.403 3.022 7.601 1.00 74.31 O ATOM 1463 CB VAL A 94 6.982 3.851 9.373 1.00 62.11 C ATOM 1464 CG1 VAL A 94 5.925 4.917 9.765 1.00 2.53 C ATOM 1465 CG2 VAL A 94 6.705 2.499 10.076 1.00 52.24 C ATOM 0 H VAL A 94 5.137 2.843 7.872 1.00 40.24 H new ATOM 0 HA VAL A 94 7.323 4.658 7.381 1.00 72.43 H new ATOM 0 HB VAL A 94 7.953 4.205 9.720 1.00 62.11 H new ATOM 0 HG11 VAL A 94 5.884 5.007 10.851 1.00 2.53 H new ATOM 0 HG12 VAL A 94 6.200 5.879 9.332 1.00 2.53 H new ATOM 0 HG13 VAL A 94 4.947 4.616 9.389 1.00 2.53 H new ATOM 0 HG21 VAL A 94 6.646 2.654 11.153 1.00 52.24 H new ATOM 0 HG22 VAL A 94 5.762 2.088 9.716 1.00 52.24 H new ATOM 0 HG23 VAL A 94 7.513 1.801 9.854 1.00 52.24 H new ATOM 1475 N MET A 95 7.857 1.489 6.946 1.00 4.45 N ATOM 1476 CA MET A 95 8.829 0.527 6.372 1.00 30.24 C ATOM 1477 C MET A 95 9.406 1.084 5.042 1.00 43.14 C ATOM 1478 O MET A 95 8.655 1.619 4.213 1.00 41.21 O ATOM 1479 CB MET A 95 8.157 -0.857 6.111 1.00 50.01 C ATOM 1480 CG MET A 95 9.124 -1.950 5.626 1.00 2.23 C ATOM 1481 SD MET A 95 8.309 -3.408 4.930 1.00 51.31 S ATOM 1482 CE MET A 95 7.405 -4.081 6.317 1.00 34.40 C ATOM 0 H MET A 95 6.893 1.155 6.938 1.00 4.45 H new ATOM 0 HA MET A 95 9.636 0.391 7.091 1.00 30.24 H new ATOM 0 HB2 MET A 95 7.678 -1.194 7.030 1.00 50.01 H new ATOM 0 HB3 MET A 95 7.369 -0.731 5.369 1.00 50.01 H new ATOM 0 HG2 MET A 95 9.787 -1.524 4.873 1.00 2.23 H new ATOM 0 HG3 MET A 95 9.750 -2.262 6.462 1.00 2.23 H new ATOM 0 HE1 MET A 95 7.154 -5.123 6.117 1.00 34.40 H new ATOM 0 HE2 MET A 95 8.020 -4.022 7.215 1.00 34.40 H new ATOM 0 HE3 MET A 95 6.489 -3.509 6.466 1.00 34.40 H new ATOM 1492 N THR A 96 10.734 0.959 4.847 1.00 34.53 N ATOM 1493 CA THR A 96 11.408 1.430 3.611 1.00 64.25 C ATOM 1494 C THR A 96 11.130 0.476 2.424 1.00 52.31 C ATOM 1495 O THR A 96 10.866 -0.717 2.625 1.00 42.13 O ATOM 1496 CB THR A 96 12.961 1.572 3.793 1.00 51.22 C ATOM 1497 OG1 THR A 96 13.569 0.275 3.932 1.00 72.51 O ATOM 1498 CG2 THR A 96 13.327 2.435 5.020 1.00 62.11 C ATOM 0 H THR A 96 11.365 0.536 5.528 1.00 34.53 H new ATOM 0 HA THR A 96 10.993 2.415 3.399 1.00 64.25 H new ATOM 0 HB THR A 96 13.340 2.070 2.901 1.00 51.22 H new ATOM 0 HG1 THR A 96 13.396 -0.072 4.832 1.00 72.51 H new ATOM 0 HG21 THR A 96 14.411 2.505 5.105 1.00 62.11 H new ATOM 0 HG22 THR A 96 12.907 3.434 4.901 1.00 62.11 H new ATOM 0 HG23 THR A 96 12.921 1.976 5.922 1.00 62.11 H new ATOM 1506 N SER A 97 11.219 1.018 1.192 1.00 75.44 N ATOM 1507 CA SER A 97 10.976 0.262 -0.068 1.00 14.50 C ATOM 1508 C SER A 97 11.899 -0.975 -0.207 1.00 41.33 C ATOM 1509 O SER A 97 11.494 -1.993 -0.777 1.00 43.42 O ATOM 1510 CB SER A 97 11.155 1.197 -1.286 1.00 44.31 C ATOM 1511 OG SER A 97 12.472 1.734 -1.333 1.00 34.13 O ATOM 0 H SER A 97 11.462 1.996 1.035 1.00 75.44 H new ATOM 0 HA SER A 97 9.951 -0.106 -0.031 1.00 14.50 H new ATOM 0 HB2 SER A 97 10.951 0.646 -2.204 1.00 44.31 H new ATOM 0 HB3 SER A 97 10.430 2.009 -1.234 1.00 44.31 H new ATOM 0 HG SER A 97 12.559 2.320 -2.114 1.00 34.13 H new ATOM 1517 N GLU A 98 13.133 -0.865 0.331 1.00 70.53 N ATOM 1518 CA GLU A 98 14.111 -1.979 0.390 1.00 71.31 C ATOM 1519 C GLU A 98 13.548 -3.186 1.188 1.00 75.53 C ATOM 1520 O GLU A 98 13.544 -4.327 0.702 1.00 31.04 O ATOM 1521 CB GLU A 98 15.424 -1.479 1.055 1.00 52.11 C ATOM 1522 CG GLU A 98 16.529 -2.553 1.192 1.00 15.51 C ATOM 1523 CD GLU A 98 17.770 -2.047 1.946 1.00 74.20 C ATOM 1524 OE1 GLU A 98 18.641 -1.411 1.317 1.00 3.44 O ATOM 1525 OE2 GLU A 98 17.872 -2.269 3.170 1.00 5.52 O ATOM 0 H GLU A 98 13.483 0.002 0.739 1.00 70.53 H new ATOM 0 HA GLU A 98 14.311 -2.312 -0.628 1.00 71.31 H new ATOM 0 HB2 GLU A 98 15.816 -0.646 0.472 1.00 52.11 H new ATOM 0 HB3 GLU A 98 15.188 -1.091 2.046 1.00 52.11 H new ATOM 0 HG2 GLU A 98 16.123 -3.420 1.713 1.00 15.51 H new ATOM 0 HG3 GLU A 98 16.826 -2.889 0.199 1.00 15.51 H new ATOM 1532 N GLU A 99 13.055 -2.897 2.406 1.00 45.41 N ATOM 1533 CA GLU A 99 12.530 -3.919 3.338 1.00 62.13 C ATOM 1534 C GLU A 99 11.213 -4.543 2.816 1.00 21.41 C ATOM 1535 O GLU A 99 10.983 -5.746 2.990 1.00 13.00 O ATOM 1536 CB GLU A 99 12.302 -3.294 4.735 1.00 63.25 C ATOM 1537 CG GLU A 99 13.556 -2.677 5.389 1.00 22.12 C ATOM 1538 CD GLU A 99 13.233 -1.931 6.700 1.00 62.42 C ATOM 1539 OE1 GLU A 99 12.598 -0.849 6.632 1.00 73.51 O ATOM 1540 OE2 GLU A 99 13.599 -2.414 7.793 1.00 65.53 O ATOM 0 H GLU A 99 13.008 -1.947 2.775 1.00 45.41 H new ATOM 0 HA GLU A 99 13.271 -4.715 3.412 1.00 62.13 H new ATOM 0 HB2 GLU A 99 11.538 -2.521 4.650 1.00 63.25 H new ATOM 0 HB3 GLU A 99 11.906 -4.062 5.399 1.00 63.25 H new ATOM 0 HG2 GLU A 99 14.281 -3.465 5.593 1.00 22.12 H new ATOM 0 HG3 GLU A 99 14.025 -1.986 4.688 1.00 22.12 H new ATOM 1547 N MET A 100 10.360 -3.705 2.175 1.00 3.43 N ATOM 1548 CA MET A 100 9.102 -4.170 1.539 1.00 44.44 C ATOM 1549 C MET A 100 9.401 -5.172 0.389 1.00 11.21 C ATOM 1550 O MET A 100 8.698 -6.164 0.231 1.00 52.42 O ATOM 1551 CB MET A 100 8.262 -2.986 0.966 1.00 21.03 C ATOM 1552 CG MET A 100 7.800 -1.928 1.984 1.00 33.23 C ATOM 1553 SD MET A 100 6.495 -0.842 1.341 1.00 2.43 S ATOM 1554 CE MET A 100 7.187 -0.271 -0.210 1.00 73.41 C ATOM 0 H MET A 100 10.521 -2.702 2.085 1.00 3.43 H new ATOM 0 HA MET A 100 8.524 -4.662 2.321 1.00 44.44 H new ATOM 0 HB2 MET A 100 8.852 -2.487 0.197 1.00 21.03 H new ATOM 0 HB3 MET A 100 7.380 -3.397 0.475 1.00 21.03 H new ATOM 0 HG2 MET A 100 7.437 -2.430 2.881 1.00 33.23 H new ATOM 0 HG3 MET A 100 8.655 -1.321 2.282 1.00 33.23 H new ATOM 0 HE1 MET A 100 6.393 0.143 -0.832 1.00 73.41 H new ATOM 0 HE2 MET A 100 7.934 0.499 -0.014 1.00 73.41 H new ATOM 0 HE3 MET A 100 7.656 -1.107 -0.729 1.00 73.41 H new