USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 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 41 GLN : amide:sc= -0.0391 K(o=-0.039,f=-0.59) USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=-0.039,f=-0.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 15 CYS SG : rot 32:sc= 0.268 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 24 ASN : amide:sc= -0.0986 K(o=-0.099,f=-0.83!) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.141 USER MOD Single : A 30 SER OG : rot -123:sc= 0.514 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00635) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-3.7) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=-0.187) USER MOD Single : A 47 GLN : amide:sc= -0.0875 X(o=-0.088,f=-0.0058) USER MOD Single : A 55 SER OG : rot 5:sc= 0.789 USER MOD Single : A 59 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.3) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.0452 (180deg=-0.38) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.830 14.807 11.401 1.00 0.00 N ATOM 67 CA LEU A 8 6.565 14.637 12.649 1.00 0.00 C ATOM 68 C LEU A 8 6.242 13.292 13.292 1.00 0.00 C ATOM 69 O LEU A 8 5.085 12.873 13.329 1.00 0.00 O ATOM 70 CB LEU A 8 6.233 15.772 13.619 1.00 0.00 C ATOM 71 CG LEU A 8 6.304 17.188 13.045 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.630 18.178 13.981 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.751 17.589 12.793 1.00 0.00 C ATOM 0 HA LEU A 8 7.630 14.663 12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.228 15.609 14.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.916 15.710 14.466 1.00 0.00 H new ATOM 0 HG LEU A 8 5.773 17.201 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.691 19.180 13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.584 17.902 14.111 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.132 18.164 14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.783 18.599 12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.305 17.559 13.731 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.202 16.896 12.083 1.00 0.00 H new ATOM 85 N ARG A 9 7.271 12.622 13.799 1.00 0.00 N ATOM 86 CA ARG A 9 7.096 11.325 14.442 1.00 0.00 C ATOM 87 C ARG A 9 7.623 11.352 15.874 1.00 0.00 C ATOM 88 O ARG A 9 8.703 11.881 16.138 1.00 0.00 O ATOM 89 CB ARG A 9 7.813 10.235 13.644 1.00 0.00 C ATOM 90 CG ARG A 9 7.354 10.136 12.199 1.00 0.00 C ATOM 91 CD ARG A 9 5.883 9.760 12.106 1.00 0.00 C ATOM 92 NE ARG A 9 5.577 9.050 10.867 1.00 0.00 N ATOM 93 CZ ARG A 9 4.342 8.763 10.471 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.304 9.123 11.212 1.00 0.00 N ATOM 95 NH2 ARG A 9 4.144 8.114 9.330 1.00 0.00 N ATOM 0 H ARG A 9 8.235 12.955 13.777 1.00 0.00 H new ATOM 0 HA ARG A 9 6.029 11.103 14.470 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.885 10.429 13.663 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.654 9.274 14.133 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.519 11.090 11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.955 9.392 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.614 9.135 12.958 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.274 10.662 12.167 1.00 0.00 H new ATOM 0 HE ARG A 9 6.354 8.759 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.452 9.622 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.357 8.901 10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.940 7.835 8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.195 7.894 9.026 1.00 0.00 H new ATOM 109 N ARG A 10 6.853 10.780 16.794 1.00 0.00 N ATOM 110 CA ARG A 10 7.242 10.741 18.198 1.00 0.00 C ATOM 111 C ARG A 10 7.623 9.324 18.617 1.00 0.00 C ATOM 112 O ARG A 10 6.925 8.362 18.297 1.00 0.00 O ATOM 113 CB ARG A 10 6.102 11.255 19.080 1.00 0.00 C ATOM 114 CG ARG A 10 5.980 12.770 19.095 1.00 0.00 C ATOM 115 CD ARG A 10 4.607 13.213 19.576 1.00 0.00 C ATOM 116 NE ARG A 10 4.452 14.665 19.526 1.00 0.00 N ATOM 117 CZ ARG A 10 3.361 15.302 19.936 1.00 0.00 C ATOM 118 NH1 ARG A 10 2.335 14.619 20.425 1.00 0.00 N ATOM 119 NH2 ARG A 10 3.295 16.625 19.858 1.00 0.00 N ATOM 0 H ARG A 10 5.956 10.337 16.592 1.00 0.00 H new ATOM 0 HA ARG A 10 8.111 11.386 18.326 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.162 10.827 18.731 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.255 10.901 20.100 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.748 13.192 19.744 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.159 13.161 18.093 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.839 12.745 18.961 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.452 12.867 20.598 1.00 0.00 H new ATOM 0 HE ARG A 10 5.224 15.220 19.156 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.382 13.602 20.487 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.498 15.111 20.739 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.083 17.154 19.483 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.457 17.113 20.173 1.00 0.00 H new ATOM 133 N ALA A 11 8.735 9.204 19.335 1.00 0.00 N ATOM 134 CA ALA A 11 9.209 7.905 19.799 1.00 0.00 C ATOM 135 C ALA A 11 10.165 8.059 20.976 1.00 0.00 C ATOM 136 O ALA A 11 10.768 9.116 21.168 1.00 0.00 O ATOM 137 CB ALA A 11 9.884 7.153 18.662 1.00 0.00 C ATOM 0 H ALA A 11 9.325 9.990 19.608 1.00 0.00 H new ATOM 0 HA ALA A 11 8.347 7.330 20.138 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.233 6.185 19.022 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.171 7.003 17.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.732 7.731 18.296 1.00 0.00 H new ATOM 143 N THR A 12 10.300 6.997 21.765 1.00 0.00 N ATOM 144 CA THR A 12 11.182 7.014 22.925 1.00 0.00 C ATOM 145 C THR A 12 12.583 6.539 22.558 1.00 0.00 C ATOM 146 O THR A 12 12.759 5.750 21.630 1.00 0.00 O ATOM 147 CB THR A 12 10.634 6.130 24.061 1.00 0.00 C ATOM 148 OG1 THR A 12 9.962 4.990 23.513 1.00 0.00 O ATOM 149 CG2 THR A 12 9.674 6.914 24.943 1.00 0.00 C ATOM 0 H THR A 12 9.809 6.114 21.621 1.00 0.00 H new ATOM 0 HA THR A 12 11.230 8.047 23.269 1.00 0.00 H new ATOM 0 HB THR A 12 11.474 5.799 24.671 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.618 4.432 24.241 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.300 6.268 25.738 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.195 7.765 25.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.837 7.271 24.342 1.00 0.00 H new ATOM 157 N VAL A 13 13.579 7.024 23.293 1.00 0.00 N ATOM 158 CA VAL A 13 14.966 6.648 23.045 1.00 0.00 C ATOM 159 C VAL A 13 15.370 5.450 23.898 1.00 0.00 C ATOM 160 O VAL A 13 14.982 5.344 25.061 1.00 0.00 O ATOM 161 CB VAL A 13 15.925 7.817 23.335 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.362 7.414 23.041 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.530 9.043 22.525 1.00 0.00 C ATOM 0 H VAL A 13 13.451 7.678 24.065 1.00 0.00 H new ATOM 0 HA VAL A 13 15.039 6.382 21.990 1.00 0.00 H new ATOM 0 HB VAL A 13 15.853 8.070 24.393 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.025 8.253 23.252 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.638 6.567 23.669 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.454 7.134 21.992 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.218 9.860 22.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.572 8.806 21.462 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.516 9.343 22.790 1.00 0.00 H new ATOM 173 N GLU A 14 16.153 4.550 23.310 1.00 0.00 N ATOM 174 CA GLU A 14 16.610 3.359 24.017 1.00 0.00 C ATOM 175 C GLU A 14 17.712 3.707 25.013 1.00 0.00 C ATOM 176 O GLU A 14 17.534 3.570 26.224 1.00 0.00 O ATOM 177 CB GLU A 14 17.118 2.313 23.023 1.00 0.00 C ATOM 178 CG GLU A 14 17.161 0.904 23.591 1.00 0.00 C ATOM 179 CD GLU A 14 17.160 -0.161 22.511 1.00 0.00 C ATOM 180 OE1 GLU A 14 16.077 -0.447 21.960 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.244 -0.707 22.217 1.00 0.00 O ATOM 0 H GLU A 14 16.483 4.623 22.348 1.00 0.00 H new ATOM 0 HA GLU A 14 15.764 2.947 24.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.477 2.321 22.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.118 2.593 22.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.054 0.791 24.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.302 0.754 24.245 1.00 0.00 H new ATOM 188 N CYS A 15 18.850 4.156 24.495 1.00 0.00 N ATOM 189 CA CYS A 15 19.982 4.522 25.338 1.00 0.00 C ATOM 190 C CYS A 15 20.849 5.575 24.657 1.00 0.00 C ATOM 191 O CYS A 15 21.210 5.436 23.488 1.00 0.00 O ATOM 192 CB CYS A 15 20.822 3.286 25.665 1.00 0.00 C ATOM 193 SG CYS A 15 20.300 2.413 27.160 1.00 0.00 S ATOM 0 H CYS A 15 19.013 4.275 23.495 1.00 0.00 H new ATOM 0 HA CYS A 15 19.592 4.943 26.265 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.779 2.597 24.821 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.863 3.587 25.778 1.00 0.00 H new ATOM 0 HG CYS A 15 19.013 2.526 27.301 1.00 0.00 H new ATOM 199 N VAL A 16 21.180 6.630 25.395 1.00 0.00 N ATOM 200 CA VAL A 16 22.004 7.708 24.862 1.00 0.00 C ATOM 201 C VAL A 16 23.318 7.824 25.626 1.00 0.00 C ATOM 202 O VAL A 16 23.422 8.577 26.595 1.00 0.00 O ATOM 203 CB VAL A 16 21.268 9.060 24.920 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.074 10.138 24.213 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.879 8.936 24.312 1.00 0.00 C ATOM 0 H VAL A 16 20.890 6.761 26.364 1.00 0.00 H new ATOM 0 HA VAL A 16 22.212 7.461 23.821 1.00 0.00 H new ATOM 0 HB VAL A 16 21.158 9.350 25.965 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.538 11.086 24.264 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.045 10.243 24.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.218 9.859 23.169 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.373 9.900 24.361 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.964 8.623 23.271 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.303 8.195 24.867 1.00 0.00 H new ATOM 215 N LYS A 17 24.322 7.074 25.184 1.00 0.00 N ATOM 216 CA LYS A 17 25.632 7.093 25.824 1.00 0.00 C ATOM 217 C LYS A 17 26.613 7.949 25.030 1.00 0.00 C ATOM 218 O LYS A 17 27.115 8.957 25.527 1.00 0.00 O ATOM 219 CB LYS A 17 26.176 5.669 25.962 1.00 0.00 C ATOM 220 CG LYS A 17 25.306 4.766 26.820 1.00 0.00 C ATOM 221 CD LYS A 17 25.581 4.970 28.300 1.00 0.00 C ATOM 222 CE LYS A 17 24.765 4.013 29.155 1.00 0.00 C ATOM 223 NZ LYS A 17 24.507 4.566 30.514 1.00 0.00 N ATOM 0 H LYS A 17 24.253 6.445 24.384 1.00 0.00 H new ATOM 0 HA LYS A 17 25.518 7.529 26.816 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.274 5.229 24.970 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.177 5.711 26.392 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.255 4.968 26.613 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.489 3.725 26.555 1.00 0.00 H new ATOM 0 HD2 LYS A 17 26.643 4.822 28.498 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.346 5.998 28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.816 3.804 28.662 1.00 0.00 H new ATOM 0 HE3 LYS A 17 25.294 3.064 29.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 23.948 3.884 31.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 25.412 4.742 30.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.980 5.459 30.431 1.00 0.00 H new ATOM 237 N ASP A 18 26.882 7.541 23.795 1.00 0.00 N ATOM 238 CA ASP A 18 27.801 8.272 22.931 1.00 0.00 C ATOM 239 C ASP A 18 27.099 9.451 22.264 1.00 0.00 C ATOM 240 O ASP A 18 25.882 9.600 22.369 1.00 0.00 O ATOM 241 CB ASP A 18 28.384 7.341 21.866 1.00 0.00 C ATOM 242 CG ASP A 18 29.494 6.463 22.410 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.359 6.986 23.142 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.498 5.252 22.103 1.00 0.00 O ATOM 0 H ASP A 18 26.476 6.707 23.370 1.00 0.00 H new ATOM 0 HA ASP A 18 28.612 8.657 23.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.590 6.711 21.464 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.768 7.937 21.038 1.00 0.00 H new ATOM 249 N GLN A 19 27.876 10.285 21.580 1.00 0.00 N ATOM 250 CA GLN A 19 27.327 11.451 20.898 1.00 0.00 C ATOM 251 C GLN A 19 26.165 11.057 19.993 1.00 0.00 C ATOM 252 O GLN A 19 25.246 11.844 19.767 1.00 0.00 O ATOM 253 CB GLN A 19 28.415 12.146 20.077 1.00 0.00 C ATOM 254 CG GLN A 19 29.321 13.044 20.904 1.00 0.00 C ATOM 255 CD GLN A 19 30.278 13.854 20.051 1.00 0.00 C ATOM 256 OE1 GLN A 19 29.857 14.651 19.212 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.574 13.653 20.260 1.00 0.00 N ATOM 0 H GLN A 19 28.885 10.175 21.484 1.00 0.00 H new ATOM 0 HA GLN A 19 26.955 12.141 21.655 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.023 11.390 19.580 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.944 12.741 19.295 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.709 13.721 21.499 1.00 0.00 H new ATOM 0 HG3 GLN A 19 29.892 12.433 21.603 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.879 12.983 20.966 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.265 14.169 19.715 1.00 0.00 H new ATOM 266 N PHE A 20 26.213 9.833 19.476 1.00 0.00 N ATOM 267 CA PHE A 20 25.164 9.334 18.594 1.00 0.00 C ATOM 268 C PHE A 20 24.289 8.313 19.314 1.00 0.00 C ATOM 269 O PHE A 20 24.790 7.429 20.008 1.00 0.00 O ATOM 270 CB PHE A 20 25.779 8.705 17.342 1.00 0.00 C ATOM 271 CG PHE A 20 26.746 7.595 17.642 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.088 7.866 17.850 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.312 6.281 17.715 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.981 6.847 18.127 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.200 5.259 17.991 1.00 0.00 C ATOM 276 CZ PHE A 20 28.536 5.542 18.196 1.00 0.00 C ATOM 0 H PHE A 20 26.967 9.169 19.653 1.00 0.00 H new ATOM 0 HA PHE A 20 24.539 10.177 18.299 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.980 8.319 16.709 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.292 9.479 16.771 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.441 8.885 17.795 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.269 6.053 17.554 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.025 7.072 18.289 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.849 4.239 18.046 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.231 4.744 18.410 1.00 0.00 H new ATOM 286 N GLY A 21 22.977 8.441 19.142 1.00 0.00 N ATOM 287 CA GLY A 21 22.052 7.524 19.781 1.00 0.00 C ATOM 288 C GLY A 21 21.029 6.963 18.813 1.00 0.00 C ATOM 289 O GLY A 21 20.907 7.438 17.684 1.00 0.00 O ATOM 0 H GLY A 21 22.538 9.164 18.571 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.611 6.703 20.230 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.536 8.039 20.591 1.00 0.00 H new ATOM 293 N PHE A 22 20.293 5.948 19.254 1.00 0.00 N ATOM 294 CA PHE A 22 19.277 5.320 18.417 1.00 0.00 C ATOM 295 C PHE A 22 17.882 5.546 18.993 1.00 0.00 C ATOM 296 O PHE A 22 17.732 5.892 20.165 1.00 0.00 O ATOM 297 CB PHE A 22 19.551 3.820 18.286 1.00 0.00 C ATOM 298 CG PHE A 22 20.906 3.505 17.720 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.098 3.426 16.351 1.00 0.00 C ATOM 300 CD2 PHE A 22 21.988 3.288 18.559 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.344 3.136 15.828 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.236 2.997 18.041 1.00 0.00 C ATOM 303 CZ PHE A 22 23.415 2.922 16.674 1.00 0.00 C ATOM 0 H PHE A 22 20.381 5.543 20.186 1.00 0.00 H new ATOM 0 HA PHE A 22 19.321 5.778 17.429 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.459 3.355 19.268 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.787 3.374 17.649 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.265 3.593 15.684 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.854 3.347 19.629 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.480 3.077 14.758 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.071 2.828 18.705 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.390 2.697 16.267 1.00 0.00 H new ATOM 313 N ILE A 23 16.866 5.348 18.160 1.00 0.00 N ATOM 314 CA ILE A 23 15.484 5.529 18.585 1.00 0.00 C ATOM 315 C ILE A 23 14.646 4.294 18.273 1.00 0.00 C ATOM 316 O ILE A 23 14.847 3.638 17.252 1.00 0.00 O ATOM 317 CB ILE A 23 14.843 6.756 17.909 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.676 8.010 18.183 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.415 6.944 18.399 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.242 9.212 17.373 1.00 0.00 C ATOM 0 H ILE A 23 16.974 5.062 17.187 1.00 0.00 H new ATOM 0 HA ILE A 23 15.504 5.688 19.663 1.00 0.00 H new ATOM 0 HB ILE A 23 14.818 6.588 16.832 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.612 8.254 19.243 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.723 7.795 17.968 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.975 7.815 17.913 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.828 6.058 18.157 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.418 7.094 19.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.876 10.064 17.618 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.332 8.987 16.310 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.205 9.452 17.606 1.00 0.00 H new ATOM 332 N ASN A 24 13.704 3.985 19.158 1.00 0.00 N ATOM 333 CA ASN A 24 12.834 2.829 18.976 1.00 0.00 C ATOM 334 C ASN A 24 11.641 3.181 18.092 1.00 0.00 C ATOM 335 O ASN A 24 10.526 3.368 18.581 1.00 0.00 O ATOM 336 CB ASN A 24 12.345 2.314 20.331 1.00 0.00 C ATOM 337 CG ASN A 24 13.302 1.314 20.949 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.940 0.531 20.244 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.407 1.335 22.272 1.00 0.00 N ATOM 0 H ASN A 24 13.524 4.519 20.008 1.00 0.00 H new ATOM 0 HA ASN A 24 13.410 2.045 18.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.214 3.156 21.011 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.367 1.849 20.208 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.036 0.685 22.744 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.859 2.001 22.817 1.00 0.00 H new ATOM 346 N TYR A 25 11.882 3.268 16.789 1.00 0.00 N ATOM 347 CA TYR A 25 10.828 3.598 15.837 1.00 0.00 C ATOM 348 C TYR A 25 11.099 2.955 14.480 1.00 0.00 C ATOM 349 O TYR A 25 12.213 3.021 13.961 1.00 0.00 O ATOM 350 CB TYR A 25 10.711 5.115 15.681 1.00 0.00 C ATOM 351 CG TYR A 25 9.484 5.551 14.911 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.208 5.272 15.383 1.00 0.00 C ATOM 353 CD2 TYR A 25 9.602 6.243 13.712 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.085 5.668 14.683 1.00 0.00 C ATOM 355 CE2 TYR A 25 8.485 6.645 13.006 1.00 0.00 C ATOM 356 CZ TYR A 25 7.228 6.354 13.495 1.00 0.00 C ATOM 357 OH TYR A 25 6.112 6.751 12.796 1.00 0.00 O ATOM 0 H TYR A 25 12.798 3.115 16.367 1.00 0.00 H new ATOM 0 HA TYR A 25 9.887 3.205 16.223 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.691 5.573 16.670 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.600 5.490 15.174 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.092 4.736 16.313 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.584 6.471 13.325 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.100 5.442 15.064 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.595 7.184 12.077 1.00 0.00 H new ATOM 0 HH TYR A 25 5.376 6.918 13.422 1.00 0.00 H new ATOM 367 N GLU A 26 10.071 2.334 13.911 1.00 0.00 N ATOM 368 CA GLU A 26 10.197 1.679 12.614 1.00 0.00 C ATOM 369 C GLU A 26 9.632 2.559 11.502 1.00 0.00 C ATOM 370 O GLU A 26 8.440 2.866 11.484 1.00 0.00 O ATOM 371 CB GLU A 26 9.477 0.329 12.627 1.00 0.00 C ATOM 372 CG GLU A 26 9.943 -0.620 11.536 1.00 0.00 C ATOM 373 CD GLU A 26 8.908 -1.675 11.199 1.00 0.00 C ATOM 374 OE1 GLU A 26 7.787 -1.601 11.746 1.00 0.00 O ATOM 375 OE2 GLU A 26 9.217 -2.574 10.390 1.00 0.00 O ATOM 0 H GLU A 26 9.142 2.271 14.327 1.00 0.00 H new ATOM 0 HA GLU A 26 11.257 1.515 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.628 -0.144 13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.406 0.497 12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.179 -0.048 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.864 -1.109 11.854 1.00 0.00 H new ATOM 382 N VAL A 27 10.497 2.962 10.577 1.00 0.00 N ATOM 383 CA VAL A 27 10.085 3.806 9.462 1.00 0.00 C ATOM 384 C VAL A 27 10.204 3.062 8.137 1.00 0.00 C ATOM 385 O VAL A 27 10.469 3.663 7.097 1.00 0.00 O ATOM 386 CB VAL A 27 10.927 5.094 9.392 1.00 0.00 C ATOM 387 CG1 VAL A 27 10.609 6.005 10.568 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.411 4.759 9.353 1.00 0.00 C ATOM 0 H VAL A 27 11.487 2.718 10.578 1.00 0.00 H new ATOM 0 HA VAL A 27 9.042 4.071 9.634 1.00 0.00 H new ATOM 0 HB VAL A 27 10.673 5.624 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.213 6.910 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.552 6.272 10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.833 5.487 11.501 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.991 5.681 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.683 4.207 10.253 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.623 4.149 8.475 1.00 0.00 H new ATOM 398 N GLY A 28 10.004 1.748 8.182 1.00 0.00 N ATOM 399 CA GLY A 28 10.093 0.943 6.978 1.00 0.00 C ATOM 400 C GLY A 28 10.990 -0.266 7.154 1.00 0.00 C ATOM 401 O GLY A 28 10.752 -1.103 8.025 1.00 0.00 O ATOM 0 H GLY A 28 9.782 1.227 9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.095 0.612 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.472 1.557 6.161 1.00 0.00 H new ATOM 405 N ASP A 29 12.024 -0.360 6.325 1.00 0.00 N ATOM 406 CA ASP A 29 12.960 -1.476 6.392 1.00 0.00 C ATOM 407 C ASP A 29 13.686 -1.496 7.734 1.00 0.00 C ATOM 408 O ASP A 29 13.573 -2.455 8.498 1.00 0.00 O ATOM 409 CB ASP A 29 13.974 -1.388 5.251 1.00 0.00 C ATOM 410 CG ASP A 29 14.636 -2.721 4.961 1.00 0.00 C ATOM 411 OD1 ASP A 29 14.189 -3.740 5.526 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.602 -2.744 4.170 1.00 0.00 O ATOM 0 H ASP A 29 12.235 0.324 5.598 1.00 0.00 H new ATOM 0 HA ASP A 29 12.392 -2.401 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.474 -1.031 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.738 -0.653 5.504 1.00 0.00 H new ATOM 417 N SER A 30 14.432 -0.432 8.013 1.00 0.00 N ATOM 418 CA SER A 30 15.180 -0.329 9.261 1.00 0.00 C ATOM 419 C SER A 30 14.264 -0.535 10.463 1.00 0.00 C ATOM 420 O SER A 30 13.040 -0.471 10.344 1.00 0.00 O ATOM 421 CB SER A 30 15.868 1.034 9.357 1.00 0.00 C ATOM 422 OG SER A 30 16.560 1.171 10.586 1.00 0.00 O ATOM 0 H SER A 30 14.535 0.371 7.392 1.00 0.00 H new ATOM 0 HA SER A 30 15.938 -1.112 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.566 1.152 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.126 1.827 9.264 1.00 0.00 H new ATOM 0 HG SER A 30 16.228 1.961 11.062 1.00 0.00 H new ATOM 428 N LYS A 31 14.865 -0.782 11.622 1.00 0.00 N ATOM 429 CA LYS A 31 14.106 -0.996 12.848 1.00 0.00 C ATOM 430 C LYS A 31 14.303 0.163 13.819 1.00 0.00 C ATOM 431 O LYS A 31 13.390 0.529 14.560 1.00 0.00 O ATOM 432 CB LYS A 31 14.528 -2.309 13.511 1.00 0.00 C ATOM 433 CG LYS A 31 16.031 -2.449 13.681 1.00 0.00 C ATOM 434 CD LYS A 31 16.588 -3.568 12.818 1.00 0.00 C ATOM 435 CE LYS A 31 16.177 -4.935 13.343 1.00 0.00 C ATOM 436 NZ LYS A 31 16.973 -5.333 14.537 1.00 0.00 N ATOM 0 H LYS A 31 15.877 -0.839 11.738 1.00 0.00 H new ATOM 0 HA LYS A 31 13.049 -1.052 12.587 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.052 -2.382 14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.159 -3.143 12.914 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.517 -1.509 13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.263 -2.646 14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.234 -3.449 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.676 -3.500 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.118 -4.922 13.601 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.305 -5.679 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.698 -6.291 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.985 -5.321 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.792 -4.665 15.313 1.00 0.00 H new ATOM 450 N LYS A 32 15.500 0.738 13.811 1.00 0.00 N ATOM 451 CA LYS A 32 15.818 1.858 14.689 1.00 0.00 C ATOM 452 C LYS A 32 16.199 3.094 13.880 1.00 0.00 C ATOM 453 O LYS A 32 16.418 3.012 12.670 1.00 0.00 O ATOM 454 CB LYS A 32 16.960 1.483 15.636 1.00 0.00 C ATOM 455 CG LYS A 32 16.566 0.466 16.692 1.00 0.00 C ATOM 456 CD LYS A 32 17.785 -0.199 17.309 1.00 0.00 C ATOM 457 CE LYS A 32 17.509 -0.659 18.732 1.00 0.00 C ATOM 458 NZ LYS A 32 16.570 -1.814 18.770 1.00 0.00 N ATOM 0 H LYS A 32 16.267 0.447 13.205 1.00 0.00 H new ATOM 0 HA LYS A 32 14.929 2.090 15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.789 1.084 15.052 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.322 2.385 16.130 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.985 0.957 17.472 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.923 -0.293 16.246 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.082 -1.053 16.701 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.622 0.500 17.307 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.447 -0.938 19.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.091 0.168 19.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.408 -2.097 19.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.666 -1.541 18.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.980 -2.612 18.244 1.00 0.00 H new ATOM 472 N LEU A 33 16.277 4.236 14.553 1.00 0.00 N ATOM 473 CA LEU A 33 16.634 5.489 13.897 1.00 0.00 C ATOM 474 C LEU A 33 18.045 5.923 14.281 1.00 0.00 C ATOM 475 O LEU A 33 18.602 5.452 15.273 1.00 0.00 O ATOM 476 CB LEU A 33 15.633 6.584 14.266 1.00 0.00 C ATOM 477 CG LEU A 33 15.514 7.746 13.279 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.092 7.241 11.908 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.529 8.785 13.794 1.00 0.00 C ATOM 0 H LEU A 33 16.098 4.321 15.554 1.00 0.00 H new ATOM 0 HA LEU A 33 16.605 5.327 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.650 6.127 14.378 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.910 6.988 15.240 1.00 0.00 H new ATOM 0 HG LEU A 33 16.492 8.218 13.184 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.013 8.082 11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.835 6.536 11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.126 6.743 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.457 9.604 13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.548 8.326 13.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.875 9.170 14.753 1.00 0.00 H new ATOM 491 N PHE A 34 18.617 6.824 13.490 1.00 0.00 N ATOM 492 CA PHE A 34 19.963 7.323 13.748 1.00 0.00 C ATOM 493 C PHE A 34 19.984 8.849 13.762 1.00 0.00 C ATOM 494 O PHE A 34 19.489 9.496 12.840 1.00 0.00 O ATOM 495 CB PHE A 34 20.936 6.798 12.690 1.00 0.00 C ATOM 496 CG PHE A 34 22.304 7.411 12.778 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.101 7.204 13.892 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.794 8.195 11.745 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.361 7.766 13.976 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.053 8.759 11.823 1.00 0.00 C ATOM 501 CZ PHE A 34 24.837 8.546 12.940 1.00 0.00 C ATOM 0 H PHE A 34 18.170 7.224 12.665 1.00 0.00 H new ATOM 0 HA PHE A 34 20.275 6.964 14.729 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.024 5.716 12.793 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.523 6.991 11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.733 6.596 14.705 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.185 8.367 10.870 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.972 7.596 14.850 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.424 9.366 11.011 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.820 8.988 13.003 1.00 0.00 H new ATOM 511 N PHE A 35 20.561 9.417 14.817 1.00 0.00 N ATOM 512 CA PHE A 35 20.646 10.866 14.953 1.00 0.00 C ATOM 513 C PHE A 35 21.886 11.266 15.746 1.00 0.00 C ATOM 514 O PHE A 35 22.403 10.486 16.547 1.00 0.00 O ATOM 515 CB PHE A 35 19.391 11.409 15.640 1.00 0.00 C ATOM 516 CG PHE A 35 19.325 11.093 17.107 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.015 9.814 17.540 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.575 12.074 18.052 1.00 0.00 C ATOM 519 CE1 PHE A 35 18.954 9.520 18.889 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.515 11.786 19.403 1.00 0.00 C ATOM 521 CZ PHE A 35 19.205 10.508 19.822 1.00 0.00 C ATOM 0 H PHE A 35 20.976 8.896 15.589 1.00 0.00 H new ATOM 0 HA PHE A 35 20.721 11.296 13.954 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.353 12.490 15.508 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.510 10.997 15.148 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.819 9.038 16.815 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.820 13.075 17.730 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.710 8.519 19.214 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.711 12.560 20.130 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.159 10.281 20.877 1.00 0.00 H new ATOM 531 N HIS A 36 22.360 12.487 15.517 1.00 0.00 N ATOM 532 CA HIS A 36 23.540 12.991 16.210 1.00 0.00 C ATOM 533 C HIS A 36 23.165 14.107 17.181 1.00 0.00 C ATOM 534 O HIS A 36 22.074 14.672 17.101 1.00 0.00 O ATOM 535 CB HIS A 36 24.570 13.502 15.201 1.00 0.00 C ATOM 536 CG HIS A 36 25.938 13.683 15.782 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.517 14.919 15.974 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.843 12.774 16.215 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.719 14.763 16.499 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.942 13.471 16.655 1.00 0.00 N ATOM 0 H HIS A 36 21.945 13.145 14.857 1.00 0.00 H new ATOM 0 HA HIS A 36 23.975 12.170 16.779 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.628 12.802 14.367 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.228 14.454 14.795 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.723 11.701 16.215 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.403 15.558 16.757 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.792 13.058 17.039 1.00 0.00 H new ATOM 548 N VAL A 37 24.075 14.418 18.098 1.00 0.00 N ATOM 549 CA VAL A 37 23.840 15.466 19.084 1.00 0.00 C ATOM 550 C VAL A 37 23.539 16.799 18.408 1.00 0.00 C ATOM 551 O VAL A 37 22.878 17.664 18.983 1.00 0.00 O ATOM 552 CB VAL A 37 25.052 15.638 20.019 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.132 14.486 21.008 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.336 15.749 19.211 1.00 0.00 C ATOM 0 H VAL A 37 24.982 13.959 18.179 1.00 0.00 H new ATOM 0 HA VAL A 37 22.976 15.159 19.674 1.00 0.00 H new ATOM 0 HB VAL A 37 24.925 16.561 20.584 1.00 0.00 H new ATOM 0 HG11 VAL A 37 25.994 14.625 21.660 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.223 14.459 21.609 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.236 13.547 20.465 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.182 15.870 19.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.472 14.845 18.618 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.275 16.612 18.548 1.00 0.00 H new ATOM 564 N LYS A 38 24.029 16.959 17.183 1.00 0.00 N ATOM 565 CA LYS A 38 23.812 18.186 16.426 1.00 0.00 C ATOM 566 C LYS A 38 22.323 18.426 16.195 1.00 0.00 C ATOM 567 O LYS A 38 21.866 19.569 16.179 1.00 0.00 O ATOM 568 CB LYS A 38 24.542 18.117 15.083 1.00 0.00 C ATOM 569 CG LYS A 38 23.955 17.097 14.123 1.00 0.00 C ATOM 570 CD LYS A 38 25.025 16.493 13.229 1.00 0.00 C ATOM 571 CE LYS A 38 25.657 17.543 12.328 1.00 0.00 C ATOM 572 NZ LYS A 38 24.670 18.122 11.375 1.00 0.00 N ATOM 0 H LYS A 38 24.579 16.254 16.693 1.00 0.00 H new ATOM 0 HA LYS A 38 24.211 19.017 17.007 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.517 19.101 14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.590 17.875 15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.462 16.306 14.688 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.191 17.572 13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.796 16.029 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.587 15.704 12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 38 26.081 18.339 12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.480 17.096 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.172 18.662 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.126 17.355 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.022 18.754 11.887 1.00 0.00 H new ATOM 586 N GLU A 39 21.573 17.343 16.019 1.00 0.00 N ATOM 587 CA GLU A 39 20.137 17.438 15.790 1.00 0.00 C ATOM 588 C GLU A 39 19.448 18.161 16.944 1.00 0.00 C ATOM 589 O GLU A 39 18.914 19.257 16.775 1.00 0.00 O ATOM 590 CB GLU A 39 19.532 16.044 15.614 1.00 0.00 C ATOM 591 CG GLU A 39 19.641 15.507 14.197 1.00 0.00 C ATOM 592 CD GLU A 39 21.052 15.593 13.647 1.00 0.00 C ATOM 593 OE1 GLU A 39 21.898 14.770 14.055 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.310 16.483 12.811 1.00 0.00 O ATOM 0 H GLU A 39 21.936 16.390 16.031 1.00 0.00 H new ATOM 0 HA GLU A 39 19.979 18.013 14.877 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.029 15.353 16.295 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.481 16.074 15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.311 14.468 14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.967 16.066 13.548 1.00 0.00 H new ATOM 601 N VAL A 40 19.465 17.539 18.118 1.00 0.00 N ATOM 602 CA VAL A 40 18.844 18.122 19.301 1.00 0.00 C ATOM 603 C VAL A 40 19.332 19.548 19.532 1.00 0.00 C ATOM 604 O VAL A 40 20.512 19.847 19.352 1.00 0.00 O ATOM 605 CB VAL A 40 19.134 17.282 20.559 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.633 17.112 20.754 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.498 17.921 21.785 1.00 0.00 C ATOM 0 H VAL A 40 19.902 16.631 18.275 1.00 0.00 H new ATOM 0 HA VAL A 40 17.769 18.134 19.121 1.00 0.00 H new ATOM 0 HB VAL A 40 18.695 16.294 20.423 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.818 16.516 21.648 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.058 16.607 19.886 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.098 18.091 20.868 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.713 17.314 22.665 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.906 18.922 21.926 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.419 17.985 21.643 1.00 0.00 H new ATOM 617 N GLN A 41 18.415 20.423 19.933 1.00 0.00 N ATOM 618 CA GLN A 41 18.753 21.818 20.189 1.00 0.00 C ATOM 619 C GLN A 41 18.147 22.292 21.506 1.00 0.00 C ATOM 620 O GLN A 41 17.603 21.497 22.272 1.00 0.00 O ATOM 621 CB GLN A 41 18.262 22.702 19.041 1.00 0.00 C ATOM 622 CG GLN A 41 18.697 22.214 17.668 1.00 0.00 C ATOM 623 CD GLN A 41 18.628 23.301 16.614 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.013 24.445 16.858 1.00 0.00 O ATOM 625 NE2 GLN A 41 18.136 22.948 15.432 1.00 0.00 N ATOM 0 H GLN A 41 17.434 20.191 20.087 1.00 0.00 H new ATOM 0 HA GLN A 41 19.838 21.896 20.260 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.174 22.752 19.072 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.632 23.716 19.191 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.717 21.835 17.728 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.064 21.379 17.366 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.829 21.988 15.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.066 23.636 14.683 1.00 0.00 H new ATOM 634 N ASP A 42 18.247 23.592 21.763 1.00 0.00 N ATOM 635 CA ASP A 42 17.708 24.173 22.987 1.00 0.00 C ATOM 636 C ASP A 42 18.418 23.608 24.214 1.00 0.00 C ATOM 637 O ASP A 42 17.854 23.570 25.307 1.00 0.00 O ATOM 638 CB ASP A 42 16.205 23.906 23.085 1.00 0.00 C ATOM 639 CG ASP A 42 15.456 25.051 23.739 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.257 26.088 23.073 1.00 0.00 O ATOM 641 OD2 ASP A 42 15.067 24.908 24.917 1.00 0.00 O ATOM 0 H ASP A 42 18.696 24.263 21.140 1.00 0.00 H new ATOM 0 HA ASP A 42 17.877 25.249 22.954 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.803 23.736 22.086 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.037 22.993 23.656 1.00 0.00 H new ATOM 646 N GLY A 43 19.659 23.170 24.025 1.00 0.00 N ATOM 647 CA GLY A 43 20.425 22.613 25.124 1.00 0.00 C ATOM 648 C GLY A 43 19.679 21.512 25.851 1.00 0.00 C ATOM 649 O GLY A 43 19.612 21.505 27.080 1.00 0.00 O ATOM 0 H GLY A 43 20.148 23.191 23.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.367 22.219 24.743 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.673 23.406 25.829 1.00 0.00 H new ATOM 653 N ILE A 44 19.115 20.579 25.090 1.00 0.00 N ATOM 654 CA ILE A 44 18.370 19.469 25.670 1.00 0.00 C ATOM 655 C ILE A 44 19.160 18.168 25.577 1.00 0.00 C ATOM 656 O ILE A 44 19.917 17.958 24.631 1.00 0.00 O ATOM 657 CB ILE A 44 17.009 19.281 24.975 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.244 20.606 24.933 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.192 18.214 25.689 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.879 21.135 26.302 1.00 0.00 C ATOM 0 H ILE A 44 19.160 20.570 24.071 1.00 0.00 H new ATOM 0 HA ILE A 44 18.203 19.715 26.719 1.00 0.00 H new ATOM 0 HB ILE A 44 17.184 18.952 23.951 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.849 21.350 24.414 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.333 20.472 24.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.233 18.093 25.186 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.733 17.268 25.671 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.024 18.516 26.723 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.339 22.076 26.196 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.248 20.410 26.816 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.787 21.301 26.882 1.00 0.00 H new ATOM 672 N GLU A 45 18.976 17.299 26.566 1.00 0.00 N ATOM 673 CA GLU A 45 19.672 16.018 26.595 1.00 0.00 C ATOM 674 C GLU A 45 18.679 14.859 26.595 1.00 0.00 C ATOM 675 O GLU A 45 17.857 14.732 27.503 1.00 0.00 O ATOM 676 CB GLU A 45 20.575 15.930 27.827 1.00 0.00 C ATOM 677 CG GLU A 45 21.971 16.486 27.599 1.00 0.00 C ATOM 678 CD GLU A 45 22.911 15.469 26.983 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.721 14.259 27.229 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.838 15.883 26.255 1.00 0.00 O ATOM 0 H GLU A 45 18.352 17.458 27.357 1.00 0.00 H new ATOM 0 HA GLU A 45 20.287 15.948 25.698 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.107 16.471 28.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.654 14.888 28.136 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.909 17.358 26.948 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.382 16.826 28.549 1.00 0.00 H new ATOM 687 N LEU A 46 18.761 14.017 25.571 1.00 0.00 N ATOM 688 CA LEU A 46 17.869 12.869 25.451 1.00 0.00 C ATOM 689 C LEU A 46 18.405 11.679 26.241 1.00 0.00 C ATOM 690 O LEU A 46 19.541 11.250 26.039 1.00 0.00 O ATOM 691 CB LEU A 46 17.696 12.483 23.981 1.00 0.00 C ATOM 692 CG LEU A 46 17.603 13.644 22.990 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.563 13.123 21.561 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.379 14.499 23.282 1.00 0.00 C ATOM 0 H LEU A 46 19.436 14.108 24.812 1.00 0.00 H new ATOM 0 HA LEU A 46 16.899 13.149 25.863 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.535 11.850 23.691 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.794 11.879 23.888 1.00 0.00 H new ATOM 0 HG LEU A 46 18.491 14.266 23.104 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.497 13.963 20.869 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.470 12.554 21.356 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.694 12.478 21.433 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.330 15.320 22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.480 13.889 23.196 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.449 14.902 24.292 1.00 0.00 H new ATOM 706 N GLN A 47 17.580 11.150 27.139 1.00 0.00 N ATOM 707 CA GLN A 47 17.971 10.009 27.957 1.00 0.00 C ATOM 708 C GLN A 47 17.147 8.776 27.602 1.00 0.00 C ATOM 709 O GLN A 47 16.245 8.840 26.767 1.00 0.00 O ATOM 710 CB GLN A 47 17.805 10.338 29.442 1.00 0.00 C ATOM 711 CG GLN A 47 18.398 11.680 29.837 1.00 0.00 C ATOM 712 CD GLN A 47 18.831 11.721 31.290 1.00 0.00 C ATOM 713 OE1 GLN A 47 18.342 12.536 32.073 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.754 10.840 31.658 1.00 0.00 N ATOM 0 H GLN A 47 16.637 11.494 27.318 1.00 0.00 H new ATOM 0 HA GLN A 47 19.020 9.792 27.755 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.744 10.332 29.691 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.276 9.553 30.034 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.256 11.896 29.200 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.663 12.465 29.658 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.132 10.183 30.976 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.085 10.821 32.623 1.00 0.00 H new ATOM 723 N ALA A 48 17.462 7.655 28.241 1.00 0.00 N ATOM 724 CA ALA A 48 16.750 6.407 27.994 1.00 0.00 C ATOM 725 C ALA A 48 15.306 6.495 28.478 1.00 0.00 C ATOM 726 O ALA A 48 15.049 6.628 29.674 1.00 0.00 O ATOM 727 CB ALA A 48 17.466 5.247 28.669 1.00 0.00 C ATOM 0 H ALA A 48 18.207 7.585 28.935 1.00 0.00 H new ATOM 0 HA ALA A 48 16.736 6.232 26.918 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.923 4.322 28.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.478 5.163 28.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.511 5.423 29.744 1.00 0.00 H new ATOM 733 N GLY A 49 14.366 6.419 27.540 1.00 0.00 N ATOM 734 CA GLY A 49 12.960 6.492 27.892 1.00 0.00 C ATOM 735 C GLY A 49 12.384 7.880 27.691 1.00 0.00 C ATOM 736 O GLY A 49 11.308 8.192 28.201 1.00 0.00 O ATOM 0 H GLY A 49 14.553 6.308 26.543 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.400 5.778 27.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.833 6.197 28.934 1.00 0.00 H new ATOM 740 N ASP A 50 13.102 8.715 26.948 1.00 0.00 N ATOM 741 CA ASP A 50 12.656 10.078 26.682 1.00 0.00 C ATOM 742 C ASP A 50 11.981 10.172 25.317 1.00 0.00 C ATOM 743 O ASP A 50 12.554 9.775 24.303 1.00 0.00 O ATOM 744 CB ASP A 50 13.838 11.046 26.748 1.00 0.00 C ATOM 745 CG ASP A 50 14.161 11.469 28.168 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.686 10.800 29.108 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.889 12.470 28.337 1.00 0.00 O ATOM 0 H ASP A 50 13.995 8.472 26.519 1.00 0.00 H new ATOM 0 HA ASP A 50 11.929 10.352 27.447 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.715 10.575 26.304 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.614 11.930 26.151 1.00 0.00 H new ATOM 752 N GLU A 51 10.760 10.698 25.301 1.00 0.00 N ATOM 753 CA GLU A 51 10.007 10.842 24.061 1.00 0.00 C ATOM 754 C GLU A 51 10.297 12.187 23.401 1.00 0.00 C ATOM 755 O GLU A 51 10.140 13.241 24.019 1.00 0.00 O ATOM 756 CB GLU A 51 8.507 10.706 24.330 1.00 0.00 C ATOM 757 CG GLU A 51 7.728 10.135 23.158 1.00 0.00 C ATOM 758 CD GLU A 51 6.258 9.935 23.476 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.475 10.889 23.287 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.893 8.824 23.914 1.00 0.00 O ATOM 0 H GLU A 51 10.272 11.031 26.132 1.00 0.00 H new ATOM 0 HA GLU A 51 10.320 10.049 23.382 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.359 10.066 25.200 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.101 11.686 24.582 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.823 10.804 22.303 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.166 9.180 22.866 1.00 0.00 H new ATOM 767 N VAL A 52 10.722 12.143 22.142 1.00 0.00 N ATOM 768 CA VAL A 52 11.033 13.357 21.398 1.00 0.00 C ATOM 769 C VAL A 52 10.343 13.360 20.038 1.00 0.00 C ATOM 770 O VAL A 52 10.035 12.305 19.486 1.00 0.00 O ATOM 771 CB VAL A 52 12.551 13.515 21.191 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.232 13.890 22.499 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.146 12.238 20.618 1.00 0.00 C ATOM 0 H VAL A 52 10.859 11.280 21.616 1.00 0.00 H new ATOM 0 HA VAL A 52 10.665 14.194 21.991 1.00 0.00 H new ATOM 0 HB VAL A 52 12.721 14.320 20.476 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.304 13.997 22.333 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.825 14.833 22.864 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.056 13.109 23.238 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.219 12.367 20.478 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.967 11.412 21.307 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.679 12.018 19.658 1.00 0.00 H new ATOM 783 N GLU A 53 10.105 14.554 19.504 1.00 0.00 N ATOM 784 CA GLU A 53 9.451 14.694 18.209 1.00 0.00 C ATOM 785 C GLU A 53 10.446 15.140 17.142 1.00 0.00 C ATOM 786 O GLU A 53 11.040 16.215 17.241 1.00 0.00 O ATOM 787 CB GLU A 53 8.299 15.697 18.299 1.00 0.00 C ATOM 788 CG GLU A 53 7.479 15.800 17.024 1.00 0.00 C ATOM 789 CD GLU A 53 6.275 16.708 17.176 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.458 17.869 17.600 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.150 16.259 16.873 1.00 0.00 O ATOM 0 H GLU A 53 10.355 15.437 19.948 1.00 0.00 H new ATOM 0 HA GLU A 53 9.053 13.720 17.925 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.643 15.410 19.121 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.703 16.680 18.541 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.112 16.174 16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.144 14.805 16.731 1.00 0.00 H new ATOM 798 N PHE A 54 10.625 14.307 16.122 1.00 0.00 N ATOM 799 CA PHE A 54 11.550 14.614 15.037 1.00 0.00 C ATOM 800 C PHE A 54 10.841 14.561 13.687 1.00 0.00 C ATOM 801 O PHE A 54 9.754 13.996 13.566 1.00 0.00 O ATOM 802 CB PHE A 54 12.725 13.635 15.048 1.00 0.00 C ATOM 803 CG PHE A 54 12.305 12.194 15.098 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.890 11.539 13.950 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.324 11.494 16.294 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.503 10.213 13.992 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.938 10.168 16.343 1.00 0.00 C ATOM 808 CZ PHE A 54 11.526 9.527 15.191 1.00 0.00 C ATOM 0 H PHE A 54 10.142 13.414 16.024 1.00 0.00 H new ATOM 0 HA PHE A 54 11.928 15.625 15.190 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.331 13.798 14.157 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.359 13.850 15.908 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.869 12.071 13.011 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.644 11.991 17.198 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.183 9.714 13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.958 9.633 17.281 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.222 8.491 15.227 1.00 0.00 H new ATOM 818 N SER A 55 11.465 15.153 12.674 1.00 0.00 N ATOM 819 CA SER A 55 10.893 15.177 11.333 1.00 0.00 C ATOM 820 C SER A 55 11.604 14.181 10.421 1.00 0.00 C ATOM 821 O SER A 55 12.816 14.261 10.219 1.00 0.00 O ATOM 822 CB SER A 55 10.987 16.584 10.740 1.00 0.00 C ATOM 823 OG SER A 55 12.298 16.856 10.276 1.00 0.00 O ATOM 0 H SER A 55 12.367 15.622 12.756 1.00 0.00 H new ATOM 0 HA SER A 55 9.844 14.891 11.408 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.279 16.683 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.705 17.319 11.494 1.00 0.00 H new ATOM 0 HG SER A 55 12.849 16.050 10.362 1.00 0.00 H new ATOM 829 N VAL A 56 10.840 13.242 9.872 1.00 0.00 N ATOM 830 CA VAL A 56 11.395 12.230 8.981 1.00 0.00 C ATOM 831 C VAL A 56 11.854 12.848 7.665 1.00 0.00 C ATOM 832 O VAL A 56 11.050 13.404 6.915 1.00 0.00 O ATOM 833 CB VAL A 56 10.369 11.120 8.683 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.983 10.048 7.796 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.847 10.517 9.979 1.00 0.00 C ATOM 0 H VAL A 56 9.835 13.161 10.029 1.00 0.00 H new ATOM 0 HA VAL A 56 12.253 11.794 9.493 1.00 0.00 H new ATOM 0 HB VAL A 56 9.528 11.561 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.243 9.273 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.304 10.494 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.843 9.607 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.123 9.735 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.677 10.090 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.366 11.294 10.574 1.00 0.00 H new ATOM 845 N ILE A 57 13.150 12.747 7.390 1.00 0.00 N ATOM 846 CA ILE A 57 13.715 13.296 6.164 1.00 0.00 C ATOM 847 C ILE A 57 14.370 12.204 5.324 1.00 0.00 C ATOM 848 O ILE A 57 15.166 11.411 5.828 1.00 0.00 O ATOM 849 CB ILE A 57 14.756 14.390 6.464 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.128 15.507 7.301 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.326 14.949 5.169 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.986 16.214 6.605 1.00 0.00 C ATOM 0 H ILE A 57 13.828 12.290 8.000 1.00 0.00 H new ATOM 0 HA ILE A 57 12.889 13.736 5.605 1.00 0.00 H new ATOM 0 HB ILE A 57 15.571 13.947 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.767 15.087 8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.897 16.237 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.060 15.721 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.805 14.148 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.521 15.379 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.589 16.993 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.346 16.663 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.198 15.496 6.377 1.00 0.00 H new ATOM 864 N LEU A 58 14.030 12.170 4.040 1.00 0.00 N ATOM 865 CA LEU A 58 14.586 11.176 3.128 1.00 0.00 C ATOM 866 C LEU A 58 15.386 11.845 2.015 1.00 0.00 C ATOM 867 O LEU A 58 14.922 12.798 1.391 1.00 0.00 O ATOM 868 CB LEU A 58 13.467 10.325 2.526 1.00 0.00 C ATOM 869 CG LEU A 58 13.843 9.491 1.301 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.894 8.454 1.662 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.609 8.821 0.713 1.00 0.00 C ATOM 0 H LEU A 58 13.373 12.819 3.607 1.00 0.00 H new ATOM 0 HA LEU A 58 15.257 10.533 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.094 9.652 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.643 10.984 2.253 1.00 0.00 H new ATOM 0 HG LEU A 58 14.264 10.157 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.148 7.871 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.787 8.956 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.501 7.791 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.895 8.232 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.158 8.168 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.889 9.583 0.415 1.00 0.00 H new ATOM 883 N ASN A 59 16.590 11.339 1.772 1.00 0.00 N ATOM 884 CA ASN A 59 17.455 11.887 0.733 1.00 0.00 C ATOM 885 C ASN A 59 17.385 11.041 -0.535 1.00 0.00 C ATOM 886 O ASN A 59 17.452 9.813 -0.478 1.00 0.00 O ATOM 887 CB ASN A 59 18.900 11.962 1.230 1.00 0.00 C ATOM 888 CG ASN A 59 19.182 13.241 1.994 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.269 14.007 2.304 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.452 13.479 2.302 1.00 0.00 N ATOM 0 H ASN A 59 16.989 10.550 2.280 1.00 0.00 H new ATOM 0 HA ASN A 59 17.106 12.893 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.106 11.105 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.578 11.893 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.703 14.324 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.177 12.817 2.025 1.00 0.00 H new ATOM 897 N GLN A 60 17.250 11.707 -1.677 1.00 0.00 N ATOM 898 CA GLN A 60 17.171 11.016 -2.959 1.00 0.00 C ATOM 899 C GLN A 60 18.554 10.576 -3.427 1.00 0.00 C ATOM 900 O GLN A 60 18.690 9.598 -4.161 1.00 0.00 O ATOM 901 CB GLN A 60 16.527 11.921 -4.011 1.00 0.00 C ATOM 902 CG GLN A 60 15.131 12.392 -3.637 1.00 0.00 C ATOM 903 CD GLN A 60 14.673 13.575 -4.466 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.270 13.897 -5.493 1.00 0.00 O ATOM 905 NE2 GLN A 60 13.606 14.230 -4.023 1.00 0.00 N ATOM 0 H GLN A 60 17.193 12.723 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 60 16.553 10.128 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.165 12.791 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.479 11.385 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.428 11.569 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.114 12.664 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.142 13.928 -3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.251 15.035 -4.539 1.00 0.00 H new ATOM 914 N ARG A 61 19.578 11.306 -2.997 1.00 0.00 N ATOM 915 CA ARG A 61 20.952 10.992 -3.373 1.00 0.00 C ATOM 916 C ARG A 61 21.458 9.771 -2.611 1.00 0.00 C ATOM 917 O ARG A 61 22.002 8.838 -3.203 1.00 0.00 O ATOM 918 CB ARG A 61 21.864 12.190 -3.102 1.00 0.00 C ATOM 919 CG ARG A 61 23.311 11.957 -3.505 1.00 0.00 C ATOM 920 CD ARG A 61 24.057 13.270 -3.685 1.00 0.00 C ATOM 921 NE ARG A 61 25.431 13.061 -4.134 1.00 0.00 N ATOM 922 CZ ARG A 61 26.271 14.051 -4.415 1.00 0.00 C ATOM 923 NH1 ARG A 61 25.878 15.312 -4.295 1.00 0.00 N ATOM 924 NH2 ARG A 61 27.506 13.781 -4.817 1.00 0.00 N ATOM 0 H ARG A 61 19.483 12.119 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 61 20.968 10.766 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.481 13.057 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.826 12.432 -2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.809 11.355 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.344 11.388 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.529 13.891 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.063 13.816 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 61 25.764 12.102 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 61 24.929 15.523 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 61 26.525 16.071 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 61 27.812 12.812 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 61 28.150 14.542 -5.032 1.00 0.00 H new ATOM 938 N THR A 62 21.278 9.785 -1.294 1.00 0.00 N ATOM 939 CA THR A 62 21.718 8.680 -0.451 1.00 0.00 C ATOM 940 C THR A 62 20.637 7.611 -0.338 1.00 0.00 C ATOM 941 O THR A 62 20.872 6.443 -0.645 1.00 0.00 O ATOM 942 CB THR A 62 22.093 9.167 0.962 1.00 0.00 C ATOM 943 OG1 THR A 62 20.975 9.829 1.564 1.00 0.00 O ATOM 944 CG2 THR A 62 23.282 10.114 0.910 1.00 0.00 C ATOM 0 H THR A 62 20.831 10.549 -0.788 1.00 0.00 H new ATOM 0 HA THR A 62 22.601 8.251 -0.926 1.00 0.00 H new ATOM 0 HB THR A 62 22.367 8.299 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.220 10.134 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.528 10.445 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.139 9.598 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.032 10.979 0.296 1.00 0.00 H new ATOM 952 N GLY A 63 19.452 8.018 0.105 1.00 0.00 N ATOM 953 CA GLY A 63 18.352 7.082 0.251 1.00 0.00 C ATOM 954 C GLY A 63 18.051 6.762 1.702 1.00 0.00 C ATOM 955 O GLY A 63 16.961 6.292 2.029 1.00 0.00 O ATOM 0 H GLY A 63 19.233 8.980 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.461 7.498 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.591 6.160 -0.279 1.00 0.00 H new ATOM 959 N LYS A 64 19.020 7.016 2.575 1.00 0.00 N ATOM 960 CA LYS A 64 18.855 6.752 3.999 1.00 0.00 C ATOM 961 C LYS A 64 18.055 7.865 4.670 1.00 0.00 C ATOM 962 O LYS A 64 18.033 9.000 4.192 1.00 0.00 O ATOM 963 CB LYS A 64 20.221 6.613 4.675 1.00 0.00 C ATOM 964 CG LYS A 64 20.958 5.339 4.299 1.00 0.00 C ATOM 965 CD LYS A 64 22.404 5.373 4.766 1.00 0.00 C ATOM 966 CE LYS A 64 23.233 4.292 4.090 1.00 0.00 C ATOM 967 NZ LYS A 64 23.371 4.532 2.627 1.00 0.00 N ATOM 0 H LYS A 64 19.928 7.405 2.321 1.00 0.00 H new ATOM 0 HA LYS A 64 18.306 5.817 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.838 7.472 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.086 6.640 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.452 4.481 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.927 5.205 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.834 6.351 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.442 5.239 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.222 4.254 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.768 3.320 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.198 4.015 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.515 4.200 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.496 5.550 2.452 1.00 0.00 H new ATOM 981 N CYS A 65 17.402 7.533 5.778 1.00 0.00 N ATOM 982 CA CYS A 65 16.602 8.505 6.514 1.00 0.00 C ATOM 983 C CYS A 65 17.286 8.893 7.822 1.00 0.00 C ATOM 984 O CYS A 65 18.232 8.237 8.257 1.00 0.00 O ATOM 985 CB CYS A 65 15.211 7.940 6.800 1.00 0.00 C ATOM 986 SG CYS A 65 14.385 7.242 5.351 1.00 0.00 S ATOM 0 H CYS A 65 17.411 6.598 6.186 1.00 0.00 H new ATOM 0 HA CYS A 65 16.503 9.399 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.295 7.167 7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.587 8.732 7.214 1.00 0.00 H new ATOM 0 HG CYS A 65 13.216 6.788 5.694 1.00 0.00 H new ATOM 992 N SER A 66 16.801 9.964 8.442 1.00 0.00 N ATOM 993 CA SER A 66 17.368 10.443 9.697 1.00 0.00 C ATOM 994 C SER A 66 16.415 11.413 10.389 1.00 0.00 C ATOM 995 O SER A 66 15.385 11.791 9.833 1.00 0.00 O ATOM 996 CB SER A 66 18.714 11.126 9.445 1.00 0.00 C ATOM 997 OG SER A 66 18.577 12.201 8.532 1.00 0.00 O ATOM 0 H SER A 66 16.017 10.516 8.096 1.00 0.00 H new ATOM 0 HA SER A 66 17.521 9.583 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.121 11.494 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.426 10.400 9.053 1.00 0.00 H new ATOM 0 HG SER A 66 19.450 12.622 8.389 1.00 0.00 H new ATOM 1003 N ALA A 67 16.768 11.811 11.607 1.00 0.00 N ATOM 1004 CA ALA A 67 15.946 12.737 12.375 1.00 0.00 C ATOM 1005 C ALA A 67 16.523 14.148 12.333 1.00 0.00 C ATOM 1006 O ALA A 67 17.723 14.332 12.128 1.00 0.00 O ATOM 1007 CB ALA A 67 15.818 12.260 13.815 1.00 0.00 C ATOM 0 H ALA A 67 17.617 11.506 12.083 1.00 0.00 H new ATOM 0 HA ALA A 67 14.954 12.764 11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.201 12.961 14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.353 11.274 13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.807 12.203 14.269 1.00 0.00 H new ATOM 1013 N CYS A 68 15.662 15.141 12.528 1.00 0.00 N ATOM 1014 CA CYS A 68 16.087 16.536 12.510 1.00 0.00 C ATOM 1015 C CYS A 68 15.250 17.371 13.474 1.00 0.00 C ATOM 1016 O CYS A 68 14.067 17.103 13.677 1.00 0.00 O ATOM 1017 CB CYS A 68 15.977 17.106 11.095 1.00 0.00 C ATOM 1018 SG CYS A 68 17.177 18.409 10.730 1.00 0.00 S ATOM 0 H CYS A 68 14.666 15.006 12.700 1.00 0.00 H new ATOM 0 HA CYS A 68 17.128 16.578 12.831 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.106 16.296 10.377 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.972 17.502 10.951 1.00 0.00 H new ATOM 0 HG CYS A 68 17.007 18.826 9.511 1.00 0.00 H new ATOM 1024 N ASN A 69 15.875 18.383 14.067 1.00 0.00 N ATOM 1025 CA ASN A 69 15.189 19.256 15.013 1.00 0.00 C ATOM 1026 C ASN A 69 14.547 18.446 16.135 1.00 0.00 C ATOM 1027 O ASN A 69 13.375 18.636 16.460 1.00 0.00 O ATOM 1028 CB ASN A 69 14.123 20.085 14.292 1.00 0.00 C ATOM 1029 CG ASN A 69 14.711 20.963 13.205 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.731 21.622 13.407 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.068 20.976 12.043 1.00 0.00 N ATOM 0 H ASN A 69 16.855 18.619 13.909 1.00 0.00 H new ATOM 0 HA ASN A 69 15.928 19.927 15.451 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.382 19.417 13.854 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.601 20.709 15.017 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.416 21.548 11.274 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.226 20.414 11.920 1.00 0.00 H new ATOM 1038 N VAL A 70 15.323 17.542 16.723 1.00 0.00 N ATOM 1039 CA VAL A 70 14.832 16.704 17.810 1.00 0.00 C ATOM 1040 C VAL A 70 14.419 17.547 19.011 1.00 0.00 C ATOM 1041 O VAL A 70 15.246 18.225 19.620 1.00 0.00 O ATOM 1042 CB VAL A 70 15.895 15.681 18.255 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.372 14.835 19.406 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.314 14.805 17.084 1.00 0.00 C ATOM 0 H VAL A 70 16.295 17.371 16.465 1.00 0.00 H new ATOM 0 HA VAL A 70 13.962 16.170 17.429 1.00 0.00 H new ATOM 0 HB VAL A 70 16.773 16.223 18.605 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.136 14.118 19.707 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.127 15.480 20.250 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.478 14.300 19.087 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.065 14.088 17.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.445 14.269 16.701 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.732 15.429 16.294 1.00 0.00 H new ATOM 1054 N TRP A 71 13.135 17.499 19.347 1.00 0.00 N ATOM 1055 CA TRP A 71 12.612 18.258 20.477 1.00 0.00 C ATOM 1056 C TRP A 71 12.070 17.327 21.555 1.00 0.00 C ATOM 1057 O TRP A 71 11.369 16.360 21.257 1.00 0.00 O ATOM 1058 CB TRP A 71 11.512 19.213 20.010 1.00 0.00 C ATOM 1059 CG TRP A 71 10.729 19.814 21.138 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.666 19.255 21.788 1.00 0.00 C ATOM 1061 CD2 TRP A 71 10.947 21.091 21.748 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.210 20.107 22.764 1.00 0.00 N ATOM 1063 CE2 TRP A 71 9.979 21.240 22.761 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.866 22.123 21.538 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 9.906 22.379 23.559 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.792 23.252 22.331 1.00 0.00 C ATOM 1067 CH2 TRP A 71 10.819 23.373 23.331 1.00 0.00 C ATOM 0 H TRP A 71 12.437 16.943 18.853 1.00 0.00 H new ATOM 0 HA TRP A 71 13.431 18.838 20.903 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.961 20.013 19.422 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.831 18.676 19.350 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.246 18.285 21.567 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.425 19.925 23.390 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.620 22.039 20.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.156 22.475 24.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.497 24.055 22.177 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.788 24.268 23.934 1.00 0.00 H new ATOM 1078 N ARG A 72 12.398 17.624 22.808 1.00 0.00 N ATOM 1079 CA ARG A 72 11.944 16.812 23.930 1.00 0.00 C ATOM 1080 C ARG A 72 10.644 17.362 24.509 1.00 0.00 C ATOM 1081 O ARG A 72 10.562 18.534 24.876 1.00 0.00 O ATOM 1082 CB ARG A 72 13.018 16.762 25.019 1.00 0.00 C ATOM 1083 CG ARG A 72 12.839 15.614 25.999 1.00 0.00 C ATOM 1084 CD ARG A 72 13.551 15.888 27.314 1.00 0.00 C ATOM 1085 NE ARG A 72 12.798 16.807 28.163 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.245 17.266 29.327 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.435 16.895 29.777 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.500 18.099 30.043 1.00 0.00 N ATOM 0 H ARG A 72 12.977 18.421 23.072 1.00 0.00 H new ATOM 0 HA ARG A 72 11.760 15.802 23.563 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.997 16.677 24.548 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.010 17.703 25.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.777 15.456 26.185 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.226 14.695 25.559 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.706 14.949 27.845 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.537 16.306 27.112 1.00 0.00 H new ATOM 0 HE ARG A 72 11.879 17.113 27.845 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.011 16.255 29.229 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.775 17.249 30.671 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.584 18.387 29.700 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.844 18.451 30.937 1.00 0.00 H new ATOM 1102 N VAL A 73 9.628 16.507 24.585 1.00 0.00 N ATOM 1103 CA VAL A 73 8.331 16.907 25.119 1.00 0.00 C ATOM 1104 C VAL A 73 8.136 16.384 26.538 1.00 0.00 C ATOM 1105 O VAL A 73 7.440 16.998 27.346 1.00 0.00 O ATOM 1106 CB VAL A 73 7.179 16.398 24.233 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.341 16.899 22.806 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.111 14.879 24.269 1.00 0.00 C ATOM 0 H VAL A 73 9.678 15.534 24.284 1.00 0.00 H new ATOM 0 HA VAL A 73 8.316 17.997 25.132 1.00 0.00 H new ATOM 0 HB VAL A 73 6.241 16.790 24.626 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.518 16.529 22.195 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.336 17.989 22.800 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.286 16.538 22.399 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.291 14.536 23.637 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.050 14.464 23.902 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.943 14.546 25.293 1.00 0.00 H new ATOM 1118 N SER A 74 8.756 15.246 26.834 1.00 0.00 N ATOM 1119 CA SER A 74 8.649 14.638 28.155 1.00 0.00 C ATOM 1120 C SER A 74 10.027 14.276 28.701 1.00 0.00 C ATOM 1121 O SER A 74 10.964 14.036 27.941 1.00 0.00 O ATOM 1122 CB SER A 74 7.768 13.389 28.094 1.00 0.00 C ATOM 1123 OG SER A 74 7.446 12.927 29.395 1.00 0.00 O ATOM 0 H SER A 74 9.338 14.726 26.177 1.00 0.00 H new ATOM 0 HA SER A 74 8.192 15.365 28.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.852 13.613 27.547 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.284 12.603 27.543 1.00 0.00 H new ATOM 0 HG SER A 74 6.881 12.129 29.328 1.00 0.00 H new