USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 529 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 34 THR OG1 : rot 161:sc= -0.593 USER MOD Set 1.2: A 41 GLN : amide:sc= -4.81! K(o=-5.4!,f=-6.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.254 (180deg=-0.937) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0274 (180deg=-0.464) USER MOD Single : A 12 THR OG1 : rot -22:sc= 0.264 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.104 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.54! C(o=-3.5!,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.227 (180deg=-0.564) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.909 K(o=-0.91,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.126) USER MOD Single : A 40 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 3:sc= 0.377 USER MOD Single : A 60 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= 1.5 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.16! K(o=-3.2!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.224 23.547 2.342 1.00 0.00 N ATOM 2 CA MET A 1 25.435 24.763 2.688 1.00 0.00 C ATOM 3 C MET A 1 26.284 25.692 3.550 1.00 0.00 C ATOM 4 O MET A 1 26.975 25.246 4.467 1.00 0.00 O ATOM 5 CB MET A 1 24.170 24.348 3.446 1.00 0.00 C ATOM 6 CG MET A 1 24.547 23.465 4.638 1.00 0.00 C ATOM 7 SD MET A 1 23.042 22.901 5.470 1.00 0.00 S ATOM 8 CE MET A 1 23.733 22.784 7.139 1.00 0.00 C ATOM 0 H1 MET A 1 25.581 22.738 2.226 1.00 0.00 H new ATOM 0 H2 MET A 1 26.740 23.709 1.454 1.00 0.00 H new ATOM 0 H3 MET A 1 26.902 23.344 3.104 1.00 0.00 H new ATOM 0 HA MET A 1 25.149 25.289 1.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.635 25.233 3.792 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.497 23.808 2.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.131 22.609 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.173 24.023 5.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.960 22.446 7.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.559 22.072 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.096 23.763 7.452 1.00 0.00 H new ATOM 18 N GLN A 2 26.227 26.989 3.248 1.00 0.00 N ATOM 19 CA GLN A 2 26.993 27.985 3.999 1.00 0.00 C ATOM 20 C GLN A 2 26.127 28.603 5.093 1.00 0.00 C ATOM 21 O GLN A 2 24.917 28.392 5.127 1.00 0.00 O ATOM 22 CB GLN A 2 27.485 29.081 3.048 1.00 0.00 C ATOM 23 CG GLN A 2 28.427 28.467 2.009 1.00 0.00 C ATOM 24 CD GLN A 2 28.860 29.530 1.003 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.025 30.086 0.289 1.00 0.00 O ATOM 26 NE2 GLN A 2 30.123 29.844 0.902 1.00 0.00 N ATOM 0 H GLN A 2 25.661 27.374 2.492 1.00 0.00 H new ATOM 0 HA GLN A 2 27.849 27.496 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.638 29.555 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.002 29.859 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.302 28.045 2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.927 27.648 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.812 29.382 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.420 30.552 0.230 1.00 0.00 H new ATOM 35 N ILE A 3 26.753 29.364 5.990 1.00 0.00 N ATOM 36 CA ILE A 3 26.020 30.002 7.087 1.00 0.00 C ATOM 37 C ILE A 3 26.581 31.386 7.390 1.00 0.00 C ATOM 38 O ILE A 3 27.772 31.642 7.211 1.00 0.00 O ATOM 39 CB ILE A 3 26.110 29.137 8.346 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.569 28.714 8.577 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.234 27.896 8.177 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.731 28.190 10.006 1.00 0.00 C ATOM 0 H ILE A 3 27.755 29.554 5.981 1.00 0.00 H new ATOM 0 HA ILE A 3 24.979 30.106 6.780 1.00 0.00 H new ATOM 0 HB ILE A 3 25.761 29.710 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.852 27.942 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.235 29.561 8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.299 27.280 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.199 28.200 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.579 27.322 7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.766 27.890 10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.465 28.975 10.714 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.077 27.331 10.155 1.00 0.00 H new ATOM 54 N PHE A 4 25.709 32.271 7.873 1.00 0.00 N ATOM 55 CA PHE A 4 26.108 33.632 8.230 1.00 0.00 C ATOM 56 C PHE A 4 26.214 33.749 9.747 1.00 0.00 C ATOM 57 O PHE A 4 25.285 33.398 10.470 1.00 0.00 O ATOM 58 CB PHE A 4 25.081 34.645 7.700 1.00 0.00 C ATOM 59 CG PHE A 4 24.583 34.239 6.325 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.428 33.585 5.410 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.262 34.531 5.961 1.00 0.00 C ATOM 62 CE1 PHE A 4 24.948 33.229 4.144 1.00 0.00 C ATOM 63 CE2 PHE A 4 22.786 34.174 4.696 1.00 0.00 C ATOM 64 CZ PHE A 4 23.628 33.524 3.788 1.00 0.00 C ATOM 0 H PHE A 4 24.721 32.069 8.026 1.00 0.00 H new ATOM 0 HA PHE A 4 27.077 33.848 7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.240 34.713 8.391 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.533 35.636 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.447 33.357 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.609 35.033 6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.597 32.727 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.767 34.400 4.420 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.259 33.250 2.811 1.00 0.00 H new ATOM 74 N VAL A 5 27.362 34.226 10.223 1.00 0.00 N ATOM 75 CA VAL A 5 27.601 34.370 11.661 1.00 0.00 C ATOM 76 C VAL A 5 27.543 35.839 12.080 1.00 0.00 C ATOM 77 O VAL A 5 28.221 36.682 11.500 1.00 0.00 O ATOM 78 CB VAL A 5 28.981 33.799 11.991 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.038 32.331 11.556 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.056 34.594 11.247 1.00 0.00 C ATOM 0 H VAL A 5 28.142 34.520 9.636 1.00 0.00 H new ATOM 0 HA VAL A 5 26.826 33.829 12.205 1.00 0.00 H new ATOM 0 HB VAL A 5 29.158 33.870 13.064 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.020 31.920 11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.272 31.764 12.086 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.862 32.263 10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.039 34.186 11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.882 34.524 10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.014 35.639 11.554 1.00 0.00 H new ATOM 90 N LYS A 6 26.732 36.137 13.092 1.00 0.00 N ATOM 91 CA LYS A 6 26.597 37.510 13.575 1.00 0.00 C ATOM 92 C LYS A 6 27.756 37.872 14.502 1.00 0.00 C ATOM 93 O LYS A 6 28.057 37.142 15.446 1.00 0.00 O ATOM 94 CB LYS A 6 25.275 37.671 14.329 1.00 0.00 C ATOM 95 CG LYS A 6 25.051 39.148 14.665 1.00 0.00 C ATOM 96 CD LYS A 6 23.723 39.305 15.410 1.00 0.00 C ATOM 97 CE LYS A 6 23.484 40.783 15.726 1.00 0.00 C ATOM 98 NZ LYS A 6 23.284 41.536 14.455 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.162 35.453 13.590 1.00 0.00 H new ATOM 0 HA LYS A 6 26.611 38.178 12.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.451 37.297 13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.292 37.078 15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.871 39.521 15.279 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.040 39.742 13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.906 38.916 14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.741 38.724 16.332 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.610 40.892 16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.334 41.191 16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.829 42.448 14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.205 41.702 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.678 40.983 13.816 1.00 0.00 H new ATOM 181 N THR A 12 28.444 40.127 9.274 1.00 0.00 N ATOM 182 CA THR A 12 28.160 38.758 8.855 1.00 0.00 C ATOM 183 C THR A 12 29.334 38.168 8.082 1.00 0.00 C ATOM 184 O THR A 12 29.875 38.801 7.175 1.00 0.00 O ATOM 185 CB THR A 12 26.906 38.728 7.980 1.00 0.00 C ATOM 186 OG1 THR A 12 27.005 39.731 6.979 1.00 0.00 O ATOM 187 CG2 THR A 12 25.672 38.984 8.846 1.00 0.00 C ATOM 0 HA THR A 12 27.996 38.158 9.750 1.00 0.00 H new ATOM 0 HB THR A 12 26.816 37.751 7.505 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.641 40.419 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.779 38.963 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.598 38.212 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.758 39.960 9.323 1.00 0.00 H new ATOM 195 N THR A 13 29.720 36.943 8.446 1.00 0.00 N ATOM 196 CA THR A 13 30.832 36.254 7.783 1.00 0.00 C ATOM 197 C THR A 13 30.371 34.882 7.284 1.00 0.00 C ATOM 198 O THR A 13 30.047 33.998 8.076 1.00 0.00 O ATOM 199 CB THR A 13 32.012 36.123 8.773 1.00 0.00 C ATOM 200 OG1 THR A 13 32.809 37.296 8.698 1.00 0.00 O ATOM 201 CG2 THR A 13 32.882 34.903 8.445 1.00 0.00 C ATOM 0 H THR A 13 29.281 36.408 9.195 1.00 0.00 H new ATOM 0 HA THR A 13 31.165 36.830 6.920 1.00 0.00 H new ATOM 0 HB THR A 13 31.608 35.995 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.559 37.222 9.324 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.703 34.839 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.277 33.998 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.285 35.004 7.437 1.00 0.00 H new ATOM 209 N THR A 14 30.349 34.712 5.966 1.00 0.00 N ATOM 210 CA THR A 14 29.927 33.448 5.379 1.00 0.00 C ATOM 211 C THR A 14 30.947 32.354 5.677 1.00 0.00 C ATOM 212 O THR A 14 32.139 32.512 5.410 1.00 0.00 O ATOM 213 CB THR A 14 29.767 33.610 3.865 1.00 0.00 C ATOM 214 OG1 THR A 14 30.909 34.275 3.341 1.00 0.00 O ATOM 215 CG2 THR A 14 28.512 34.434 3.569 1.00 0.00 C ATOM 0 H THR A 14 30.616 35.428 5.290 1.00 0.00 H new ATOM 0 HA THR A 14 28.971 33.161 5.816 1.00 0.00 H new ATOM 0 HB THR A 14 29.671 32.629 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.711 33.972 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.398 34.549 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.638 33.924 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.605 35.417 4.031 1.00 0.00 H new ATOM 223 N LEU A 15 30.466 31.246 6.240 1.00 0.00 N ATOM 224 CA LEU A 15 31.331 30.114 6.587 1.00 0.00 C ATOM 225 C LEU A 15 30.824 28.834 5.923 1.00 0.00 C ATOM 226 O LEU A 15 29.624 28.558 5.906 1.00 0.00 O ATOM 227 CB LEU A 15 31.364 29.949 8.123 1.00 0.00 C ATOM 228 CG LEU A 15 32.518 30.782 8.727 1.00 0.00 C ATOM 229 CD1 LEU A 15 32.191 31.171 10.171 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.808 29.955 8.719 1.00 0.00 C ATOM 0 H LEU A 15 29.481 31.106 6.467 1.00 0.00 H new ATOM 0 HA LEU A 15 32.341 30.307 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.413 30.268 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.492 28.898 8.380 1.00 0.00 H new ATOM 0 HG LEU A 15 32.647 31.684 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.012 31.757 10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.276 31.763 10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.052 30.270 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.620 30.544 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.665 29.052 9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.058 29.680 7.694 1.00 0.00 H new ATOM 242 N GLU A 16 31.759 28.061 5.378 1.00 0.00 N ATOM 243 CA GLU A 16 31.423 26.808 4.707 1.00 0.00 C ATOM 244 C GLU A 16 31.352 25.663 5.714 1.00 0.00 C ATOM 245 O GLU A 16 32.328 25.374 6.405 1.00 0.00 O ATOM 246 CB GLU A 16 32.482 26.492 3.649 1.00 0.00 C ATOM 247 CG GLU A 16 32.039 25.289 2.816 1.00 0.00 C ATOM 248 CD GLU A 16 33.081 24.991 1.744 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.216 25.407 1.916 1.00 0.00 O1- ATOM 250 OE2 GLU A 16 32.732 24.349 0.767 1.00 0.00 O ATOM 0 H GLU A 16 32.755 28.280 5.388 1.00 0.00 H new ATOM 0 HA GLU A 16 30.449 26.918 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.634 27.357 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.438 26.281 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.906 24.419 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.074 25.492 2.352 1.00 0.00 H new ATOM 257 N VAL A 17 30.190 25.014 5.794 1.00 0.00 N ATOM 258 CA VAL A 17 29.998 23.897 6.722 1.00 0.00 C ATOM 259 C VAL A 17 29.148 22.807 6.075 1.00 0.00 C ATOM 260 O VAL A 17 28.499 23.038 5.055 1.00 0.00 O ATOM 261 CB VAL A 17 29.317 24.388 8.002 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.167 25.488 8.643 1.00 0.00 C ATOM 263 CG2 VAL A 17 27.928 24.943 7.669 1.00 0.00 C ATOM 0 H VAL A 17 29.370 25.240 5.231 1.00 0.00 H new ATOM 0 HA VAL A 17 30.975 23.483 6.970 1.00 0.00 H new ATOM 0 HB VAL A 17 29.214 23.555 8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.682 25.838 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.153 25.091 8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.272 26.319 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.447 25.291 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.026 25.774 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.322 24.159 7.216 1.00 0.00 H new ATOM 273 N GLU A 18 29.157 21.615 6.675 1.00 0.00 N ATOM 274 CA GLU A 18 28.383 20.487 6.151 1.00 0.00 C ATOM 275 C GLU A 18 27.767 19.687 7.306 1.00 0.00 C ATOM 276 O GLU A 18 28.335 19.647 8.398 1.00 0.00 O ATOM 277 CB GLU A 18 29.298 19.571 5.333 1.00 0.00 C ATOM 278 CG GLU A 18 29.744 20.289 4.059 1.00 0.00 C ATOM 279 CD GLU A 18 30.700 19.400 3.272 1.00 0.00 C ATOM 280 OE1 GLU A 18 30.724 18.210 3.538 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 31.395 19.922 2.416 1.00 0.00 O ATOM 0 H GLU A 18 29.689 21.406 7.520 1.00 0.00 H new ATOM 0 HA GLU A 18 27.585 20.872 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.168 19.288 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.773 18.651 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.876 20.536 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.233 21.229 4.313 1.00 0.00 H new ATOM 288 N PRO A 19 26.637 19.039 7.102 1.00 0.00 N ATOM 289 CA PRO A 19 25.990 18.232 8.176 1.00 0.00 C ATOM 290 C PRO A 19 27.011 17.405 8.957 1.00 0.00 C ATOM 291 O PRO A 19 26.989 17.370 10.187 1.00 0.00 O ATOM 292 CB PRO A 19 25.021 17.326 7.406 1.00 0.00 C ATOM 293 CG PRO A 19 24.648 18.105 6.184 1.00 0.00 C ATOM 294 CD PRO A 19 25.851 19.005 5.850 1.00 0.00 C ATOM 0 HA PRO A 19 25.496 18.853 8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.492 16.379 7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.142 17.088 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.422 17.437 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.755 18.703 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.435 18.599 5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.531 20.004 5.553 1.00 0.00 H new ATOM 302 N SER A 20 27.901 16.739 8.227 1.00 0.00 N ATOM 303 CA SER A 20 28.927 15.913 8.851 1.00 0.00 C ATOM 304 C SER A 20 29.929 16.778 9.609 1.00 0.00 C ATOM 305 O SER A 20 30.445 16.377 10.652 1.00 0.00 O ATOM 306 CB SER A 20 29.659 15.096 7.787 1.00 0.00 C ATOM 307 OG SER A 20 28.710 14.384 7.005 1.00 0.00 O ATOM 0 H SER A 20 27.932 16.755 7.208 1.00 0.00 H new ATOM 0 HA SER A 20 28.441 15.239 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.251 15.754 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.353 14.401 8.260 1.00 0.00 H new ATOM 0 HG SER A 20 29.177 13.860 6.321 1.00 0.00 H new ATOM 313 N ASP A 21 30.200 17.965 9.076 1.00 0.00 N ATOM 314 CA ASP A 21 31.144 18.875 9.712 1.00 0.00 C ATOM 315 C ASP A 21 30.733 19.148 11.153 1.00 0.00 C ATOM 316 O ASP A 21 29.646 19.665 11.412 1.00 0.00 O ATOM 317 CB ASP A 21 31.205 20.193 8.940 1.00 0.00 C ATOM 318 CG ASP A 21 32.432 20.991 9.371 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.504 20.713 8.860 1.00 0.00 O1- ATOM 320 OD2 ASP A 21 32.280 21.867 10.205 1.00 0.00 O ATOM 0 H ASP A 21 29.784 18.316 8.214 1.00 0.00 H new ATOM 0 HA ASP A 21 32.129 18.407 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.247 19.995 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.301 20.773 9.122 1.00 0.00 H new ATOM 325 N THR A 22 31.612 18.799 12.084 1.00 0.00 N ATOM 326 CA THR A 22 31.339 19.011 13.500 1.00 0.00 C ATOM 327 C THR A 22 31.672 20.443 13.895 1.00 0.00 C ATOM 328 O THR A 22 32.414 21.132 13.197 1.00 0.00 O ATOM 329 CB THR A 22 32.163 18.038 14.342 1.00 0.00 C ATOM 330 OG1 THR A 22 33.546 18.318 14.172 1.00 0.00 O ATOM 331 CG2 THR A 22 31.871 16.606 13.895 1.00 0.00 C ATOM 0 H THR A 22 32.516 18.370 11.886 1.00 0.00 H new ATOM 0 HA THR A 22 30.279 18.833 13.681 1.00 0.00 H new ATOM 0 HB THR A 22 31.898 18.151 15.393 1.00 0.00 H new ATOM 0 HG1 THR A 22 34.075 17.695 14.713 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.458 15.911 14.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.810 16.393 14.027 1.00 0.00 H new ATOM 0 HG23 THR A 22 32.136 16.492 12.844 1.00 0.00 H new ATOM 339 N ILE A 23 31.114 20.882 15.015 1.00 0.00 N ATOM 340 CA ILE A 23 31.348 22.238 15.499 1.00 0.00 C ATOM 341 C ILE A 23 32.837 22.482 15.717 1.00 0.00 C ATOM 342 O ILE A 23 33.352 23.552 15.394 1.00 0.00 O ATOM 343 CB ILE A 23 30.592 22.450 16.811 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.152 21.942 16.656 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.582 23.938 17.167 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.493 22.561 15.417 1.00 0.00 C ATOM 0 H ILE A 23 30.498 20.322 15.605 1.00 0.00 H new ATOM 0 HA ILE A 23 30.988 22.944 14.750 1.00 0.00 H new ATOM 0 HB ILE A 23 31.087 21.897 17.609 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.151 20.855 16.571 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.574 22.193 17.546 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.042 24.085 18.103 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.607 24.292 17.280 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.090 24.499 16.372 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.473 22.189 15.323 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.476 23.646 15.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.061 22.288 14.528 1.00 0.00 H new ATOM 358 N GLU A 24 33.526 21.483 16.262 1.00 0.00 N ATOM 359 CA GLU A 24 34.957 21.608 16.510 1.00 0.00 C ATOM 360 C GLU A 24 35.657 22.160 15.275 1.00 0.00 C ATOM 361 O GLU A 24 36.492 23.060 15.372 1.00 0.00 O ATOM 362 CB GLU A 24 35.549 20.243 16.865 1.00 0.00 C ATOM 363 CG GLU A 24 37.021 20.407 17.253 1.00 0.00 C ATOM 364 CD GLU A 24 37.617 19.055 17.628 1.00 0.00 C ATOM 365 OE1 GLU A 24 36.850 18.148 17.907 1.00 0.00 O ATOM 366 OE2 GLU A 24 38.832 18.944 17.625 1.00 0.00 O1- ATOM 0 H GLU A 24 33.121 20.588 16.537 1.00 0.00 H new ATOM 0 HA GLU A 24 35.107 22.294 17.344 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.993 19.797 17.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.459 19.565 16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.578 20.841 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.109 21.098 18.092 1.00 0.00 H new ATOM 373 N ASN A 25 35.310 21.617 14.114 1.00 0.00 N ATOM 374 CA ASN A 25 35.911 22.068 12.867 1.00 0.00 C ATOM 375 C ASN A 25 35.556 23.529 12.608 1.00 0.00 C ATOM 376 O ASN A 25 36.423 24.336 12.286 1.00 0.00 O ATOM 377 CB ASN A 25 35.419 21.204 11.705 1.00 0.00 C ATOM 378 CG ASN A 25 36.123 21.612 10.416 1.00 0.00 C ATOM 379 OD1 ASN A 25 35.843 21.058 9.353 1.00 0.00 O ATOM 380 ND2 ASN A 25 37.027 22.554 10.446 1.00 0.00 N ATOM 0 H ASN A 25 34.622 20.871 14.011 1.00 0.00 H new ATOM 0 HA ASN A 25 36.994 21.975 12.949 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.611 20.152 11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.341 21.314 11.590 1.00 0.00 H new ATOM 0 HD21 ASN A 25 37.503 22.832 9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.257 23.012 11.328 1.00 0.00 H new ATOM 387 N VAL A 26 34.275 23.861 12.753 1.00 0.00 N ATOM 388 CA VAL A 26 33.825 25.232 12.528 1.00 0.00 C ATOM 389 C VAL A 26 34.648 26.207 13.362 1.00 0.00 C ATOM 390 O VAL A 26 35.121 27.222 12.853 1.00 0.00 O ATOM 391 CB VAL A 26 32.342 25.367 12.882 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.824 26.727 12.413 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.557 24.261 12.178 1.00 0.00 C ATOM 0 H VAL A 26 33.539 23.208 13.022 1.00 0.00 H new ATOM 0 HA VAL A 26 33.962 25.471 11.473 1.00 0.00 H new ATOM 0 HB VAL A 26 32.216 25.283 13.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.768 26.821 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.387 27.520 12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.947 26.811 11.333 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.499 24.351 12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.686 24.353 11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.925 23.289 12.506 1.00 0.00 H new ATOM 403 N LYS A 27 34.835 25.887 14.637 1.00 0.00 N ATOM 404 CA LYS A 27 35.625 26.745 15.512 1.00 0.00 C ATOM 405 C LYS A 27 37.043 26.860 14.967 1.00 0.00 C ATOM 406 O LYS A 27 37.688 27.901 15.094 1.00 0.00 O ATOM 407 CB LYS A 27 35.664 26.170 16.930 1.00 0.00 C ATOM 408 CG LYS A 27 34.314 26.392 17.613 1.00 0.00 C ATOM 409 CD LYS A 27 34.336 25.751 19.002 1.00 0.00 C ATOM 410 CE LYS A 27 32.963 25.902 19.662 1.00 0.00 C ATOM 411 NZ LYS A 27 32.776 27.313 20.108 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.456 25.052 15.083 1.00 0.00 H new ATOM 0 HA LYS A 27 35.165 27.732 15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.894 25.105 16.895 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.457 26.648 17.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.107 27.459 17.696 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.514 25.958 17.013 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.598 24.696 18.922 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.101 26.223 19.619 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.178 25.625 18.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.881 25.227 20.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.771 27.480 20.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.343 27.485 20.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.083 27.959 19.353 1.00 0.00 H new ATOM 425 N ALA A 28 37.521 25.780 14.353 1.00 0.00 N ATOM 426 CA ALA A 28 38.862 25.768 13.783 1.00 0.00 C ATOM 427 C ALA A 28 38.941 26.745 12.614 1.00 0.00 C ATOM 428 O ALA A 28 39.917 27.484 12.475 1.00 0.00 O ATOM 429 CB ALA A 28 39.220 24.356 13.314 1.00 0.00 C ATOM 0 H ALA A 28 37.003 24.909 14.239 1.00 0.00 H new ATOM 0 HA ALA A 28 39.575 26.076 14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.224 24.357 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.185 23.671 14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.506 24.032 12.556 1.00 0.00 H new ATOM 435 N LYS A 29 37.900 26.757 11.784 1.00 0.00 N ATOM 436 CA LYS A 29 37.861 27.665 10.644 1.00 0.00 C ATOM 437 C LYS A 29 37.871 29.101 11.148 1.00 0.00 C ATOM 438 O LYS A 29 38.572 29.960 10.615 1.00 0.00 O ATOM 439 CB LYS A 29 36.596 27.426 9.811 1.00 0.00 C ATOM 440 CG LYS A 29 36.528 25.957 9.377 1.00 0.00 C ATOM 441 CD LYS A 29 35.535 25.800 8.223 1.00 0.00 C ATOM 442 CE LYS A 29 35.465 24.327 7.812 1.00 0.00 C ATOM 443 NZ LYS A 29 34.709 24.199 6.535 1.00 0.00 N1+ ATOM 0 H LYS A 29 37.082 26.155 11.879 1.00 0.00 H new ATOM 0 HA LYS A 29 38.733 27.483 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.712 27.683 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.599 28.074 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.515 25.614 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.223 25.334 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.549 26.152 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.845 26.411 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.471 23.924 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.979 23.744 8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.284 23.252 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.958 24.918 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.356 24.338 5.733 1.00 0.00 H new ATOM 457 N ILE A 30 37.086 29.342 12.192 1.00 0.00 N ATOM 458 CA ILE A 30 36.996 30.666 12.793 1.00 0.00 C ATOM 459 C ILE A 30 38.351 31.083 13.366 1.00 0.00 C ATOM 460 O ILE A 30 38.784 32.222 13.193 1.00 0.00 O ATOM 461 CB ILE A 30 35.932 30.644 13.899 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.543 30.518 13.265 1.00 0.00 C ATOM 463 CG2 ILE A 30 36.003 31.932 14.728 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.511 30.184 14.348 1.00 0.00 C ATOM 0 H ILE A 30 36.502 28.636 12.640 1.00 0.00 H new ATOM 0 HA ILE A 30 36.712 31.392 12.031 1.00 0.00 H new ATOM 0 HB ILE A 30 36.116 29.792 14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.274 31.449 12.767 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.550 29.739 12.502 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.243 31.904 15.509 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.989 32.017 15.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.827 32.791 14.081 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.524 30.095 13.895 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.777 29.241 14.826 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.497 30.978 15.095 1.00 0.00 H new ATOM 476 N GLN A 31 39.014 30.155 14.049 1.00 0.00 N ATOM 477 CA GLN A 31 40.317 30.435 14.646 1.00 0.00 C ATOM 478 C GLN A 31 41.261 31.065 13.622 1.00 0.00 C ATOM 479 O GLN A 31 42.334 31.555 13.972 1.00 0.00 O ATOM 480 CB GLN A 31 40.927 29.135 15.182 1.00 0.00 C ATOM 481 CG GLN A 31 42.313 29.413 15.770 1.00 0.00 C ATOM 482 CD GLN A 31 42.765 28.230 16.619 1.00 0.00 C ATOM 483 OE1 GLN A 31 42.085 27.205 16.671 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.878 28.312 17.295 1.00 0.00 N ATOM 0 H GLN A 31 38.673 29.206 14.203 1.00 0.00 H new ATOM 0 HA GLN A 31 40.178 31.140 15.465 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.278 28.706 15.946 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.003 28.401 14.380 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.029 29.590 14.967 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.285 30.318 16.377 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.440 29.162 17.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.186 27.526 17.868 1.00 0.00 H new ATOM 493 N ASP A 32 40.852 31.052 12.355 1.00 0.00 N ATOM 494 CA ASP A 32 41.669 31.625 11.282 1.00 0.00 C ATOM 495 C ASP A 32 41.177 33.020 10.907 1.00 0.00 C ATOM 496 O ASP A 32 41.973 33.907 10.598 1.00 0.00 O ATOM 497 CB ASP A 32 41.609 30.720 10.049 1.00 0.00 C ATOM 498 CG ASP A 32 42.052 29.309 10.417 1.00 0.00 C ATOM 499 OD1 ASP A 32 42.853 29.180 11.330 1.00 0.00 O1- ATOM 500 OD2 ASP A 32 41.583 28.378 9.782 1.00 0.00 O ATOM 0 H ASP A 32 39.965 30.654 12.045 1.00 0.00 H new ATOM 0 HA ASP A 32 42.696 31.701 11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.594 30.700 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.251 31.119 9.263 1.00 0.00 H new ATOM 505 N LYS A 33 39.861 33.203 10.923 1.00 0.00 N ATOM 506 CA LYS A 33 39.268 34.491 10.569 1.00 0.00 C ATOM 507 C LYS A 33 39.274 35.456 11.755 1.00 0.00 C ATOM 508 O LYS A 33 39.395 36.667 11.571 1.00 0.00 O ATOM 509 CB LYS A 33 37.831 34.282 10.087 1.00 0.00 C ATOM 510 CG LYS A 33 37.849 33.568 8.734 1.00 0.00 C ATOM 511 CD LYS A 33 36.415 33.381 8.232 1.00 0.00 C ATOM 512 CE LYS A 33 36.435 32.638 6.893 1.00 0.00 C ATOM 513 NZ LYS A 33 35.038 32.426 6.420 1.00 0.00 N1+ ATOM 0 H LYS A 33 39.186 32.481 11.176 1.00 0.00 H new ATOM 0 HA LYS A 33 39.868 34.930 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.274 33.692 10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.322 35.242 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.424 34.148 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.341 32.600 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.833 32.820 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.930 34.350 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.997 33.211 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.942 31.679 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.926 31.444 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.376 32.611 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.836 33.075 5.633 1.00 0.00 H new ATOM 527 N THR A 34 39.135 34.922 12.969 1.00 0.00 N ATOM 528 CA THR A 34 39.116 35.759 14.173 1.00 0.00 C ATOM 529 C THR A 34 40.487 35.785 14.844 1.00 0.00 C ATOM 530 O THR A 34 40.827 36.741 15.542 1.00 0.00 O ATOM 531 CB THR A 34 38.077 35.219 15.160 1.00 0.00 C ATOM 532 OG1 THR A 34 38.241 33.813 15.294 1.00 0.00 O ATOM 533 CG2 THR A 34 36.672 35.524 14.641 1.00 0.00 C ATOM 0 H THR A 34 39.035 33.923 13.146 1.00 0.00 H new ATOM 0 HA THR A 34 38.855 36.775 13.878 1.00 0.00 H new ATOM 0 HB THR A 34 38.214 35.695 16.131 1.00 0.00 H new ATOM 0 HG1 THR A 34 37.813 33.511 16.122 1.00 0.00 H new ATOM 0 HG21 THR A 34 35.933 35.139 15.344 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.548 36.602 14.538 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.531 35.048 13.670 1.00 0.00 H new ATOM 541 N GLY A 35 41.270 34.736 14.626 1.00 0.00 N ATOM 542 CA GLY A 35 42.603 34.655 15.212 1.00 0.00 C ATOM 543 C GLY A 35 42.537 34.281 16.691 1.00 0.00 C ATOM 544 O GLY A 35 43.558 33.970 17.304 1.00 0.00 O ATOM 0 H GLY A 35 41.008 33.934 14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.195 33.915 14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.111 35.613 15.099 1.00 0.00 H new ATOM 548 N LEU A 36 41.336 34.311 17.260 1.00 0.00 N ATOM 549 CA LEU A 36 41.167 33.969 18.668 1.00 0.00 C ATOM 550 C LEU A 36 41.326 32.457 18.860 1.00 0.00 C ATOM 551 O LEU A 36 40.976 31.684 17.969 1.00 0.00 O ATOM 552 CB LEU A 36 39.779 34.405 19.152 1.00 0.00 C ATOM 553 CG LEU A 36 39.571 35.901 18.875 1.00 0.00 C ATOM 554 CD1 LEU A 36 38.087 36.240 19.024 1.00 0.00 C ATOM 555 CD2 LEU A 36 40.383 36.745 19.870 1.00 0.00 C ATOM 0 H LEU A 36 40.475 34.565 16.775 1.00 0.00 H new ATOM 0 HA LEU A 36 41.928 34.488 19.250 1.00 0.00 H new ATOM 0 HB2 LEU A 36 39.009 33.823 18.646 1.00 0.00 H new ATOM 0 HB3 LEU A 36 39.678 34.207 20.219 1.00 0.00 H new ATOM 0 HG LEU A 36 39.906 36.124 17.862 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.935 37.301 18.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.506 35.653 18.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 37.761 36.008 20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 36 40.226 37.803 19.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.057 36.523 20.886 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.442 36.508 19.768 1.00 0.00 H new ATOM 567 N PRO A 37 41.840 32.008 19.986 1.00 0.00 N ATOM 568 CA PRO A 37 42.028 30.549 20.243 1.00 0.00 C ATOM 569 C PRO A 37 40.708 29.854 20.627 1.00 0.00 C ATOM 570 O PRO A 37 39.751 30.521 21.018 1.00 0.00 O ATOM 571 CB PRO A 37 43.024 30.530 21.404 1.00 0.00 C ATOM 572 CG PRO A 37 42.713 31.771 22.176 1.00 0.00 C ATOM 573 CD PRO A 37 42.302 32.818 21.133 1.00 0.00 C ATOM 0 HA PRO A 37 42.377 30.009 19.363 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.902 29.638 22.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.053 30.532 21.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.910 31.596 22.892 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.580 32.105 22.745 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.512 33.468 21.508 1.00 0.00 H new ATOM 0 HD3 PRO A 37 43.139 33.460 20.859 1.00 0.00 H new ATOM 581 N PRO A 38 40.636 28.540 20.531 1.00 0.00 N ATOM 582 CA PRO A 38 39.395 27.777 20.887 1.00 0.00 C ATOM 583 C PRO A 38 38.858 28.105 22.287 1.00 0.00 C ATOM 584 O PRO A 38 37.649 28.062 22.518 1.00 0.00 O ATOM 585 CB PRO A 38 39.833 26.303 20.815 1.00 0.00 C ATOM 586 CG PRO A 38 41.005 26.287 19.890 1.00 0.00 C ATOM 587 CD PRO A 38 41.711 27.633 20.070 1.00 0.00 C ATOM 0 HA PRO A 38 38.577 28.029 20.213 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.104 25.924 21.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.028 25.671 20.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.676 25.461 20.126 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.684 26.151 18.857 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.518 27.566 20.800 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.154 27.980 19.136 1.00 0.00 H new ATOM 595 N ASP A 39 39.759 28.402 23.221 1.00 0.00 N ATOM 596 CA ASP A 39 39.349 28.696 24.593 1.00 0.00 C ATOM 597 C ASP A 39 38.544 29.992 24.680 1.00 0.00 C ATOM 598 O ASP A 39 37.862 30.234 25.676 1.00 0.00 O ATOM 599 CB ASP A 39 40.574 28.787 25.509 1.00 0.00 C ATOM 600 CG ASP A 39 41.509 29.895 25.042 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.290 31.030 25.430 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 42.435 29.590 24.311 1.00 0.00 O ATOM 0 H ASP A 39 40.765 28.445 23.057 1.00 0.00 H new ATOM 0 HA ASP A 39 38.708 27.878 24.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.256 28.980 26.534 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.103 27.834 25.514 1.00 0.00 H new ATOM 607 N GLN A 40 38.613 30.821 23.639 1.00 0.00 N ATOM 608 CA GLN A 40 37.867 32.087 23.625 1.00 0.00 C ATOM 609 C GLN A 40 36.583 31.944 22.812 1.00 0.00 C ATOM 610 O GLN A 40 35.484 32.149 23.328 1.00 0.00 O ATOM 611 CB GLN A 40 38.729 33.211 23.028 1.00 0.00 C ATOM 612 CG GLN A 40 39.772 33.672 24.051 1.00 0.00 C ATOM 613 CD GLN A 40 40.508 34.902 23.526 1.00 0.00 C ATOM 614 OE1 GLN A 40 39.876 35.886 23.142 1.00 0.00 O ATOM 615 NE2 GLN A 40 41.813 34.906 23.488 1.00 0.00 N ATOM 0 H GLN A 40 39.169 30.646 22.802 1.00 0.00 H new ATOM 0 HA GLN A 40 37.610 32.340 24.654 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.226 32.858 22.124 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.097 34.050 22.738 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.286 33.905 24.998 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.482 32.869 24.246 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.335 34.090 23.807 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.311 35.725 23.140 1.00 0.00 H new ATOM 624 N GLN A 41 36.730 31.607 21.534 1.00 0.00 N ATOM 625 CA GLN A 41 35.577 31.456 20.648 1.00 0.00 C ATOM 626 C GLN A 41 34.401 30.794 21.357 1.00 0.00 C ATOM 627 O GLN A 41 34.575 29.964 22.249 1.00 0.00 O ATOM 628 CB GLN A 41 35.964 30.623 19.419 1.00 0.00 C ATOM 629 CG GLN A 41 36.813 31.466 18.465 1.00 0.00 C ATOM 630 CD GLN A 41 35.971 32.570 17.828 1.00 0.00 C ATOM 631 OE1 GLN A 41 36.499 33.623 17.470 1.00 0.00 O ATOM 632 NE2 GLN A 41 34.688 32.393 17.664 1.00 0.00 N ATOM 0 H GLN A 41 37.631 31.434 21.089 1.00 0.00 H new ATOM 0 HA GLN A 41 35.269 32.455 20.339 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.520 29.738 19.729 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.067 30.273 18.909 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.650 31.906 19.007 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.236 30.830 17.688 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.252 31.520 17.961 1.00 0.00 H new ATOM 0 HE22 GLN A 41 34.122 33.127 17.239 1.00 0.00 H new ATOM 641 N ARG A 42 33.200 31.179 20.937 1.00 0.00 N ATOM 642 CA ARG A 42 31.968 30.637 21.508 1.00 0.00 C ATOM 643 C ARG A 42 30.847 30.709 20.472 1.00 0.00 C ATOM 644 O ARG A 42 30.691 31.723 19.790 1.00 0.00 O ATOM 645 CB ARG A 42 31.578 31.435 22.754 1.00 0.00 C ATOM 646 CG ARG A 42 30.365 30.786 23.427 1.00 0.00 C ATOM 647 CD ARG A 42 29.979 31.597 24.666 1.00 0.00 C ATOM 648 NE ARG A 42 28.937 30.907 25.423 1.00 0.00 N ATOM 649 CZ ARG A 42 29.241 29.971 26.318 1.00 0.00 C ATOM 650 NH1 ARG A 42 30.488 29.646 26.526 1.00 0.00 N ATOM 651 NH2 ARG A 42 28.293 29.378 26.990 1.00 0.00 N1+ ATOM 0 H ARG A 42 33.052 31.868 20.199 1.00 0.00 H new ATOM 0 HA ARG A 42 32.130 29.596 21.790 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.416 31.472 23.451 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.346 32.464 22.480 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.528 30.744 22.730 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.597 29.759 23.709 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.855 31.749 25.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.627 32.584 24.367 1.00 0.00 H new ATOM 0 HE ARG A 42 27.959 31.147 25.262 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.230 30.110 26.002 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.720 28.928 27.212 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.318 29.632 26.829 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.526 28.660 27.676 1.00 0.00 H new ATOM 665 N LEU A 43 30.078 29.624 20.343 1.00 0.00 N ATOM 666 CA LEU A 43 28.982 29.571 19.364 1.00 0.00 C ATOM 667 C LEU A 43 27.656 29.208 20.028 1.00 0.00 C ATOM 668 O LEU A 43 27.574 28.261 20.810 1.00 0.00 O ATOM 669 CB LEU A 43 29.303 28.527 18.291 1.00 0.00 C ATOM 670 CG LEU A 43 30.674 28.817 17.665 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.062 27.664 16.734 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.621 30.126 16.862 1.00 0.00 C ATOM 0 H LEU A 43 30.190 28.776 20.898 1.00 0.00 H new ATOM 0 HA LEU A 43 28.885 30.560 18.916 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.299 27.530 18.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.533 28.538 17.520 1.00 0.00 H new ATOM 0 HG LEU A 43 31.415 28.916 18.458 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.036 27.868 16.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.111 26.737 17.304 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.316 27.566 15.946 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.599 30.323 16.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.878 30.037 16.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.349 30.948 17.524 1.00 0.00 H new ATOM 684 N ILE A 44 26.610 29.961 19.682 1.00 0.00 N ATOM 685 CA ILE A 44 25.265 29.720 20.212 1.00 0.00 C ATOM 686 C ILE A 44 24.236 29.932 19.103 1.00 0.00 C ATOM 687 O ILE A 44 24.144 31.018 18.533 1.00 0.00 O ATOM 688 CB ILE A 44 24.954 30.671 21.380 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.791 30.288 22.607 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.464 30.581 21.738 1.00 0.00 C ATOM 691 CD1 ILE A 44 25.803 31.453 23.599 1.00 0.00 C ATOM 0 H ILE A 44 26.669 30.747 19.034 1.00 0.00 H new ATOM 0 HA ILE A 44 25.218 28.694 20.577 1.00 0.00 H new ATOM 0 HB ILE A 44 25.199 31.690 21.079 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.377 29.398 23.080 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.809 30.043 22.304 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.247 31.256 22.566 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.864 30.864 20.873 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.221 29.559 22.030 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.398 31.182 24.471 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.237 32.332 23.123 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.783 31.676 23.910 1.00 0.00 H new ATOM 703 N PHE A 45 23.456 28.891 18.810 1.00 0.00 N ATOM 704 CA PHE A 45 22.424 28.974 17.774 1.00 0.00 C ATOM 705 C PHE A 45 21.041 28.877 18.405 1.00 0.00 C ATOM 706 O PHE A 45 20.797 28.026 19.260 1.00 0.00 O ATOM 707 CB PHE A 45 22.598 27.837 16.767 1.00 0.00 C ATOM 708 CG PHE A 45 21.603 28.019 15.641 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.719 29.115 14.779 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.560 27.102 15.467 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.796 29.293 13.743 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.637 27.279 14.429 1.00 0.00 C ATOM 713 CZ PHE A 45 19.755 28.375 13.567 1.00 0.00 C ATOM 0 H PHE A 45 23.518 27.984 19.273 1.00 0.00 H new ATOM 0 HA PHE A 45 22.523 29.931 17.261 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.615 27.834 16.374 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.442 26.875 17.255 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.522 29.824 14.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.467 26.257 16.134 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.887 30.140 13.079 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.834 26.570 14.294 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.043 28.512 12.767 1.00 0.00 H new ATOM 723 N ALA A 46 20.137 29.752 17.980 1.00 0.00 N ATOM 724 CA ALA A 46 18.781 29.750 18.515 1.00 0.00 C ATOM 725 C ALA A 46 18.808 29.683 20.040 1.00 0.00 C ATOM 726 O ALA A 46 17.866 29.196 20.667 1.00 0.00 O ATOM 727 CB ALA A 46 18.003 28.556 17.955 1.00 0.00 C ATOM 0 H ALA A 46 20.316 30.465 17.273 1.00 0.00 H new ATOM 0 HA ALA A 46 18.287 30.674 18.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.990 28.560 18.358 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.961 28.627 16.868 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.503 27.630 18.239 1.00 0.00 H new ATOM 733 N GLY A 47 19.895 30.181 20.631 1.00 0.00 N ATOM 734 CA GLY A 47 20.040 30.184 22.087 1.00 0.00 C ATOM 735 C GLY A 47 20.728 28.913 22.581 1.00 0.00 C ATOM 736 O GLY A 47 21.291 28.889 23.675 1.00 0.00 O ATOM 0 H GLY A 47 20.684 30.585 20.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.618 31.055 22.395 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.058 30.272 22.552 1.00 0.00 H new ATOM 740 N LYS A 48 20.673 27.859 21.775 1.00 0.00 N ATOM 741 CA LYS A 48 21.288 26.590 22.151 1.00 0.00 C ATOM 742 C LYS A 48 22.811 26.676 22.085 1.00 0.00 C ATOM 743 O LYS A 48 23.375 27.148 21.099 1.00 0.00 O ATOM 744 CB LYS A 48 20.799 25.476 21.223 1.00 0.00 C ATOM 745 CG LYS A 48 19.321 25.191 21.494 1.00 0.00 C ATOM 746 CD LYS A 48 18.815 24.137 20.507 1.00 0.00 C ATOM 747 CE LYS A 48 17.326 23.880 20.751 1.00 0.00 C ATOM 748 NZ LYS A 48 16.872 22.737 19.909 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.213 27.856 20.864 1.00 0.00 H new ATOM 0 HA LYS A 48 20.998 26.366 23.178 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.938 25.769 20.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.388 24.573 21.381 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.189 24.839 22.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.739 26.107 21.394 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.973 24.477 19.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.379 23.212 20.626 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.152 23.660 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.748 24.773 20.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.860 22.563 20.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.024 22.963 18.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.415 21.886 20.158 1.00 0.00 H new ATOM 762 N GLN A 49 23.467 26.210 23.147 1.00 0.00 N ATOM 763 CA GLN A 49 24.925 26.231 23.205 1.00 0.00 C ATOM 764 C GLN A 49 25.506 25.036 22.460 1.00 0.00 C ATOM 765 O GLN A 49 25.083 23.898 22.664 1.00 0.00 O ATOM 766 CB GLN A 49 25.393 26.204 24.664 1.00 0.00 C ATOM 767 CG GLN A 49 26.923 26.196 24.710 1.00 0.00 C ATOM 768 CD GLN A 49 27.403 26.398 26.144 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.606 26.718 27.027 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.666 26.233 26.430 1.00 0.00 N ATOM 0 H GLN A 49 23.015 25.816 23.972 1.00 0.00 H new ATOM 0 HA GLN A 49 25.276 27.147 22.730 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.007 27.073 25.197 1.00 0.00 H new ATOM 0 HB3 GLN A 49 24.999 25.321 25.167 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.302 25.251 24.321 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.318 26.985 24.071 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.324 25.968 25.697 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.994 26.369 27.386 1.00 0.00 H new ATOM 779 N LEU A 50 26.479 25.306 21.596 1.00 0.00 N ATOM 780 CA LEU A 50 27.119 24.250 20.816 1.00 0.00 C ATOM 781 C LEU A 50 28.312 23.676 21.572 1.00 0.00 C ATOM 782 O LEU A 50 29.064 24.406 22.218 1.00 0.00 O ATOM 783 CB LEU A 50 27.587 24.808 19.468 1.00 0.00 C ATOM 784 CG LEU A 50 26.455 25.599 18.798 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.849 25.912 17.352 1.00 0.00 C ATOM 786 CD2 LEU A 50 25.160 24.776 18.805 1.00 0.00 C ATOM 0 H LEU A 50 26.841 26.243 21.418 1.00 0.00 H new ATOM 0 HA LEU A 50 26.392 23.455 20.648 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.453 25.453 19.615 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.903 23.992 18.819 1.00 0.00 H new ATOM 0 HG LEU A 50 26.290 26.525 19.348 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.049 26.474 16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.764 26.504 17.344 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.015 24.981 16.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.364 25.347 18.327 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.317 23.846 18.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.878 24.550 19.833 1.00 0.00 H new ATOM 798 N GLU A 51 28.476 22.357 21.485 1.00 0.00 N ATOM 799 CA GLU A 51 29.580 21.671 22.160 1.00 0.00 C ATOM 800 C GLU A 51 30.183 20.613 21.243 1.00 0.00 C ATOM 801 O GLU A 51 29.479 20.001 20.438 1.00 0.00 O ATOM 802 CB GLU A 51 29.071 21.006 23.442 1.00 0.00 C ATOM 803 CG GLU A 51 28.640 22.082 24.443 1.00 0.00 C ATOM 804 CD GLU A 51 28.012 21.431 25.671 1.00 0.00 C ATOM 805 OE1 GLU A 51 27.836 20.224 25.652 1.00 0.00 O1- ATOM 806 OE2 GLU A 51 27.718 22.150 26.612 1.00 0.00 O ATOM 0 H GLU A 51 27.860 21.741 20.955 1.00 0.00 H new ATOM 0 HA GLU A 51 30.347 22.404 22.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.231 20.350 23.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.853 20.384 23.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.501 22.681 24.739 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.926 22.760 23.976 1.00 0.00 H new ATOM 813 N ASP A 52 31.488 20.404 21.366 1.00 0.00 N ATOM 814 CA ASP A 52 32.176 19.419 20.538 1.00 0.00 C ATOM 815 C ASP A 52 31.641 18.018 20.814 1.00 0.00 C ATOM 816 O ASP A 52 31.924 17.431 21.858 1.00 0.00 O ATOM 817 CB ASP A 52 33.679 19.454 20.824 1.00 0.00 C ATOM 818 CG ASP A 52 34.283 20.746 20.283 1.00 0.00 C ATOM 819 OD1 ASP A 52 33.584 21.452 19.574 1.00 0.00 O1- ATOM 820 OD2 ASP A 52 35.434 21.011 20.586 1.00 0.00 O ATOM 0 H ASP A 52 32.088 20.899 22.026 1.00 0.00 H new ATOM 0 HA ASP A 52 31.997 19.666 19.492 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.855 19.382 21.897 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.165 18.594 20.363 1.00 0.00 H new ATOM 825 N GLY A 53 30.866 17.484 19.870 1.00 0.00 N ATOM 826 CA GLY A 53 30.298 16.145 20.020 1.00 0.00 C ATOM 827 C GLY A 53 28.935 16.046 19.342 1.00 0.00 C ATOM 828 O GLY A 53 28.329 14.974 19.302 1.00 0.00 O ATOM 0 H GLY A 53 30.619 17.954 18.999 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.976 15.409 19.589 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.199 15.905 21.079 1.00 0.00 H new ATOM 832 N ARG A 54 28.453 17.168 18.809 1.00 0.00 N ATOM 833 CA ARG A 54 27.152 17.201 18.132 1.00 0.00 C ATOM 834 C ARG A 54 27.282 17.852 16.759 1.00 0.00 C ATOM 835 O ARG A 54 27.967 18.861 16.603 1.00 0.00 O ATOM 836 CB ARG A 54 26.150 17.991 18.976 1.00 0.00 C ATOM 837 CG ARG A 54 25.780 17.185 20.224 1.00 0.00 C ATOM 838 CD ARG A 54 24.815 17.998 21.088 1.00 0.00 C ATOM 839 NE ARG A 54 24.369 17.205 22.228 1.00 0.00 N ATOM 840 CZ ARG A 54 23.297 17.555 22.932 1.00 0.00 C ATOM 841 NH1 ARG A 54 22.625 18.628 22.611 1.00 0.00 N ATOM 842 NH2 ARG A 54 22.915 16.827 23.946 1.00 0.00 N1+ ATOM 0 H ARG A 54 28.940 18.064 18.831 1.00 0.00 H new ATOM 0 HA ARG A 54 26.799 16.177 18.006 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.579 18.950 19.265 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.256 18.205 18.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.319 16.240 19.936 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.678 16.942 20.793 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.306 18.907 21.437 1.00 0.00 H new ATOM 0 HD3 ARG A 54 23.956 18.308 20.493 1.00 0.00 H new ATOM 0 HE ARG A 54 24.889 16.367 22.490 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.923 19.198 21.819 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.803 18.896 23.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.439 15.989 24.198 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.092 17.096 24.486 1.00 0.00 H new ATOM 856 N THR A 55 26.620 17.266 15.765 1.00 0.00 N ATOM 857 CA THR A 55 26.664 17.796 14.403 1.00 0.00 C ATOM 858 C THR A 55 25.585 18.858 14.206 1.00 0.00 C ATOM 859 O THR A 55 24.852 19.193 15.136 1.00 0.00 O ATOM 860 CB THR A 55 26.447 16.662 13.396 1.00 0.00 C ATOM 861 OG1 THR A 55 25.344 15.868 13.813 1.00 0.00 O ATOM 862 CG2 THR A 55 27.703 15.793 13.317 1.00 0.00 C ATOM 0 H THR A 55 26.049 16.428 15.875 1.00 0.00 H new ATOM 0 HA THR A 55 27.642 18.249 14.241 1.00 0.00 H new ATOM 0 HB THR A 55 26.242 17.085 12.412 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.201 15.142 13.170 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.544 14.988 12.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.548 16.403 12.997 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.914 15.368 14.298 1.00 0.00 H new ATOM 870 N LEU A 56 25.492 19.378 12.988 1.00 0.00 N ATOM 871 CA LEU A 56 24.493 20.395 12.673 1.00 0.00 C ATOM 872 C LEU A 56 23.094 19.792 12.689 1.00 0.00 C ATOM 873 O LEU A 56 22.128 20.442 13.090 1.00 0.00 O ATOM 874 CB LEU A 56 24.765 20.983 11.291 1.00 0.00 C ATOM 875 CG LEU A 56 26.214 21.475 11.207 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.479 22.035 9.806 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.456 22.572 12.258 1.00 0.00 C ATOM 0 H LEU A 56 26.092 19.115 12.206 1.00 0.00 H new ATOM 0 HA LEU A 56 24.555 21.180 13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.583 20.230 10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.080 21.808 11.097 1.00 0.00 H new ATOM 0 HG LEU A 56 26.890 20.642 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.509 22.386 9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.316 21.253 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 56 25.800 22.866 9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.488 22.917 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.781 23.408 12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.270 22.169 13.254 1.00 0.00 H new ATOM 889 N SER A 57 22.996 18.544 12.249 1.00 0.00 N ATOM 890 CA SER A 57 21.711 17.854 12.210 1.00 0.00 C ATOM 891 C SER A 57 21.137 17.708 13.615 1.00 0.00 C ATOM 892 O SER A 57 19.940 17.478 13.786 1.00 0.00 O ATOM 893 CB SER A 57 21.876 16.471 11.578 1.00 0.00 C ATOM 894 OG SER A 57 20.594 15.881 11.402 1.00 0.00 O ATOM 0 H SER A 57 23.785 17.991 11.916 1.00 0.00 H new ATOM 0 HA SER A 57 21.022 18.447 11.608 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.386 16.555 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.496 15.839 12.214 1.00 0.00 H new ATOM 0 HG SER A 57 20.695 14.995 10.996 1.00 0.00 H new ATOM 900 N ASP A 58 21.997 17.852 14.619 1.00 0.00 N ATOM 901 CA ASP A 58 21.564 17.743 16.010 1.00 0.00 C ATOM 902 C ASP A 58 21.024 19.082 16.500 1.00 0.00 C ATOM 903 O ASP A 58 19.980 19.144 17.148 1.00 0.00 O ATOM 904 CB ASP A 58 22.740 17.317 16.890 1.00 0.00 C ATOM 905 CG ASP A 58 23.075 15.849 16.645 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.262 15.167 16.043 1.00 0.00 O1- ATOM 907 OD2 ASP A 58 24.141 15.428 17.063 1.00 0.00 O ATOM 0 H ASP A 58 22.992 18.043 14.498 1.00 0.00 H new ATOM 0 HA ASP A 58 20.774 16.994 16.071 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.610 17.937 16.673 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.493 17.471 17.940 1.00 0.00 H new ATOM 912 N TYR A 59 21.745 20.152 16.182 1.00 0.00 N ATOM 913 CA TYR A 59 21.336 21.492 16.589 1.00 0.00 C ATOM 914 C TYR A 59 20.273 22.032 15.638 1.00 0.00 C ATOM 915 O TYR A 59 19.870 23.191 15.735 1.00 0.00 O ATOM 916 CB TYR A 59 22.540 22.434 16.582 1.00 0.00 C ATOM 917 CG TYR A 59 23.546 22.005 17.628 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.216 22.084 18.987 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.813 21.547 17.241 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.151 21.705 19.958 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.750 21.171 18.213 1.00 0.00 C ATOM 922 CZ TYR A 59 25.418 21.250 19.571 1.00 0.00 C ATOM 923 OH TYR A 59 26.341 20.885 20.529 1.00 0.00 O ATOM 0 H TYR A 59 22.612 20.118 15.646 1.00 0.00 H new ATOM 0 HA TYR A 59 20.924 21.434 17.597 1.00 0.00 H new ATOM 0 HB2 TYR A 59 23.006 22.433 15.597 1.00 0.00 H new ATOM 0 HB3 TYR A 59 22.213 23.455 16.779 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.240 22.437 19.286 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.067 21.484 16.193 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.895 21.764 21.006 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.727 20.821 17.915 1.00 0.00 H new ATOM 0 HH TYR A 59 25.936 20.959 21.418 1.00 0.00 H new ATOM 933 N ASN A 60 19.836 21.184 14.714 1.00 0.00 N ATOM 934 CA ASN A 60 18.828 21.578 13.735 1.00 0.00 C ATOM 935 C ASN A 60 19.290 22.811 12.965 1.00 0.00 C ATOM 936 O ASN A 60 18.473 23.580 12.457 1.00 0.00 O ATOM 937 CB ASN A 60 17.499 21.879 14.434 1.00 0.00 C ATOM 938 CG ASN A 60 16.868 20.586 14.935 1.00 0.00 C ATOM 939 OD1 ASN A 60 17.297 19.495 14.558 1.00 0.00 O ATOM 940 ND2 ASN A 60 15.864 20.642 15.768 1.00 0.00 N ATOM 0 H ASN A 60 20.162 20.222 14.622 1.00 0.00 H new ATOM 0 HA ASN A 60 18.687 20.753 13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.664 22.560 15.269 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.821 22.380 13.743 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.434 19.781 16.107 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.510 21.546 16.080 1.00 0.00 H new ATOM 947 N ILE A 61 20.604 22.992 12.884 1.00 0.00 N ATOM 948 CA ILE A 61 21.168 24.134 12.176 1.00 0.00 C ATOM 949 C ILE A 61 21.053 23.937 10.665 1.00 0.00 C ATOM 950 O ILE A 61 21.475 22.914 10.125 1.00 0.00 O ATOM 951 CB ILE A 61 22.637 24.319 12.590 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.684 24.885 14.013 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.342 25.290 11.635 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.111 24.803 14.559 1.00 0.00 C ATOM 0 H ILE A 61 21.295 22.366 13.298 1.00 0.00 H new ATOM 0 HA ILE A 61 20.609 25.032 12.441 1.00 0.00 H new ATOM 0 HB ILE A 61 23.145 23.355 12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.344 25.921 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.006 24.327 14.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.381 25.411 11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.306 24.893 10.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.840 26.257 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.137 25.207 15.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.435 23.762 14.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.779 25.381 13.920 1.00 0.00 H new ATOM 966 N GLN A 62 20.472 24.933 9.992 1.00 0.00 N ATOM 967 CA GLN A 62 20.288 24.888 8.540 1.00 0.00 C ATOM 968 C GLN A 62 21.160 25.940 7.864 1.00 0.00 C ATOM 969 O GLN A 62 22.215 26.311 8.378 1.00 0.00 O ATOM 970 CB GLN A 62 18.822 25.150 8.190 1.00 0.00 C ATOM 971 CG GLN A 62 17.922 24.256 9.045 1.00 0.00 C ATOM 972 CD GLN A 62 16.491 24.309 8.523 1.00 0.00 C ATOM 973 OE1 GLN A 62 15.823 23.279 8.436 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.978 25.455 8.169 1.00 0.00 N ATOM 0 H GLN A 62 20.120 25.783 10.432 1.00 0.00 H new ATOM 0 HA GLN A 62 20.577 23.899 8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.579 26.199 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.649 24.952 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.288 23.230 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.952 24.583 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.534 26.307 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.021 25.499 7.819 1.00 0.00 H new ATOM 983 N LYS A 63 20.713 26.416 6.705 1.00 0.00 N ATOM 984 CA LYS A 63 21.459 27.427 5.960 1.00 0.00 C ATOM 985 C LYS A 63 21.145 28.827 6.487 1.00 0.00 C ATOM 986 O LYS A 63 20.081 29.064 7.059 1.00 0.00 O ATOM 987 CB LYS A 63 21.104 27.335 4.469 1.00 0.00 C ATOM 988 CG LYS A 63 22.213 27.973 3.623 1.00 0.00 C ATOM 989 CD LYS A 63 21.904 27.766 2.140 1.00 0.00 C ATOM 990 CE LYS A 63 22.987 28.438 1.294 1.00 0.00 C ATOM 991 NZ LYS A 63 22.775 28.098 -0.141 1.00 0.00 N1+ ATOM 0 H LYS A 63 19.843 26.120 6.263 1.00 0.00 H new ATOM 0 HA LYS A 63 22.525 27.243 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.972 26.292 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.156 27.840 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.288 29.038 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.176 27.527 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.859 26.701 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.927 28.185 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.954 29.519 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.974 28.106 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.510 28.554 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.828 27.067 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.839 28.436 -0.443 1.00 0.00 H new ATOM 1005 N GLU A 64 22.085 29.748 6.292 1.00 0.00 N ATOM 1006 CA GLU A 64 21.914 31.123 6.749 1.00 0.00 C ATOM 1007 C GLU A 64 21.624 31.159 8.248 1.00 0.00 C ATOM 1008 O GLU A 64 21.075 32.135 8.761 1.00 0.00 O ATOM 1009 CB GLU A 64 20.773 31.802 5.982 1.00 0.00 C ATOM 1010 CG GLU A 64 20.810 31.367 4.517 1.00 0.00 C ATOM 1011 CD GLU A 64 19.927 32.284 3.676 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.478 33.289 4.202 1.00 0.00 O ATOM 1013 OE2 GLU A 64 19.713 31.966 2.518 1.00 0.00 O1- ATOM 0 H GLU A 64 22.972 29.567 5.821 1.00 0.00 H new ATOM 0 HA GLU A 64 22.841 31.663 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.814 31.536 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.868 32.886 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.835 31.396 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.467 30.336 4.427 1.00 0.00 H new ATOM 1020 N SER A 65 22.003 30.091 8.945 1.00 0.00 N ATOM 1021 CA SER A 65 21.787 30.015 10.384 1.00 0.00 C ATOM 1022 C SER A 65 22.643 31.064 11.094 1.00 0.00 C ATOM 1023 O SER A 65 23.857 31.113 10.904 1.00 0.00 O ATOM 1024 CB SER A 65 22.136 28.605 10.878 1.00 0.00 C ATOM 1025 OG SER A 65 20.971 27.792 10.823 1.00 0.00 O ATOM 0 H SER A 65 22.458 29.273 8.539 1.00 0.00 H new ATOM 0 HA SER A 65 20.740 30.217 10.609 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.925 28.175 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.517 28.647 11.898 1.00 0.00 H new ATOM 0 HG SER A 65 20.489 27.853 11.674 1.00 0.00 H new ATOM 1031 N THR A 66 22.001 31.917 11.891 1.00 0.00 N ATOM 1032 CA THR A 66 22.712 32.978 12.600 1.00 0.00 C ATOM 1033 C THR A 66 23.345 32.465 13.888 1.00 0.00 C ATOM 1034 O THR A 66 22.648 32.132 14.846 1.00 0.00 O ATOM 1035 CB THR A 66 21.734 34.120 12.919 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.448 34.838 11.727 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.342 35.072 13.955 1.00 0.00 C ATOM 0 H THR A 66 20.996 31.894 12.061 1.00 0.00 H new ATOM 0 HA THR A 66 23.514 33.341 11.957 1.00 0.00 H new ATOM 0 HB THR A 66 20.816 33.697 13.328 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.823 35.566 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.637 35.875 14.170 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.557 34.523 14.872 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.266 35.496 13.561 1.00 0.00 H new ATOM 1045 N LEU A 67 24.675 32.443 13.911 1.00 0.00 N ATOM 1046 CA LEU A 67 25.411 32.005 15.091 1.00 0.00 C ATOM 1047 C LEU A 67 25.683 33.214 15.983 1.00 0.00 C ATOM 1048 O LEU A 67 25.092 34.275 15.786 1.00 0.00 O ATOM 1049 CB LEU A 67 26.740 31.357 14.676 1.00 0.00 C ATOM 1050 CG LEU A 67 26.492 30.030 13.931 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.808 29.011 14.861 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.613 30.271 12.689 1.00 0.00 C ATOM 0 H LEU A 67 25.264 32.723 13.126 1.00 0.00 H new ATOM 0 HA LEU A 67 24.819 31.269 15.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.299 32.040 14.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.352 31.175 15.559 1.00 0.00 H new ATOM 0 HG LEU A 67 27.455 29.629 13.614 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.640 28.080 14.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.447 28.819 15.723 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.852 29.411 15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.446 29.326 12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.655 30.691 12.997 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.115 30.968 12.018 1.00 0.00 H new ATOM 1064 N HIS A 68 26.574 33.060 16.961 1.00 0.00 N ATOM 1065 CA HIS A 68 26.902 34.164 17.867 1.00 0.00 C ATOM 1066 C HIS A 68 28.355 34.091 18.321 1.00 0.00 C ATOM 1067 O HIS A 68 28.743 33.174 19.044 1.00 0.00 O ATOM 1068 CB HIS A 68 26.000 34.113 19.100 1.00 0.00 C ATOM 1069 CG HIS A 68 24.580 34.412 18.712 1.00 0.00 C ATOM 1070 ND1 HIS A 68 23.511 33.670 19.192 1.00 0.00 N ATOM 1071 CD2 HIS A 68 24.032 35.373 17.902 1.00 0.00 C ATOM 1072 CE1 HIS A 68 22.386 34.194 18.673 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.647 35.236 17.879 1.00 0.00 N ATOM 0 H HIS A 68 27.078 32.193 17.147 1.00 0.00 H new ATOM 0 HA HIS A 68 26.746 35.096 17.324 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.059 33.128 19.563 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.343 34.835 19.841 1.00 0.00 H new ATOM 0 HD1 HIS A 68 23.568 32.872 19.824 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.591 36.123 17.363 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.394 33.818 18.874 1.00 0.00 H new ATOM 1081 N ILE A 69 29.153 35.069 17.898 1.00 0.00 N ATOM 1082 CA ILE A 69 30.567 35.117 18.274 1.00 0.00 C ATOM 1083 C ILE A 69 30.756 36.024 19.486 1.00 0.00 C ATOM 1084 O ILE A 69 30.723 37.249 19.366 1.00 0.00 O ATOM 1085 CB ILE A 69 31.402 35.653 17.108 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.113 34.834 15.847 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.886 35.537 17.457 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.766 35.511 14.640 1.00 0.00 C ATOM 0 H ILE A 69 28.848 35.836 17.298 1.00 0.00 H new ATOM 0 HA ILE A 69 30.895 34.108 18.522 1.00 0.00 H new ATOM 0 HB ILE A 69 31.145 36.697 16.927 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.498 33.821 15.962 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.037 34.750 15.693 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.485 35.917 16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.095 36.119 18.354 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.137 34.492 17.636 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.561 34.929 13.741 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.360 36.516 14.522 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.843 35.571 14.795 1.00 0.00 H new ATOM 1100 N VAL A 70 30.951 35.417 20.655 1.00 0.00 N ATOM 1101 CA VAL A 70 31.143 36.178 21.891 1.00 0.00 C ATOM 1102 C VAL A 70 32.630 36.330 22.202 1.00 0.00 C ATOM 1103 O VAL A 70 33.344 35.341 22.364 1.00 0.00 O ATOM 1104 CB VAL A 70 30.446 35.459 23.050 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.277 36.420 24.228 1.00 0.00 C ATOM 1106 CG2 VAL A 70 29.069 34.974 22.589 1.00 0.00 C ATOM 0 H VAL A 70 30.980 34.404 20.774 1.00 0.00 H new ATOM 0 HA VAL A 70 30.711 37.170 21.761 1.00 0.00 H new ATOM 0 HB VAL A 70 31.051 34.608 23.364 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.781 35.904 25.050 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.256 36.769 24.557 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.674 37.273 23.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.570 34.462 23.411 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.469 35.828 22.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.187 34.287 21.751 1.00 0.00 H new