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= -0.0265 X(o=-0.033,f=-0.26) USER MOD Set 1.2: A 69 ASN : amide:sc=-0.00642 K(o=-0.033,f=-0.95) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 15 CYS SG : rot 21:sc= 0.416 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 30 SER OG : rot -95:sc= 0.175 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000345) USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= -0.0145 (180deg=-0.697) USER MOD Single : A 36 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.5) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= -0.729 (180deg=-0.765) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 GLN : amide:sc= -0.0325 K(o=-0.033,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 5.783 15.147 11.454 1.00 0.00 N ATOM 67 CA LEU A 8 6.312 14.984 12.804 1.00 0.00 C ATOM 68 C LEU A 8 5.902 13.637 13.391 1.00 0.00 C ATOM 69 O LEU A 8 4.767 13.193 13.217 1.00 0.00 O ATOM 70 CB LEU A 8 5.820 16.117 13.706 1.00 0.00 C ATOM 71 CG LEU A 8 6.108 17.537 13.217 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.348 18.554 14.054 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.603 17.822 13.257 1.00 0.00 C ATOM 0 HA LEU A 8 7.400 15.019 12.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.743 16.010 13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.273 15.994 14.690 1.00 0.00 H new ATOM 0 HG LEU A 8 5.769 17.621 12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.565 19.559 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.278 18.363 13.975 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.656 18.470 15.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.789 18.837 12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.966 17.720 14.280 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.126 17.114 12.614 1.00 0.00 H new ATOM 85 N ARG A 9 6.832 12.993 14.089 1.00 0.00 N ATOM 86 CA ARG A 9 6.566 11.697 14.702 1.00 0.00 C ATOM 87 C ARG A 9 7.137 11.638 16.116 1.00 0.00 C ATOM 88 O ARG A 9 8.251 12.101 16.366 1.00 0.00 O ATOM 89 CB ARG A 9 7.164 10.575 13.852 1.00 0.00 C ATOM 90 CG ARG A 9 6.531 10.451 12.476 1.00 0.00 C ATOM 91 CD ARG A 9 5.117 9.897 12.560 1.00 0.00 C ATOM 92 NE ARG A 9 4.284 10.351 11.450 1.00 0.00 N ATOM 93 CZ ARG A 9 2.966 10.193 11.408 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.334 9.597 12.409 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.277 10.633 10.363 1.00 0.00 N ATOM 0 H ARG A 9 7.776 13.347 14.244 1.00 0.00 H new ATOM 0 HA ARG A 9 5.486 11.564 14.759 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.234 10.749 13.736 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.050 9.629 14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.512 11.428 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.142 9.799 11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.154 8.808 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.663 10.203 13.503 1.00 0.00 H new ATOM 0 HE ARG A 9 4.739 10.815 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.860 9.258 13.215 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.322 9.477 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.760 11.093 9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.265 10.511 10.332 1.00 0.00 H new ATOM 109 N ARG A 10 6.368 11.067 17.036 1.00 0.00 N ATOM 110 CA ARG A 10 6.796 10.949 18.425 1.00 0.00 C ATOM 111 C ARG A 10 7.260 9.528 18.732 1.00 0.00 C ATOM 112 O ARG A 10 6.616 8.556 18.339 1.00 0.00 O ATOM 113 CB ARG A 10 5.656 11.340 19.367 1.00 0.00 C ATOM 114 CG ARG A 10 5.608 12.826 19.682 1.00 0.00 C ATOM 115 CD ARG A 10 4.230 13.248 20.168 1.00 0.00 C ATOM 116 NE ARG A 10 3.249 13.263 19.086 1.00 0.00 N ATOM 117 CZ ARG A 10 2.060 13.848 19.180 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.707 14.463 20.300 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.222 13.818 18.152 1.00 0.00 N ATOM 0 H ARG A 10 5.444 10.678 16.845 1.00 0.00 H new ATOM 0 HA ARG A 10 7.635 11.628 18.580 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.708 11.041 18.920 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.758 10.783 20.298 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.352 13.062 20.443 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.871 13.397 18.791 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.897 12.566 20.950 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.291 14.240 20.615 1.00 0.00 H new ATOM 0 HE ARG A 10 3.490 12.799 18.210 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.349 14.488 21.092 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.793 14.911 20.369 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.490 13.346 17.289 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.309 14.267 18.225 1.00 0.00 H new ATOM 133 N ALA A 11 8.381 9.416 19.436 1.00 0.00 N ATOM 134 CA ALA A 11 8.930 8.115 19.797 1.00 0.00 C ATOM 135 C ALA A 11 9.919 8.238 20.952 1.00 0.00 C ATOM 136 O ALA A 11 10.469 9.311 21.202 1.00 0.00 O ATOM 137 CB ALA A 11 9.601 7.473 18.591 1.00 0.00 C ATOM 0 H ALA A 11 8.927 10.211 19.768 1.00 0.00 H new ATOM 0 HA ALA A 11 8.108 7.478 20.124 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.007 6.502 18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.869 7.342 17.794 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.409 8.115 18.239 1.00 0.00 H new ATOM 143 N THR A 12 10.140 7.131 21.655 1.00 0.00 N ATOM 144 CA THR A 12 11.061 7.115 22.784 1.00 0.00 C ATOM 145 C THR A 12 12.442 6.630 22.361 1.00 0.00 C ATOM 146 O THR A 12 12.581 5.896 21.382 1.00 0.00 O ATOM 147 CB THR A 12 10.539 6.216 23.921 1.00 0.00 C ATOM 148 OG1 THR A 12 9.925 5.043 23.376 1.00 0.00 O ATOM 149 CG2 THR A 12 9.536 6.964 24.786 1.00 0.00 C ATOM 0 H THR A 12 9.694 6.234 21.462 1.00 0.00 H new ATOM 0 HA THR A 12 11.135 8.140 23.146 1.00 0.00 H new ATOM 0 HB THR A 12 11.386 5.927 24.543 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.598 4.476 24.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.182 6.309 25.582 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.015 7.840 25.224 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.692 7.280 24.173 1.00 0.00 H new ATOM 157 N VAL A 13 13.464 7.042 23.105 1.00 0.00 N ATOM 158 CA VAL A 13 14.835 6.648 22.808 1.00 0.00 C ATOM 159 C VAL A 13 15.220 5.384 23.568 1.00 0.00 C ATOM 160 O VAL A 13 14.824 5.194 24.718 1.00 0.00 O ATOM 161 CB VAL A 13 15.831 7.769 23.160 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.254 7.343 22.831 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.468 9.053 22.430 1.00 0.00 C ATOM 0 H VAL A 13 13.367 7.649 23.919 1.00 0.00 H new ATOM 0 HA VAL A 13 14.883 6.454 21.737 1.00 0.00 H new ATOM 0 HB VAL A 13 15.773 7.959 24.232 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.943 8.148 23.087 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.509 6.452 23.404 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.331 7.124 21.766 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.182 9.834 22.691 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.496 8.880 21.354 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.465 9.366 22.721 1.00 0.00 H new ATOM 173 N GLU A 14 15.996 4.521 22.918 1.00 0.00 N ATOM 174 CA GLU A 14 16.434 3.274 23.533 1.00 0.00 C ATOM 175 C GLU A 14 17.513 3.535 24.581 1.00 0.00 C ATOM 176 O GLU A 14 17.275 3.391 25.781 1.00 0.00 O ATOM 177 CB GLU A 14 16.964 2.313 22.468 1.00 0.00 C ATOM 178 CG GLU A 14 17.486 1.003 23.035 1.00 0.00 C ATOM 179 CD GLU A 14 16.393 0.168 23.673 1.00 0.00 C ATOM 180 OE1 GLU A 14 16.125 0.362 24.878 1.00 0.00 O ATOM 181 OE2 GLU A 14 15.807 -0.681 22.969 1.00 0.00 O ATOM 0 H GLU A 14 16.334 4.663 21.966 1.00 0.00 H new ATOM 0 HA GLU A 14 15.575 2.820 24.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.168 2.099 21.755 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.764 2.804 21.914 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.958 0.429 22.238 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.257 1.214 23.776 1.00 0.00 H new ATOM 188 N CYS A 15 18.698 3.917 24.119 1.00 0.00 N ATOM 189 CA CYS A 15 19.814 4.196 25.016 1.00 0.00 C ATOM 190 C CYS A 15 20.727 5.268 24.429 1.00 0.00 C ATOM 191 O CYS A 15 20.988 5.286 23.226 1.00 0.00 O ATOM 192 CB CYS A 15 20.612 2.919 25.283 1.00 0.00 C ATOM 193 SG CYS A 15 19.882 1.842 26.538 1.00 0.00 S ATOM 0 H CYS A 15 18.911 4.041 23.129 1.00 0.00 H new ATOM 0 HA CYS A 15 19.408 4.565 25.958 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.707 2.361 24.351 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.620 3.192 25.595 1.00 0.00 H new ATOM 0 HG CYS A 15 18.618 2.119 26.665 1.00 0.00 H new ATOM 199 N VAL A 16 21.210 6.161 25.287 1.00 0.00 N ATOM 200 CA VAL A 16 22.094 7.237 24.855 1.00 0.00 C ATOM 201 C VAL A 16 23.268 7.402 25.813 1.00 0.00 C ATOM 202 O VAL A 16 23.098 7.839 26.951 1.00 0.00 O ATOM 203 CB VAL A 16 21.339 8.576 24.749 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.231 9.646 24.139 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.064 8.405 23.937 1.00 0.00 C ATOM 0 H VAL A 16 21.004 6.160 26.286 1.00 0.00 H new ATOM 0 HA VAL A 16 22.469 6.962 23.869 1.00 0.00 H new ATOM 0 HB VAL A 16 21.063 8.898 25.753 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.680 10.584 24.072 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.112 9.786 24.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.541 9.336 23.141 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.543 9.360 23.872 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.315 8.060 22.934 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.419 7.672 24.422 1.00 0.00 H new ATOM 215 N LYS A 17 24.461 7.051 25.344 1.00 0.00 N ATOM 216 CA LYS A 17 25.666 7.161 26.157 1.00 0.00 C ATOM 217 C LYS A 17 26.758 7.921 25.411 1.00 0.00 C ATOM 218 O LYS A 17 27.468 8.739 25.996 1.00 0.00 O ATOM 219 CB LYS A 17 26.172 5.771 26.547 1.00 0.00 C ATOM 220 CG LYS A 17 25.134 4.924 27.263 1.00 0.00 C ATOM 221 CD LYS A 17 25.412 3.440 27.094 1.00 0.00 C ATOM 222 CE LYS A 17 25.087 2.969 25.685 1.00 0.00 C ATOM 223 NZ LYS A 17 25.244 1.496 25.542 1.00 0.00 N ATOM 0 H LYS A 17 24.619 6.688 24.404 1.00 0.00 H new ATOM 0 HA LYS A 17 25.415 7.716 27.061 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.499 5.247 25.649 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.046 5.879 27.189 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.127 5.175 28.324 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.143 5.156 26.874 1.00 0.00 H new ATOM 0 HD2 LYS A 17 26.460 3.238 27.314 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.821 2.874 27.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 24.064 3.251 25.435 1.00 0.00 H new ATOM 0 HE3 LYS A 17 25.740 3.474 24.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 25.013 1.215 24.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 26.226 1.229 25.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 24.602 1.013 26.203 1.00 0.00 H new ATOM 237 N ASP A 18 26.886 7.646 24.118 1.00 0.00 N ATOM 238 CA ASP A 18 27.890 8.305 23.291 1.00 0.00 C ATOM 239 C ASP A 18 27.275 9.463 22.510 1.00 0.00 C ATOM 240 O ASP A 18 26.059 9.647 22.511 1.00 0.00 O ATOM 241 CB ASP A 18 28.526 7.303 22.327 1.00 0.00 C ATOM 242 CG ASP A 18 28.766 5.952 22.971 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.383 5.913 24.056 1.00 0.00 O ATOM 244 OD2 ASP A 18 28.336 4.934 22.391 1.00 0.00 O ATOM 0 H ASP A 18 26.307 6.971 23.619 1.00 0.00 H new ATOM 0 HA ASP A 18 28.663 8.704 23.949 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.879 7.178 21.458 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.473 7.703 21.965 1.00 0.00 H new ATOM 249 N GLN A 19 28.126 10.239 21.845 1.00 0.00 N ATOM 250 CA GLN A 19 27.666 11.379 21.061 1.00 0.00 C ATOM 251 C GLN A 19 26.564 10.964 20.092 1.00 0.00 C ATOM 252 O GLN A 19 25.687 11.760 19.756 1.00 0.00 O ATOM 253 CB GLN A 19 28.833 11.999 20.291 1.00 0.00 C ATOM 254 CG GLN A 19 29.954 12.501 21.186 1.00 0.00 C ATOM 255 CD GLN A 19 29.740 13.930 21.645 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.369 14.858 21.138 1.00 0.00 O ATOM 257 NE2 GLN A 19 28.846 14.113 22.610 1.00 0.00 N ATOM 0 H GLN A 19 29.136 10.099 21.834 1.00 0.00 H new ATOM 0 HA GLN A 19 27.259 12.121 21.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.235 11.259 19.599 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.461 12.828 19.689 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.036 11.852 22.058 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.900 12.434 20.649 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.347 13.314 23.002 1.00 0.00 H new ATOM 0 HE22 GLN A 19 28.658 15.053 22.960 1.00 0.00 H new ATOM 266 N PHE A 20 26.615 9.714 19.645 1.00 0.00 N ATOM 267 CA PHE A 20 25.622 9.193 18.713 1.00 0.00 C ATOM 268 C PHE A 20 24.767 8.116 19.374 1.00 0.00 C ATOM 269 O PHE A 20 25.284 7.216 20.035 1.00 0.00 O ATOM 270 CB PHE A 20 26.308 8.624 17.470 1.00 0.00 C ATOM 271 CG PHE A 20 27.353 7.591 17.782 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.011 6.254 17.899 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.678 7.958 17.956 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.971 5.302 18.187 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.642 7.010 18.244 1.00 0.00 C ATOM 276 CZ PHE A 20 29.288 5.680 18.358 1.00 0.00 C ATOM 0 H PHE A 20 27.334 9.042 19.913 1.00 0.00 H new ATOM 0 HA PHE A 20 24.972 10.016 18.416 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.554 8.181 16.819 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.770 9.440 16.914 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.983 5.952 17.764 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.961 8.996 17.866 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.691 4.263 18.278 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.671 7.309 18.380 1.00 0.00 H new ATOM 0 HZ PHE A 20 30.040 4.937 18.580 1.00 0.00 H new ATOM 286 N GLY A 21 23.454 8.217 19.192 1.00 0.00 N ATOM 287 CA GLY A 21 22.547 7.246 19.777 1.00 0.00 C ATOM 288 C GLY A 21 21.462 6.811 18.812 1.00 0.00 C ATOM 289 O GLY A 21 21.344 7.354 17.713 1.00 0.00 O ATOM 0 H GLY A 21 23.002 8.954 18.650 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.114 6.372 20.099 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.087 7.674 20.668 1.00 0.00 H new ATOM 293 N PHE A 22 20.668 5.827 19.221 1.00 0.00 N ATOM 294 CA PHE A 22 19.589 5.317 18.384 1.00 0.00 C ATOM 295 C PHE A 22 18.236 5.515 19.060 1.00 0.00 C ATOM 296 O PHE A 22 18.125 5.442 20.284 1.00 0.00 O ATOM 297 CB PHE A 22 19.808 3.833 18.081 1.00 0.00 C ATOM 298 CG PHE A 22 21.062 3.559 17.301 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.061 3.621 15.917 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.242 3.240 17.953 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.214 3.368 15.198 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.399 2.987 17.239 1.00 0.00 C ATOM 303 CZ PHE A 22 23.384 3.052 15.859 1.00 0.00 C ATOM 0 H PHE A 22 20.752 5.367 20.127 1.00 0.00 H new ATOM 0 HA PHE A 22 19.593 5.876 17.449 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.846 3.280 19.020 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.952 3.454 17.522 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.149 3.870 15.394 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.259 3.188 19.032 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.200 3.418 14.119 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.312 2.739 17.759 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.286 2.856 15.298 1.00 0.00 H new ATOM 313 N ILE A 23 17.210 5.767 18.254 1.00 0.00 N ATOM 314 CA ILE A 23 15.864 5.976 18.774 1.00 0.00 C ATOM 315 C ILE A 23 15.013 4.721 18.615 1.00 0.00 C ATOM 316 O ILE A 23 15.174 3.966 17.657 1.00 0.00 O ATOM 317 CB ILE A 23 15.163 7.151 18.066 1.00 0.00 C ATOM 318 CG1 ILE A 23 16.038 8.405 18.124 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.805 7.416 18.699 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.505 9.552 17.294 1.00 0.00 C ATOM 0 H ILE A 23 17.285 5.831 17.239 1.00 0.00 H new ATOM 0 HA ILE A 23 15.968 6.211 19.833 1.00 0.00 H new ATOM 0 HB ILE A 23 15.009 6.887 17.020 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.127 8.728 19.161 1.00 0.00 H new ATOM 0 HG13 ILE A 23 17.042 8.154 17.781 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.322 8.249 18.188 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.182 6.526 18.611 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.937 7.664 19.752 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.175 10.407 17.382 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.442 9.247 16.250 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.513 9.830 17.651 1.00 0.00 H new ATOM 332 N ASN A 24 14.104 4.505 19.561 1.00 0.00 N ATOM 333 CA ASN A 24 13.226 3.342 19.526 1.00 0.00 C ATOM 334 C ASN A 24 12.023 3.595 18.622 1.00 0.00 C ATOM 335 O ASN A 24 10.876 3.531 19.065 1.00 0.00 O ATOM 336 CB ASN A 24 12.752 2.992 20.938 1.00 0.00 C ATOM 337 CG ASN A 24 12.477 1.510 21.105 1.00 0.00 C ATOM 338 OD1 ASN A 24 11.760 0.906 20.306 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.047 0.916 22.147 1.00 0.00 N ATOM 0 H ASN A 24 13.957 5.121 20.361 1.00 0.00 H new ATOM 0 HA ASN A 24 13.792 2.503 19.121 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.508 3.302 21.659 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.846 3.555 21.164 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.898 -0.080 22.311 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.634 1.455 22.784 1.00 0.00 H new ATOM 346 N TYR A 25 12.293 3.883 17.354 1.00 0.00 N ATOM 347 CA TYR A 25 11.234 4.148 16.388 1.00 0.00 C ATOM 348 C TYR A 25 11.339 3.206 15.192 1.00 0.00 C ATOM 349 O TYR A 25 12.417 2.700 14.880 1.00 0.00 O ATOM 350 CB TYR A 25 11.299 5.601 15.914 1.00 0.00 C ATOM 351 CG TYR A 25 10.133 6.006 15.041 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.828 5.928 15.512 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.336 6.467 13.746 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.759 6.297 14.717 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.273 6.838 12.945 1.00 0.00 C ATOM 356 CZ TYR A 25 7.987 6.751 13.435 1.00 0.00 C ATOM 357 OH TYR A 25 6.925 7.120 12.642 1.00 0.00 O ATOM 0 H TYR A 25 13.237 3.939 16.971 1.00 0.00 H new ATOM 0 HA TYR A 25 10.277 3.976 16.880 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.336 6.257 16.784 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.226 5.753 15.361 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.646 5.573 16.516 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.342 6.537 13.359 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.751 6.230 15.098 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.448 7.194 11.941 1.00 0.00 H new ATOM 0 HH TYR A 25 7.256 7.418 11.769 1.00 0.00 H new ATOM 367 N GLU A 26 10.211 2.976 14.527 1.00 0.00 N ATOM 368 CA GLU A 26 10.176 2.095 13.366 1.00 0.00 C ATOM 369 C GLU A 26 9.860 2.880 12.096 1.00 0.00 C ATOM 370 O GLU A 26 8.869 3.609 12.034 1.00 0.00 O ATOM 371 CB GLU A 26 9.136 0.990 13.567 1.00 0.00 C ATOM 372 CG GLU A 26 9.322 -0.197 12.638 1.00 0.00 C ATOM 373 CD GLU A 26 8.099 -1.092 12.583 1.00 0.00 C ATOM 374 OE1 GLU A 26 6.999 -0.614 12.933 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.240 -2.268 12.190 1.00 0.00 O ATOM 0 H GLU A 26 9.310 3.387 14.772 1.00 0.00 H new ATOM 0 HA GLU A 26 11.161 1.642 13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.182 0.643 14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.141 1.407 13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.549 0.164 11.635 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.181 -0.781 12.969 1.00 0.00 H new ATOM 382 N VAL A 27 10.710 2.727 11.086 1.00 0.00 N ATOM 383 CA VAL A 27 10.522 3.421 9.817 1.00 0.00 C ATOM 384 C VAL A 27 10.623 2.455 8.642 1.00 0.00 C ATOM 385 O VAL A 27 11.039 2.833 7.548 1.00 0.00 O ATOM 386 CB VAL A 27 11.559 4.545 9.634 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.364 5.628 10.683 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.971 3.982 9.692 1.00 0.00 C ATOM 0 H VAL A 27 11.535 2.129 11.121 1.00 0.00 H new ATOM 0 HA VAL A 27 9.524 3.858 9.839 1.00 0.00 H new ATOM 0 HB VAL A 27 11.412 4.994 8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.106 6.413 10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.364 6.051 10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.482 5.197 11.677 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.691 4.790 9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.133 3.505 10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.102 3.247 8.898 1.00 0.00 H new ATOM 398 N GLY A 28 10.239 1.204 8.877 1.00 0.00 N ATOM 399 CA GLY A 28 10.293 0.202 7.829 1.00 0.00 C ATOM 400 C GLY A 28 11.708 -0.258 7.539 1.00 0.00 C ATOM 401 O GLY A 28 12.574 0.551 7.204 1.00 0.00 O ATOM 0 H GLY A 28 9.891 0.867 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.688 -0.656 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.853 0.609 6.919 1.00 0.00 H new ATOM 405 N ASP A 29 11.944 -1.559 7.668 1.00 0.00 N ATOM 406 CA ASP A 29 13.265 -2.125 7.418 1.00 0.00 C ATOM 407 C ASP A 29 14.312 -1.481 8.322 1.00 0.00 C ATOM 408 O ASP A 29 15.489 -1.409 7.971 1.00 0.00 O ATOM 409 CB ASP A 29 13.654 -1.936 5.951 1.00 0.00 C ATOM 410 CG ASP A 29 12.479 -2.123 5.012 1.00 0.00 C ATOM 411 OD1 ASP A 29 11.775 -1.129 4.737 1.00 0.00 O ATOM 412 OD2 ASP A 29 12.265 -3.264 4.550 1.00 0.00 O ATOM 0 H ASP A 29 11.238 -2.242 7.944 1.00 0.00 H new ATOM 0 HA ASP A 29 13.225 -3.191 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.070 -0.938 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.439 -2.646 5.692 1.00 0.00 H new ATOM 417 N SER A 30 13.874 -1.014 9.487 1.00 0.00 N ATOM 418 CA SER A 30 14.773 -0.373 10.439 1.00 0.00 C ATOM 419 C SER A 30 14.051 -0.073 11.750 1.00 0.00 C ATOM 420 O SER A 30 13.107 0.716 11.787 1.00 0.00 O ATOM 421 CB SER A 30 15.338 0.921 9.848 1.00 0.00 C ATOM 422 OG SER A 30 16.392 1.429 10.647 1.00 0.00 O ATOM 0 H SER A 30 12.903 -1.068 9.794 1.00 0.00 H new ATOM 0 HA SER A 30 15.594 -1.059 10.644 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.701 0.735 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.545 1.665 9.770 1.00 0.00 H new ATOM 0 HG SER A 30 16.039 2.102 11.265 1.00 0.00 H new ATOM 428 N LYS A 31 14.503 -0.710 12.825 1.00 0.00 N ATOM 429 CA LYS A 31 13.904 -0.512 14.140 1.00 0.00 C ATOM 430 C LYS A 31 14.739 0.448 14.980 1.00 0.00 C ATOM 431 O LYS A 31 14.713 0.397 16.210 1.00 0.00 O ATOM 432 CB LYS A 31 13.764 -1.853 14.865 1.00 0.00 C ATOM 433 CG LYS A 31 12.581 -2.680 14.393 1.00 0.00 C ATOM 434 CD LYS A 31 12.514 -4.017 15.111 1.00 0.00 C ATOM 435 CE LYS A 31 11.270 -4.799 14.717 1.00 0.00 C ATOM 436 NZ LYS A 31 11.362 -5.325 13.327 1.00 0.00 N ATOM 0 H LYS A 31 15.282 -1.368 12.812 1.00 0.00 H new ATOM 0 HA LYS A 31 12.915 -0.076 14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.678 -2.429 14.725 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.664 -1.669 15.935 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.658 -2.127 14.565 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.658 -2.846 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.403 -4.602 14.876 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.516 -3.853 16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.128 -5.628 15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.394 -4.156 14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.502 -5.866 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.455 -4.532 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.193 -5.945 13.245 1.00 0.00 H new ATOM 450 N LYS A 32 15.479 1.324 14.309 1.00 0.00 N ATOM 451 CA LYS A 32 16.320 2.299 14.993 1.00 0.00 C ATOM 452 C LYS A 32 16.586 3.509 14.102 1.00 0.00 C ATOM 453 O LYS A 32 16.713 3.379 12.884 1.00 0.00 O ATOM 454 CB LYS A 32 17.645 1.657 15.409 1.00 0.00 C ATOM 455 CG LYS A 32 18.416 1.048 14.250 1.00 0.00 C ATOM 456 CD LYS A 32 18.858 -0.372 14.560 1.00 0.00 C ATOM 457 CE LYS A 32 18.992 -1.203 13.293 1.00 0.00 C ATOM 458 NZ LYS A 32 17.737 -1.941 12.979 1.00 0.00 N ATOM 0 H LYS A 32 15.513 1.379 13.291 1.00 0.00 H new ATOM 0 HA LYS A 32 15.791 2.636 15.884 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.268 2.409 15.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.447 0.882 16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.792 1.049 13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.289 1.662 14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.813 -0.351 15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.137 -0.841 15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.250 -0.552 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.811 -1.912 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.932 -2.962 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.026 -1.744 13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.375 -1.633 12.054 1.00 0.00 H new ATOM 472 N LEU A 33 16.670 4.683 14.717 1.00 0.00 N ATOM 473 CA LEU A 33 16.923 5.916 13.980 1.00 0.00 C ATOM 474 C LEU A 33 18.255 6.534 14.392 1.00 0.00 C ATOM 475 O LEU A 33 18.506 6.761 15.576 1.00 0.00 O ATOM 476 CB LEU A 33 15.789 6.916 14.215 1.00 0.00 C ATOM 477 CG LEU A 33 15.598 7.980 13.134 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.032 7.358 11.867 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.688 9.093 13.636 1.00 0.00 C ATOM 0 H LEU A 33 16.567 4.807 15.724 1.00 0.00 H new ATOM 0 HA LEU A 33 16.970 5.672 12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.857 6.360 14.318 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.967 7.420 15.165 1.00 0.00 H new ATOM 0 HG LEU A 33 16.571 8.411 12.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.903 8.130 11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.719 6.597 11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.068 6.900 12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.563 9.842 12.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.715 8.677 13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.133 9.558 14.515 1.00 0.00 H new ATOM 491 N PHE A 34 19.105 6.806 13.408 1.00 0.00 N ATOM 492 CA PHE A 34 20.412 7.400 13.668 1.00 0.00 C ATOM 493 C PHE A 34 20.310 8.919 13.761 1.00 0.00 C ATOM 494 O PHE A 34 19.747 9.570 12.880 1.00 0.00 O ATOM 495 CB PHE A 34 21.401 7.009 12.569 1.00 0.00 C ATOM 496 CG PHE A 34 22.718 7.724 12.665 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.483 7.643 13.818 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.191 8.479 11.604 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.695 8.300 13.910 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.403 9.137 11.690 1.00 0.00 C ATOM 501 CZ PHE A 34 25.156 9.049 12.845 1.00 0.00 C ATOM 0 H PHE A 34 18.913 6.625 12.423 1.00 0.00 H new ATOM 0 HA PHE A 34 20.773 7.019 14.623 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.576 5.934 12.615 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.953 7.218 11.597 1.00 0.00 H new ATOM 0 HD1 PHE A 34 23.128 7.059 14.654 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.606 8.554 10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.281 8.228 14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.762 9.720 10.855 1.00 0.00 H new ATOM 0 HZ PHE A 34 26.102 9.564 12.915 1.00 0.00 H new ATOM 511 N PHE A 35 20.860 9.479 14.834 1.00 0.00 N ATOM 512 CA PHE A 35 20.830 10.921 15.043 1.00 0.00 C ATOM 513 C PHE A 35 22.040 11.378 15.853 1.00 0.00 C ATOM 514 O PHE A 35 22.437 10.726 16.819 1.00 0.00 O ATOM 515 CB PHE A 35 19.541 11.328 15.759 1.00 0.00 C ATOM 516 CG PHE A 35 19.515 10.945 17.211 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.192 9.653 17.595 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.813 11.877 18.193 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.167 9.299 18.930 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.790 11.528 19.530 1.00 0.00 C ATOM 521 CZ PHE A 35 19.467 10.237 19.899 1.00 0.00 C ATOM 0 H PHE A 35 21.332 8.956 15.572 1.00 0.00 H new ATOM 0 HA PHE A 35 20.863 11.405 14.067 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.413 12.407 15.674 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.693 10.865 15.254 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.957 8.915 16.842 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.066 12.888 17.910 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.913 8.289 19.216 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.024 12.264 20.285 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.449 9.961 20.943 1.00 0.00 H new ATOM 531 N HIS A 36 22.623 12.504 15.452 1.00 0.00 N ATOM 532 CA HIS A 36 23.788 13.049 16.139 1.00 0.00 C ATOM 533 C HIS A 36 23.374 14.117 17.147 1.00 0.00 C ATOM 534 O HIS A 36 22.284 14.681 17.056 1.00 0.00 O ATOM 535 CB HIS A 36 24.773 13.638 15.129 1.00 0.00 C ATOM 536 CG HIS A 36 26.136 13.889 15.698 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.673 15.152 15.837 1.00 0.00 N ATOM 538 CD2 HIS A 36 27.072 13.031 16.166 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.880 15.059 16.364 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.146 13.782 16.574 1.00 0.00 N ATOM 0 H HIS A 36 22.307 13.056 14.655 1.00 0.00 H new ATOM 0 HA HIS A 36 24.275 12.236 16.677 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.862 12.958 14.281 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.370 14.575 14.745 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.989 11.955 16.210 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.538 15.886 16.586 1.00 0.00 H new ATOM 0 HE2 HIS A 36 29.009 13.414 16.974 1.00 0.00 H new ATOM 548 N VAL A 37 24.252 14.389 18.107 1.00 0.00 N ATOM 549 CA VAL A 37 23.977 15.390 19.132 1.00 0.00 C ATOM 550 C VAL A 37 23.651 16.741 18.507 1.00 0.00 C ATOM 551 O VAL A 37 22.962 17.566 19.108 1.00 0.00 O ATOM 552 CB VAL A 37 25.172 15.555 20.089 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.270 14.365 21.032 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.463 15.731 19.304 1.00 0.00 C ATOM 0 H VAL A 37 25.159 13.931 18.197 1.00 0.00 H new ATOM 0 HA VAL A 37 23.114 15.036 19.697 1.00 0.00 H new ATOM 0 HB VAL A 37 25.013 16.451 20.689 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.120 14.500 21.701 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.355 14.290 21.619 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.405 13.452 20.453 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.297 15.846 19.996 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.630 14.855 18.677 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.388 16.618 18.675 1.00 0.00 H new ATOM 564 N LYS A 38 24.149 16.962 17.295 1.00 0.00 N ATOM 565 CA LYS A 38 23.910 18.213 16.585 1.00 0.00 C ATOM 566 C LYS A 38 22.424 18.399 16.296 1.00 0.00 C ATOM 567 O LYS A 38 21.924 19.523 16.265 1.00 0.00 O ATOM 568 CB LYS A 38 24.703 18.241 15.277 1.00 0.00 C ATOM 569 CG LYS A 38 24.126 17.342 14.197 1.00 0.00 C ATOM 570 CD LYS A 38 25.190 16.915 13.200 1.00 0.00 C ATOM 571 CE LYS A 38 24.575 16.241 11.983 1.00 0.00 C ATOM 572 NZ LYS A 38 24.117 14.857 12.287 1.00 0.00 N ATOM 0 H LYS A 38 24.721 16.290 16.784 1.00 0.00 H new ATOM 0 HA LYS A 38 24.243 19.033 17.222 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.738 19.265 14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.731 17.939 15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.681 16.459 14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.326 17.867 13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.764 17.786 12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.888 16.231 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.731 16.833 11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.307 16.212 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.689 14.438 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.929 14.280 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.412 14.885 13.052 1.00 0.00 H new ATOM 586 N GLU A 39 21.723 17.289 16.085 1.00 0.00 N ATOM 587 CA GLU A 39 20.294 17.331 15.799 1.00 0.00 C ATOM 588 C GLU A 39 19.538 18.056 16.908 1.00 0.00 C ATOM 589 O GLU A 39 18.985 19.134 16.695 1.00 0.00 O ATOM 590 CB GLU A 39 19.743 15.913 15.633 1.00 0.00 C ATOM 591 CG GLU A 39 20.333 15.165 14.449 1.00 0.00 C ATOM 592 CD GLU A 39 19.372 14.148 13.864 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.279 13.964 14.439 1.00 0.00 O ATOM 594 OE2 GLU A 39 19.714 13.537 12.830 1.00 0.00 O ATOM 0 H GLU A 39 22.122 16.350 16.107 1.00 0.00 H new ATOM 0 HA GLU A 39 20.152 17.880 14.868 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.939 15.347 16.544 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.660 15.964 15.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.614 15.880 13.676 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.246 14.658 14.762 1.00 0.00 H new ATOM 601 N VAL A 40 19.518 17.454 18.093 1.00 0.00 N ATOM 602 CA VAL A 40 18.831 18.042 19.237 1.00 0.00 C ATOM 603 C VAL A 40 19.276 19.482 19.465 1.00 0.00 C ATOM 604 O VAL A 40 20.446 19.817 19.282 1.00 0.00 O ATOM 605 CB VAL A 40 19.083 17.229 20.521 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.575 17.096 20.785 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.379 17.874 21.706 1.00 0.00 C ATOM 0 H VAL A 40 19.969 16.560 18.286 1.00 0.00 H new ATOM 0 HA VAL A 40 17.765 18.026 19.009 1.00 0.00 H new ATOM 0 HB VAL A 40 18.672 16.229 20.384 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.733 16.519 21.696 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.049 16.587 19.946 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.013 18.087 20.903 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.567 17.287 22.605 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.758 18.886 21.848 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.306 17.912 21.516 1.00 0.00 H new ATOM 617 N GLN A 41 18.334 20.330 19.867 1.00 0.00 N ATOM 618 CA GLN A 41 18.630 21.735 20.119 1.00 0.00 C ATOM 619 C GLN A 41 18.075 22.174 21.471 1.00 0.00 C ATOM 620 O GLN A 41 17.532 21.363 22.222 1.00 0.00 O ATOM 621 CB GLN A 41 18.047 22.609 19.008 1.00 0.00 C ATOM 622 CG GLN A 41 18.421 22.145 17.609 1.00 0.00 C ATOM 623 CD GLN A 41 18.429 23.277 16.601 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.028 24.327 16.834 1.00 0.00 O ATOM 625 NE2 GLN A 41 17.761 23.069 15.472 1.00 0.00 N ATOM 0 H GLN A 41 17.361 20.069 20.025 1.00 0.00 H new ATOM 0 HA GLN A 41 19.713 21.854 20.134 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.961 22.622 19.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.390 23.634 19.146 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.407 21.681 17.636 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.717 21.379 17.284 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.279 22.183 15.321 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.730 23.795 14.756 1.00 0.00 H new ATOM 634 N ASP A 42 18.216 23.459 21.774 1.00 0.00 N ATOM 635 CA ASP A 42 17.728 24.006 23.035 1.00 0.00 C ATOM 636 C ASP A 42 18.459 23.379 24.218 1.00 0.00 C ATOM 637 O ASP A 42 17.926 23.309 25.324 1.00 0.00 O ATOM 638 CB ASP A 42 16.222 23.772 23.168 1.00 0.00 C ATOM 639 CG ASP A 42 15.526 24.894 23.913 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.856 26.070 23.657 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.652 24.595 24.754 1.00 0.00 O ATOM 0 H ASP A 42 18.664 24.142 21.164 1.00 0.00 H new ATOM 0 HA ASP A 42 17.923 25.078 23.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.784 23.672 22.175 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.048 22.831 23.689 1.00 0.00 H new ATOM 646 N GLY A 43 19.684 22.922 23.975 1.00 0.00 N ATOM 647 CA GLY A 43 20.468 22.305 25.030 1.00 0.00 C ATOM 648 C GLY A 43 19.716 21.195 25.737 1.00 0.00 C ATOM 649 O GLY A 43 19.684 21.143 26.967 1.00 0.00 O ATOM 0 H GLY A 43 20.147 22.968 23.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.389 21.904 24.607 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.756 23.065 25.757 1.00 0.00 H new ATOM 653 N ILE A 44 19.109 20.304 24.959 1.00 0.00 N ATOM 654 CA ILE A 44 18.354 19.191 25.519 1.00 0.00 C ATOM 655 C ILE A 44 19.110 17.876 25.354 1.00 0.00 C ATOM 656 O ILE A 44 19.829 17.682 24.375 1.00 0.00 O ATOM 657 CB ILE A 44 16.969 19.060 24.858 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.237 20.403 24.889 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.148 17.986 25.556 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.924 20.888 26.288 1.00 0.00 C ATOM 0 H ILE A 44 19.126 20.332 23.940 1.00 0.00 H new ATOM 0 HA ILE A 44 18.222 19.402 26.580 1.00 0.00 H new ATOM 0 HB ILE A 44 17.105 18.766 23.817 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.846 21.151 24.381 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.307 20.314 24.327 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.172 17.906 25.077 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.666 17.030 25.487 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.017 18.252 26.605 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.405 21.845 26.234 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.289 20.159 26.792 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.852 21.010 26.847 1.00 0.00 H new ATOM 672 N GLU A 45 18.939 16.977 26.318 1.00 0.00 N ATOM 673 CA GLU A 45 19.604 15.680 26.278 1.00 0.00 C ATOM 674 C GLU A 45 18.584 14.546 26.218 1.00 0.00 C ATOM 675 O GLU A 45 17.656 14.488 27.025 1.00 0.00 O ATOM 676 CB GLU A 45 20.505 15.506 27.502 1.00 0.00 C ATOM 677 CG GLU A 45 21.898 16.085 27.321 1.00 0.00 C ATOM 678 CD GLU A 45 22.812 15.784 28.492 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.231 14.615 28.631 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.109 16.715 29.269 1.00 0.00 O ATOM 0 H GLU A 45 18.346 17.123 27.135 1.00 0.00 H new ATOM 0 HA GLU A 45 20.216 15.642 25.377 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.032 15.982 28.361 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.589 14.444 27.732 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.339 15.683 26.409 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.824 17.165 27.191 1.00 0.00 H new ATOM 687 N LEU A 46 18.763 13.648 25.256 1.00 0.00 N ATOM 688 CA LEU A 46 17.858 12.515 25.089 1.00 0.00 C ATOM 689 C LEU A 46 18.409 11.272 25.780 1.00 0.00 C ATOM 690 O LEU A 46 19.504 10.808 25.462 1.00 0.00 O ATOM 691 CB LEU A 46 17.635 12.230 23.603 1.00 0.00 C ATOM 692 CG LEU A 46 17.488 13.455 22.700 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.467 13.040 21.237 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.227 14.231 23.054 1.00 0.00 C ATOM 0 H LEU A 46 19.526 13.682 24.580 1.00 0.00 H new ATOM 0 HA LEU A 46 16.904 12.772 25.550 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.471 11.633 23.239 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.738 11.619 23.501 1.00 0.00 H new ATOM 0 HG LEU A 46 18.348 14.106 22.860 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.362 13.925 20.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.398 12.529 20.990 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.627 12.369 21.061 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.139 15.099 22.401 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.356 13.589 22.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.282 14.561 24.091 1.00 0.00 H new ATOM 706 N GLN A 47 17.642 10.736 26.724 1.00 0.00 N ATOM 707 CA GLN A 47 18.054 9.546 27.458 1.00 0.00 C ATOM 708 C GLN A 47 17.101 8.385 27.191 1.00 0.00 C ATOM 709 O GLN A 47 16.131 8.525 26.446 1.00 0.00 O ATOM 710 CB GLN A 47 18.111 9.840 28.958 1.00 0.00 C ATOM 711 CG GLN A 47 19.224 10.799 29.348 1.00 0.00 C ATOM 712 CD GLN A 47 19.010 11.417 30.715 1.00 0.00 C ATOM 713 OE1 GLN A 47 18.265 10.885 31.540 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.663 12.546 30.964 1.00 0.00 N ATOM 0 H GLN A 47 16.732 11.107 26.998 1.00 0.00 H new ATOM 0 HA GLN A 47 19.048 9.263 27.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.155 10.258 29.274 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.244 8.903 29.499 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.176 10.268 29.339 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.294 11.591 28.602 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.270 12.952 30.252 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.558 13.007 31.868 1.00 0.00 H new ATOM 723 N ALA A 48 17.384 7.241 27.804 1.00 0.00 N ATOM 724 CA ALA A 48 16.551 6.057 27.634 1.00 0.00 C ATOM 725 C ALA A 48 15.156 6.279 28.209 1.00 0.00 C ATOM 726 O ALA A 48 14.992 6.449 29.416 1.00 0.00 O ATOM 727 CB ALA A 48 17.208 4.851 28.289 1.00 0.00 C ATOM 0 H ALA A 48 18.184 7.109 28.423 1.00 0.00 H new ATOM 0 HA ALA A 48 16.449 5.866 26.566 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.575 3.974 28.154 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.180 4.671 27.829 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.341 5.043 29.354 1.00 0.00 H new ATOM 733 N GLY A 49 14.154 6.279 27.335 1.00 0.00 N ATOM 734 CA GLY A 49 12.786 6.483 27.775 1.00 0.00 C ATOM 735 C GLY A 49 12.332 7.919 27.609 1.00 0.00 C ATOM 736 O GLY A 49 11.324 8.329 28.185 1.00 0.00 O ATOM 0 H GLY A 49 14.265 6.141 26.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.124 5.828 27.209 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.698 6.196 28.823 1.00 0.00 H new ATOM 740 N ASP A 50 13.076 8.686 26.820 1.00 0.00 N ATOM 741 CA ASP A 50 12.745 10.086 26.580 1.00 0.00 C ATOM 742 C ASP A 50 12.011 10.250 25.253 1.00 0.00 C ATOM 743 O ASP A 50 12.586 10.038 24.185 1.00 0.00 O ATOM 744 CB ASP A 50 14.013 10.941 26.586 1.00 0.00 C ATOM 745 CG ASP A 50 14.507 11.234 27.989 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.557 10.294 28.809 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.846 12.403 28.266 1.00 0.00 O ATOM 0 H ASP A 50 13.913 8.362 26.335 1.00 0.00 H new ATOM 0 HA ASP A 50 12.088 10.421 27.382 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.796 10.428 26.028 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.817 11.881 26.069 1.00 0.00 H new ATOM 752 N GLU A 51 10.739 10.629 25.328 1.00 0.00 N ATOM 753 CA GLU A 51 9.928 10.820 24.132 1.00 0.00 C ATOM 754 C GLU A 51 10.218 12.173 23.487 1.00 0.00 C ATOM 755 O GLU A 51 10.185 13.209 24.150 1.00 0.00 O ATOM 756 CB GLU A 51 8.440 10.716 24.476 1.00 0.00 C ATOM 757 CG GLU A 51 7.577 10.256 23.313 1.00 0.00 C ATOM 758 CD GLU A 51 6.096 10.306 23.631 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.725 10.943 24.639 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.306 9.708 22.870 1.00 0.00 O ATOM 0 H GLU A 51 10.249 10.810 26.204 1.00 0.00 H new ATOM 0 HA GLU A 51 10.186 10.035 23.421 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.316 10.021 25.307 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.086 11.689 24.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.780 10.883 22.445 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.852 9.237 23.042 1.00 0.00 H new ATOM 767 N VAL A 52 10.504 12.153 22.189 1.00 0.00 N ATOM 768 CA VAL A 52 10.801 13.377 21.453 1.00 0.00 C ATOM 769 C VAL A 52 10.072 13.403 20.115 1.00 0.00 C ATOM 770 O VAL A 52 9.631 12.368 19.617 1.00 0.00 O ATOM 771 CB VAL A 52 12.313 13.530 21.205 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.054 13.718 22.520 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.853 12.326 20.447 1.00 0.00 C ATOM 0 H VAL A 52 10.536 11.303 21.625 1.00 0.00 H new ATOM 0 HA VAL A 52 10.456 14.208 22.068 1.00 0.00 H new ATOM 0 HB VAL A 52 12.475 14.418 20.594 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.121 13.824 22.324 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.686 14.614 23.020 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.887 12.851 23.159 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.923 12.451 20.280 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.680 11.421 21.030 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.344 12.242 19.487 1.00 0.00 H new ATOM 783 N GLU A 53 9.950 14.594 19.537 1.00 0.00 N ATOM 784 CA GLU A 53 9.273 14.755 18.255 1.00 0.00 C ATOM 785 C GLU A 53 10.267 15.128 17.159 1.00 0.00 C ATOM 786 O GLU A 53 10.922 16.168 17.227 1.00 0.00 O ATOM 787 CB GLU A 53 8.185 15.826 18.359 1.00 0.00 C ATOM 788 CG GLU A 53 7.115 15.711 17.286 1.00 0.00 C ATOM 789 CD GLU A 53 5.804 16.351 17.700 1.00 0.00 C ATOM 790 OE1 GLU A 53 5.842 17.348 18.451 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.740 15.855 17.273 1.00 0.00 O ATOM 0 H GLU A 53 10.311 15.461 19.936 1.00 0.00 H new ATOM 0 HA GLU A 53 8.811 13.803 17.994 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.713 15.759 19.339 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.648 16.811 18.295 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.472 16.182 16.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.946 14.659 17.058 1.00 0.00 H new ATOM 798 N PHE A 54 10.373 14.272 16.149 1.00 0.00 N ATOM 799 CA PHE A 54 11.288 14.510 15.038 1.00 0.00 C ATOM 800 C PHE A 54 10.585 14.297 13.700 1.00 0.00 C ATOM 801 O PHE A 54 9.526 13.674 13.635 1.00 0.00 O ATOM 802 CB PHE A 54 12.502 13.585 15.142 1.00 0.00 C ATOM 803 CG PHE A 54 12.142 12.128 15.209 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.860 11.416 14.054 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.086 11.470 16.428 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.527 10.076 14.114 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.755 10.130 16.493 1.00 0.00 C ATOM 808 CZ PHE A 54 11.476 9.432 15.335 1.00 0.00 C ATOM 0 H PHE A 54 9.837 13.407 16.076 1.00 0.00 H new ATOM 0 HA PHE A 54 11.624 15.546 15.092 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.150 13.752 14.282 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.076 13.850 16.030 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.901 11.914 13.096 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.304 12.011 17.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.307 9.533 13.207 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.715 9.629 17.449 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.218 8.384 15.384 1.00 0.00 H new ATOM 818 N SER A 55 11.184 14.819 12.634 1.00 0.00 N ATOM 819 CA SER A 55 10.614 14.691 11.298 1.00 0.00 C ATOM 820 C SER A 55 11.434 13.724 10.449 1.00 0.00 C ATOM 821 O SER A 55 12.664 13.767 10.452 1.00 0.00 O ATOM 822 CB SER A 55 10.549 16.058 10.615 1.00 0.00 C ATOM 823 OG SER A 55 9.525 16.091 9.636 1.00 0.00 O ATOM 0 H SER A 55 12.064 15.334 12.670 1.00 0.00 H new ATOM 0 HA SER A 55 9.604 14.294 11.397 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.369 16.832 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.509 16.281 10.149 1.00 0.00 H new ATOM 0 HG SER A 55 9.503 16.976 9.215 1.00 0.00 H new ATOM 829 N VAL A 56 10.742 12.852 9.722 1.00 0.00 N ATOM 830 CA VAL A 56 11.405 11.874 8.867 1.00 0.00 C ATOM 831 C VAL A 56 11.815 12.496 7.537 1.00 0.00 C ATOM 832 O VAL A 56 10.966 12.914 6.748 1.00 0.00 O ATOM 833 CB VAL A 56 10.497 10.660 8.595 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.236 9.613 7.776 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.993 10.068 9.903 1.00 0.00 C ATOM 0 H VAL A 56 9.723 12.803 9.708 1.00 0.00 H new ATOM 0 HA VAL A 56 12.296 11.540 9.399 1.00 0.00 H new ATOM 0 HB VAL A 56 9.635 10.995 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.579 8.763 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.542 10.046 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.118 9.279 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.353 9.211 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.841 9.747 10.508 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.423 10.821 10.448 1.00 0.00 H new ATOM 845 N ILE A 57 13.120 12.554 7.294 1.00 0.00 N ATOM 846 CA ILE A 57 13.642 13.124 6.059 1.00 0.00 C ATOM 847 C ILE A 57 14.349 12.064 5.221 1.00 0.00 C ATOM 848 O ILE A 57 15.267 11.393 5.695 1.00 0.00 O ATOM 849 CB ILE A 57 14.622 14.278 6.341 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.012 15.260 7.343 1.00 0.00 C ATOM 851 CG2 ILE A 57 14.988 14.990 5.047 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.709 15.869 6.875 1.00 0.00 C ATOM 0 H ILE A 57 13.835 12.213 7.937 1.00 0.00 H new ATOM 0 HA ILE A 57 12.788 13.512 5.505 1.00 0.00 H new ATOM 0 HB ILE A 57 15.533 13.865 6.775 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.844 14.744 8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.728 16.059 7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.681 15.803 5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.459 14.283 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.087 15.394 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.334 16.555 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.875 16.413 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.978 15.079 6.707 1.00 0.00 H new ATOM 864 N LEU A 58 13.918 11.920 3.973 1.00 0.00 N ATOM 865 CA LEU A 58 14.512 10.943 3.066 1.00 0.00 C ATOM 866 C LEU A 58 15.536 11.603 2.149 1.00 0.00 C ATOM 867 O LEU A 58 15.261 12.633 1.535 1.00 0.00 O ATOM 868 CB LEU A 58 13.423 10.266 2.231 1.00 0.00 C ATOM 869 CG LEU A 58 13.911 9.356 1.104 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.700 8.184 1.667 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.737 8.860 0.272 1.00 0.00 C ATOM 0 H LEU A 58 13.160 12.467 3.566 1.00 0.00 H new ATOM 0 HA LEU A 58 15.022 10.190 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.794 9.678 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.791 11.041 1.797 1.00 0.00 H new ATOM 0 HG LEU A 58 14.571 9.934 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.039 7.547 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.563 8.558 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.064 7.606 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.104 8.214 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.052 8.299 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.214 9.712 -0.163 1.00 0.00 H new ATOM 883 N ASN A 59 16.717 11.000 2.058 1.00 0.00 N ATOM 884 CA ASN A 59 17.782 11.529 1.214 1.00 0.00 C ATOM 885 C ASN A 59 17.953 10.679 -0.042 1.00 0.00 C ATOM 886 O ASN A 59 18.152 9.467 0.040 1.00 0.00 O ATOM 887 CB ASN A 59 19.099 11.582 1.991 1.00 0.00 C ATOM 888 CG ASN A 59 19.251 12.864 2.786 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.334 13.280 3.495 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.412 13.498 2.669 1.00 0.00 N ATOM 0 H ASN A 59 16.960 10.145 2.558 1.00 0.00 H new ATOM 0 HA ASN A 59 17.505 12.539 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.153 10.730 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.932 11.489 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.572 14.367 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.144 13.116 2.070 1.00 0.00 H new ATOM 897 N GLN A 60 17.876 11.324 -1.201 1.00 0.00 N ATOM 898 CA GLN A 60 18.022 10.627 -2.473 1.00 0.00 C ATOM 899 C GLN A 60 19.494 10.430 -2.820 1.00 0.00 C ATOM 900 O GLN A 60 19.853 9.501 -3.544 1.00 0.00 O ATOM 901 CB GLN A 60 17.324 11.406 -3.589 1.00 0.00 C ATOM 902 CG GLN A 60 15.809 11.427 -3.460 1.00 0.00 C ATOM 903 CD GLN A 60 15.170 12.537 -4.271 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.851 13.268 -4.990 1.00 0.00 O ATOM 905 NE2 GLN A 60 13.853 12.670 -4.158 1.00 0.00 N ATOM 0 H GLN A 60 17.713 12.327 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 60 17.555 9.647 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.694 12.431 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.593 10.967 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.407 10.467 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.539 11.547 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.327 12.042 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.368 13.400 -4.679 1.00 0.00 H new ATOM 914 N ARG A 61 20.343 11.309 -2.298 1.00 0.00 N ATOM 915 CA ARG A 61 21.776 11.233 -2.554 1.00 0.00 C ATOM 916 C ARG A 61 22.370 9.966 -1.944 1.00 0.00 C ATOM 917 O ARG A 61 23.032 9.185 -2.628 1.00 0.00 O ATOM 918 CB ARG A 61 22.484 12.465 -1.987 1.00 0.00 C ATOM 919 CG ARG A 61 23.780 12.807 -2.704 1.00 0.00 C ATOM 920 CD ARG A 61 23.516 13.508 -4.027 1.00 0.00 C ATOM 921 NE ARG A 61 22.775 14.754 -3.848 1.00 0.00 N ATOM 922 CZ ARG A 61 23.330 15.885 -3.428 1.00 0.00 C ATOM 923 NH1 ARG A 61 24.625 15.928 -3.146 1.00 0.00 N ATOM 924 NH2 ARG A 61 22.590 16.978 -3.290 1.00 0.00 N ATOM 0 H ARG A 61 20.063 12.082 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 61 21.926 11.202 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.810 13.320 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.696 12.298 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.391 13.447 -2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.351 11.895 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.464 13.718 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.955 12.843 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 61 21.777 14.755 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 61 25.198 15.091 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 61 25.048 16.798 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.594 16.950 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 61 23.018 17.846 -2.967 1.00 0.00 H new ATOM 938 N THR A 62 22.130 9.769 -0.651 1.00 0.00 N ATOM 939 CA THR A 62 22.641 8.599 0.051 1.00 0.00 C ATOM 940 C THR A 62 21.668 7.430 -0.045 1.00 0.00 C ATOM 941 O THR A 62 22.050 6.320 -0.413 1.00 0.00 O ATOM 942 CB THR A 62 22.908 8.908 1.537 1.00 0.00 C ATOM 943 OG1 THR A 62 21.733 9.458 2.142 1.00 0.00 O ATOM 944 CG2 THR A 62 24.066 9.884 1.687 1.00 0.00 C ATOM 0 H THR A 62 21.585 10.405 -0.069 1.00 0.00 H new ATOM 0 HA THR A 62 23.580 8.327 -0.432 1.00 0.00 H new ATOM 0 HB THR A 62 23.171 7.976 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.911 9.650 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.236 10.087 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.966 9.450 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.826 10.815 1.173 1.00 0.00 H new ATOM 952 N GLY A 63 20.406 7.687 0.286 1.00 0.00 N ATOM 953 CA GLY A 63 19.397 6.646 0.229 1.00 0.00 C ATOM 954 C GLY A 63 19.027 6.121 1.602 1.00 0.00 C ATOM 955 O GLY A 63 18.522 5.006 1.734 1.00 0.00 O ATOM 0 H GLY A 63 20.065 8.598 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.504 7.036 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.763 5.823 -0.385 1.00 0.00 H new ATOM 959 N LYS A 64 19.278 6.927 2.629 1.00 0.00 N ATOM 960 CA LYS A 64 18.968 6.539 4.000 1.00 0.00 C ATOM 961 C LYS A 64 18.056 7.566 4.663 1.00 0.00 C ATOM 962 O LYS A 64 17.728 8.594 4.068 1.00 0.00 O ATOM 963 CB LYS A 64 20.256 6.386 4.811 1.00 0.00 C ATOM 964 CG LYS A 64 21.330 5.579 4.102 1.00 0.00 C ATOM 965 CD LYS A 64 22.341 5.012 5.084 1.00 0.00 C ATOM 966 CE LYS A 64 21.785 3.803 5.821 1.00 0.00 C ATOM 967 NZ LYS A 64 22.845 3.073 6.568 1.00 0.00 N ATOM 0 H LYS A 64 19.695 7.853 2.537 1.00 0.00 H new ATOM 0 HA LYS A 64 18.447 5.582 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.650 7.376 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.022 5.907 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.866 4.765 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.842 6.211 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.248 4.729 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.621 5.781 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.009 4.126 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.313 3.128 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.426 2.256 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.573 2.742 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.278 3.710 7.267 1.00 0.00 H new ATOM 981 N CYS A 65 17.652 7.283 5.896 1.00 0.00 N ATOM 982 CA CYS A 65 16.778 8.183 6.640 1.00 0.00 C ATOM 983 C CYS A 65 17.458 8.669 7.916 1.00 0.00 C ATOM 984 O CYS A 65 18.418 8.062 8.389 1.00 0.00 O ATOM 985 CB CYS A 65 15.463 7.483 6.983 1.00 0.00 C ATOM 986 SG CYS A 65 14.686 6.643 5.583 1.00 0.00 S ATOM 0 H CYS A 65 17.916 6.437 6.402 1.00 0.00 H new ATOM 0 HA CYS A 65 16.567 9.047 6.010 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.647 6.755 7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.766 8.219 7.384 1.00 0.00 H new ATOM 0 HG CYS A 65 13.581 6.080 5.974 1.00 0.00 H new ATOM 992 N SER A 66 16.953 9.769 8.467 1.00 0.00 N ATOM 993 CA SER A 66 17.515 10.340 9.685 1.00 0.00 C ATOM 994 C SER A 66 16.528 11.302 10.340 1.00 0.00 C ATOM 995 O SER A 66 15.479 11.610 9.776 1.00 0.00 O ATOM 996 CB SER A 66 18.825 11.068 9.375 1.00 0.00 C ATOM 997 OG SER A 66 18.578 12.370 8.873 1.00 0.00 O ATOM 0 H SER A 66 16.156 10.282 8.089 1.00 0.00 H new ATOM 0 HA SER A 66 17.716 9.525 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.432 11.132 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.399 10.496 8.646 1.00 0.00 H new ATOM 0 HG SER A 66 19.430 12.815 8.684 1.00 0.00 H new ATOM 1003 N ALA A 67 16.873 11.772 11.534 1.00 0.00 N ATOM 1004 CA ALA A 67 16.020 12.700 12.265 1.00 0.00 C ATOM 1005 C ALA A 67 16.525 14.132 12.132 1.00 0.00 C ATOM 1006 O ALA A 67 17.588 14.375 11.559 1.00 0.00 O ATOM 1007 CB ALA A 67 15.941 12.300 13.731 1.00 0.00 C ATOM 0 H ALA A 67 17.738 11.525 12.016 1.00 0.00 H new ATOM 0 HA ALA A 67 15.021 12.654 11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.301 13.002 14.266 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.526 11.295 13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.940 12.316 14.167 1.00 0.00 H new ATOM 1013 N CYS A 68 15.757 15.077 12.663 1.00 0.00 N ATOM 1014 CA CYS A 68 16.127 16.487 12.601 1.00 0.00 C ATOM 1015 C CYS A 68 15.248 17.320 13.528 1.00 0.00 C ATOM 1016 O CYS A 68 14.071 17.018 13.722 1.00 0.00 O ATOM 1017 CB CYS A 68 16.010 17.004 11.167 1.00 0.00 C ATOM 1018 SG CYS A 68 17.147 18.353 10.774 1.00 0.00 S ATOM 0 H CYS A 68 14.875 14.893 13.141 1.00 0.00 H new ATOM 0 HA CYS A 68 17.162 16.581 12.929 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.191 16.178 10.479 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.988 17.343 10.997 1.00 0.00 H new ATOM 0 HG CYS A 68 16.974 18.720 9.539 1.00 0.00 H new ATOM 1024 N ASN A 69 15.828 18.371 14.099 1.00 0.00 N ATOM 1025 CA ASN A 69 15.098 19.247 15.008 1.00 0.00 C ATOM 1026 C ASN A 69 14.443 18.445 16.129 1.00 0.00 C ATOM 1027 O ASN A 69 13.299 18.703 16.505 1.00 0.00 O ATOM 1028 CB ASN A 69 14.035 20.038 14.244 1.00 0.00 C ATOM 1029 CG ASN A 69 14.642 21.057 13.298 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.657 21.681 13.608 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.021 21.229 12.137 1.00 0.00 N ATOM 0 H ASN A 69 16.801 18.637 13.948 1.00 0.00 H new ATOM 0 HA ASN A 69 15.810 19.943 15.452 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.409 19.348 13.678 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.385 20.548 14.955 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.383 21.900 11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.182 20.690 11.922 1.00 0.00 H new ATOM 1038 N VAL A 70 15.176 17.470 16.658 1.00 0.00 N ATOM 1039 CA VAL A 70 14.667 16.631 17.736 1.00 0.00 C ATOM 1040 C VAL A 70 14.308 17.466 18.960 1.00 0.00 C ATOM 1041 O VAL A 70 15.170 18.106 19.562 1.00 0.00 O ATOM 1042 CB VAL A 70 15.694 15.558 18.144 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.083 14.584 19.139 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.214 14.824 16.917 1.00 0.00 C ATOM 0 H VAL A 70 16.124 17.242 16.357 1.00 0.00 H new ATOM 0 HA VAL A 70 13.770 16.141 17.359 1.00 0.00 H new ATOM 0 HB VAL A 70 16.537 16.052 18.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.824 13.834 19.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.765 15.126 20.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.221 14.094 18.686 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.938 14.070 17.224 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.383 14.341 16.403 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.693 15.535 16.244 1.00 0.00 H new ATOM 1054 N TRP A 71 13.030 17.454 19.322 1.00 0.00 N ATOM 1055 CA TRP A 71 12.556 18.211 20.476 1.00 0.00 C ATOM 1056 C TRP A 71 12.004 17.278 21.549 1.00 0.00 C ATOM 1057 O TRP A 71 11.257 16.347 21.250 1.00 0.00 O ATOM 1058 CB TRP A 71 11.480 19.210 20.048 1.00 0.00 C ATOM 1059 CG TRP A 71 10.741 19.817 21.203 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.673 19.281 21.864 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.014 21.075 21.829 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.265 20.131 22.864 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.072 21.238 22.864 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.962 22.079 21.617 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.054 22.364 23.683 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.942 23.196 22.430 1.00 0.00 C ATOM 1067 CH2 TRP A 71 10.994 23.331 23.453 1.00 0.00 C ATOM 0 H TRP A 71 12.304 16.929 18.834 1.00 0.00 H new ATOM 0 HA TRP A 71 13.402 18.756 20.895 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.944 20.005 19.464 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.768 18.708 19.393 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.216 18.330 21.635 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.487 19.965 23.503 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.697 21.984 20.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.324 22.470 24.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.670 23.979 22.274 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.006 24.216 24.072 1.00 0.00 H new ATOM 1078 N ARG A 72 12.377 17.535 22.798 1.00 0.00 N ATOM 1079 CA ARG A 72 11.919 16.718 23.915 1.00 0.00 C ATOM 1080 C ARG A 72 10.653 17.302 24.534 1.00 0.00 C ATOM 1081 O ARG A 72 10.626 18.464 24.940 1.00 0.00 O ATOM 1082 CB ARG A 72 13.015 16.609 24.977 1.00 0.00 C ATOM 1083 CG ARG A 72 12.829 15.436 25.926 1.00 0.00 C ATOM 1084 CD ARG A 72 13.522 15.680 27.257 1.00 0.00 C ATOM 1085 NE ARG A 72 12.647 16.348 28.216 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.988 16.591 29.476 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.179 16.223 29.928 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.136 17.205 30.289 1.00 0.00 N ATOM 0 H ARG A 72 12.995 18.302 23.062 1.00 0.00 H new ATOM 0 HA ARG A 72 11.690 15.723 23.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.981 16.515 24.481 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.042 17.533 25.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.765 15.268 26.094 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.226 14.530 25.468 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.855 14.729 27.672 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.413 16.287 27.096 1.00 0.00 H new ATOM 0 HE ARG A 72 11.723 16.644 27.901 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.837 15.752 29.307 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.437 16.411 30.897 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.219 17.490 29.946 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.399 17.391 31.257 1.00 0.00 H new ATOM 1102 N VAL A 73 9.603 16.489 24.601 1.00 0.00 N ATOM 1103 CA VAL A 73 8.334 16.925 25.171 1.00 0.00 C ATOM 1104 C VAL A 73 8.148 16.379 26.582 1.00 0.00 C ATOM 1105 O VAL A 73 7.477 16.992 27.412 1.00 0.00 O ATOM 1106 CB VAL A 73 7.145 16.478 24.299 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.217 17.126 22.925 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.112 14.962 24.181 1.00 0.00 C ATOM 0 H VAL A 73 9.607 15.525 24.268 1.00 0.00 H new ATOM 0 HA VAL A 73 8.361 18.014 25.207 1.00 0.00 H new ATOM 0 HB VAL A 73 6.222 16.803 24.779 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.369 16.798 22.323 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.189 18.210 23.032 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.145 16.834 22.433 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.266 14.664 23.562 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.038 14.612 23.724 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.009 14.522 25.173 1.00 0.00 H new ATOM 1118 N SER A 74 8.748 15.223 26.847 1.00 0.00 N ATOM 1119 CA SER A 74 8.646 14.592 28.158 1.00 0.00 C ATOM 1120 C SER A 74 9.998 14.042 28.603 1.00 0.00 C ATOM 1121 O SER A 74 10.893 13.830 27.786 1.00 0.00 O ATOM 1122 CB SER A 74 7.611 13.467 28.127 1.00 0.00 C ATOM 1123 OG SER A 74 7.551 12.794 29.373 1.00 0.00 O ATOM 0 H SER A 74 9.310 14.704 26.172 1.00 0.00 H new ATOM 0 HA SER A 74 8.328 15.349 28.874 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.631 13.877 27.884 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.864 12.758 27.339 1.00 0.00 H new ATOM 0 HG SER A 74 6.881 12.081 29.327 1.00 0.00 H new