USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 12 THR OG1 : rot 180:sc= 0.0254 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.0203 K(o=0.0051,f=-0.85) USER MOD Single : A 15 CYS SG : rot 31:sc= 0.325 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0602) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.369 (180deg=-1.34) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 60:sc= 1.14 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00625 K(o=-0.0063,f=-0.93) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.452 14.871 11.567 1.00 0.00 N ATOM 67 CA LEU A 8 6.162 14.697 12.830 1.00 0.00 C ATOM 68 C LEU A 8 5.783 13.376 13.490 1.00 0.00 C ATOM 69 O LEU A 8 4.643 12.923 13.387 1.00 0.00 O ATOM 70 CB LEU A 8 5.854 15.860 13.775 1.00 0.00 C ATOM 71 CG LEU A 8 6.080 17.263 13.210 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.193 18.273 13.920 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.544 17.657 13.332 1.00 0.00 C ATOM 0 HA LEU A 8 7.231 14.682 12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.813 15.780 14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.467 15.747 14.669 1.00 0.00 H new ATOM 0 HG LEU A 8 5.813 17.256 12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.367 19.266 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.147 18.000 13.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.428 18.279 14.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.686 18.658 12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.837 17.647 14.382 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.159 16.949 12.777 1.00 0.00 H new ATOM 85 N ARG A 9 6.746 12.763 14.171 1.00 0.00 N ATOM 86 CA ARG A 9 6.514 11.494 14.849 1.00 0.00 C ATOM 87 C ARG A 9 7.204 11.470 16.210 1.00 0.00 C ATOM 88 O ARG A 9 8.319 11.969 16.360 1.00 0.00 O ATOM 89 CB ARG A 9 7.017 10.332 13.990 1.00 0.00 C ATOM 90 CG ARG A 9 6.306 10.212 12.652 1.00 0.00 C ATOM 91 CD ARG A 9 4.917 9.613 12.810 1.00 0.00 C ATOM 92 NE ARG A 9 4.285 9.349 11.521 1.00 0.00 N ATOM 93 CZ ARG A 9 3.031 8.932 11.389 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.278 8.734 12.462 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.526 8.714 10.181 1.00 0.00 N ATOM 0 H ARG A 9 7.695 13.125 14.268 1.00 0.00 H new ATOM 0 HA ARG A 9 5.440 11.385 15.003 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.085 10.457 13.814 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.892 9.401 14.543 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.228 11.196 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.897 9.590 11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.985 8.685 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.292 10.294 13.387 1.00 0.00 H new ATOM 0 HE ARG A 9 4.837 9.493 10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.661 8.902 13.392 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.315 8.414 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.101 8.867 9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.563 8.394 10.081 1.00 0.00 H new ATOM 109 N ARG A 10 6.532 10.888 17.198 1.00 0.00 N ATOM 110 CA ARG A 10 7.080 10.801 18.547 1.00 0.00 C ATOM 111 C ARG A 10 7.525 9.376 18.862 1.00 0.00 C ATOM 112 O ARG A 10 6.814 8.414 18.572 1.00 0.00 O ATOM 113 CB ARG A 10 6.042 11.261 19.572 1.00 0.00 C ATOM 114 CG ARG A 10 5.888 12.771 19.647 1.00 0.00 C ATOM 115 CD ARG A 10 4.519 13.166 20.180 1.00 0.00 C ATOM 116 NE ARG A 10 4.303 12.687 21.543 1.00 0.00 N ATOM 117 CZ ARG A 10 3.157 12.828 22.198 1.00 0.00 C ATOM 118 NH1 ARG A 10 2.127 13.429 21.618 1.00 0.00 N ATOM 119 NH2 ARG A 10 3.038 12.366 23.436 1.00 0.00 N ATOM 0 H ARG A 10 5.608 10.470 17.090 1.00 0.00 H new ATOM 0 HA ARG A 10 7.950 11.455 18.602 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.078 10.818 19.324 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.323 10.884 20.555 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.664 13.185 20.291 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.032 13.202 18.656 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.421 14.251 20.157 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.745 12.762 19.527 1.00 0.00 H new ATOM 0 HE ARG A 10 5.075 12.219 22.017 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.214 13.784 20.666 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.248 13.536 22.124 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.827 11.902 23.885 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.157 12.475 23.938 1.00 0.00 H new ATOM 133 N ALA A 11 8.707 9.249 19.457 1.00 0.00 N ATOM 134 CA ALA A 11 9.246 7.942 19.813 1.00 0.00 C ATOM 135 C ALA A 11 10.181 8.042 21.013 1.00 0.00 C ATOM 136 O ALA A 11 10.771 9.093 21.268 1.00 0.00 O ATOM 137 CB ALA A 11 9.973 7.330 18.624 1.00 0.00 C ATOM 0 H ALA A 11 9.309 10.035 19.702 1.00 0.00 H new ATOM 0 HA ALA A 11 8.413 7.295 20.088 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.371 6.354 18.904 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.278 7.214 17.793 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.792 7.983 18.323 1.00 0.00 H new ATOM 143 N THR A 12 10.312 6.943 21.749 1.00 0.00 N ATOM 144 CA THR A 12 11.174 6.908 22.924 1.00 0.00 C ATOM 145 C THR A 12 12.556 6.366 22.576 1.00 0.00 C ATOM 146 O THR A 12 12.682 5.384 21.844 1.00 0.00 O ATOM 147 CB THR A 12 10.563 6.044 24.043 1.00 0.00 C ATOM 148 OG1 THR A 12 9.930 4.889 23.480 1.00 0.00 O ATOM 149 CG2 THR A 12 9.549 6.841 24.850 1.00 0.00 C ATOM 0 H THR A 12 9.832 6.065 21.552 1.00 0.00 H new ATOM 0 HA THR A 12 11.268 7.935 23.278 1.00 0.00 H new ATOM 0 HB THR A 12 11.367 5.729 24.709 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.546 4.344 24.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.131 6.210 25.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.040 7.703 25.301 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.748 7.182 24.193 1.00 0.00 H new ATOM 157 N VAL A 13 13.590 7.012 23.105 1.00 0.00 N ATOM 158 CA VAL A 13 14.964 6.593 22.852 1.00 0.00 C ATOM 159 C VAL A 13 15.331 5.376 23.693 1.00 0.00 C ATOM 160 O VAL A 13 14.882 5.237 24.831 1.00 0.00 O ATOM 161 CB VAL A 13 15.960 7.729 23.149 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.378 7.299 22.805 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.576 8.988 22.387 1.00 0.00 C ATOM 0 H VAL A 13 13.503 7.827 23.711 1.00 0.00 H new ATOM 0 HA VAL A 13 15.027 6.332 21.795 1.00 0.00 H new ATOM 0 HB VAL A 13 15.922 7.952 24.215 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.068 8.114 23.021 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.648 6.427 23.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.435 7.047 21.746 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.291 9.780 22.609 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.584 8.782 21.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.578 9.305 22.688 1.00 0.00 H new ATOM 173 N GLU A 14 16.151 4.497 23.126 1.00 0.00 N ATOM 174 CA GLU A 14 16.579 3.291 23.825 1.00 0.00 C ATOM 175 C GLU A 14 17.718 3.598 24.793 1.00 0.00 C ATOM 176 O GLU A 14 17.606 3.359 25.996 1.00 0.00 O ATOM 177 CB GLU A 14 17.021 2.223 22.822 1.00 0.00 C ATOM 178 CG GLU A 14 17.022 0.815 23.393 1.00 0.00 C ATOM 179 CD GLU A 14 18.303 0.488 24.136 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.392 0.722 23.571 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.217 -0.002 25.281 1.00 0.00 O ATOM 0 H GLU A 14 16.532 4.597 22.185 1.00 0.00 H new ATOM 0 HA GLU A 14 15.731 2.913 24.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.360 2.254 21.956 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.023 2.463 22.467 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.175 0.701 24.069 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.883 0.098 22.583 1.00 0.00 H new ATOM 188 N CYS A 15 18.813 4.127 24.259 1.00 0.00 N ATOM 189 CA CYS A 15 19.974 4.466 25.075 1.00 0.00 C ATOM 190 C CYS A 15 20.793 5.575 24.422 1.00 0.00 C ATOM 191 O CYS A 15 20.941 5.614 23.200 1.00 0.00 O ATOM 192 CB CYS A 15 20.849 3.230 25.291 1.00 0.00 C ATOM 193 SG CYS A 15 20.411 2.263 26.754 1.00 0.00 S ATOM 0 H CYS A 15 18.922 4.330 23.265 1.00 0.00 H new ATOM 0 HA CYS A 15 19.617 4.824 26.041 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.779 2.590 24.411 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.889 3.544 25.374 1.00 0.00 H new ATOM 0 HG CYS A 15 19.133 2.360 26.972 1.00 0.00 H new ATOM 199 N VAL A 16 21.320 6.476 25.244 1.00 0.00 N ATOM 200 CA VAL A 16 22.123 7.587 24.746 1.00 0.00 C ATOM 201 C VAL A 16 23.388 7.767 25.578 1.00 0.00 C ATOM 202 O VAL A 16 23.347 8.314 26.681 1.00 0.00 O ATOM 203 CB VAL A 16 21.325 8.904 24.754 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.116 10.013 24.076 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.974 8.713 24.081 1.00 0.00 C ATOM 0 H VAL A 16 21.206 6.459 26.257 1.00 0.00 H new ATOM 0 HA VAL A 16 22.398 7.344 23.720 1.00 0.00 H new ATOM 0 HB VAL A 16 21.151 9.196 25.790 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.536 10.936 24.092 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.056 10.166 24.607 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.324 9.733 23.043 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.424 9.654 24.096 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.123 8.396 23.049 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.406 7.952 24.616 1.00 0.00 H new ATOM 215 N LYS A 17 24.512 7.304 25.043 1.00 0.00 N ATOM 216 CA LYS A 17 25.791 7.414 25.734 1.00 0.00 C ATOM 217 C LYS A 17 26.833 8.088 24.847 1.00 0.00 C ATOM 218 O LYS A 17 27.626 8.905 25.314 1.00 0.00 O ATOM 219 CB LYS A 17 26.286 6.030 26.159 1.00 0.00 C ATOM 220 CG LYS A 17 25.426 5.379 27.229 1.00 0.00 C ATOM 221 CD LYS A 17 25.525 3.863 27.177 1.00 0.00 C ATOM 222 CE LYS A 17 26.828 3.368 27.785 1.00 0.00 C ATOM 223 NZ LYS A 17 26.864 1.883 27.885 1.00 0.00 N ATOM 0 H LYS A 17 24.563 6.848 24.132 1.00 0.00 H new ATOM 0 HA LYS A 17 25.643 8.029 26.622 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.317 5.380 25.285 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.308 6.116 26.529 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.738 5.732 28.212 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.387 5.682 27.096 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.683 3.424 27.712 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.455 3.528 26.142 1.00 0.00 H new ATOM 0 HE2 LYS A 17 27.666 3.712 27.178 1.00 0.00 H new ATOM 0 HE3 LYS A 17 26.954 3.802 28.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 27.768 1.585 28.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 26.080 1.556 28.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 26.769 1.469 26.936 1.00 0.00 H new ATOM 237 N ASP A 18 26.824 7.741 23.564 1.00 0.00 N ATOM 238 CA ASP A 18 27.767 8.314 22.611 1.00 0.00 C ATOM 239 C ASP A 18 27.123 9.455 21.829 1.00 0.00 C ATOM 240 O ASP A 18 25.920 9.691 21.936 1.00 0.00 O ATOM 241 CB ASP A 18 28.267 7.237 21.646 1.00 0.00 C ATOM 242 CG ASP A 18 29.232 6.272 22.306 1.00 0.00 C ATOM 243 OD1 ASP A 18 28.878 5.709 23.363 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.340 6.078 21.764 1.00 0.00 O ATOM 0 H ASP A 18 26.174 7.066 23.161 1.00 0.00 H new ATOM 0 HA ASP A 18 28.614 8.712 23.170 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.415 6.682 21.252 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.757 7.713 20.797 1.00 0.00 H new ATOM 249 N GLN A 19 27.933 10.159 21.046 1.00 0.00 N ATOM 250 CA GLN A 19 27.442 11.277 20.248 1.00 0.00 C ATOM 251 C GLN A 19 26.237 10.861 19.411 1.00 0.00 C ATOM 252 O GLN A 19 25.357 11.672 19.125 1.00 0.00 O ATOM 253 CB GLN A 19 28.551 11.808 19.338 1.00 0.00 C ATOM 254 CG GLN A 19 29.585 12.651 20.068 1.00 0.00 C ATOM 255 CD GLN A 19 30.861 12.829 19.269 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.483 11.855 18.844 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.260 14.079 19.061 1.00 0.00 N ATOM 0 H GLN A 19 28.931 9.976 20.947 1.00 0.00 H new ATOM 0 HA GLN A 19 27.132 12.068 20.930 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.052 10.966 18.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.103 12.405 18.543 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.160 13.630 20.289 1.00 0.00 H new ATOM 0 HG3 GLN A 19 29.821 12.183 21.023 1.00 0.00 H new ATOM 0 HE21 GLN A 19 30.714 14.857 19.431 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.112 14.261 18.531 1.00 0.00 H new ATOM 266 N PHE A 20 26.205 9.591 19.020 1.00 0.00 N ATOM 267 CA PHE A 20 25.108 9.067 18.214 1.00 0.00 C ATOM 268 C PHE A 20 24.290 8.050 19.005 1.00 0.00 C ATOM 269 O PHE A 20 24.839 7.240 19.751 1.00 0.00 O ATOM 270 CB PHE A 20 25.650 8.420 16.938 1.00 0.00 C ATOM 271 CG PHE A 20 26.814 7.502 17.178 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.608 6.189 17.572 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.114 7.951 17.010 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.677 5.341 17.793 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.186 7.108 17.229 1.00 0.00 C ATOM 276 CZ PHE A 20 28.968 5.802 17.623 1.00 0.00 C ATOM 0 H PHE A 20 26.926 8.906 19.248 1.00 0.00 H new ATOM 0 HA PHE A 20 24.458 9.899 17.944 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.849 7.859 16.456 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.953 9.204 16.244 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.601 5.824 17.708 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.291 8.972 16.704 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.503 4.320 18.098 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.194 7.470 17.092 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.805 5.143 17.798 1.00 0.00 H new ATOM 286 N GLY A 21 22.972 8.100 18.835 1.00 0.00 N ATOM 287 CA GLY A 21 22.098 7.180 19.539 1.00 0.00 C ATOM 288 C GLY A 21 21.070 6.543 18.626 1.00 0.00 C ATOM 289 O GLY A 21 21.033 6.825 17.428 1.00 0.00 O ATOM 0 H GLY A 21 22.494 8.761 18.222 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.698 6.399 20.006 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.587 7.712 20.341 1.00 0.00 H new ATOM 293 N PHE A 22 20.233 5.679 19.191 1.00 0.00 N ATOM 294 CA PHE A 22 19.201 4.997 18.418 1.00 0.00 C ATOM 295 C PHE A 22 17.834 5.159 19.076 1.00 0.00 C ATOM 296 O PHE A 22 17.697 5.018 20.292 1.00 0.00 O ATOM 297 CB PHE A 22 19.538 3.512 18.275 1.00 0.00 C ATOM 298 CG PHE A 22 20.964 3.256 17.878 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.353 3.339 16.551 1.00 0.00 C ATOM 300 CD2 PHE A 22 21.915 2.934 18.832 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.664 3.105 16.182 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.228 2.699 18.469 1.00 0.00 C ATOM 303 CZ PHE A 22 23.603 2.783 17.142 1.00 0.00 C ATOM 0 H PHE A 22 20.249 5.434 20.181 1.00 0.00 H new ATOM 0 HA PHE A 22 19.165 5.450 17.427 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.337 3.009 19.221 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.877 3.068 17.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.623 3.590 15.796 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.628 2.866 19.871 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.954 3.174 15.144 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.960 2.450 19.223 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.628 2.597 16.856 1.00 0.00 H new ATOM 313 N ILE A 23 16.825 5.456 18.264 1.00 0.00 N ATOM 314 CA ILE A 23 15.468 5.637 18.766 1.00 0.00 C ATOM 315 C ILE A 23 14.600 4.423 18.454 1.00 0.00 C ATOM 316 O ILE A 23 14.798 3.750 17.443 1.00 0.00 O ATOM 317 CB ILE A 23 14.809 6.893 18.168 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.743 8.098 18.298 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.479 7.171 18.853 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.194 9.359 17.670 1.00 0.00 C ATOM 0 H ILE A 23 16.921 5.576 17.256 1.00 0.00 H new ATOM 0 HA ILE A 23 15.545 5.757 19.847 1.00 0.00 H new ATOM 0 HB ILE A 23 14.620 6.716 17.109 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.939 8.283 19.354 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.700 7.858 17.834 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.025 8.062 18.419 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.813 6.320 18.713 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.645 7.330 19.918 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.909 10.171 17.800 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.025 9.192 16.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.252 9.624 18.150 1.00 0.00 H new ATOM 332 N ASN A 24 13.637 4.150 19.328 1.00 0.00 N ATOM 333 CA ASN A 24 12.737 3.017 19.145 1.00 0.00 C ATOM 334 C ASN A 24 11.652 3.344 18.123 1.00 0.00 C ATOM 335 O ASN A 24 10.465 3.373 18.450 1.00 0.00 O ATOM 336 CB ASN A 24 12.097 2.626 20.479 1.00 0.00 C ATOM 337 CG ASN A 24 13.122 2.187 21.506 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.064 1.461 21.188 1.00 0.00 O ATOM 339 ND2 ASN A 24 12.943 2.627 22.746 1.00 0.00 N ATOM 0 H ASN A 24 13.460 4.698 20.170 1.00 0.00 H new ATOM 0 HA ASN A 24 13.322 2.177 18.771 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.534 3.473 20.871 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.384 1.819 20.314 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.601 2.365 23.480 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.148 3.227 22.964 1.00 0.00 H new ATOM 346 N TYR A 25 12.067 3.589 16.886 1.00 0.00 N ATOM 347 CA TYR A 25 11.132 3.916 15.816 1.00 0.00 C ATOM 348 C TYR A 25 11.395 3.060 14.581 1.00 0.00 C ATOM 349 O TYR A 25 12.527 2.965 14.109 1.00 0.00 O ATOM 350 CB TYR A 25 11.236 5.398 15.454 1.00 0.00 C ATOM 351 CG TYR A 25 10.149 5.870 14.515 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.860 6.107 14.975 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.413 6.080 13.166 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.864 6.537 14.119 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.423 6.511 12.304 1.00 0.00 C ATOM 356 CZ TYR A 25 8.151 6.738 12.785 1.00 0.00 C ATOM 357 OH TYR A 25 7.162 7.168 11.930 1.00 0.00 O ATOM 0 H TYR A 25 13.045 3.567 16.599 1.00 0.00 H new ATOM 0 HA TYR A 25 10.124 3.706 16.173 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.197 5.990 16.368 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.207 5.584 14.995 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.632 5.953 16.019 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.408 5.903 12.786 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.866 6.715 14.493 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.644 6.669 11.259 1.00 0.00 H new ATOM 0 HH TYR A 25 7.529 7.261 11.026 1.00 0.00 H new ATOM 367 N GLU A 26 10.340 2.438 14.064 1.00 0.00 N ATOM 368 CA GLU A 26 10.457 1.589 12.884 1.00 0.00 C ATOM 369 C GLU A 26 10.142 2.376 11.615 1.00 0.00 C ATOM 370 O GLU A 26 9.161 3.117 11.558 1.00 0.00 O ATOM 371 CB GLU A 26 9.518 0.387 12.998 1.00 0.00 C ATOM 372 CG GLU A 26 9.914 -0.782 12.112 1.00 0.00 C ATOM 373 CD GLU A 26 9.159 -0.799 10.797 1.00 0.00 C ATOM 374 OE1 GLU A 26 7.923 -0.977 10.825 1.00 0.00 O ATOM 375 OE2 GLU A 26 9.804 -0.635 9.740 1.00 0.00 O ATOM 0 H GLU A 26 9.396 2.506 14.443 1.00 0.00 H new ATOM 0 HA GLU A 26 11.485 1.233 12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.493 0.053 14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.507 0.701 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.984 -0.735 11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.730 -1.715 12.644 1.00 0.00 H new ATOM 382 N VAL A 27 10.983 2.209 10.599 1.00 0.00 N ATOM 383 CA VAL A 27 10.795 2.902 9.330 1.00 0.00 C ATOM 384 C VAL A 27 10.872 1.931 8.157 1.00 0.00 C ATOM 385 O VAL A 27 10.105 2.034 7.200 1.00 0.00 O ATOM 386 CB VAL A 27 11.846 4.010 9.135 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.586 5.167 10.088 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.249 3.454 9.329 1.00 0.00 C ATOM 0 H VAL A 27 11.801 1.600 10.630 1.00 0.00 H new ATOM 0 HA VAL A 27 9.803 3.353 9.360 1.00 0.00 H new ATOM 0 HB VAL A 27 11.767 4.386 8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.339 5.940 9.935 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.596 5.581 9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.636 4.810 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.979 4.251 9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.344 3.050 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.430 2.662 8.602 1.00 0.00 H new ATOM 398 N GLY A 28 11.805 0.987 8.237 1.00 0.00 N ATOM 399 CA GLY A 28 11.966 0.010 7.176 1.00 0.00 C ATOM 400 C GLY A 28 12.293 -1.372 7.705 1.00 0.00 C ATOM 401 O GLY A 28 11.399 -2.121 8.098 1.00 0.00 O ATOM 0 H GLY A 28 12.452 0.882 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.050 -0.037 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.760 0.336 6.504 1.00 0.00 H new ATOM 405 N ASP A 29 13.577 -1.712 7.712 1.00 0.00 N ATOM 406 CA ASP A 29 14.020 -3.014 8.196 1.00 0.00 C ATOM 407 C ASP A 29 14.940 -2.861 9.404 1.00 0.00 C ATOM 408 O ASP A 29 14.932 -3.693 10.311 1.00 0.00 O ATOM 409 CB ASP A 29 14.742 -3.777 7.084 1.00 0.00 C ATOM 410 CG ASP A 29 13.791 -4.284 6.018 1.00 0.00 C ATOM 411 OD1 ASP A 29 13.253 -3.452 5.257 1.00 0.00 O ATOM 412 OD2 ASP A 29 13.584 -5.513 5.945 1.00 0.00 O ATOM 0 H ASP A 29 14.329 -1.104 7.388 1.00 0.00 H new ATOM 0 HA ASP A 29 13.139 -3.579 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.485 -3.126 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.281 -4.620 7.517 1.00 0.00 H new ATOM 417 N SER A 30 15.731 -1.793 9.408 1.00 0.00 N ATOM 418 CA SER A 30 16.660 -1.533 10.501 1.00 0.00 C ATOM 419 C SER A 30 15.919 -1.440 11.832 1.00 0.00 C ATOM 420 O SER A 30 16.479 -1.728 12.890 1.00 0.00 O ATOM 421 CB SER A 30 17.435 -0.240 10.244 1.00 0.00 C ATOM 422 OG SER A 30 18.498 -0.455 9.331 1.00 0.00 O ATOM 0 H SER A 30 15.747 -1.093 8.666 1.00 0.00 H new ATOM 0 HA SER A 30 17.363 -2.364 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.760 0.520 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.831 0.143 11.184 1.00 0.00 H new ATOM 0 HG SER A 30 18.977 0.387 9.182 1.00 0.00 H new ATOM 428 N LYS A 31 14.656 -1.033 11.771 1.00 0.00 N ATOM 429 CA LYS A 31 13.835 -0.902 12.969 1.00 0.00 C ATOM 430 C LYS A 31 14.478 0.058 13.966 1.00 0.00 C ATOM 431 O LYS A 31 14.235 -0.026 15.170 1.00 0.00 O ATOM 432 CB LYS A 31 13.628 -2.270 13.623 1.00 0.00 C ATOM 433 CG LYS A 31 12.255 -2.442 14.251 1.00 0.00 C ATOM 434 CD LYS A 31 12.196 -3.678 15.132 1.00 0.00 C ATOM 435 CE LYS A 31 11.073 -3.581 16.154 1.00 0.00 C ATOM 436 NZ LYS A 31 10.778 -4.900 16.779 1.00 0.00 N ATOM 0 H LYS A 31 14.178 -0.788 10.904 1.00 0.00 H new ATOM 0 HA LYS A 31 12.867 -0.498 12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.776 -3.048 12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.390 -2.416 14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.012 -1.560 14.843 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.502 -2.517 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.049 -4.562 14.511 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.148 -3.805 15.647 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.348 -2.865 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.174 -3.199 15.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.008 -4.793 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.492 -5.577 16.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.629 -5.253 17.262 1.00 0.00 H new ATOM 450 N LYS A 32 15.299 0.970 13.457 1.00 0.00 N ATOM 451 CA LYS A 32 15.976 1.947 14.301 1.00 0.00 C ATOM 452 C LYS A 32 16.244 3.237 13.533 1.00 0.00 C ATOM 453 O LYS A 32 16.272 3.244 12.301 1.00 0.00 O ATOM 454 CB LYS A 32 17.292 1.372 14.829 1.00 0.00 C ATOM 455 CG LYS A 32 17.113 0.128 15.682 1.00 0.00 C ATOM 456 CD LYS A 32 18.387 -0.219 16.435 1.00 0.00 C ATOM 457 CE LYS A 32 18.167 -1.376 17.398 1.00 0.00 C ATOM 458 NZ LYS A 32 19.436 -1.806 18.048 1.00 0.00 N ATOM 0 H LYS A 32 15.512 1.053 12.463 1.00 0.00 H new ATOM 0 HA LYS A 32 15.323 2.176 15.143 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.939 1.134 13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.802 2.135 15.417 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.301 0.286 16.392 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.824 -0.710 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.171 -0.480 15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.734 0.654 16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.449 -1.080 18.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.731 -2.218 16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.244 -2.596 18.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.112 -2.113 17.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.839 -1.010 18.582 1.00 0.00 H new ATOM 472 N LEU A 33 16.444 4.327 14.266 1.00 0.00 N ATOM 473 CA LEU A 33 16.712 5.623 13.652 1.00 0.00 C ATOM 474 C LEU A 33 18.066 6.166 14.098 1.00 0.00 C ATOM 475 O LEU A 33 18.544 5.852 15.188 1.00 0.00 O ATOM 476 CB LEU A 33 15.607 6.618 14.012 1.00 0.00 C ATOM 477 CG LEU A 33 15.573 7.908 13.192 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.201 7.613 11.747 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.598 8.903 13.804 1.00 0.00 C ATOM 0 H LEU A 33 16.426 4.339 15.286 1.00 0.00 H new ATOM 0 HA LEU A 33 16.733 5.488 12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.645 6.117 13.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.712 6.882 15.064 1.00 0.00 H new ATOM 0 HG LEU A 33 16.569 8.351 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.182 8.543 11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.938 6.937 11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.216 7.147 11.713 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.587 9.815 13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.598 8.469 13.822 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.910 9.139 14.822 1.00 0.00 H new ATOM 491 N PHE A 34 18.678 6.984 13.248 1.00 0.00 N ATOM 492 CA PHE A 34 19.977 7.573 13.555 1.00 0.00 C ATOM 493 C PHE A 34 19.872 9.090 13.673 1.00 0.00 C ATOM 494 O PHE A 34 19.166 9.737 12.899 1.00 0.00 O ATOM 495 CB PHE A 34 20.996 7.203 12.474 1.00 0.00 C ATOM 496 CG PHE A 34 22.307 7.921 12.617 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.237 7.513 13.559 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.610 9.005 11.808 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.444 8.172 13.692 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.816 9.668 11.936 1.00 0.00 C ATOM 501 CZ PHE A 34 24.735 9.251 12.879 1.00 0.00 C ATOM 0 H PHE A 34 18.296 7.254 12.342 1.00 0.00 H new ATOM 0 HA PHE A 34 20.312 7.174 14.513 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.174 6.128 12.506 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.573 7.427 11.495 1.00 0.00 H new ATOM 0 HD1 PHE A 34 23.016 6.670 14.197 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.895 9.335 11.069 1.00 0.00 H new ATOM 0 HE1 PHE A 34 25.160 7.844 14.431 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.040 10.511 11.299 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.678 9.767 12.981 1.00 0.00 H new ATOM 511 N PHE A 35 20.580 9.652 14.648 1.00 0.00 N ATOM 512 CA PHE A 35 20.566 11.093 14.869 1.00 0.00 C ATOM 513 C PHE A 35 21.838 11.547 15.579 1.00 0.00 C ATOM 514 O PHE A 35 22.283 10.920 16.541 1.00 0.00 O ATOM 515 CB PHE A 35 19.339 11.492 15.693 1.00 0.00 C ATOM 516 CG PHE A 35 19.435 11.099 17.139 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.330 9.771 17.519 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.630 12.059 18.120 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.418 9.406 18.849 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.719 11.700 19.452 1.00 0.00 C ATOM 521 CZ PHE A 35 19.612 10.372 19.817 1.00 0.00 C ATOM 0 H PHE A 35 21.170 9.131 15.297 1.00 0.00 H new ATOM 0 HA PHE A 35 20.518 11.584 13.897 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.202 12.571 15.626 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.453 11.030 15.257 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.177 9.011 16.767 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.713 13.099 17.840 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.335 8.367 19.131 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.872 12.457 20.207 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.680 10.090 20.857 1.00 0.00 H new ATOM 531 N HIS A 36 22.420 12.640 15.096 1.00 0.00 N ATOM 532 CA HIS A 36 23.642 13.178 15.683 1.00 0.00 C ATOM 533 C HIS A 36 23.319 14.227 16.743 1.00 0.00 C ATOM 534 O HIS A 36 22.232 14.805 16.749 1.00 0.00 O ATOM 535 CB HIS A 36 24.529 13.789 14.598 1.00 0.00 C ATOM 536 CG HIS A 36 25.965 13.919 15.000 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.565 15.130 15.271 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.923 12.978 15.179 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.830 14.930 15.597 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.072 13.633 15.550 1.00 0.00 N ATOM 0 H HIS A 36 22.065 13.170 14.300 1.00 0.00 H new ATOM 0 HA HIS A 36 24.178 12.358 16.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.466 13.174 13.700 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.143 14.774 14.337 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.805 11.912 15.053 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.544 15.697 15.858 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.967 13.189 15.756 1.00 0.00 H new ATOM 548 N VAL A 37 24.270 14.468 17.640 1.00 0.00 N ATOM 549 CA VAL A 37 24.087 15.447 18.705 1.00 0.00 C ATOM 550 C VAL A 37 23.727 16.815 18.137 1.00 0.00 C ATOM 551 O VAL A 37 23.096 17.632 18.809 1.00 0.00 O ATOM 552 CB VAL A 37 25.355 15.580 19.569 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.514 14.368 20.475 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.583 15.762 18.689 1.00 0.00 C ATOM 0 H VAL A 37 25.175 13.998 17.650 1.00 0.00 H new ATOM 0 HA VAL A 37 23.268 15.088 19.328 1.00 0.00 H new ATOM 0 HB VAL A 37 25.253 16.464 20.199 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.415 14.480 21.078 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.647 14.287 21.130 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.594 13.467 19.867 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.470 15.854 19.316 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.691 14.899 18.032 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.469 16.664 18.087 1.00 0.00 H new ATOM 564 N LYS A 38 24.131 17.059 16.895 1.00 0.00 N ATOM 565 CA LYS A 38 23.849 18.328 16.234 1.00 0.00 C ATOM 566 C LYS A 38 22.349 18.514 16.030 1.00 0.00 C ATOM 567 O LYS A 38 21.851 19.639 16.017 1.00 0.00 O ATOM 568 CB LYS A 38 24.570 18.395 14.885 1.00 0.00 C ATOM 569 CG LYS A 38 23.939 17.522 13.814 1.00 0.00 C ATOM 570 CD LYS A 38 24.972 17.033 12.813 1.00 0.00 C ATOM 571 CE LYS A 38 25.302 18.104 11.784 1.00 0.00 C ATOM 572 NZ LYS A 38 24.213 18.262 10.780 1.00 0.00 N ATOM 0 H LYS A 38 24.655 16.394 16.326 1.00 0.00 H new ATOM 0 HA LYS A 38 24.213 19.131 16.874 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.581 19.429 14.539 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.609 18.094 15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.451 16.667 14.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.165 18.086 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.880 16.741 13.340 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.597 16.144 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.470 19.055 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.231 17.845 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.553 18.845 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.930 17.326 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.395 18.726 11.225 1.00 0.00 H new ATOM 586 N GLU A 39 21.635 17.404 15.872 1.00 0.00 N ATOM 587 CA GLU A 39 20.192 17.447 15.670 1.00 0.00 C ATOM 588 C GLU A 39 19.500 18.153 16.833 1.00 0.00 C ATOM 589 O GLU A 39 18.920 19.226 16.666 1.00 0.00 O ATOM 590 CB GLU A 39 19.634 16.031 15.514 1.00 0.00 C ATOM 591 CG GLU A 39 20.301 15.232 14.407 1.00 0.00 C ATOM 592 CD GLU A 39 20.170 15.896 13.050 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.327 16.807 12.913 1.00 0.00 O ATOM 594 OE2 GLU A 39 20.912 15.503 12.124 1.00 0.00 O ATOM 0 H GLU A 39 22.032 16.465 15.880 1.00 0.00 H new ATOM 0 HA GLU A 39 19.996 18.010 14.757 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.752 15.497 16.457 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.564 16.091 15.313 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.357 15.102 14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.859 14.237 14.365 1.00 0.00 H new ATOM 601 N VAL A 40 19.566 17.542 18.012 1.00 0.00 N ATOM 602 CA VAL A 40 18.948 18.111 19.203 1.00 0.00 C ATOM 603 C VAL A 40 19.378 19.559 19.408 1.00 0.00 C ATOM 604 O VAL A 40 20.527 19.918 19.148 1.00 0.00 O ATOM 605 CB VAL A 40 19.303 17.299 20.463 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.812 17.194 20.623 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.669 17.924 21.696 1.00 0.00 C ATOM 0 H VAL A 40 20.041 16.653 18.167 1.00 0.00 H new ATOM 0 HA VAL A 40 17.870 18.074 19.047 1.00 0.00 H new ATOM 0 HB VAL A 40 18.903 16.291 20.349 1.00 0.00 H new ATOM 0 HG11 VAL A 40 21.044 16.617 21.518 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.237 16.697 19.751 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.239 18.193 20.715 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.930 17.337 22.577 1.00 0.00 H new ATOM 0 HG22 VAL A 40 19.036 18.943 21.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.585 17.940 21.579 1.00 0.00 H new ATOM 617 N GLN A 41 18.449 20.387 19.876 1.00 0.00 N ATOM 618 CA GLN A 41 18.733 21.797 20.115 1.00 0.00 C ATOM 619 C GLN A 41 18.128 22.257 21.437 1.00 0.00 C ATOM 620 O GLN A 41 17.574 21.456 22.190 1.00 0.00 O ATOM 621 CB GLN A 41 18.191 22.650 18.967 1.00 0.00 C ATOM 622 CG GLN A 41 18.713 22.235 17.601 1.00 0.00 C ATOM 623 CD GLN A 41 18.691 23.371 16.598 1.00 0.00 C ATOM 624 OE1 GLN A 41 19.653 24.131 16.481 1.00 0.00 O ATOM 625 NE2 GLN A 41 17.590 23.493 15.866 1.00 0.00 N ATOM 0 H GLN A 41 17.494 20.106 20.097 1.00 0.00 H new ATOM 0 HA GLN A 41 19.815 21.920 20.169 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.103 22.591 18.964 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.453 23.693 19.145 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.733 21.865 17.703 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.111 21.409 17.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.816 22.841 15.996 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.518 24.239 15.174 1.00 0.00 H new ATOM 634 N ASP A 42 18.237 23.552 21.713 1.00 0.00 N ATOM 635 CA ASP A 42 17.699 24.120 22.944 1.00 0.00 C ATOM 636 C ASP A 42 18.402 23.534 24.164 1.00 0.00 C ATOM 637 O ASP A 42 17.836 23.487 25.256 1.00 0.00 O ATOM 638 CB ASP A 42 16.194 23.863 23.034 1.00 0.00 C ATOM 639 CG ASP A 42 15.494 24.053 21.703 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.195 25.213 21.350 1.00 0.00 O ATOM 641 OD2 ASP A 42 15.244 23.042 21.014 1.00 0.00 O ATOM 0 H ASP A 42 18.693 24.228 21.101 1.00 0.00 H new ATOM 0 HA ASP A 42 17.875 25.196 22.927 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.022 22.847 23.390 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.757 24.537 23.771 1.00 0.00 H new ATOM 646 N GLY A 43 19.639 23.086 23.971 1.00 0.00 N ATOM 647 CA GLY A 43 20.398 22.508 25.065 1.00 0.00 C ATOM 648 C GLY A 43 19.638 21.409 25.781 1.00 0.00 C ATOM 649 O GLY A 43 19.192 21.591 26.914 1.00 0.00 O ATOM 0 H GLY A 43 20.129 23.113 23.077 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.335 22.106 24.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.656 23.291 25.778 1.00 0.00 H new ATOM 653 N ILE A 44 19.488 20.267 25.118 1.00 0.00 N ATOM 654 CA ILE A 44 18.776 19.136 25.699 1.00 0.00 C ATOM 655 C ILE A 44 19.609 17.861 25.617 1.00 0.00 C ATOM 656 O ILE A 44 20.361 17.660 24.665 1.00 0.00 O ATOM 657 CB ILE A 44 17.426 18.899 24.996 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.635 20.206 24.911 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.625 17.836 25.731 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.241 20.763 26.261 1.00 0.00 C ATOM 0 H ILE A 44 19.850 20.101 24.179 1.00 0.00 H new ATOM 0 HA ILE A 44 18.594 19.382 26.745 1.00 0.00 H new ATOM 0 HB ILE A 44 17.618 18.545 23.983 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.232 20.948 24.381 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.735 20.039 24.319 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.674 17.680 25.222 1.00 0.00 H new ATOM 0 HG22 ILE A 44 17.187 16.902 25.745 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.439 18.163 26.754 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.683 21.690 26.124 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.618 20.039 26.786 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.138 20.963 26.848 1.00 0.00 H new ATOM 672 N GLU A 45 19.467 17.002 26.622 1.00 0.00 N ATOM 673 CA GLU A 45 20.207 15.746 26.663 1.00 0.00 C ATOM 674 C GLU A 45 19.256 14.554 26.609 1.00 0.00 C ATOM 675 O GLU A 45 18.829 14.038 27.643 1.00 0.00 O ATOM 676 CB GLU A 45 21.063 15.674 27.929 1.00 0.00 C ATOM 677 CG GLU A 45 21.897 14.407 28.028 1.00 0.00 C ATOM 678 CD GLU A 45 22.742 14.362 29.286 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.399 15.069 30.256 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.747 13.621 29.299 1.00 0.00 O ATOM 0 H GLU A 45 18.847 17.153 27.418 1.00 0.00 H new ATOM 0 HA GLU A 45 20.859 15.708 25.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.726 16.539 27.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.413 15.740 28.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.237 13.540 28.007 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.547 14.335 27.156 1.00 0.00 H new ATOM 687 N LEU A 46 18.929 14.120 25.397 1.00 0.00 N ATOM 688 CA LEU A 46 18.028 12.988 25.207 1.00 0.00 C ATOM 689 C LEU A 46 18.595 11.727 25.852 1.00 0.00 C ATOM 690 O LEU A 46 19.701 11.297 25.527 1.00 0.00 O ATOM 691 CB LEU A 46 17.787 12.748 23.716 1.00 0.00 C ATOM 692 CG LEU A 46 17.471 13.988 22.879 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.276 13.611 21.418 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.235 14.694 23.418 1.00 0.00 C ATOM 0 H LEU A 46 19.274 14.534 24.531 1.00 0.00 H new ATOM 0 HA LEU A 46 17.079 13.225 25.688 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.672 12.268 23.298 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.962 12.043 23.611 1.00 0.00 H new ATOM 0 HG LEU A 46 18.316 14.673 22.947 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.052 14.506 20.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.187 13.150 21.036 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.449 12.906 21.331 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.025 15.574 22.810 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.383 14.015 23.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.411 14.999 24.450 1.00 0.00 H new ATOM 706 N GLN A 47 17.828 11.139 26.764 1.00 0.00 N ATOM 707 CA GLN A 47 18.254 9.927 27.453 1.00 0.00 C ATOM 708 C GLN A 47 17.301 8.772 27.162 1.00 0.00 C ATOM 709 O GLN A 47 16.363 8.911 26.377 1.00 0.00 O ATOM 710 CB GLN A 47 18.331 10.172 28.961 1.00 0.00 C ATOM 711 CG GLN A 47 19.481 11.076 29.372 1.00 0.00 C ATOM 712 CD GLN A 47 19.388 11.518 30.819 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.901 10.850 31.718 1.00 0.00 O ATOM 714 NE2 GLN A 47 18.732 12.648 31.053 1.00 0.00 N ATOM 0 H GLN A 47 16.909 11.482 27.043 1.00 0.00 H new ATOM 0 HA GLN A 47 19.244 9.659 27.085 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.394 10.615 29.297 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.432 9.214 29.472 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.424 10.552 29.216 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.495 11.955 28.728 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.323 13.170 30.278 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.637 12.994 32.008 1.00 0.00 H new ATOM 723 N ALA A 48 17.548 7.632 27.799 1.00 0.00 N ATOM 724 CA ALA A 48 16.711 6.454 27.609 1.00 0.00 C ATOM 725 C ALA A 48 15.330 6.657 28.223 1.00 0.00 C ATOM 726 O ALA A 48 15.205 6.952 29.411 1.00 0.00 O ATOM 727 CB ALA A 48 17.382 5.228 28.209 1.00 0.00 C ATOM 0 H ALA A 48 18.321 7.499 28.451 1.00 0.00 H new ATOM 0 HA ALA A 48 16.584 6.298 26.538 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.746 4.356 28.060 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.343 5.064 27.721 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.539 5.385 29.276 1.00 0.00 H new ATOM 733 N GLY A 49 14.294 6.498 27.404 1.00 0.00 N ATOM 734 CA GLY A 49 12.936 6.669 27.885 1.00 0.00 C ATOM 735 C GLY A 49 12.425 8.083 27.689 1.00 0.00 C ATOM 736 O GLY A 49 11.423 8.477 28.287 1.00 0.00 O ATOM 0 H GLY A 49 14.372 6.254 26.417 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.279 5.973 27.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.894 6.414 28.944 1.00 0.00 H new ATOM 740 N ASP A 50 13.114 8.848 26.851 1.00 0.00 N ATOM 741 CA ASP A 50 12.725 10.227 26.578 1.00 0.00 C ATOM 742 C ASP A 50 12.019 10.336 25.230 1.00 0.00 C ATOM 743 O ASP A 50 12.600 10.030 24.189 1.00 0.00 O ATOM 744 CB ASP A 50 13.952 11.140 26.600 1.00 0.00 C ATOM 745 CG ASP A 50 14.289 11.622 27.997 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.725 12.652 28.421 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.118 10.970 28.667 1.00 0.00 O ATOM 0 H ASP A 50 13.945 8.537 26.348 1.00 0.00 H new ATOM 0 HA ASP A 50 12.032 10.544 27.358 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.807 10.605 26.187 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.773 12.000 25.955 1.00 0.00 H new ATOM 752 N GLU A 51 10.764 10.772 25.258 1.00 0.00 N ATOM 753 CA GLU A 51 9.979 10.918 24.038 1.00 0.00 C ATOM 754 C GLU A 51 10.236 12.273 23.385 1.00 0.00 C ATOM 755 O GLU A 51 9.994 13.320 23.985 1.00 0.00 O ATOM 756 CB GLU A 51 8.487 10.762 24.343 1.00 0.00 C ATOM 757 CG GLU A 51 7.684 10.203 23.181 1.00 0.00 C ATOM 758 CD GLU A 51 6.216 10.028 23.517 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.673 10.874 24.257 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.610 9.046 23.040 1.00 0.00 O ATOM 0 H GLU A 51 10.269 11.030 26.112 1.00 0.00 H new ATOM 0 HA GLU A 51 10.285 10.135 23.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.368 10.106 25.205 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.078 11.733 24.622 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.780 10.870 22.324 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.102 9.241 22.885 1.00 0.00 H new ATOM 767 N VAL A 52 10.730 12.244 22.151 1.00 0.00 N ATOM 768 CA VAL A 52 11.020 13.469 21.415 1.00 0.00 C ATOM 769 C VAL A 52 10.287 13.494 20.079 1.00 0.00 C ATOM 770 O VAL A 52 9.990 12.448 19.503 1.00 0.00 O ATOM 771 CB VAL A 52 12.531 13.626 21.162 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.282 13.759 22.478 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.061 12.452 20.353 1.00 0.00 C ATOM 0 H VAL A 52 10.938 11.386 21.640 1.00 0.00 H new ATOM 0 HA VAL A 52 10.674 14.299 22.031 1.00 0.00 H new ATOM 0 HB VAL A 52 12.692 14.537 20.586 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.348 13.869 22.279 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.921 14.636 23.016 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.116 12.868 23.083 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.130 12.580 20.184 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.889 11.525 20.901 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.545 12.408 19.394 1.00 0.00 H new ATOM 783 N GLU A 53 9.997 14.697 19.591 1.00 0.00 N ATOM 784 CA GLU A 53 9.298 14.857 18.322 1.00 0.00 C ATOM 785 C GLU A 53 10.272 15.223 17.206 1.00 0.00 C ATOM 786 O GLU A 53 10.933 16.261 17.260 1.00 0.00 O ATOM 787 CB GLU A 53 8.217 15.933 18.443 1.00 0.00 C ATOM 788 CG GLU A 53 7.173 15.874 17.340 1.00 0.00 C ATOM 789 CD GLU A 53 5.941 16.698 17.658 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.049 17.635 18.477 1.00 0.00 O ATOM 791 OE2 GLU A 53 4.868 16.407 17.089 1.00 0.00 O ATOM 0 H GLU A 53 10.235 15.573 20.055 1.00 0.00 H new ATOM 0 HA GLU A 53 8.828 13.905 18.073 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.720 15.830 19.408 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.691 16.915 18.431 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.613 16.230 16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.880 14.837 17.178 1.00 0.00 H new ATOM 798 N PHE A 54 10.356 14.364 16.197 1.00 0.00 N ATOM 799 CA PHE A 54 11.251 14.594 15.068 1.00 0.00 C ATOM 800 C PHE A 54 10.529 14.356 13.745 1.00 0.00 C ATOM 801 O PHE A 54 9.471 13.729 13.706 1.00 0.00 O ATOM 802 CB PHE A 54 12.475 13.682 15.166 1.00 0.00 C ATOM 803 CG PHE A 54 12.129 12.226 15.292 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.684 11.508 14.194 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.249 11.575 16.510 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.366 10.168 14.307 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.932 10.235 16.629 1.00 0.00 C ATOM 808 CZ PHE A 54 11.489 9.531 15.526 1.00 0.00 C ATOM 0 H PHE A 54 9.815 13.501 16.137 1.00 0.00 H new ATOM 0 HA PHE A 54 11.578 15.633 15.101 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.096 13.824 14.282 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.073 13.981 16.027 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.584 12.001 13.238 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.594 12.121 17.376 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.022 9.619 13.443 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.031 9.739 17.583 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.239 8.484 15.617 1.00 0.00 H new ATOM 818 N SER A 55 11.110 14.863 12.662 1.00 0.00 N ATOM 819 CA SER A 55 10.522 14.710 11.336 1.00 0.00 C ATOM 820 C SER A 55 11.371 13.787 10.468 1.00 0.00 C ATOM 821 O SER A 55 12.594 13.920 10.411 1.00 0.00 O ATOM 822 CB SER A 55 10.376 16.074 10.659 1.00 0.00 C ATOM 823 OG SER A 55 9.426 16.023 9.609 1.00 0.00 O ATOM 0 H SER A 55 11.987 15.383 12.677 1.00 0.00 H new ATOM 0 HA SER A 55 9.535 14.263 11.453 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.070 16.818 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.341 16.393 10.265 1.00 0.00 H new ATOM 0 HG SER A 55 9.350 16.907 9.194 1.00 0.00 H new ATOM 829 N VAL A 56 10.714 12.850 9.792 1.00 0.00 N ATOM 830 CA VAL A 56 11.407 11.904 8.925 1.00 0.00 C ATOM 831 C VAL A 56 11.914 12.588 7.660 1.00 0.00 C ATOM 832 O VAL A 56 11.130 13.119 6.873 1.00 0.00 O ATOM 833 CB VAL A 56 10.491 10.731 8.529 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.264 9.699 7.722 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.872 10.098 9.766 1.00 0.00 C ATOM 0 H VAL A 56 9.702 12.726 9.828 1.00 0.00 H new ATOM 0 HA VAL A 56 12.255 11.518 9.491 1.00 0.00 H new ATOM 0 HB VAL A 56 9.685 11.116 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.601 8.878 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.655 10.163 6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.091 9.315 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.228 9.271 9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.662 9.726 10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.282 10.843 10.300 1.00 0.00 H new ATOM 845 N ILE A 57 13.229 12.571 7.472 1.00 0.00 N ATOM 846 CA ILE A 57 13.841 13.188 6.302 1.00 0.00 C ATOM 847 C ILE A 57 14.697 12.186 5.536 1.00 0.00 C ATOM 848 O ILE A 57 15.547 11.508 6.115 1.00 0.00 O ATOM 849 CB ILE A 57 14.712 14.397 6.693 1.00 0.00 C ATOM 850 CG1 ILE A 57 13.921 15.355 7.586 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.212 15.115 5.449 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.711 15.956 6.905 1.00 0.00 C ATOM 0 H ILE A 57 13.891 12.137 8.115 1.00 0.00 H new ATOM 0 HA ILE A 57 13.026 13.529 5.663 1.00 0.00 H new ATOM 0 HB ILE A 57 15.576 14.038 7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.597 14.822 8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.579 16.159 7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.826 15.967 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.808 14.429 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.361 15.465 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.199 16.624 7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.029 16.517 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.032 15.160 6.600 1.00 0.00 H new ATOM 864 N LEU A 58 14.468 12.097 4.230 1.00 0.00 N ATOM 865 CA LEU A 58 15.220 11.178 3.383 1.00 0.00 C ATOM 866 C LEU A 58 16.315 11.914 2.618 1.00 0.00 C ATOM 867 O LEU A 58 16.076 12.972 2.037 1.00 0.00 O ATOM 868 CB LEU A 58 14.281 10.475 2.400 1.00 0.00 C ATOM 869 CG LEU A 58 14.954 9.648 1.304 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.807 8.547 1.913 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.911 9.060 0.364 1.00 0.00 C ATOM 0 H LEU A 58 13.768 12.650 3.735 1.00 0.00 H new ATOM 0 HA LEU A 58 15.689 10.433 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.619 9.820 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.654 11.229 1.925 1.00 0.00 H new ATOM 0 HG LEU A 58 15.605 10.305 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.278 7.969 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.577 8.990 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.178 7.891 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.407 8.475 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.235 8.417 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.343 9.867 -0.100 1.00 0.00 H new ATOM 883 N ASN A 59 17.517 11.347 2.623 1.00 0.00 N ATOM 884 CA ASN A 59 18.649 11.949 1.928 1.00 0.00 C ATOM 885 C ASN A 59 18.905 11.250 0.597 1.00 0.00 C ATOM 886 O ASN A 59 19.124 10.040 0.553 1.00 0.00 O ATOM 887 CB ASN A 59 19.904 11.882 2.801 1.00 0.00 C ATOM 888 CG ASN A 59 20.045 13.093 3.704 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.100 13.485 4.387 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.231 13.691 3.709 1.00 0.00 N ATOM 0 H ASN A 59 17.732 10.472 3.100 1.00 0.00 H new ATOM 0 HA ASN A 59 18.407 12.993 1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.871 10.979 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.784 11.804 2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.386 14.511 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.986 13.331 3.126 1.00 0.00 H new ATOM 897 N GLN A 60 18.876 12.021 -0.486 1.00 0.00 N ATOM 898 CA GLN A 60 19.105 11.475 -1.818 1.00 0.00 C ATOM 899 C GLN A 60 20.596 11.315 -2.092 1.00 0.00 C ATOM 900 O GLN A 60 21.012 10.399 -2.802 1.00 0.00 O ATOM 901 CB GLN A 60 18.473 12.379 -2.878 1.00 0.00 C ATOM 902 CG GLN A 60 16.971 12.195 -3.019 1.00 0.00 C ATOM 903 CD GLN A 60 16.280 13.430 -3.562 1.00 0.00 C ATOM 904 OE1 GLN A 60 16.154 13.602 -4.775 1.00 0.00 O ATOM 905 NE2 GLN A 60 15.828 14.299 -2.665 1.00 0.00 N ATOM 0 H GLN A 60 18.696 13.025 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 60 18.639 10.491 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.681 13.419 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.946 12.182 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.773 11.352 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.547 11.944 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.954 14.116 -1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.355 15.149 -2.972 1.00 0.00 H new ATOM 914 N ARG A 61 21.397 12.212 -1.526 1.00 0.00 N ATOM 915 CA ARG A 61 22.842 12.171 -1.711 1.00 0.00 C ATOM 916 C ARG A 61 23.422 10.864 -1.178 1.00 0.00 C ATOM 917 O ARG A 61 24.206 10.198 -1.855 1.00 0.00 O ATOM 918 CB ARG A 61 23.502 13.358 -1.006 1.00 0.00 C ATOM 919 CG ARG A 61 24.984 13.501 -1.312 1.00 0.00 C ATOM 920 CD ARG A 61 25.214 14.287 -2.594 1.00 0.00 C ATOM 921 NE ARG A 61 26.619 14.281 -2.994 1.00 0.00 N ATOM 922 CZ ARG A 61 27.087 14.950 -4.042 1.00 0.00 C ATOM 923 NH1 ARG A 61 26.267 15.674 -4.791 1.00 0.00 N ATOM 924 NH2 ARG A 61 28.378 14.895 -4.342 1.00 0.00 N ATOM 0 H ARG A 61 21.069 12.976 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 61 23.047 12.231 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.989 14.274 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.371 13.249 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.481 14.003 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 61 25.435 12.513 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.607 13.862 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.881 15.315 -2.454 1.00 0.00 H new ATOM 0 HE ARG A 61 27.276 13.733 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 61 25.274 15.719 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 26.629 16.187 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 61 29.012 14.339 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 61 28.737 15.409 -5.147 1.00 0.00 H new ATOM 938 N THR A 62 23.030 10.501 0.039 1.00 0.00 N ATOM 939 CA THR A 62 23.511 9.275 0.664 1.00 0.00 C ATOM 940 C THR A 62 22.516 8.136 0.476 1.00 0.00 C ATOM 941 O THR A 62 22.847 7.096 -0.092 1.00 0.00 O ATOM 942 CB THR A 62 23.768 9.475 2.169 1.00 0.00 C ATOM 943 OG1 THR A 62 22.575 9.934 2.813 1.00 0.00 O ATOM 944 CG2 THR A 62 24.891 10.475 2.399 1.00 0.00 C ATOM 0 H THR A 62 22.380 11.039 0.612 1.00 0.00 H new ATOM 0 HA THR A 62 24.450 9.018 0.174 1.00 0.00 H new ATOM 0 HB THR A 62 24.064 8.516 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.746 10.057 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 62 25.054 10.599 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.806 10.108 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.619 11.435 1.959 1.00 0.00 H new ATOM 952 N GLY A 63 21.293 8.339 0.958 1.00 0.00 N ATOM 953 CA GLY A 63 20.268 7.319 0.833 1.00 0.00 C ATOM 954 C GLY A 63 19.887 6.713 2.169 1.00 0.00 C ATOM 955 O GLY A 63 19.404 5.582 2.231 1.00 0.00 O ATOM 0 H GLY A 63 20.994 9.191 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.383 7.753 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.623 6.531 0.168 1.00 0.00 H new ATOM 959 N LYS A 64 20.107 7.465 3.242 1.00 0.00 N ATOM 960 CA LYS A 64 19.784 6.995 4.584 1.00 0.00 C ATOM 961 C LYS A 64 18.783 7.927 5.261 1.00 0.00 C ATOM 962 O LYS A 64 18.523 9.030 4.778 1.00 0.00 O ATOM 963 CB LYS A 64 21.055 6.894 5.431 1.00 0.00 C ATOM 964 CG LYS A 64 22.133 6.024 4.807 1.00 0.00 C ATOM 965 CD LYS A 64 23.155 5.577 5.839 1.00 0.00 C ATOM 966 CE LYS A 64 22.748 4.265 6.494 1.00 0.00 C ATOM 967 NZ LYS A 64 21.747 4.472 7.577 1.00 0.00 N ATOM 0 H LYS A 64 20.508 8.402 3.208 1.00 0.00 H new ATOM 0 HA LYS A 64 19.333 6.007 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 64 21.455 7.895 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.798 6.493 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.674 5.150 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.634 6.578 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 64 24.128 5.460 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 64 23.264 6.348 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.334 3.596 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.631 3.775 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.816 3.696 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.934 5.377 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.791 4.488 7.168 1.00 0.00 H new ATOM 981 N CYS A 65 18.227 7.478 6.380 1.00 0.00 N ATOM 982 CA CYS A 65 17.255 8.272 7.123 1.00 0.00 C ATOM 983 C CYS A 65 17.854 8.780 8.431 1.00 0.00 C ATOM 984 O CYS A 65 18.800 8.196 8.960 1.00 0.00 O ATOM 985 CB CYS A 65 16.001 7.445 7.410 1.00 0.00 C ATOM 986 SG CYS A 65 15.321 6.609 5.958 1.00 0.00 S ATOM 0 H CYS A 65 18.432 6.568 6.793 1.00 0.00 H new ATOM 0 HA CYS A 65 16.982 9.132 6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 65 16.237 6.699 8.169 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.237 8.098 7.831 1.00 0.00 H new ATOM 0 HG CYS A 65 14.264 5.934 6.301 1.00 0.00 H new ATOM 992 N SER A 66 17.298 9.872 8.946 1.00 0.00 N ATOM 993 CA SER A 66 17.780 10.462 10.189 1.00 0.00 C ATOM 994 C SER A 66 16.741 11.410 10.779 1.00 0.00 C ATOM 995 O SER A 66 15.713 11.685 10.161 1.00 0.00 O ATOM 996 CB SER A 66 19.092 11.212 9.947 1.00 0.00 C ATOM 997 OG SER A 66 19.685 11.611 11.170 1.00 0.00 O ATOM 0 H SER A 66 16.513 10.366 8.521 1.00 0.00 H new ATOM 0 HA SER A 66 17.956 9.656 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.783 10.574 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.904 12.089 9.327 1.00 0.00 H new ATOM 0 HG SER A 66 19.871 10.819 11.717 1.00 0.00 H new ATOM 1003 N ALA A 67 17.017 11.907 11.981 1.00 0.00 N ATOM 1004 CA ALA A 67 16.109 12.826 12.655 1.00 0.00 C ATOM 1005 C ALA A 67 16.578 14.269 12.507 1.00 0.00 C ATOM 1006 O ALA A 67 17.775 14.534 12.390 1.00 0.00 O ATOM 1007 CB ALA A 67 15.982 12.458 14.126 1.00 0.00 C ATOM 0 H ALA A 67 17.863 11.688 12.508 1.00 0.00 H new ATOM 0 HA ALA A 67 15.130 12.740 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.301 13.153 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.593 11.444 14.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.962 12.514 14.601 1.00 0.00 H new ATOM 1013 N CYS A 68 15.628 15.198 12.514 1.00 0.00 N ATOM 1014 CA CYS A 68 15.945 16.616 12.379 1.00 0.00 C ATOM 1015 C CYS A 68 15.111 17.453 13.343 1.00 0.00 C ATOM 1016 O CYS A 68 13.944 17.153 13.591 1.00 0.00 O ATOM 1017 CB CYS A 68 15.703 17.079 10.942 1.00 0.00 C ATOM 1018 SG CYS A 68 17.069 16.723 9.812 1.00 0.00 S ATOM 0 H CYS A 68 14.633 14.995 12.612 1.00 0.00 H new ATOM 0 HA CYS A 68 16.998 16.753 12.625 1.00 0.00 H new ATOM 0 HB2 CYS A 68 14.799 16.600 10.565 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.518 18.153 10.944 1.00 0.00 H new ATOM 0 HG CYS A 68 16.770 17.150 8.621 1.00 0.00 H new ATOM 1024 N ASN A 69 15.719 18.503 13.885 1.00 0.00 N ATOM 1025 CA ASN A 69 15.033 19.383 14.824 1.00 0.00 C ATOM 1026 C ASN A 69 14.405 18.582 15.960 1.00 0.00 C ATOM 1027 O ASN A 69 13.239 18.779 16.303 1.00 0.00 O ATOM 1028 CB ASN A 69 13.957 20.195 14.102 1.00 0.00 C ATOM 1029 CG ASN A 69 14.546 21.223 13.155 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.626 21.762 13.400 1.00 0.00 O ATOM 1031 ND2 ASN A 69 13.838 21.500 12.067 1.00 0.00 N ATOM 0 H ASN A 69 16.685 18.765 13.690 1.00 0.00 H new ATOM 0 HA ASN A 69 15.770 20.065 15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.310 19.519 13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.331 20.700 14.838 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.184 22.184 11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.948 21.029 11.904 1.00 0.00 H new ATOM 1038 N VAL A 70 15.185 17.676 16.541 1.00 0.00 N ATOM 1039 CA VAL A 70 14.707 16.846 17.640 1.00 0.00 C ATOM 1040 C VAL A 70 14.368 17.693 18.862 1.00 0.00 C ATOM 1041 O VAL A 70 15.257 18.226 19.525 1.00 0.00 O ATOM 1042 CB VAL A 70 15.750 15.785 18.037 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.163 14.812 19.050 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.253 15.046 16.806 1.00 0.00 C ATOM 0 H VAL A 70 16.152 17.498 16.268 1.00 0.00 H new ATOM 0 HA VAL A 70 13.805 16.344 17.288 1.00 0.00 H new ATOM 0 HB VAL A 70 16.597 16.289 18.502 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.914 14.069 19.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.856 15.357 19.943 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.298 14.312 18.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.989 14.300 17.105 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.417 14.552 16.311 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.714 15.755 16.119 1.00 0.00 H new ATOM 1054 N TRP A 71 13.078 17.811 19.154 1.00 0.00 N ATOM 1055 CA TRP A 71 12.622 18.593 20.297 1.00 0.00 C ATOM 1056 C TRP A 71 11.973 17.696 21.346 1.00 0.00 C ATOM 1057 O TRP A 71 11.000 16.998 21.062 1.00 0.00 O ATOM 1058 CB TRP A 71 11.632 19.668 19.844 1.00 0.00 C ATOM 1059 CG TRP A 71 12.297 20.898 19.304 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.427 20.950 18.539 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.874 22.253 19.491 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.732 22.256 18.239 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.794 23.074 18.810 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.807 22.852 20.165 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.677 24.461 18.787 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.692 24.229 20.141 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.623 25.021 19.455 1.00 0.00 C ATOM 0 H TRP A 71 12.329 17.375 18.615 1.00 0.00 H new ATOM 0 HA TRP A 71 13.491 19.075 20.745 1.00 0.00 H new ATOM 0 HB2 TRP A 71 10.979 19.251 19.078 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.998 19.946 20.686 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.997 20.091 18.217 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.528 22.566 17.681 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.085 22.250 20.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.394 25.074 18.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.871 24.703 20.659 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.506 26.095 19.454 1.00 0.00 H new ATOM 1078 N ARG A 72 12.517 17.721 22.558 1.00 0.00 N ATOM 1079 CA ARG A 72 11.990 16.909 23.649 1.00 0.00 C ATOM 1080 C ARG A 72 10.571 17.338 24.009 1.00 0.00 C ATOM 1081 O ARG A 72 10.361 18.403 24.588 1.00 0.00 O ATOM 1082 CB ARG A 72 12.895 17.019 24.877 1.00 0.00 C ATOM 1083 CG ARG A 72 12.803 15.823 25.810 1.00 0.00 C ATOM 1084 CD ARG A 72 13.096 16.215 27.250 1.00 0.00 C ATOM 1085 NE ARG A 72 11.966 16.901 27.871 1.00 0.00 N ATOM 1086 CZ ARG A 72 11.944 17.275 29.146 1.00 0.00 C ATOM 1087 NH1 ARG A 72 12.985 17.030 29.930 1.00 0.00 N ATOM 1088 NH2 ARG A 72 10.880 17.895 29.638 1.00 0.00 N ATOM 0 H ARG A 72 13.322 18.294 22.810 1.00 0.00 H new ATOM 0 HA ARG A 72 11.964 15.871 23.317 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.928 17.134 24.548 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.635 17.921 25.430 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.806 15.387 25.746 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.508 15.056 25.490 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.339 15.322 27.826 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.973 16.862 27.278 1.00 0.00 H new ATOM 0 HE ARG A 72 11.149 17.104 27.295 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.805 16.553 29.555 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.966 17.318 30.908 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.078 18.085 29.038 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.864 18.182 30.617 1.00 0.00 H new ATOM 1102 N VAL A 73 9.599 16.500 23.661 1.00 0.00 N ATOM 1103 CA VAL A 73 8.199 16.791 23.948 1.00 0.00 C ATOM 1104 C VAL A 73 7.795 16.252 25.316 1.00 0.00 C ATOM 1105 O VAL A 73 6.865 16.758 25.943 1.00 0.00 O ATOM 1106 CB VAL A 73 7.270 16.191 22.877 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.369 14.673 22.874 1.00 0.00 C ATOM 1108 CG2 VAL A 73 5.834 16.640 23.105 1.00 0.00 C ATOM 0 H VAL A 73 9.755 15.614 23.180 1.00 0.00 H new ATOM 0 HA VAL A 73 8.094 17.876 23.943 1.00 0.00 H new ATOM 0 HB VAL A 73 7.589 16.554 21.900 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.705 14.267 22.111 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.395 14.376 22.658 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.077 14.287 23.851 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.191 16.207 22.339 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.501 16.308 24.088 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.780 17.727 23.051 1.00 0.00 H new ATOM 1118 N SER A 74 8.501 15.223 25.772 1.00 0.00 N ATOM 1119 CA SER A 74 8.214 14.612 27.065 1.00 0.00 C ATOM 1120 C SER A 74 9.501 14.175 27.757 1.00 0.00 C ATOM 1121 O SER A 74 10.534 13.993 27.115 1.00 0.00 O ATOM 1122 CB SER A 74 7.283 13.411 26.890 1.00 0.00 C ATOM 1123 OG SER A 74 6.523 13.179 28.063 1.00 0.00 O ATOM 0 H SER A 74 9.276 14.795 25.266 1.00 0.00 H new ATOM 0 HA SER A 74 7.721 15.357 27.689 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.613 13.586 26.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.870 12.524 26.652 1.00 0.00 H new ATOM 0 HG SER A 74 5.935 12.407 27.924 1.00 0.00 H new