USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 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 Single : A 12 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 15 CYS SG : rot 180:sc=-0.00527 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.784 K(o=0.78,f=-6.2!) USER MOD Single : A 24 ASN : amide:sc=-0.00628 K(o=-0.0063,f=-0.86) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.425 USER MOD Single : A 30 SER OG : rot -110:sc= 0.426 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0269) USER MOD Single : A 36 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.559 K(o=-0.56,f=-3.1!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 9:sc= 0.254! USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.589 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 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.265 14.700 11.383 1.00 0.00 N ATOM 67 CA LEU A 8 6.071 14.518 12.585 1.00 0.00 C ATOM 68 C LEU A 8 5.729 13.202 13.276 1.00 0.00 C ATOM 69 O LEU A 8 4.613 12.696 13.152 1.00 0.00 O ATOM 70 CB LEU A 8 5.855 15.685 13.550 1.00 0.00 C ATOM 71 CG LEU A 8 6.194 17.074 13.010 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.387 18.140 13.735 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.685 17.349 13.141 1.00 0.00 C ATOM 0 HA LEU A 8 7.119 14.490 12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.811 15.684 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.455 15.508 14.443 1.00 0.00 H new ATOM 0 HG LEU A 8 5.932 17.105 11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.642 19.122 13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.323 17.954 13.588 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.617 18.109 14.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.907 18.342 12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.974 17.298 14.191 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.244 16.604 12.575 1.00 0.00 H new ATOM 85 N ARG A 9 6.695 12.653 14.005 1.00 0.00 N ATOM 86 CA ARG A 9 6.496 11.396 14.716 1.00 0.00 C ATOM 87 C ARG A 9 7.170 11.433 16.085 1.00 0.00 C ATOM 88 O ARG A 9 8.260 11.985 16.236 1.00 0.00 O ATOM 89 CB ARG A 9 7.047 10.228 13.896 1.00 0.00 C ATOM 90 CG ARG A 9 6.456 10.134 12.499 1.00 0.00 C ATOM 91 CD ARG A 9 5.051 9.553 12.526 1.00 0.00 C ATOM 92 NE ARG A 9 4.621 9.100 11.206 1.00 0.00 N ATOM 93 CZ ARG A 9 3.488 8.441 10.988 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.676 8.160 11.998 1.00 0.00 N ATOM 95 NH2 ARG A 9 3.165 8.063 9.758 1.00 0.00 N ATOM 0 H ARG A 9 7.624 13.059 14.119 1.00 0.00 H new ATOM 0 HA ARG A 9 5.425 11.256 14.861 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.130 10.329 13.818 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.851 9.297 14.428 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.432 11.125 12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.096 9.512 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.018 8.717 13.225 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.355 10.306 12.896 1.00 0.00 H new ATOM 0 HE ARG A 9 5.223 9.300 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.921 8.450 12.945 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.807 7.654 11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.787 8.278 8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.295 7.557 9.592 1.00 0.00 H new ATOM 109 N ARG A 10 6.514 10.843 17.078 1.00 0.00 N ATOM 110 CA ARG A 10 7.049 10.810 18.434 1.00 0.00 C ATOM 111 C ARG A 10 7.403 9.383 18.844 1.00 0.00 C ATOM 112 O ARG A 10 6.581 8.474 18.736 1.00 0.00 O ATOM 113 CB ARG A 10 6.037 11.398 19.419 1.00 0.00 C ATOM 114 CG ARG A 10 5.851 12.900 19.276 1.00 0.00 C ATOM 115 CD ARG A 10 4.472 13.338 19.743 1.00 0.00 C ATOM 116 NE ARG A 10 3.410 12.787 18.906 1.00 0.00 N ATOM 117 CZ ARG A 10 3.072 13.289 17.723 1.00 0.00 C ATOM 118 NH1 ARG A 10 3.710 14.346 17.241 1.00 0.00 N ATOM 119 NH2 ARG A 10 2.095 12.732 17.019 1.00 0.00 N ATOM 0 H ARG A 10 5.611 10.381 16.969 1.00 0.00 H new ATOM 0 HA ARG A 10 7.957 11.412 18.454 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.075 10.906 19.276 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.361 11.176 20.436 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.614 13.419 19.856 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.992 13.187 18.234 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.321 13.021 20.775 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.414 14.426 19.732 1.00 0.00 H new ATOM 0 HE ARG A 10 2.900 11.973 19.248 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.463 14.776 17.778 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.448 14.729 16.333 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.602 11.918 17.386 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.836 13.118 16.111 1.00 0.00 H new ATOM 133 N ALA A 11 8.632 9.196 19.315 1.00 0.00 N ATOM 134 CA ALA A 11 9.094 7.882 19.742 1.00 0.00 C ATOM 135 C ALA A 11 10.076 7.996 20.903 1.00 0.00 C ATOM 136 O ALA A 11 10.642 9.062 21.149 1.00 0.00 O ATOM 137 CB ALA A 11 9.735 7.143 18.577 1.00 0.00 C ATOM 0 H ALA A 11 9.325 9.938 19.410 1.00 0.00 H new ATOM 0 HA ALA A 11 8.229 7.315 20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.075 6.163 18.911 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.004 7.020 17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.585 7.716 18.207 1.00 0.00 H new ATOM 143 N THR A 12 10.276 6.891 21.615 1.00 0.00 N ATOM 144 CA THR A 12 11.189 6.868 22.751 1.00 0.00 C ATOM 145 C THR A 12 12.603 6.504 22.313 1.00 0.00 C ATOM 146 O THR A 12 12.794 5.777 21.338 1.00 0.00 O ATOM 147 CB THR A 12 10.723 5.867 23.825 1.00 0.00 C ATOM 148 OG1 THR A 12 10.279 4.655 23.206 1.00 0.00 O ATOM 149 CG2 THR A 12 9.597 6.457 24.662 1.00 0.00 C ATOM 0 H THR A 12 9.818 6.000 21.425 1.00 0.00 H new ATOM 0 HA THR A 12 11.191 7.872 23.176 1.00 0.00 H new ATOM 0 HB THR A 12 11.567 5.651 24.480 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.986 4.024 23.896 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.284 5.732 25.414 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.947 7.364 25.156 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.752 6.698 24.017 1.00 0.00 H new ATOM 157 N VAL A 13 13.592 7.014 23.039 1.00 0.00 N ATOM 158 CA VAL A 13 14.990 6.741 22.726 1.00 0.00 C ATOM 159 C VAL A 13 15.522 5.580 23.559 1.00 0.00 C ATOM 160 O VAL A 13 15.351 5.547 24.777 1.00 0.00 O ATOM 161 CB VAL A 13 15.872 7.980 22.969 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.321 7.682 22.616 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.353 9.167 22.172 1.00 0.00 C ATOM 0 H VAL A 13 13.451 7.619 23.848 1.00 0.00 H new ATOM 0 HA VAL A 13 15.033 6.476 21.669 1.00 0.00 H new ATOM 0 HB VAL A 13 15.827 8.235 24.028 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.929 8.569 22.794 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.685 6.862 23.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.389 7.401 21.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.988 10.034 22.355 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.367 8.926 21.109 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.332 9.393 22.480 1.00 0.00 H new ATOM 173 N GLU A 14 16.170 4.629 22.892 1.00 0.00 N ATOM 174 CA GLU A 14 16.728 3.466 23.572 1.00 0.00 C ATOM 175 C GLU A 14 17.687 3.891 24.680 1.00 0.00 C ATOM 176 O GLU A 14 17.476 3.578 25.852 1.00 0.00 O ATOM 177 CB GLU A 14 17.454 2.563 22.572 1.00 0.00 C ATOM 178 CG GLU A 14 17.490 1.102 22.986 1.00 0.00 C ATOM 179 CD GLU A 14 18.486 0.292 22.180 1.00 0.00 C ATOM 180 OE1 GLU A 14 19.097 0.857 21.249 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.655 -0.909 22.480 1.00 0.00 O ATOM 0 H GLU A 14 16.321 4.641 21.883 1.00 0.00 H new ATOM 0 HA GLU A 14 15.905 2.911 24.022 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.966 2.645 21.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.476 2.922 22.447 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.744 1.034 24.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.496 0.670 22.868 1.00 0.00 H new ATOM 188 N CYS A 15 18.741 4.605 24.300 1.00 0.00 N ATOM 189 CA CYS A 15 19.734 5.073 25.261 1.00 0.00 C ATOM 190 C CYS A 15 20.664 6.100 24.624 1.00 0.00 C ATOM 191 O CYS A 15 20.772 6.182 23.401 1.00 0.00 O ATOM 192 CB CYS A 15 20.547 3.895 25.799 1.00 0.00 C ATOM 193 SG CYS A 15 21.228 4.162 27.452 1.00 0.00 S ATOM 0 H CYS A 15 18.930 4.872 23.334 1.00 0.00 H new ATOM 0 HA CYS A 15 19.208 5.550 26.088 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.913 3.008 25.818 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.365 3.687 25.110 1.00 0.00 H new ATOM 0 HG CYS A 15 21.897 3.110 27.821 1.00 0.00 H new ATOM 199 N VAL A 16 21.334 6.884 25.463 1.00 0.00 N ATOM 200 CA VAL A 16 22.255 7.908 24.983 1.00 0.00 C ATOM 201 C VAL A 16 23.585 7.842 25.725 1.00 0.00 C ATOM 202 O VAL A 16 23.846 8.639 26.627 1.00 0.00 O ATOM 203 CB VAL A 16 21.659 9.319 25.144 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.603 10.366 24.573 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.294 9.400 24.477 1.00 0.00 C ATOM 0 H VAL A 16 21.256 6.830 26.479 1.00 0.00 H new ATOM 0 HA VAL A 16 22.423 7.712 23.924 1.00 0.00 H new ATOM 0 HB VAL A 16 21.531 9.521 26.207 1.00 0.00 H new ATOM 0 HG11 VAL A 16 22.165 11.357 24.696 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.556 10.323 25.100 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.766 10.170 23.513 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.888 10.404 24.601 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.394 9.177 23.415 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.621 8.677 24.937 1.00 0.00 H new ATOM 215 N LYS A 17 24.424 6.887 25.340 1.00 0.00 N ATOM 216 CA LYS A 17 25.730 6.716 25.966 1.00 0.00 C ATOM 217 C LYS A 17 26.804 7.487 25.205 1.00 0.00 C ATOM 218 O LYS A 17 27.434 8.394 25.749 1.00 0.00 O ATOM 219 CB LYS A 17 26.099 5.232 26.028 1.00 0.00 C ATOM 220 CG LYS A 17 27.421 4.963 26.725 1.00 0.00 C ATOM 221 CD LYS A 17 27.271 4.994 28.237 1.00 0.00 C ATOM 222 CE LYS A 17 28.361 4.184 28.922 1.00 0.00 C ATOM 223 NZ LYS A 17 28.071 2.724 28.888 1.00 0.00 N ATOM 0 H LYS A 17 24.223 6.218 24.596 1.00 0.00 H new ATOM 0 HA LYS A 17 25.673 7.112 26.980 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.308 4.691 26.547 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.145 4.835 25.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.805 3.991 26.416 1.00 0.00 H new ATOM 0 HG3 LYS A 17 28.154 5.708 26.416 1.00 0.00 H new ATOM 0 HD2 LYS A 17 27.309 6.026 28.586 1.00 0.00 H new ATOM 0 HD3 LYS A 17 26.294 4.599 28.515 1.00 0.00 H new ATOM 0 HE2 LYS A 17 29.317 4.376 28.434 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.460 4.511 29.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.837 2.207 29.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.171 2.537 29.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 28.002 2.407 27.900 1.00 0.00 H new ATOM 237 N ASP A 18 27.006 7.121 23.944 1.00 0.00 N ATOM 238 CA ASP A 18 28.002 7.780 23.107 1.00 0.00 C ATOM 239 C ASP A 18 27.416 9.021 22.440 1.00 0.00 C ATOM 240 O ASP A 18 26.214 9.271 22.522 1.00 0.00 O ATOM 241 CB ASP A 18 28.526 6.814 22.044 1.00 0.00 C ATOM 242 CG ASP A 18 29.708 6.000 22.534 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.647 6.599 23.100 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.694 4.765 22.352 1.00 0.00 O ATOM 0 H ASP A 18 26.493 6.372 23.479 1.00 0.00 H new ATOM 0 HA ASP A 18 28.830 8.089 23.745 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.724 6.140 21.743 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.819 7.377 21.158 1.00 0.00 H new ATOM 249 N GLN A 19 28.274 9.793 21.781 1.00 0.00 N ATOM 250 CA GLN A 19 27.840 11.008 21.101 1.00 0.00 C ATOM 251 C GLN A 19 26.667 10.722 20.170 1.00 0.00 C ATOM 252 O GLN A 19 25.821 11.586 19.938 1.00 0.00 O ATOM 253 CB GLN A 19 28.999 11.615 20.308 1.00 0.00 C ATOM 254 CG GLN A 19 29.954 12.437 21.159 1.00 0.00 C ATOM 255 CD GLN A 19 31.033 11.592 21.807 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.978 10.362 21.775 1.00 0.00 O ATOM 257 NE2 GLN A 19 32.023 12.248 22.400 1.00 0.00 N ATOM 0 H GLN A 19 29.272 9.599 21.703 1.00 0.00 H new ATOM 0 HA GLN A 19 27.513 11.721 21.858 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.556 10.813 19.823 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.595 12.247 19.517 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.421 13.202 20.539 1.00 0.00 H new ATOM 0 HG3 GLN A 19 29.390 12.956 21.934 1.00 0.00 H new ATOM 0 HE21 GLN A 19 32.029 13.268 22.403 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.778 11.732 22.853 1.00 0.00 H new ATOM 266 N PHE A 20 26.621 9.504 19.640 1.00 0.00 N ATOM 267 CA PHE A 20 25.551 9.105 18.733 1.00 0.00 C ATOM 268 C PHE A 20 24.642 8.068 19.387 1.00 0.00 C ATOM 269 O PHE A 20 25.113 7.076 19.942 1.00 0.00 O ATOM 270 CB PHE A 20 26.137 8.541 17.437 1.00 0.00 C ATOM 271 CG PHE A 20 27.027 7.350 17.650 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.381 7.515 17.892 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.509 6.065 17.609 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.202 6.420 18.087 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.325 4.967 17.804 1.00 0.00 C ATOM 276 CZ PHE A 20 28.674 5.145 18.044 1.00 0.00 C ATOM 0 H PHE A 20 27.312 8.776 19.823 1.00 0.00 H new ATOM 0 HA PHE A 20 24.956 9.989 18.501 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.321 8.260 16.771 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.705 9.323 16.934 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.800 8.510 17.929 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.455 5.920 17.422 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.256 6.562 18.273 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.909 3.971 17.769 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.314 4.289 18.198 1.00 0.00 H new ATOM 286 N GLY A 21 23.336 8.307 19.318 1.00 0.00 N ATOM 287 CA GLY A 21 22.382 7.387 19.908 1.00 0.00 C ATOM 288 C GLY A 21 21.412 6.825 18.887 1.00 0.00 C ATOM 289 O GLY A 21 21.568 7.043 17.685 1.00 0.00 O ATOM 0 H GLY A 21 22.922 9.121 18.864 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.919 6.567 20.384 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.824 7.900 20.691 1.00 0.00 H new ATOM 293 N PHE A 22 20.407 6.098 19.365 1.00 0.00 N ATOM 294 CA PHE A 22 19.409 5.501 18.486 1.00 0.00 C ATOM 295 C PHE A 22 18.009 5.648 19.073 1.00 0.00 C ATOM 296 O PHE A 22 17.824 5.581 20.289 1.00 0.00 O ATOM 297 CB PHE A 22 19.724 4.022 18.253 1.00 0.00 C ATOM 298 CG PHE A 22 20.802 3.792 17.232 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.135 3.988 17.557 1.00 0.00 C ATOM 300 CD2 PHE A 22 20.484 3.379 15.949 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.129 3.778 16.620 1.00 0.00 C ATOM 302 CE2 PHE A 22 21.473 3.167 15.007 1.00 0.00 C ATOM 303 CZ PHE A 22 22.798 3.366 15.344 1.00 0.00 C ATOM 0 H PHE A 22 20.263 5.908 20.357 1.00 0.00 H new ATOM 0 HA PHE A 22 19.440 6.027 17.532 1.00 0.00 H new ATOM 0 HB2 PHE A 22 20.027 3.570 19.198 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.816 3.512 17.932 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.400 4.308 18.554 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.450 3.221 15.681 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.164 3.936 16.885 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.211 2.846 14.010 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.574 3.200 14.611 1.00 0.00 H new ATOM 313 N ILE A 23 17.026 5.848 18.202 1.00 0.00 N ATOM 314 CA ILE A 23 15.643 6.004 18.633 1.00 0.00 C ATOM 315 C ILE A 23 14.819 4.766 18.296 1.00 0.00 C ATOM 316 O ILE A 23 15.033 4.128 17.266 1.00 0.00 O ATOM 317 CB ILE A 23 14.986 7.237 17.985 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.799 8.496 18.292 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.553 7.392 18.472 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.406 9.690 17.450 1.00 0.00 C ATOM 0 H ILE A 23 17.162 5.906 17.193 1.00 0.00 H new ATOM 0 HA ILE A 23 15.663 6.140 19.714 1.00 0.00 H new ATOM 0 HB ILE A 23 14.967 7.094 16.905 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.678 8.749 19.345 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.856 8.283 18.135 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.103 8.268 18.005 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.980 6.504 18.206 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.548 7.516 19.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.024 10.546 17.722 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.554 9.456 16.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.357 9.929 17.625 1.00 0.00 H new ATOM 332 N ASN A 24 13.874 4.435 19.170 1.00 0.00 N ATOM 333 CA ASN A 24 13.016 3.274 18.964 1.00 0.00 C ATOM 334 C ASN A 24 11.853 3.614 18.037 1.00 0.00 C ATOM 335 O ASN A 24 10.719 3.786 18.484 1.00 0.00 O ATOM 336 CB ASN A 24 12.482 2.763 20.304 1.00 0.00 C ATOM 337 CG ASN A 24 13.561 2.108 21.144 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.480 1.482 20.615 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.453 2.248 22.460 1.00 0.00 N ATOM 0 H ASN A 24 13.683 4.954 20.027 1.00 0.00 H new ATOM 0 HA ASN A 24 13.613 2.491 18.496 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.047 3.594 20.859 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.681 2.046 20.123 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.149 1.828 23.076 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.674 2.776 22.855 1.00 0.00 H new ATOM 346 N TYR A 25 12.142 3.710 16.744 1.00 0.00 N ATOM 347 CA TYR A 25 11.121 4.032 15.754 1.00 0.00 C ATOM 348 C TYR A 25 11.377 3.290 14.446 1.00 0.00 C ATOM 349 O TYR A 25 12.516 3.184 13.993 1.00 0.00 O ATOM 350 CB TYR A 25 11.086 5.540 15.499 1.00 0.00 C ATOM 351 CG TYR A 25 9.963 5.973 14.583 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.644 5.971 15.019 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.222 6.384 13.281 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.616 6.365 14.186 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.200 6.782 12.441 1.00 0.00 C ATOM 356 CZ TYR A 25 7.899 6.770 12.898 1.00 0.00 C ATOM 357 OH TYR A 25 6.877 7.164 12.064 1.00 0.00 O ATOM 0 H TYR A 25 13.075 3.569 16.357 1.00 0.00 H new ATOM 0 HA TYR A 25 10.156 3.714 16.148 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.987 6.059 16.452 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.037 5.849 15.065 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.419 5.656 16.027 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.240 6.392 12.920 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.596 6.356 14.541 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.419 7.101 11.432 1.00 0.00 H new ATOM 0 HH TYR A 25 7.246 7.420 11.193 1.00 0.00 H new ATOM 367 N GLU A 26 10.308 2.777 13.845 1.00 0.00 N ATOM 368 CA GLU A 26 10.417 2.044 12.589 1.00 0.00 C ATOM 369 C GLU A 26 10.054 2.937 11.405 1.00 0.00 C ATOM 370 O GLU A 26 8.970 3.520 11.362 1.00 0.00 O ATOM 371 CB GLU A 26 9.508 0.813 12.611 1.00 0.00 C ATOM 372 CG GLU A 26 9.947 -0.284 11.656 1.00 0.00 C ATOM 373 CD GLU A 26 9.047 -1.503 11.715 1.00 0.00 C ATOM 374 OE1 GLU A 26 9.255 -2.353 12.606 1.00 0.00 O ATOM 375 OE2 GLU A 26 8.134 -1.607 10.869 1.00 0.00 O ATOM 0 H GLU A 26 9.358 2.855 14.207 1.00 0.00 H new ATOM 0 HA GLU A 26 11.452 1.721 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.479 0.411 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.492 1.117 12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.956 0.107 10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.969 -0.580 11.893 1.00 0.00 H new ATOM 382 N VAL A 27 10.969 3.039 10.446 1.00 0.00 N ATOM 383 CA VAL A 27 10.746 3.859 9.261 1.00 0.00 C ATOM 384 C VAL A 27 10.673 3.000 8.004 1.00 0.00 C ATOM 385 O VAL A 27 10.054 3.383 7.012 1.00 0.00 O ATOM 386 CB VAL A 27 11.859 4.909 9.088 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.702 6.027 10.107 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.229 4.257 9.207 1.00 0.00 C ATOM 0 H VAL A 27 11.871 2.564 10.467 1.00 0.00 H new ATOM 0 HA VAL A 27 9.794 4.370 9.404 1.00 0.00 H new ATOM 0 HB VAL A 27 11.773 5.343 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.497 6.759 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.735 6.511 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.761 5.613 11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.004 5.013 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.328 3.795 10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.338 3.495 8.435 1.00 0.00 H new ATOM 398 N GLY A 28 11.309 1.833 8.053 1.00 0.00 N ATOM 399 CA GLY A 28 11.304 0.936 6.912 1.00 0.00 C ATOM 400 C GLY A 28 12.017 -0.370 7.198 1.00 0.00 C ATOM 401 O GLY A 28 11.430 -1.296 7.758 1.00 0.00 O ATOM 0 H GLY A 28 11.828 1.493 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.274 0.728 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.781 1.429 6.065 1.00 0.00 H new ATOM 405 N ASP A 29 13.285 -0.446 6.810 1.00 0.00 N ATOM 406 CA ASP A 29 14.080 -1.650 7.028 1.00 0.00 C ATOM 407 C ASP A 29 14.696 -1.650 8.423 1.00 0.00 C ATOM 408 O ASP A 29 14.790 -2.693 9.071 1.00 0.00 O ATOM 409 CB ASP A 29 15.181 -1.757 5.971 1.00 0.00 C ATOM 410 CG ASP A 29 14.647 -2.196 4.622 1.00 0.00 C ATOM 411 OD1 ASP A 29 13.554 -2.799 4.583 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.322 -1.937 3.604 1.00 0.00 O ATOM 0 H ASP A 29 13.785 0.311 6.343 1.00 0.00 H new ATOM 0 HA ASP A 29 13.419 -2.513 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.675 -0.791 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.937 -2.467 6.308 1.00 0.00 H new ATOM 417 N SER A 30 15.114 -0.474 8.880 1.00 0.00 N ATOM 418 CA SER A 30 15.726 -0.339 10.197 1.00 0.00 C ATOM 419 C SER A 30 14.660 -0.282 11.288 1.00 0.00 C ATOM 420 O SER A 30 13.635 0.384 11.137 1.00 0.00 O ATOM 421 CB SER A 30 16.596 0.918 10.252 1.00 0.00 C ATOM 422 OG SER A 30 17.543 0.837 11.303 1.00 0.00 O ATOM 0 H SER A 30 15.040 0.399 8.358 1.00 0.00 H new ATOM 0 HA SER A 30 16.353 -1.214 10.371 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.113 1.048 9.301 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.965 1.795 10.394 1.00 0.00 H new ATOM 0 HG SER A 30 17.301 1.470 12.011 1.00 0.00 H new ATOM 428 N LYS A 31 14.909 -0.986 12.387 1.00 0.00 N ATOM 429 CA LYS A 31 13.974 -1.016 13.505 1.00 0.00 C ATOM 430 C LYS A 31 14.075 0.260 14.334 1.00 0.00 C ATOM 431 O LYS A 31 13.094 0.705 14.930 1.00 0.00 O ATOM 432 CB LYS A 31 14.245 -2.235 14.390 1.00 0.00 C ATOM 433 CG LYS A 31 13.717 -3.536 13.812 1.00 0.00 C ATOM 434 CD LYS A 31 13.542 -4.594 14.889 1.00 0.00 C ATOM 435 CE LYS A 31 13.331 -5.974 14.285 1.00 0.00 C ATOM 436 NZ LYS A 31 11.972 -6.120 13.694 1.00 0.00 N ATOM 0 H LYS A 31 15.751 -1.544 12.527 1.00 0.00 H new ATOM 0 HA LYS A 31 12.964 -1.085 13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.320 -2.327 14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.792 -2.071 15.368 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.762 -3.355 13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.404 -3.902 13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.421 -4.608 15.533 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.690 -4.337 15.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.082 -6.152 13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.476 -6.733 15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.868 -7.074 13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.255 -5.975 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.842 -5.413 12.943 1.00 0.00 H new ATOM 450 N LYS A 32 15.267 0.847 14.366 1.00 0.00 N ATOM 451 CA LYS A 32 15.496 2.074 15.119 1.00 0.00 C ATOM 452 C LYS A 32 16.016 3.182 14.209 1.00 0.00 C ATOM 453 O LYS A 32 16.331 2.944 13.042 1.00 0.00 O ATOM 454 CB LYS A 32 16.492 1.822 16.253 1.00 0.00 C ATOM 455 CG LYS A 32 17.708 1.017 15.827 1.00 0.00 C ATOM 456 CD LYS A 32 17.482 -0.474 16.013 1.00 0.00 C ATOM 457 CE LYS A 32 17.916 -0.936 17.396 1.00 0.00 C ATOM 458 NZ LYS A 32 19.397 -1.037 17.508 1.00 0.00 N ATOM 0 H LYS A 32 16.090 0.492 13.879 1.00 0.00 H new ATOM 0 HA LYS A 32 14.544 2.393 15.543 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.823 2.780 16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.984 1.296 17.062 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.934 1.224 14.781 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.575 1.330 16.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.427 -0.704 15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.037 -1.025 15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.542 -0.239 18.146 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.469 -1.906 17.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.647 -1.497 18.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.767 -1.600 16.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.813 -0.084 17.480 1.00 0.00 H new ATOM 472 N LEU A 33 16.104 4.392 14.749 1.00 0.00 N ATOM 473 CA LEU A 33 16.588 5.537 13.985 1.00 0.00 C ATOM 474 C LEU A 33 17.970 5.968 14.465 1.00 0.00 C ATOM 475 O LEU A 33 18.423 5.557 15.534 1.00 0.00 O ATOM 476 CB LEU A 33 15.608 6.705 14.104 1.00 0.00 C ATOM 477 CG LEU A 33 15.563 7.668 12.917 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.173 6.931 11.646 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.596 8.810 13.192 1.00 0.00 C ATOM 0 H LEU A 33 15.847 4.606 15.713 1.00 0.00 H new ATOM 0 HA LEU A 33 16.664 5.238 12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.608 6.300 14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.860 7.274 14.999 1.00 0.00 H new ATOM 0 HG LEU A 33 16.559 8.088 12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.146 7.633 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.904 6.150 11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.188 6.481 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.577 9.485 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.597 8.408 13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.920 9.356 14.078 1.00 0.00 H new ATOM 491 N PHE A 34 18.635 6.799 13.670 1.00 0.00 N ATOM 492 CA PHE A 34 19.965 7.287 14.014 1.00 0.00 C ATOM 493 C PHE A 34 19.978 8.810 14.112 1.00 0.00 C ATOM 494 O PHE A 34 19.386 9.501 13.283 1.00 0.00 O ATOM 495 CB PHE A 34 20.987 6.823 12.974 1.00 0.00 C ATOM 496 CG PHE A 34 22.403 7.185 13.321 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.019 6.637 14.434 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.117 8.074 12.534 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.321 6.969 14.756 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.420 8.409 12.851 1.00 0.00 C ATOM 501 CZ PHE A 34 25.023 7.855 13.963 1.00 0.00 C ATOM 0 H PHE A 34 18.274 7.149 12.782 1.00 0.00 H new ATOM 0 HA PHE A 34 20.234 6.876 14.987 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.914 5.741 12.862 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.735 7.261 12.008 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.475 5.942 15.057 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.650 8.510 11.663 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.789 6.536 15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.966 9.103 12.230 1.00 0.00 H new ATOM 0 HZ PHE A 34 26.041 8.114 14.212 1.00 0.00 H new ATOM 511 N PHE A 35 20.657 9.325 15.132 1.00 0.00 N ATOM 512 CA PHE A 35 20.746 10.766 15.340 1.00 0.00 C ATOM 513 C PHE A 35 21.990 11.122 16.149 1.00 0.00 C ATOM 514 O PHE A 35 22.383 10.392 17.059 1.00 0.00 O ATOM 515 CB PHE A 35 19.494 11.277 16.057 1.00 0.00 C ATOM 516 CG PHE A 35 19.439 10.900 17.510 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.089 9.615 17.893 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.736 11.831 18.492 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.037 9.265 19.229 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.686 11.486 19.830 1.00 0.00 C ATOM 521 CZ PHE A 35 19.335 10.202 20.198 1.00 0.00 C ATOM 0 H PHE A 35 21.153 8.767 15.827 1.00 0.00 H new ATOM 0 HA PHE A 35 20.819 11.246 14.364 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.453 12.363 15.970 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.611 10.883 15.554 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.854 8.879 17.139 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.009 12.837 18.209 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.764 8.260 19.514 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.921 12.220 20.587 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.294 9.931 21.243 1.00 0.00 H new ATOM 531 N HIS A 36 22.605 12.251 15.810 1.00 0.00 N ATOM 532 CA HIS A 36 23.805 12.705 16.504 1.00 0.00 C ATOM 533 C HIS A 36 23.474 13.825 17.485 1.00 0.00 C ATOM 534 O HIS A 36 22.403 14.429 17.416 1.00 0.00 O ATOM 535 CB HIS A 36 24.851 13.186 15.497 1.00 0.00 C ATOM 536 CG HIS A 36 26.230 13.294 16.071 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.912 14.488 16.173 1.00 0.00 N ATOM 538 CD2 HIS A 36 27.054 12.347 16.577 1.00 0.00 C ATOM 539 CE1 HIS A 36 28.097 14.271 16.715 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.208 12.980 16.970 1.00 0.00 N ATOM 0 H HIS A 36 22.293 12.867 15.060 1.00 0.00 H new ATOM 0 HA HIS A 36 24.211 11.863 17.064 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.871 12.499 14.651 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.550 14.160 15.110 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.843 11.291 16.657 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.847 15.022 16.915 1.00 0.00 H new ATOM 0 HE2 HIS A 36 29.019 12.526 17.391 1.00 0.00 H new ATOM 548 N VAL A 37 24.399 14.097 18.400 1.00 0.00 N ATOM 549 CA VAL A 37 24.205 15.144 19.396 1.00 0.00 C ATOM 550 C VAL A 37 23.902 16.483 18.733 1.00 0.00 C ATOM 551 O VAL A 37 23.271 17.356 19.330 1.00 0.00 O ATOM 552 CB VAL A 37 25.445 15.299 20.297 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.538 14.142 21.280 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.707 15.395 19.453 1.00 0.00 C ATOM 0 H VAL A 37 25.290 13.607 18.472 1.00 0.00 H new ATOM 0 HA VAL A 37 23.355 14.844 20.009 1.00 0.00 H new ATOM 0 HB VAL A 37 25.346 16.222 20.868 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.420 14.268 21.908 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.646 14.124 21.906 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.615 13.203 20.731 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.573 15.504 20.105 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.815 14.490 18.855 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.638 16.260 18.793 1.00 0.00 H new ATOM 564 N LYS A 38 24.355 16.640 17.494 1.00 0.00 N ATOM 565 CA LYS A 38 24.132 17.872 16.747 1.00 0.00 C ATOM 566 C LYS A 38 22.652 18.049 16.420 1.00 0.00 C ATOM 567 O LYS A 38 22.174 19.171 16.255 1.00 0.00 O ATOM 568 CB LYS A 38 24.954 17.866 15.456 1.00 0.00 C ATOM 569 CG LYS A 38 24.430 16.902 14.406 1.00 0.00 C ATOM 570 CD LYS A 38 25.547 16.393 13.510 1.00 0.00 C ATOM 571 CE LYS A 38 25.821 17.351 12.362 1.00 0.00 C ATOM 572 NZ LYS A 38 27.168 17.133 11.766 1.00 0.00 N ATOM 0 H LYS A 38 24.880 15.928 16.985 1.00 0.00 H new ATOM 0 HA LYS A 38 24.451 18.708 17.369 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.967 18.873 15.039 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.986 17.606 15.693 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.942 16.059 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.673 17.399 13.799 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.455 16.260 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.278 15.414 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.059 17.224 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.744 18.378 12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.316 17.806 10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.897 17.279 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.233 16.161 11.401 1.00 0.00 H new ATOM 586 N GLU A 39 21.934 16.934 16.329 1.00 0.00 N ATOM 587 CA GLU A 39 20.508 16.968 16.022 1.00 0.00 C ATOM 588 C GLU A 39 19.736 17.717 17.104 1.00 0.00 C ATOM 589 O GLU A 39 19.163 18.777 16.854 1.00 0.00 O ATOM 590 CB GLU A 39 19.961 15.547 15.879 1.00 0.00 C ATOM 591 CG GLU A 39 20.627 14.745 14.774 1.00 0.00 C ATOM 592 CD GLU A 39 20.472 15.391 13.411 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.618 16.291 13.274 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.206 14.995 12.480 1.00 0.00 O ATOM 0 H GLU A 39 22.315 15.997 16.463 1.00 0.00 H new ATOM 0 HA GLU A 39 20.378 17.496 15.077 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.089 15.021 16.825 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.890 15.597 15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.687 14.632 15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.198 13.743 14.748 1.00 0.00 H new ATOM 601 N VAL A 40 19.725 17.156 18.310 1.00 0.00 N ATOM 602 CA VAL A 40 19.025 17.770 19.432 1.00 0.00 C ATOM 603 C VAL A 40 19.433 19.228 19.604 1.00 0.00 C ATOM 604 O VAL A 40 20.620 19.547 19.667 1.00 0.00 O ATOM 605 CB VAL A 40 19.298 17.013 20.745 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.793 16.924 21.009 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.583 17.687 21.906 1.00 0.00 C ATOM 0 H VAL A 40 20.193 16.278 18.534 1.00 0.00 H new ATOM 0 HA VAL A 40 17.960 17.719 19.206 1.00 0.00 H new ATOM 0 HB VAL A 40 18.910 15.999 20.647 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.967 16.386 21.941 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.276 16.394 20.188 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.209 17.928 21.087 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.787 17.139 22.826 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.940 18.712 22.007 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.509 17.694 21.718 1.00 0.00 H new ATOM 617 N GLN A 41 18.441 20.110 19.680 1.00 0.00 N ATOM 618 CA GLN A 41 18.698 21.536 19.844 1.00 0.00 C ATOM 619 C GLN A 41 18.178 22.030 21.190 1.00 0.00 C ATOM 620 O GLN A 41 17.789 21.236 22.046 1.00 0.00 O ATOM 621 CB GLN A 41 18.046 22.327 18.710 1.00 0.00 C ATOM 622 CG GLN A 41 18.271 21.719 17.335 1.00 0.00 C ATOM 623 CD GLN A 41 19.727 21.757 16.912 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.584 22.257 17.640 1.00 0.00 O ATOM 625 NE2 GLN A 41 20.013 21.226 15.729 1.00 0.00 N ATOM 0 H GLN A 41 17.453 19.862 19.631 1.00 0.00 H new ATOM 0 HA GLN A 41 19.776 21.692 19.812 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.974 22.396 18.896 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.437 23.344 18.716 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.924 20.686 17.337 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.669 22.256 16.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 19.270 20.822 15.158 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.975 21.222 15.391 1.00 0.00 H new ATOM 634 N ASP A 42 18.175 23.347 21.370 1.00 0.00 N ATOM 635 CA ASP A 42 17.703 23.948 22.611 1.00 0.00 C ATOM 636 C ASP A 42 18.527 23.461 23.799 1.00 0.00 C ATOM 637 O ASP A 42 18.058 23.467 24.937 1.00 0.00 O ATOM 638 CB ASP A 42 16.225 23.620 22.831 1.00 0.00 C ATOM 639 CG ASP A 42 15.498 24.708 23.597 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.889 25.887 23.466 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.540 24.381 24.328 1.00 0.00 O ATOM 0 H ASP A 42 18.494 24.018 20.671 1.00 0.00 H new ATOM 0 HA ASP A 42 17.820 25.029 22.530 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.741 23.474 21.865 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.142 22.679 23.375 1.00 0.00 H new ATOM 646 N GLY A 43 19.757 23.038 23.526 1.00 0.00 N ATOM 647 CA GLY A 43 20.626 22.552 24.581 1.00 0.00 C ATOM 648 C GLY A 43 19.967 21.482 25.429 1.00 0.00 C ATOM 649 O GLY A 43 19.965 21.568 26.658 1.00 0.00 O ATOM 0 H GLY A 43 20.167 23.023 22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.538 22.151 24.140 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.920 23.386 25.218 1.00 0.00 H new ATOM 653 N ILE A 44 19.404 20.473 24.773 1.00 0.00 N ATOM 654 CA ILE A 44 18.738 19.383 25.475 1.00 0.00 C ATOM 655 C ILE A 44 19.524 18.083 25.343 1.00 0.00 C ATOM 656 O ILE A 44 20.203 17.856 24.342 1.00 0.00 O ATOM 657 CB ILE A 44 17.309 19.162 24.944 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.557 20.492 24.872 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.563 18.173 25.828 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.342 21.139 26.222 1.00 0.00 C ATOM 0 H ILE A 44 19.396 20.388 23.757 1.00 0.00 H new ATOM 0 HA ILE A 44 18.687 19.669 26.526 1.00 0.00 H new ATOM 0 HB ILE A 44 17.371 18.746 23.938 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.111 21.179 24.233 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.589 20.327 24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.555 18.027 25.440 1.00 0.00 H new ATOM 0 HG22 ILE A 44 17.091 17.220 25.834 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.508 18.563 26.844 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.803 22.078 26.094 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.761 20.471 26.857 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.307 21.336 26.689 1.00 0.00 H new ATOM 672 N GLU A 45 19.425 17.232 26.360 1.00 0.00 N ATOM 673 CA GLU A 45 20.126 15.954 26.357 1.00 0.00 C ATOM 674 C GLU A 45 19.143 14.794 26.481 1.00 0.00 C ATOM 675 O GLU A 45 18.575 14.557 27.548 1.00 0.00 O ATOM 676 CB GLU A 45 21.142 15.901 27.500 1.00 0.00 C ATOM 677 CG GLU A 45 22.487 16.512 27.148 1.00 0.00 C ATOM 678 CD GLU A 45 23.348 16.770 28.369 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.814 17.289 29.372 1.00 0.00 O ATOM 680 OE2 GLU A 45 24.555 16.454 28.322 1.00 0.00 O ATOM 0 H GLU A 45 18.866 17.405 27.196 1.00 0.00 H new ATOM 0 HA GLU A 45 20.653 15.861 25.408 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.731 16.422 28.365 1.00 0.00 H new ATOM 0 HB3 GLU A 45 21.290 14.862 27.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 23.018 15.846 26.468 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.328 17.450 26.616 1.00 0.00 H new ATOM 687 N LEU A 46 18.946 14.073 25.382 1.00 0.00 N ATOM 688 CA LEU A 46 18.031 12.937 25.367 1.00 0.00 C ATOM 689 C LEU A 46 18.603 11.766 26.160 1.00 0.00 C ATOM 690 O LEU A 46 19.819 11.621 26.280 1.00 0.00 O ATOM 691 CB LEU A 46 17.750 12.503 23.927 1.00 0.00 C ATOM 692 CG LEU A 46 17.465 13.627 22.931 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.475 13.094 21.507 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.132 14.292 23.244 1.00 0.00 C ATOM 0 H LEU A 46 19.407 14.255 24.491 1.00 0.00 H new ATOM 0 HA LEU A 46 17.097 13.248 25.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.607 11.934 23.566 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.897 11.825 23.933 1.00 0.00 H new ATOM 0 HG LEU A 46 18.252 14.375 23.022 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.270 13.909 20.812 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.452 12.665 21.286 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.709 12.325 21.401 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.946 15.090 22.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.333 13.553 23.181 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.161 14.710 24.250 1.00 0.00 H new ATOM 706 N GLN A 47 17.717 10.933 26.698 1.00 0.00 N ATOM 707 CA GLN A 47 18.134 9.775 27.478 1.00 0.00 C ATOM 708 C GLN A 47 17.257 8.566 27.169 1.00 0.00 C ATOM 709 O GLN A 47 16.384 8.625 26.305 1.00 0.00 O ATOM 710 CB GLN A 47 18.077 10.093 28.973 1.00 0.00 C ATOM 711 CG GLN A 47 19.075 11.153 29.409 1.00 0.00 C ATOM 712 CD GLN A 47 19.269 11.190 30.912 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.961 10.345 31.480 1.00 0.00 O ATOM 714 NE2 GLN A 47 18.658 12.172 31.564 1.00 0.00 N ATOM 0 H GLN A 47 16.707 11.039 26.608 1.00 0.00 H new ATOM 0 HA GLN A 47 19.161 9.535 27.204 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.071 10.427 29.227 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.261 9.179 29.537 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.034 10.963 28.927 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.734 12.130 29.066 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.094 12.851 31.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.753 12.248 32.577 1.00 0.00 H new ATOM 723 N ALA A 48 17.497 7.470 27.882 1.00 0.00 N ATOM 724 CA ALA A 48 16.728 6.247 27.685 1.00 0.00 C ATOM 725 C ALA A 48 15.310 6.397 28.227 1.00 0.00 C ATOM 726 O ALA A 48 15.103 6.468 29.438 1.00 0.00 O ATOM 727 CB ALA A 48 17.427 5.071 28.348 1.00 0.00 C ATOM 0 H ALA A 48 18.218 7.404 28.601 1.00 0.00 H new ATOM 0 HA ALA A 48 16.661 6.058 26.614 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.841 4.165 28.193 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.417 4.943 27.911 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.524 5.261 29.417 1.00 0.00 H new ATOM 733 N GLY A 49 14.337 6.445 27.323 1.00 0.00 N ATOM 734 CA GLY A 49 12.952 6.587 27.730 1.00 0.00 C ATOM 735 C GLY A 49 12.426 7.993 27.519 1.00 0.00 C ATOM 736 O GLY A 49 11.387 8.363 28.067 1.00 0.00 O ATOM 0 H GLY A 49 14.483 6.388 26.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.337 5.884 27.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.857 6.321 28.783 1.00 0.00 H new ATOM 740 N ASP A 50 13.145 8.778 26.725 1.00 0.00 N ATOM 741 CA ASP A 50 12.746 10.152 26.444 1.00 0.00 C ATOM 742 C ASP A 50 12.014 10.242 25.109 1.00 0.00 C ATOM 743 O ASP A 50 12.601 10.014 24.052 1.00 0.00 O ATOM 744 CB ASP A 50 13.970 11.069 26.431 1.00 0.00 C ATOM 745 CG ASP A 50 14.346 11.552 27.818 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.165 10.782 28.784 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.821 12.701 27.938 1.00 0.00 O ATOM 0 H ASP A 50 14.007 8.487 26.264 1.00 0.00 H new ATOM 0 HA ASP A 50 12.068 10.476 27.233 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.815 10.537 25.993 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.769 11.929 25.792 1.00 0.00 H new ATOM 752 N GLU A 51 10.728 10.576 25.166 1.00 0.00 N ATOM 753 CA GLU A 51 9.916 10.694 23.961 1.00 0.00 C ATOM 754 C GLU A 51 10.128 12.049 23.292 1.00 0.00 C ATOM 755 O GLU A 51 9.837 13.094 23.875 1.00 0.00 O ATOM 756 CB GLU A 51 8.435 10.505 24.296 1.00 0.00 C ATOM 757 CG GLU A 51 7.623 9.912 23.157 1.00 0.00 C ATOM 758 CD GLU A 51 6.156 9.756 23.505 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.387 10.714 23.282 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.777 8.674 24.001 1.00 0.00 O ATOM 0 H GLU A 51 10.227 10.769 26.033 1.00 0.00 H new ATOM 0 HA GLU A 51 10.227 9.913 23.267 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.349 9.857 25.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.008 11.469 24.572 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.718 10.549 22.278 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.035 8.938 22.891 1.00 0.00 H new ATOM 767 N VAL A 52 10.638 12.024 22.065 1.00 0.00 N ATOM 768 CA VAL A 52 10.889 13.249 21.316 1.00 0.00 C ATOM 769 C VAL A 52 10.200 13.214 19.957 1.00 0.00 C ATOM 770 O VAL A 52 9.892 12.143 19.434 1.00 0.00 O ATOM 771 CB VAL A 52 12.398 13.481 21.108 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.088 13.732 22.440 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.024 12.296 20.389 1.00 0.00 C ATOM 0 H VAL A 52 10.886 11.168 21.568 1.00 0.00 H new ATOM 0 HA VAL A 52 10.480 14.069 21.906 1.00 0.00 H new ATOM 0 HB VAL A 52 12.530 14.366 20.485 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.153 13.894 22.273 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.657 14.614 22.913 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.950 12.868 23.090 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.090 12.476 20.250 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.883 11.394 20.984 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.548 12.168 19.417 1.00 0.00 H new ATOM 783 N GLU A 53 9.961 14.392 19.389 1.00 0.00 N ATOM 784 CA GLU A 53 9.307 14.495 18.090 1.00 0.00 C ATOM 785 C GLU A 53 10.283 14.991 17.028 1.00 0.00 C ATOM 786 O GLU A 53 10.798 16.107 17.114 1.00 0.00 O ATOM 787 CB GLU A 53 8.104 15.436 18.173 1.00 0.00 C ATOM 788 CG GLU A 53 7.277 15.480 16.899 1.00 0.00 C ATOM 789 CD GLU A 53 6.441 16.741 16.789 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.002 17.843 16.967 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.226 16.626 16.525 1.00 0.00 O ATOM 0 H GLU A 53 10.210 15.288 19.808 1.00 0.00 H new ATOM 0 HA GLU A 53 8.962 13.501 17.805 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.466 15.124 19.000 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.455 16.442 18.403 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.941 15.412 16.037 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.621 14.610 16.866 1.00 0.00 H new ATOM 798 N PHE A 54 10.534 14.155 16.026 1.00 0.00 N ATOM 799 CA PHE A 54 11.450 14.508 14.947 1.00 0.00 C ATOM 800 C PHE A 54 10.745 14.450 13.595 1.00 0.00 C ATOM 801 O PHE A 54 9.664 13.874 13.470 1.00 0.00 O ATOM 802 CB PHE A 54 12.657 13.567 14.946 1.00 0.00 C ATOM 803 CG PHE A 54 12.284 12.113 14.890 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.898 11.529 13.694 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.320 11.331 16.033 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.554 10.192 13.641 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.977 9.993 15.985 1.00 0.00 C ATOM 808 CZ PHE A 54 11.594 9.422 14.787 1.00 0.00 C ATOM 0 H PHE A 54 10.116 13.229 15.938 1.00 0.00 H new ATOM 0 HA PHE A 54 11.794 15.529 15.115 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.292 13.804 14.092 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.249 13.748 15.843 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.866 12.125 12.794 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.620 11.772 16.972 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.254 9.749 12.703 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.008 9.394 16.883 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.327 8.376 14.746 1.00 0.00 H new ATOM 818 N SER A 55 11.365 15.052 12.585 1.00 0.00 N ATOM 819 CA SER A 55 10.796 15.073 11.242 1.00 0.00 C ATOM 820 C SER A 55 11.519 14.087 10.330 1.00 0.00 C ATOM 821 O SER A 55 12.748 14.079 10.255 1.00 0.00 O ATOM 822 CB SER A 55 10.876 16.483 10.654 1.00 0.00 C ATOM 823 OG SER A 55 12.171 16.751 10.147 1.00 0.00 O ATOM 0 H SER A 55 12.261 15.532 12.671 1.00 0.00 H new ATOM 0 HA SER A 55 9.750 14.775 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.141 16.590 9.857 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.624 17.215 11.421 1.00 0.00 H new ATOM 0 HG SER A 55 12.703 15.928 10.156 1.00 0.00 H new ATOM 829 N VAL A 56 10.747 13.257 9.636 1.00 0.00 N ATOM 830 CA VAL A 56 11.312 12.267 8.727 1.00 0.00 C ATOM 831 C VAL A 56 11.830 12.924 7.453 1.00 0.00 C ATOM 832 O VAL A 56 11.059 13.488 6.676 1.00 0.00 O ATOM 833 CB VAL A 56 10.275 11.192 8.353 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.893 10.151 7.432 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.709 10.539 9.605 1.00 0.00 C ATOM 0 H VAL A 56 9.728 13.251 9.686 1.00 0.00 H new ATOM 0 HA VAL A 56 12.142 11.793 9.251 1.00 0.00 H new ATOM 0 HB VAL A 56 9.455 11.673 7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.145 9.400 7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.245 10.635 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.732 9.672 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.978 9.782 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.516 10.071 10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.227 11.296 10.224 1.00 0.00 H new ATOM 845 N ILE A 57 13.140 12.846 7.244 1.00 0.00 N ATOM 846 CA ILE A 57 13.761 13.431 6.062 1.00 0.00 C ATOM 847 C ILE A 57 14.414 12.360 5.196 1.00 0.00 C ATOM 848 O ILE A 57 15.229 11.570 5.676 1.00 0.00 O ATOM 849 CB ILE A 57 14.820 14.482 6.445 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.248 15.465 7.468 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.305 15.221 5.207 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.067 16.256 6.952 1.00 0.00 C ATOM 0 H ILE A 57 13.792 12.383 7.878 1.00 0.00 H new ATOM 0 HA ILE A 57 12.966 13.917 5.496 1.00 0.00 H new ATOM 0 HB ILE A 57 15.671 13.971 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.945 14.914 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.033 16.157 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.053 15.960 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.747 14.510 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.463 15.723 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.714 16.932 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.370 16.834 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.265 15.572 6.674 1.00 0.00 H new ATOM 864 N LEU A 58 14.053 12.339 3.918 1.00 0.00 N ATOM 865 CA LEU A 58 14.606 11.365 2.983 1.00 0.00 C ATOM 866 C LEU A 58 15.448 12.053 1.914 1.00 0.00 C ATOM 867 O LEU A 58 15.015 13.029 1.302 1.00 0.00 O ATOM 868 CB LEU A 58 13.480 10.565 2.324 1.00 0.00 C ATOM 869 CG LEU A 58 13.861 9.778 1.070 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.996 8.811 1.371 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.654 9.031 0.522 1.00 0.00 C ATOM 0 H LEU A 58 13.380 12.985 3.505 1.00 0.00 H new ATOM 0 HA LEU A 58 15.248 10.685 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.079 9.867 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.675 11.253 2.066 1.00 0.00 H new ATOM 0 HG LEU A 58 14.202 10.483 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.254 8.260 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.867 9.368 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.682 8.111 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.944 8.476 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.283 8.337 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.870 9.744 0.267 1.00 0.00 H new ATOM 883 N ASN A 59 16.653 11.537 1.695 1.00 0.00 N ATOM 884 CA ASN A 59 17.556 12.102 0.698 1.00 0.00 C ATOM 885 C ASN A 59 17.407 11.384 -0.640 1.00 0.00 C ATOM 886 O ASN A 59 17.443 10.156 -0.703 1.00 0.00 O ATOM 887 CB ASN A 59 19.005 12.008 1.181 1.00 0.00 C ATOM 888 CG ASN A 59 19.397 13.176 2.066 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.553 13.770 2.737 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.682 13.510 2.069 1.00 0.00 N ATOM 0 H ASN A 59 17.027 10.730 2.194 1.00 0.00 H new ATOM 0 HA ASN A 59 17.293 13.151 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.142 11.077 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.671 11.970 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.005 14.288 2.644 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.346 12.989 1.496 1.00 0.00 H new ATOM 897 N GLN A 60 17.240 12.160 -1.706 1.00 0.00 N ATOM 898 CA GLN A 60 17.085 11.598 -3.042 1.00 0.00 C ATOM 899 C GLN A 60 18.441 11.256 -3.649 1.00 0.00 C ATOM 900 O GLN A 60 18.546 10.371 -4.500 1.00 0.00 O ATOM 901 CB GLN A 60 16.341 12.581 -3.949 1.00 0.00 C ATOM 902 CG GLN A 60 14.880 12.768 -3.573 1.00 0.00 C ATOM 903 CD GLN A 60 14.175 13.778 -4.457 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.762 14.781 -4.864 1.00 0.00 O ATOM 905 NE2 GLN A 60 12.908 13.518 -4.760 1.00 0.00 N ATOM 0 H GLN A 60 17.209 13.179 -1.670 1.00 0.00 H new ATOM 0 HA GLN A 60 16.503 10.680 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.844 13.548 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.401 12.229 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.366 11.809 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.815 13.092 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.460 12.675 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.383 14.162 -5.352 1.00 0.00 H new ATOM 914 N ARG A 61 19.477 11.961 -3.208 1.00 0.00 N ATOM 915 CA ARG A 61 20.827 11.733 -3.709 1.00 0.00 C ATOM 916 C ARG A 61 21.387 10.415 -3.181 1.00 0.00 C ATOM 917 O ARG A 61 21.954 9.622 -3.934 1.00 0.00 O ATOM 918 CB ARG A 61 21.746 12.887 -3.306 1.00 0.00 C ATOM 919 CG ARG A 61 23.003 12.990 -4.154 1.00 0.00 C ATOM 920 CD ARG A 61 23.507 14.423 -4.233 1.00 0.00 C ATOM 921 NE ARG A 61 22.538 15.308 -4.874 1.00 0.00 N ATOM 922 CZ ARG A 61 22.559 16.631 -4.752 1.00 0.00 C ATOM 923 NH1 ARG A 61 23.493 17.218 -4.016 1.00 0.00 N ATOM 924 NH2 ARG A 61 21.643 17.369 -5.366 1.00 0.00 N ATOM 0 H ARG A 61 19.407 12.696 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 61 20.779 11.679 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.192 13.823 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.032 12.765 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.780 12.353 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.797 12.620 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.722 14.788 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.444 14.448 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 61 21.806 14.888 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 24.198 16.654 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 61 23.506 18.234 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.922 16.921 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.659 18.385 -5.272 1.00 0.00 H new ATOM 938 N THR A 62 21.225 10.187 -1.881 1.00 0.00 N ATOM 939 CA THR A 62 21.715 8.968 -1.252 1.00 0.00 C ATOM 940 C THR A 62 20.614 7.917 -1.157 1.00 0.00 C ATOM 941 O THR A 62 20.754 6.809 -1.673 1.00 0.00 O ATOM 942 CB THR A 62 22.266 9.246 0.159 1.00 0.00 C ATOM 943 OG1 THR A 62 21.382 10.123 0.867 1.00 0.00 O ATOM 944 CG2 THR A 62 23.653 9.867 0.086 1.00 0.00 C ATOM 0 H THR A 62 20.758 10.832 -1.244 1.00 0.00 H new ATOM 0 HA THR A 62 22.521 8.590 -1.881 1.00 0.00 H new ATOM 0 HB THR A 62 22.337 8.297 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.739 10.293 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.021 10.054 1.095 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.331 9.185 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.602 10.808 -0.462 1.00 0.00 H new ATOM 952 N GLY A 63 19.518 8.273 -0.494 1.00 0.00 N ATOM 953 CA GLY A 63 18.409 7.349 -0.345 1.00 0.00 C ATOM 954 C GLY A 63 18.279 6.823 1.070 1.00 0.00 C ATOM 955 O GLY A 63 17.745 5.736 1.291 1.00 0.00 O ATOM 0 H GLY A 63 19.378 9.184 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.483 7.849 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.543 6.512 -1.030 1.00 0.00 H new ATOM 959 N LYS A 64 18.771 7.594 2.034 1.00 0.00 N ATOM 960 CA LYS A 64 18.709 7.200 3.437 1.00 0.00 C ATOM 961 C LYS A 64 17.735 8.085 4.207 1.00 0.00 C ATOM 962 O LYS A 64 17.199 9.053 3.666 1.00 0.00 O ATOM 963 CB LYS A 64 20.099 7.280 4.072 1.00 0.00 C ATOM 964 CG LYS A 64 21.191 6.646 3.228 1.00 0.00 C ATOM 965 CD LYS A 64 20.986 5.148 3.085 1.00 0.00 C ATOM 966 CE LYS A 64 21.496 4.397 4.306 1.00 0.00 C ATOM 967 NZ LYS A 64 20.810 3.086 4.477 1.00 0.00 N ATOM 0 H LYS A 64 19.218 8.496 1.869 1.00 0.00 H new ATOM 0 HA LYS A 64 18.353 6.171 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.349 8.326 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.073 6.790 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.204 7.108 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.162 6.839 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.926 4.937 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.504 4.792 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.570 4.235 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.343 5.006 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.185 2.605 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.788 3.241 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.977 2.495 3.638 1.00 0.00 H new ATOM 981 N CYS A 65 17.510 7.747 5.472 1.00 0.00 N ATOM 982 CA CYS A 65 16.600 8.512 6.318 1.00 0.00 C ATOM 983 C CYS A 65 17.181 8.695 7.716 1.00 0.00 C ATOM 984 O CYS A 65 17.972 7.875 8.183 1.00 0.00 O ATOM 985 CB CYS A 65 15.242 7.813 6.404 1.00 0.00 C ATOM 986 SG CYS A 65 14.566 7.313 4.804 1.00 0.00 S ATOM 0 H CYS A 65 17.945 6.949 5.934 1.00 0.00 H new ATOM 0 HA CYS A 65 16.466 9.496 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.339 6.931 7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.532 8.480 6.894 1.00 0.00 H new ATOM 0 HG CYS A 65 13.418 6.729 4.981 1.00 0.00 H new ATOM 992 N SER A 66 16.786 9.777 8.378 1.00 0.00 N ATOM 993 CA SER A 66 17.272 10.072 9.721 1.00 0.00 C ATOM 994 C SER A 66 16.401 11.129 10.395 1.00 0.00 C ATOM 995 O SER A 66 15.483 11.674 9.783 1.00 0.00 O ATOM 996 CB SER A 66 18.724 10.549 9.668 1.00 0.00 C ATOM 997 OG SER A 66 18.813 11.850 9.113 1.00 0.00 O ATOM 0 H SER A 66 16.130 10.464 8.006 1.00 0.00 H new ATOM 0 HA SER A 66 17.220 9.155 10.308 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.147 10.549 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.317 9.855 9.072 1.00 0.00 H new ATOM 0 HG SER A 66 19.751 12.133 9.092 1.00 0.00 H new ATOM 1003 N ALA A 67 16.698 11.412 11.659 1.00 0.00 N ATOM 1004 CA ALA A 67 15.945 12.405 12.415 1.00 0.00 C ATOM 1005 C ALA A 67 16.611 13.774 12.340 1.00 0.00 C ATOM 1006 O ALA A 67 17.816 13.877 12.107 1.00 0.00 O ATOM 1007 CB ALA A 67 15.800 11.966 13.865 1.00 0.00 C ATOM 0 H ALA A 67 17.454 10.968 12.181 1.00 0.00 H new ATOM 0 HA ALA A 67 14.953 12.488 11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.236 12.717 14.418 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.273 11.013 13.906 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.788 11.853 14.312 1.00 0.00 H new ATOM 1013 N CYS A 68 15.820 14.824 12.536 1.00 0.00 N ATOM 1014 CA CYS A 68 16.334 16.188 12.489 1.00 0.00 C ATOM 1015 C CYS A 68 15.520 17.107 13.393 1.00 0.00 C ATOM 1016 O CYS A 68 14.310 16.939 13.538 1.00 0.00 O ATOM 1017 CB CYS A 68 16.311 16.714 11.053 1.00 0.00 C ATOM 1018 SG CYS A 68 17.605 17.923 10.689 1.00 0.00 S ATOM 0 H CYS A 68 14.821 14.756 12.729 1.00 0.00 H new ATOM 0 HA CYS A 68 17.363 16.175 12.847 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.412 15.873 10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.339 17.168 10.859 1.00 0.00 H new ATOM 0 HG CYS A 68 17.505 18.307 9.451 1.00 0.00 H new ATOM 1024 N ASN A 69 16.193 18.079 14.000 1.00 0.00 N ATOM 1025 CA ASN A 69 15.533 19.024 14.893 1.00 0.00 C ATOM 1026 C ASN A 69 14.808 18.293 16.019 1.00 0.00 C ATOM 1027 O ASN A 69 13.636 18.556 16.291 1.00 0.00 O ATOM 1028 CB ASN A 69 14.542 19.890 14.111 1.00 0.00 C ATOM 1029 CG ASN A 69 15.156 20.480 12.856 1.00 0.00 C ATOM 1030 OD1 ASN A 69 14.777 20.126 11.740 1.00 0.00 O ATOM 1031 ND2 ASN A 69 16.111 21.386 13.035 1.00 0.00 N ATOM 0 H ASN A 69 17.195 18.233 13.890 1.00 0.00 H new ATOM 0 HA ASN A 69 16.297 19.665 15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.674 19.289 13.840 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.184 20.696 14.751 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.562 21.818 12.228 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.394 21.649 13.979 1.00 0.00 H new ATOM 1038 N VAL A 70 15.513 17.375 16.672 1.00 0.00 N ATOM 1039 CA VAL A 70 14.938 16.608 17.770 1.00 0.00 C ATOM 1040 C VAL A 70 14.625 17.504 18.963 1.00 0.00 C ATOM 1041 O VAL A 70 15.506 18.182 19.491 1.00 0.00 O ATOM 1042 CB VAL A 70 15.885 15.481 18.223 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.237 14.646 19.317 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.282 14.610 17.041 1.00 0.00 C ATOM 0 H VAL A 70 16.484 17.144 16.459 1.00 0.00 H new ATOM 0 HA VAL A 70 14.013 16.168 17.398 1.00 0.00 H new ATOM 0 HB VAL A 70 16.789 15.933 18.631 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.921 13.855 19.624 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.009 15.281 20.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.316 14.203 18.939 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.951 13.819 17.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.389 14.166 16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.790 15.220 16.294 1.00 0.00 H new ATOM 1054 N TRP A 71 13.365 17.501 19.382 1.00 0.00 N ATOM 1055 CA TRP A 71 12.935 18.315 20.514 1.00 0.00 C ATOM 1056 C TRP A 71 12.372 17.441 21.630 1.00 0.00 C ATOM 1057 O TRP A 71 11.517 16.588 21.391 1.00 0.00 O ATOM 1058 CB TRP A 71 11.884 19.332 20.067 1.00 0.00 C ATOM 1059 CG TRP A 71 12.476 20.598 19.524 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.531 20.706 18.663 1.00 0.00 C ATOM 1061 CD2 TRP A 71 12.049 21.934 19.808 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.784 22.029 18.394 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.889 22.803 19.084 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.037 22.482 20.601 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.747 24.187 19.132 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.897 23.856 20.648 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.748 24.696 19.917 1.00 0.00 C ATOM 0 H TRP A 71 12.624 16.945 18.956 1.00 0.00 H new ATOM 0 HA TRP A 71 13.805 18.847 20.898 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.251 18.879 19.304 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.240 19.574 20.912 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.085 19.874 18.254 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.519 22.379 17.780 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.376 21.843 21.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.402 24.836 18.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 10.119 24.290 21.258 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.613 25.766 19.974 1.00 0.00 H new ATOM 1078 N ARG A 72 12.856 17.659 22.848 1.00 0.00 N ATOM 1079 CA ARG A 72 12.401 16.890 24.000 1.00 0.00 C ATOM 1080 C ARG A 72 11.077 17.433 24.527 1.00 0.00 C ATOM 1081 O ARG A 72 10.990 18.587 24.948 1.00 0.00 O ATOM 1082 CB ARG A 72 13.455 16.921 25.109 1.00 0.00 C ATOM 1083 CG ARG A 72 13.368 15.742 26.065 1.00 0.00 C ATOM 1084 CD ARG A 72 14.103 16.024 27.366 1.00 0.00 C ATOM 1085 NE ARG A 72 13.590 17.215 28.037 1.00 0.00 N ATOM 1086 CZ ARG A 72 14.217 17.823 29.038 1.00 0.00 C ATOM 1087 NH1 ARG A 72 15.376 17.353 29.480 1.00 0.00 N ATOM 1088 NH2 ARG A 72 13.687 18.902 29.597 1.00 0.00 N ATOM 0 H ARG A 72 13.563 18.362 23.063 1.00 0.00 H new ATOM 0 HA ARG A 72 12.250 15.859 23.680 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.446 16.938 24.656 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.347 17.846 25.675 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.322 15.521 26.277 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.791 14.856 25.591 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.008 15.165 28.030 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.166 16.153 27.161 1.00 0.00 H new ATOM 0 HE ARG A 72 12.701 17.602 27.720 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.787 16.524 29.051 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.856 17.821 30.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.796 19.267 29.259 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.170 19.368 30.365 1.00 0.00 H new ATOM 1102 N VAL A 73 10.046 16.593 24.502 1.00 0.00 N ATOM 1103 CA VAL A 73 8.726 16.988 24.977 1.00 0.00 C ATOM 1104 C VAL A 73 8.306 16.158 26.185 1.00 0.00 C ATOM 1105 O VAL A 73 7.453 16.573 26.970 1.00 0.00 O ATOM 1106 CB VAL A 73 7.664 16.840 23.872 1.00 0.00 C ATOM 1107 CG1 VAL A 73 8.025 17.694 22.666 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.509 15.380 23.475 1.00 0.00 C ATOM 0 H VAL A 73 10.101 15.634 24.158 1.00 0.00 H new ATOM 0 HA VAL A 73 8.794 18.037 25.266 1.00 0.00 H new ATOM 0 HB VAL A 73 6.708 17.190 24.261 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.263 17.576 21.896 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.080 18.741 22.965 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.991 17.378 22.272 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.755 15.294 22.693 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.461 15.001 23.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.200 14.798 24.343 1.00 0.00 H new ATOM 1118 N SER A 74 8.911 14.984 26.328 1.00 0.00 N ATOM 1119 CA SER A 74 8.598 14.093 27.439 1.00 0.00 C ATOM 1120 C SER A 74 9.564 14.310 28.600 1.00 0.00 C ATOM 1121 O SER A 74 9.710 13.453 29.470 1.00 0.00 O ATOM 1122 CB SER A 74 8.652 12.634 26.982 1.00 0.00 C ATOM 1123 OG SER A 74 7.377 12.023 27.072 1.00 0.00 O ATOM 0 H SER A 74 9.621 14.627 25.688 1.00 0.00 H new ATOM 0 HA SER A 74 7.589 14.322 27.782 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.010 12.585 25.954 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.366 12.084 27.595 1.00 0.00 H new ATOM 0 HG SER A 74 7.439 11.092 26.773 1.00 0.00 H new