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 68 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.989 K(o=1.4,f=-4.5!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 158:sc= 0.415 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 15 CYS SG : rot 26:sc= 0.333 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.95) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.267 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 36 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.5) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.0393 (180deg=-0.263) USER MOD Single : A 41 GLN : amide:sc= -0.0946 K(o=-0.095,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 59 ASN : amide:sc= -0.0795 K(o=-0.079,f=-1.9!) USER MOD Single : A 60 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.3) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 6.048 14.819 11.383 1.00 0.00 N ATOM 67 CA LEU A 8 6.614 14.697 12.722 1.00 0.00 C ATOM 68 C LEU A 8 6.153 13.408 13.392 1.00 0.00 C ATOM 69 O LEU A 8 4.966 13.083 13.385 1.00 0.00 O ATOM 70 CB LEU A 8 6.215 15.901 13.577 1.00 0.00 C ATOM 71 CG LEU A 8 6.598 17.274 13.024 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.741 18.362 13.652 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.075 17.552 13.263 1.00 0.00 C ATOM 0 HA LEU A 8 7.700 14.668 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.135 15.878 13.720 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.669 15.789 14.561 1.00 0.00 H new ATOM 0 HG LEU A 8 6.417 17.274 11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.029 19.332 13.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.691 18.172 13.429 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.888 18.363 14.732 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.330 18.533 12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.280 17.532 14.333 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.674 16.790 12.764 1.00 0.00 H new ATOM 85 N ARG A 9 7.100 12.678 13.973 1.00 0.00 N ATOM 86 CA ARG A 9 6.791 11.424 14.650 1.00 0.00 C ATOM 87 C ARG A 9 7.333 11.427 16.076 1.00 0.00 C ATOM 88 O ARG A 9 8.433 11.918 16.330 1.00 0.00 O ATOM 89 CB ARG A 9 7.375 10.243 13.873 1.00 0.00 C ATOM 90 CG ARG A 9 6.884 10.155 12.437 1.00 0.00 C ATOM 91 CD ARG A 9 5.388 9.888 12.376 1.00 0.00 C ATOM 92 NE ARG A 9 4.955 9.503 11.035 1.00 0.00 N ATOM 93 CZ ARG A 9 3.717 9.120 10.744 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.794 9.071 11.695 1.00 0.00 N ATOM 95 NH2 ARG A 9 3.400 8.784 9.500 1.00 0.00 N ATOM 0 H ARG A 9 8.087 12.933 13.988 1.00 0.00 H new ATOM 0 HA ARG A 9 5.707 11.321 14.693 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.462 10.322 13.872 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.123 9.318 14.391 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.110 11.085 11.916 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.418 9.360 11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.132 9.097 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.847 10.781 12.689 1.00 0.00 H new ATOM 0 HE ARG A 9 5.641 9.530 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.034 9.328 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.844 8.777 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.107 8.820 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.449 8.490 9.278 1.00 0.00 H new ATOM 109 N ARG A 10 6.554 10.877 17.001 1.00 0.00 N ATOM 110 CA ARG A 10 6.956 10.818 18.401 1.00 0.00 C ATOM 111 C ARG A 10 7.364 9.400 18.791 1.00 0.00 C ATOM 112 O ARG A 10 6.626 8.445 18.555 1.00 0.00 O ATOM 113 CB ARG A 10 5.816 11.298 19.302 1.00 0.00 C ATOM 114 CG ARG A 10 5.698 12.811 19.382 1.00 0.00 C ATOM 115 CD ARG A 10 4.498 13.233 20.214 1.00 0.00 C ATOM 116 NE ARG A 10 3.261 13.220 19.437 1.00 0.00 N ATOM 117 CZ ARG A 10 2.123 13.760 19.858 1.00 0.00 C ATOM 118 NH1 ARG A 10 2.065 14.354 21.042 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.040 13.707 19.093 1.00 0.00 N ATOM 0 H ARG A 10 5.641 10.466 16.806 1.00 0.00 H new ATOM 0 HA ARG A 10 7.816 11.474 18.533 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.876 10.888 18.933 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.966 10.900 20.306 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.607 13.225 19.817 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.609 13.224 18.377 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.396 12.564 21.069 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.666 14.234 20.611 1.00 0.00 H new ATOM 0 HE ARG A 10 3.272 12.772 18.521 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.896 14.397 21.632 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.190 14.768 21.363 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.081 13.251 18.181 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.166 14.122 19.417 1.00 0.00 H new ATOM 133 N ALA A 11 8.545 9.273 19.388 1.00 0.00 N ATOM 134 CA ALA A 11 9.050 7.973 19.811 1.00 0.00 C ATOM 135 C ALA A 11 10.010 8.113 20.988 1.00 0.00 C ATOM 136 O ALA A 11 10.529 9.198 21.253 1.00 0.00 O ATOM 137 CB ALA A 11 9.736 7.269 18.649 1.00 0.00 C ATOM 0 H ALA A 11 9.169 10.054 19.589 1.00 0.00 H new ATOM 0 HA ALA A 11 8.202 7.371 20.137 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.108 6.299 18.980 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.022 7.126 17.838 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.569 7.877 18.296 1.00 0.00 H new ATOM 143 N THR A 12 10.241 7.010 21.692 1.00 0.00 N ATOM 144 CA THR A 12 11.137 7.011 22.842 1.00 0.00 C ATOM 145 C THR A 12 12.525 6.510 22.458 1.00 0.00 C ATOM 146 O THR A 12 12.669 5.664 21.575 1.00 0.00 O ATOM 147 CB THR A 12 10.586 6.136 23.984 1.00 0.00 C ATOM 148 OG1 THR A 12 10.007 4.940 23.449 1.00 0.00 O ATOM 149 CG2 THR A 12 9.542 6.894 24.791 1.00 0.00 C ATOM 0 H THR A 12 9.820 6.104 21.486 1.00 0.00 H new ATOM 0 HA THR A 12 11.208 8.043 23.186 1.00 0.00 H new ATOM 0 HB THR A 12 11.413 5.875 24.644 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.661 4.388 24.181 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.167 6.256 25.592 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.993 7.788 25.221 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.717 7.181 24.140 1.00 0.00 H new ATOM 157 N VAL A 13 13.545 7.038 23.127 1.00 0.00 N ATOM 158 CA VAL A 13 14.922 6.643 22.857 1.00 0.00 C ATOM 159 C VAL A 13 15.325 5.440 23.702 1.00 0.00 C ATOM 160 O VAL A 13 14.963 5.344 24.875 1.00 0.00 O ATOM 161 CB VAL A 13 15.902 7.800 23.131 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.313 7.415 22.714 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.449 9.062 22.413 1.00 0.00 C ATOM 0 H VAL A 13 13.444 7.740 23.860 1.00 0.00 H new ATOM 0 HA VAL A 13 14.973 6.375 21.802 1.00 0.00 H new ATOM 0 HB VAL A 13 15.909 8.002 24.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.991 8.245 22.915 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.633 6.540 23.279 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.327 7.185 21.649 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.152 9.869 22.617 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.412 8.876 21.340 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.458 9.346 22.767 1.00 0.00 H new ATOM 173 N GLU A 14 16.076 4.524 23.099 1.00 0.00 N ATOM 174 CA GLU A 14 16.527 3.326 23.797 1.00 0.00 C ATOM 175 C GLU A 14 17.646 3.658 24.780 1.00 0.00 C ATOM 176 O GLU A 14 17.508 3.455 25.986 1.00 0.00 O ATOM 177 CB GLU A 14 17.010 2.276 22.794 1.00 0.00 C ATOM 178 CG GLU A 14 17.432 0.967 23.440 1.00 0.00 C ATOM 179 CD GLU A 14 16.313 0.319 24.231 1.00 0.00 C ATOM 180 OE1 GLU A 14 15.254 0.032 23.634 1.00 0.00 O ATOM 181 OE2 GLU A 14 16.495 0.098 25.446 1.00 0.00 O ATOM 0 H GLU A 14 16.385 4.589 22.129 1.00 0.00 H new ATOM 0 HA GLU A 14 15.683 2.923 24.356 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.214 2.077 22.077 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.851 2.682 22.232 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.772 0.278 22.667 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.280 1.149 24.100 1.00 0.00 H new ATOM 188 N CYS A 15 18.754 4.170 24.254 1.00 0.00 N ATOM 189 CA CYS A 15 19.898 4.530 25.084 1.00 0.00 C ATOM 190 C CYS A 15 20.680 5.682 24.463 1.00 0.00 C ATOM 191 O CYS A 15 20.900 5.715 23.252 1.00 0.00 O ATOM 192 CB CYS A 15 20.815 3.321 25.277 1.00 0.00 C ATOM 193 SG CYS A 15 20.321 2.227 26.630 1.00 0.00 S ATOM 0 H CYS A 15 18.884 4.345 23.258 1.00 0.00 H new ATOM 0 HA CYS A 15 19.523 4.852 26.056 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.841 2.747 24.351 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.830 3.674 25.462 1.00 0.00 H new ATOM 0 HG CYS A 15 19.043 2.342 26.837 1.00 0.00 H new ATOM 199 N VAL A 16 21.097 6.627 25.299 1.00 0.00 N ATOM 200 CA VAL A 16 21.854 7.783 24.832 1.00 0.00 C ATOM 201 C VAL A 16 23.150 7.945 25.619 1.00 0.00 C ATOM 202 O VAL A 16 23.172 8.574 26.677 1.00 0.00 O ATOM 203 CB VAL A 16 21.029 9.078 24.949 1.00 0.00 C ATOM 204 CG1 VAL A 16 21.794 10.253 24.357 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.679 8.913 24.268 1.00 0.00 C ATOM 0 H VAL A 16 20.923 6.615 26.304 1.00 0.00 H new ATOM 0 HA VAL A 16 22.090 7.605 23.783 1.00 0.00 H new ATOM 0 HB VAL A 16 20.854 9.283 26.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.196 11.160 24.448 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.734 10.383 24.894 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.001 10.059 23.304 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.109 9.838 24.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.829 8.683 23.213 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.130 8.100 24.742 1.00 0.00 H new ATOM 215 N LYS A 17 24.229 7.374 25.094 1.00 0.00 N ATOM 216 CA LYS A 17 25.531 7.456 25.745 1.00 0.00 C ATOM 217 C LYS A 17 26.511 8.266 24.902 1.00 0.00 C ATOM 218 O LYS A 17 26.837 9.405 25.234 1.00 0.00 O ATOM 219 CB LYS A 17 26.091 6.053 25.991 1.00 0.00 C ATOM 220 CG LYS A 17 25.613 5.427 27.289 1.00 0.00 C ATOM 221 CD LYS A 17 26.007 3.962 27.379 1.00 0.00 C ATOM 222 CE LYS A 17 25.539 3.338 28.685 1.00 0.00 C ATOM 223 NZ LYS A 17 25.430 1.856 28.584 1.00 0.00 N ATOM 0 H LYS A 17 24.227 6.849 24.219 1.00 0.00 H new ATOM 0 HA LYS A 17 25.399 7.961 26.702 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.808 5.407 25.160 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.180 6.102 26.000 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.036 5.971 28.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.529 5.518 27.361 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.577 3.416 26.539 1.00 0.00 H new ATOM 0 HD3 LYS A 17 27.090 3.870 27.298 1.00 0.00 H new ATOM 0 HE2 LYS A 17 26.236 3.597 29.482 1.00 0.00 H new ATOM 0 HE3 LYS A 17 24.571 3.755 28.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 25.108 1.469 29.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 24.746 1.608 27.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 26.360 1.455 28.346 1.00 0.00 H new ATOM 237 N ASP A 18 26.976 7.670 23.809 1.00 0.00 N ATOM 238 CA ASP A 18 27.916 8.337 22.916 1.00 0.00 C ATOM 239 C ASP A 18 27.243 9.493 22.183 1.00 0.00 C ATOM 240 O ASP A 18 26.027 9.666 22.261 1.00 0.00 O ATOM 241 CB ASP A 18 28.488 7.341 21.906 1.00 0.00 C ATOM 242 CG ASP A 18 29.151 6.153 22.577 1.00 0.00 C ATOM 243 OD1 ASP A 18 28.437 5.184 22.907 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.384 6.194 22.771 1.00 0.00 O ATOM 0 H ASP A 18 26.717 6.727 23.520 1.00 0.00 H new ATOM 0 HA ASP A 18 28.730 8.738 23.520 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.688 6.988 21.255 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.214 7.848 21.271 1.00 0.00 H new ATOM 249 N GLN A 19 28.043 10.283 21.473 1.00 0.00 N ATOM 250 CA GLN A 19 27.524 11.424 20.728 1.00 0.00 C ATOM 251 C GLN A 19 26.371 11.004 19.823 1.00 0.00 C ATOM 252 O GLN A 19 25.443 11.777 19.582 1.00 0.00 O ATOM 253 CB GLN A 19 28.636 12.063 19.894 1.00 0.00 C ATOM 254 CG GLN A 19 29.535 12.994 20.690 1.00 0.00 C ATOM 255 CD GLN A 19 30.146 12.320 21.903 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.017 11.459 21.775 1.00 0.00 O ATOM 257 NE2 GLN A 19 29.692 12.709 23.089 1.00 0.00 N ATOM 0 H GLN A 19 29.052 10.154 21.398 1.00 0.00 H new ATOM 0 HA GLN A 19 27.151 12.155 21.445 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.245 11.275 19.451 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.187 12.620 19.071 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.332 13.363 20.044 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.959 13.861 21.013 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.969 13.426 23.148 1.00 0.00 H new ATOM 0 HE22 GLN A 19 30.066 12.291 23.941 1.00 0.00 H new ATOM 266 N PHE A 20 26.435 9.774 19.323 1.00 0.00 N ATOM 267 CA PHE A 20 25.396 9.251 18.443 1.00 0.00 C ATOM 268 C PHE A 20 24.535 8.222 19.169 1.00 0.00 C ATOM 269 O PHE A 20 25.050 7.316 19.823 1.00 0.00 O ATOM 270 CB PHE A 20 26.022 8.622 17.198 1.00 0.00 C ATOM 271 CG PHE A 20 26.976 7.503 17.507 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.315 7.764 17.751 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.534 6.191 17.553 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.195 6.737 18.035 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.409 5.159 17.836 1.00 0.00 C ATOM 276 CZ PHE A 20 28.741 5.433 18.079 1.00 0.00 C ATOM 0 H PHE A 20 27.195 9.121 19.512 1.00 0.00 H new ATOM 0 HA PHE A 20 24.759 10.082 18.140 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.228 8.245 16.553 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.549 9.394 16.637 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.675 8.782 17.719 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.493 5.972 17.366 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.236 6.954 18.222 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.052 4.140 17.867 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.426 4.629 18.303 1.00 0.00 H new ATOM 286 N GLY A 21 23.219 8.369 19.050 1.00 0.00 N ATOM 287 CA GLY A 21 22.307 7.446 19.700 1.00 0.00 C ATOM 288 C GLY A 21 21.261 6.899 18.750 1.00 0.00 C ATOM 289 O GLY A 21 21.119 7.382 17.626 1.00 0.00 O ATOM 0 H GLY A 21 22.768 9.111 18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.875 6.619 20.126 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.812 7.952 20.528 1.00 0.00 H new ATOM 293 N PHE A 22 20.528 5.886 19.199 1.00 0.00 N ATOM 294 CA PHE A 22 19.491 5.269 18.380 1.00 0.00 C ATOM 295 C PHE A 22 18.128 5.376 19.056 1.00 0.00 C ATOM 296 O PHE A 22 18.017 5.249 20.276 1.00 0.00 O ATOM 297 CB PHE A 22 19.827 3.801 18.114 1.00 0.00 C ATOM 298 CG PHE A 22 21.018 3.611 17.218 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.302 3.629 17.739 1.00 0.00 C ATOM 300 CD2 PHE A 22 20.854 3.416 15.857 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.401 3.454 16.918 1.00 0.00 C ATOM 302 CE2 PHE A 22 21.948 3.240 15.031 1.00 0.00 C ATOM 303 CZ PHE A 22 23.223 3.261 15.562 1.00 0.00 C ATOM 0 H PHE A 22 20.633 5.474 20.126 1.00 0.00 H new ATOM 0 HA PHE A 22 19.449 5.802 17.430 1.00 0.00 H new ATOM 0 HB2 PHE A 22 20.014 3.301 19.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.962 3.315 17.663 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.446 3.781 18.798 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.860 3.401 15.436 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.397 3.468 17.336 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.806 3.086 13.971 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.079 3.127 14.918 1.00 0.00 H new ATOM 313 N ILE A 23 17.093 5.611 18.256 1.00 0.00 N ATOM 314 CA ILE A 23 15.738 5.734 18.777 1.00 0.00 C ATOM 315 C ILE A 23 14.890 4.525 18.397 1.00 0.00 C ATOM 316 O ILE A 23 15.060 3.948 17.323 1.00 0.00 O ATOM 317 CB ILE A 23 15.050 7.011 18.260 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.939 8.232 18.507 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.696 7.192 18.929 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.370 9.518 17.951 1.00 0.00 C ATOM 0 H ILE A 23 17.168 5.720 17.245 1.00 0.00 H new ATOM 0 HA ILE A 23 15.822 5.789 19.862 1.00 0.00 H new ATOM 0 HB ILE A 23 14.892 6.911 17.186 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.094 8.347 19.580 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.918 8.055 18.061 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.223 8.099 18.553 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.063 6.333 18.707 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.831 7.274 20.008 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.053 10.340 18.163 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.241 9.423 16.873 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.405 9.720 18.415 1.00 0.00 H new ATOM 332 N ASN A 24 13.976 4.146 19.284 1.00 0.00 N ATOM 333 CA ASN A 24 13.101 3.006 19.041 1.00 0.00 C ATOM 334 C ASN A 24 11.958 3.387 18.105 1.00 0.00 C ATOM 335 O ASN A 24 10.810 3.518 18.532 1.00 0.00 O ATOM 336 CB ASN A 24 12.538 2.477 20.362 1.00 0.00 C ATOM 337 CG ASN A 24 13.566 1.692 21.155 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.205 0.780 20.632 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.728 2.045 22.425 1.00 0.00 N ATOM 0 H ASN A 24 13.822 4.612 20.178 1.00 0.00 H new ATOM 0 HA ASN A 24 13.691 2.222 18.565 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.181 3.314 20.963 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.677 1.841 20.158 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.405 1.553 23.009 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.176 2.808 22.817 1.00 0.00 H new ATOM 346 N TYR A 25 12.279 3.563 16.829 1.00 0.00 N ATOM 347 CA TYR A 25 11.280 3.931 15.832 1.00 0.00 C ATOM 348 C TYR A 25 11.737 3.537 14.431 1.00 0.00 C ATOM 349 O TYR A 25 12.842 3.875 14.009 1.00 0.00 O ATOM 350 CB TYR A 25 11.005 5.435 15.887 1.00 0.00 C ATOM 351 CG TYR A 25 9.717 5.840 15.207 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.493 5.348 15.644 1.00 0.00 C ATOM 353 CD2 TYR A 25 9.723 6.713 14.126 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.314 5.714 15.025 1.00 0.00 C ATOM 355 CE2 TYR A 25 8.548 7.087 13.503 1.00 0.00 C ATOM 356 CZ TYR A 25 7.346 6.584 13.956 1.00 0.00 C ATOM 357 OH TYR A 25 6.174 6.952 13.336 1.00 0.00 O ATOM 0 H TYR A 25 13.224 3.457 16.460 1.00 0.00 H new ATOM 0 HA TYR A 25 10.361 3.391 16.059 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.971 5.752 16.929 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.835 5.965 15.420 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.463 4.668 16.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.663 7.106 13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.372 5.321 15.377 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.570 7.769 12.666 1.00 0.00 H new ATOM 0 HH TYR A 25 5.441 6.937 13.986 1.00 0.00 H new ATOM 367 N GLU A 26 10.877 2.820 13.715 1.00 0.00 N ATOM 368 CA GLU A 26 11.191 2.378 12.362 1.00 0.00 C ATOM 369 C GLU A 26 10.415 3.192 11.330 1.00 0.00 C ATOM 370 O GLU A 26 9.185 3.148 11.286 1.00 0.00 O ATOM 371 CB GLU A 26 10.873 0.891 12.199 1.00 0.00 C ATOM 372 CG GLU A 26 11.049 0.382 10.778 1.00 0.00 C ATOM 373 CD GLU A 26 11.240 -1.121 10.716 1.00 0.00 C ATOM 374 OE1 GLU A 26 10.793 -1.814 11.653 1.00 0.00 O ATOM 375 OE2 GLU A 26 11.837 -1.603 9.731 1.00 0.00 O ATOM 0 H GLU A 26 9.957 2.533 14.050 1.00 0.00 H new ATOM 0 HA GLU A 26 12.257 2.533 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.517 0.316 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.846 0.711 12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.176 0.658 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.910 0.873 10.324 1.00 0.00 H new ATOM 382 N VAL A 27 11.142 3.934 10.501 1.00 0.00 N ATOM 383 CA VAL A 27 10.522 4.757 9.469 1.00 0.00 C ATOM 384 C VAL A 27 10.858 4.237 8.076 1.00 0.00 C ATOM 385 O VAL A 27 10.865 4.992 7.105 1.00 0.00 O ATOM 386 CB VAL A 27 10.972 6.226 9.578 1.00 0.00 C ATOM 387 CG1 VAL A 27 10.537 6.821 10.909 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.479 6.336 9.404 1.00 0.00 C ATOM 0 H VAL A 27 12.161 3.982 10.524 1.00 0.00 H new ATOM 0 HA VAL A 27 9.445 4.702 9.625 1.00 0.00 H new ATOM 0 HB VAL A 27 10.494 6.794 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.864 7.859 10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.451 6.777 10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.984 6.253 11.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.779 7.381 9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.978 5.755 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.761 5.951 8.424 1.00 0.00 H new ATOM 398 N GLY A 28 11.135 2.939 7.986 1.00 0.00 N ATOM 399 CA GLY A 28 11.467 2.339 6.707 1.00 0.00 C ATOM 400 C GLY A 28 11.935 0.904 6.845 1.00 0.00 C ATOM 401 O GLY A 28 11.133 0.003 7.089 1.00 0.00 O ATOM 0 H GLY A 28 11.135 2.293 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.594 2.372 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.247 2.928 6.224 1.00 0.00 H new ATOM 405 N ASP A 29 13.237 0.690 6.686 1.00 0.00 N ATOM 406 CA ASP A 29 13.811 -0.646 6.793 1.00 0.00 C ATOM 407 C ASP A 29 14.536 -0.821 8.124 1.00 0.00 C ATOM 408 O ASP A 29 14.499 -1.894 8.726 1.00 0.00 O ATOM 409 CB ASP A 29 14.776 -0.904 5.635 1.00 0.00 C ATOM 410 CG ASP A 29 15.110 -2.374 5.477 1.00 0.00 C ATOM 411 OD1 ASP A 29 14.205 -3.212 5.668 1.00 0.00 O ATOM 412 OD2 ASP A 29 16.278 -2.687 5.163 1.00 0.00 O ATOM 0 H ASP A 29 13.914 1.425 6.483 1.00 0.00 H new ATOM 0 HA ASP A 29 12.997 -1.369 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.336 -0.533 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.695 -0.341 5.799 1.00 0.00 H new ATOM 417 N SER A 30 15.195 0.241 8.577 1.00 0.00 N ATOM 418 CA SER A 30 15.933 0.203 9.834 1.00 0.00 C ATOM 419 C SER A 30 14.982 0.282 11.025 1.00 0.00 C ATOM 420 O SER A 30 14.215 1.235 11.161 1.00 0.00 O ATOM 421 CB SER A 30 16.939 1.355 9.894 1.00 0.00 C ATOM 422 OG SER A 30 17.550 1.564 8.633 1.00 0.00 O ATOM 0 H SER A 30 15.233 1.138 8.092 1.00 0.00 H new ATOM 0 HA SER A 30 16.471 -0.744 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.434 2.267 10.213 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.703 1.136 10.640 1.00 0.00 H new ATOM 0 HG SER A 30 18.187 2.306 8.697 1.00 0.00 H new ATOM 428 N LYS A 31 15.038 -0.729 11.885 1.00 0.00 N ATOM 429 CA LYS A 31 14.184 -0.777 13.066 1.00 0.00 C ATOM 430 C LYS A 31 14.359 0.478 13.916 1.00 0.00 C ATOM 431 O LYS A 31 13.382 1.114 14.311 1.00 0.00 O ATOM 432 CB LYS A 31 14.502 -2.019 13.901 1.00 0.00 C ATOM 433 CG LYS A 31 14.077 -3.320 13.242 1.00 0.00 C ATOM 434 CD LYS A 31 14.330 -4.513 14.149 1.00 0.00 C ATOM 435 CE LYS A 31 15.766 -5.002 14.039 1.00 0.00 C ATOM 436 NZ LYS A 31 15.947 -5.938 12.895 1.00 0.00 N ATOM 0 H LYS A 31 15.666 -1.527 11.786 1.00 0.00 H new ATOM 0 HA LYS A 31 13.148 -0.827 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.574 -2.052 14.094 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.007 -1.933 14.868 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.018 -3.272 12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.622 -3.450 12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.116 -4.238 15.182 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.648 -5.322 13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.432 -4.148 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.052 -5.501 14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.939 -6.249 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.330 -6.765 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.699 -5.455 12.008 1.00 0.00 H new ATOM 450 N LYS A 32 15.610 0.830 14.191 1.00 0.00 N ATOM 451 CA LYS A 32 15.914 2.011 14.991 1.00 0.00 C ATOM 452 C LYS A 32 16.304 3.186 14.100 1.00 0.00 C ATOM 453 O LYS A 32 16.588 3.012 12.915 1.00 0.00 O ATOM 454 CB LYS A 32 17.045 1.707 15.977 1.00 0.00 C ATOM 455 CG LYS A 32 16.559 1.180 17.316 1.00 0.00 C ATOM 456 CD LYS A 32 16.502 -0.338 17.331 1.00 0.00 C ATOM 457 CE LYS A 32 15.109 -0.847 16.992 1.00 0.00 C ATOM 458 NZ LYS A 32 14.265 -1.004 18.209 1.00 0.00 N ATOM 0 H LYS A 32 16.430 0.314 13.872 1.00 0.00 H new ATOM 0 HA LYS A 32 15.017 2.282 15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.718 0.975 15.531 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.625 2.615 16.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.223 1.528 18.107 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.569 1.584 17.530 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.221 -0.737 16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.795 -0.704 18.315 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.627 -0.154 16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.187 -1.805 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.261 -0.984 17.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.482 -1.912 18.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.462 -0.226 18.871 1.00 0.00 H new ATOM 472 N LEU A 33 16.318 4.382 14.679 1.00 0.00 N ATOM 473 CA LEU A 33 16.675 5.586 13.937 1.00 0.00 C ATOM 474 C LEU A 33 18.097 6.027 14.268 1.00 0.00 C ATOM 475 O LEU A 33 18.685 5.578 15.252 1.00 0.00 O ATOM 476 CB LEU A 33 15.692 6.714 14.254 1.00 0.00 C ATOM 477 CG LEU A 33 15.520 7.779 13.170 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.016 7.151 11.880 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.569 8.870 13.641 1.00 0.00 C ATOM 0 H LEU A 33 16.086 4.544 15.659 1.00 0.00 H new ATOM 0 HA LEU A 33 16.624 5.356 12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.717 6.272 14.459 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.018 7.206 15.170 1.00 0.00 H new ATOM 0 HG LEU A 33 16.492 8.231 12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.900 7.924 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.733 6.407 11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.054 6.672 12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.458 9.619 12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.596 8.433 13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.971 9.340 14.539 1.00 0.00 H new ATOM 491 N PHE A 34 18.644 6.911 13.440 1.00 0.00 N ATOM 492 CA PHE A 34 19.998 7.415 13.646 1.00 0.00 C ATOM 493 C PHE A 34 20.008 8.940 13.703 1.00 0.00 C ATOM 494 O PHE A 34 19.493 9.609 12.807 1.00 0.00 O ATOM 495 CB PHE A 34 20.921 6.929 12.526 1.00 0.00 C ATOM 496 CG PHE A 34 22.310 7.493 12.607 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.097 7.273 13.726 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.829 8.245 11.565 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.377 7.790 13.804 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.108 8.765 11.638 1.00 0.00 C ATOM 501 CZ PHE A 34 24.882 8.538 12.759 1.00 0.00 C ATOM 0 H PHE A 34 18.172 7.293 12.621 1.00 0.00 H new ATOM 0 HA PHE A 34 20.361 7.031 14.599 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.977 5.841 12.559 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.484 7.197 11.564 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.706 6.691 14.547 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.228 8.427 10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.981 7.609 14.681 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.502 9.348 10.819 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.881 8.945 12.818 1.00 0.00 H new ATOM 511 N PHE A 35 20.597 9.482 14.763 1.00 0.00 N ATOM 512 CA PHE A 35 20.674 10.927 14.940 1.00 0.00 C ATOM 513 C PHE A 35 21.930 11.315 15.715 1.00 0.00 C ATOM 514 O PHE A 35 22.442 10.536 16.518 1.00 0.00 O ATOM 515 CB PHE A 35 19.431 11.440 15.671 1.00 0.00 C ATOM 516 CG PHE A 35 19.401 11.076 17.128 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.083 9.788 17.528 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.689 12.023 18.098 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.054 9.450 18.868 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.662 11.691 19.439 1.00 0.00 C ATOM 521 CZ PHE A 35 19.344 10.403 19.825 1.00 0.00 C ATOM 0 H PHE A 35 21.028 8.942 15.513 1.00 0.00 H new ATOM 0 HA PHE A 35 20.722 11.386 13.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.384 12.525 15.574 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.542 11.038 15.186 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.855 9.039 16.784 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.937 13.032 17.802 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.805 8.442 19.166 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.889 12.438 20.185 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.322 10.142 20.873 1.00 0.00 H new ATOM 531 N HIS A 36 22.421 12.525 15.466 1.00 0.00 N ATOM 532 CA HIS A 36 23.617 13.018 16.140 1.00 0.00 C ATOM 533 C HIS A 36 23.272 14.153 17.099 1.00 0.00 C ATOM 534 O HIS A 36 22.203 14.756 17.004 1.00 0.00 O ATOM 535 CB HIS A 36 24.646 13.495 15.115 1.00 0.00 C ATOM 536 CG HIS A 36 26.026 13.649 15.677 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.638 14.873 15.843 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.911 12.724 16.115 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.842 14.694 16.357 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.032 13.399 16.532 1.00 0.00 N ATOM 0 H HIS A 36 22.009 13.182 14.803 1.00 0.00 H new ATOM 0 HA HIS A 36 24.043 12.197 16.716 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.677 12.787 14.287 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.321 14.451 14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.763 11.654 16.133 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.550 15.474 16.594 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.874 12.970 16.915 1.00 0.00 H new ATOM 548 N VAL A 37 24.184 14.439 18.023 1.00 0.00 N ATOM 549 CA VAL A 37 23.977 15.502 18.999 1.00 0.00 C ATOM 550 C VAL A 37 23.682 16.831 18.310 1.00 0.00 C ATOM 551 O VAL A 37 23.037 17.710 18.882 1.00 0.00 O ATOM 552 CB VAL A 37 25.204 15.672 19.914 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.291 14.525 20.908 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.476 15.769 19.085 1.00 0.00 C ATOM 0 H VAL A 37 25.074 13.949 18.116 1.00 0.00 H new ATOM 0 HA VAL A 37 23.119 15.212 19.605 1.00 0.00 H new ATOM 0 HB VAL A 37 25.092 16.599 20.476 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.164 14.662 21.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.391 14.507 21.523 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.380 13.582 20.369 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.334 15.889 19.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.597 14.860 18.496 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.410 16.628 18.417 1.00 0.00 H new ATOM 564 N LYS A 38 24.159 16.970 17.078 1.00 0.00 N ATOM 565 CA LYS A 38 23.947 18.190 16.308 1.00 0.00 C ATOM 566 C LYS A 38 22.464 18.398 16.017 1.00 0.00 C ATOM 567 O LYS A 38 21.989 19.531 15.946 1.00 0.00 O ATOM 568 CB LYS A 38 24.732 18.133 14.996 1.00 0.00 C ATOM 569 CG LYS A 38 24.148 17.169 13.979 1.00 0.00 C ATOM 570 CD LYS A 38 25.218 16.629 13.044 1.00 0.00 C ATOM 571 CE LYS A 38 25.767 17.718 12.137 1.00 0.00 C ATOM 572 NZ LYS A 38 24.730 18.238 11.203 1.00 0.00 N ATOM 0 H LYS A 38 24.696 16.252 16.591 1.00 0.00 H new ATOM 0 HA LYS A 38 24.305 19.031 16.901 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.767 19.131 14.560 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.761 17.843 15.210 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.665 16.341 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.377 17.675 13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.030 16.198 13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.801 15.825 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 38 26.152 18.537 12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.607 17.324 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.188 18.782 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.204 17.442 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.073 18.854 11.722 1.00 0.00 H new ATOM 586 N GLU A 39 21.738 17.297 15.849 1.00 0.00 N ATOM 587 CA GLU A 39 20.309 17.360 15.566 1.00 0.00 C ATOM 588 C GLU A 39 19.559 18.044 16.705 1.00 0.00 C ATOM 589 O GLU A 39 18.943 19.094 16.516 1.00 0.00 O ATOM 590 CB GLU A 39 19.748 15.955 15.343 1.00 0.00 C ATOM 591 CG GLU A 39 20.502 15.158 14.292 1.00 0.00 C ATOM 592 CD GLU A 39 20.527 15.849 12.942 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.689 16.747 12.721 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.384 15.491 12.108 1.00 0.00 O ATOM 0 H GLU A 39 22.116 16.351 15.904 1.00 0.00 H new ATOM 0 HA GLU A 39 20.170 17.947 14.658 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.772 15.410 16.286 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.702 16.033 15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.525 14.994 14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.040 14.177 14.185 1.00 0.00 H new ATOM 601 N VAL A 40 19.613 17.441 17.889 1.00 0.00 N ATOM 602 CA VAL A 40 18.940 17.992 19.059 1.00 0.00 C ATOM 603 C VAL A 40 19.346 19.442 19.295 1.00 0.00 C ATOM 604 O VAL A 40 20.505 19.810 19.109 1.00 0.00 O ATOM 605 CB VAL A 40 19.252 17.170 20.324 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.753 17.111 20.565 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.532 17.755 21.530 1.00 0.00 C ATOM 0 H VAL A 40 20.116 16.571 18.063 1.00 0.00 H new ATOM 0 HA VAL A 40 17.869 17.946 18.859 1.00 0.00 H new ATOM 0 HB VAL A 40 18.892 16.152 20.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.955 16.526 21.463 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.241 16.643 19.710 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.141 18.121 20.695 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.764 17.162 22.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.860 18.783 21.686 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.456 17.740 21.354 1.00 0.00 H new ATOM 617 N GLN A 41 18.383 20.260 19.707 1.00 0.00 N ATOM 618 CA GLN A 41 18.640 21.671 19.969 1.00 0.00 C ATOM 619 C GLN A 41 17.978 22.114 21.269 1.00 0.00 C ATOM 620 O GLN A 41 17.431 21.295 22.008 1.00 0.00 O ATOM 621 CB GLN A 41 18.133 22.528 18.807 1.00 0.00 C ATOM 622 CG GLN A 41 18.720 22.137 17.461 1.00 0.00 C ATOM 623 CD GLN A 41 18.596 23.240 16.428 1.00 0.00 C ATOM 624 OE1 GLN A 41 18.450 24.414 16.770 1.00 0.00 O ATOM 625 NE2 GLN A 41 18.653 22.868 15.155 1.00 0.00 N ATOM 0 H GLN A 41 17.418 19.970 19.866 1.00 0.00 H new ATOM 0 HA GLN A 41 19.717 21.805 20.068 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.047 22.451 18.756 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.369 23.573 19.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.772 21.880 17.588 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.216 21.243 17.095 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.775 21.884 14.916 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.575 23.566 14.416 1.00 0.00 H new ATOM 634 N ASP A 42 18.032 23.412 21.543 1.00 0.00 N ATOM 635 CA ASP A 42 17.436 23.964 22.755 1.00 0.00 C ATOM 636 C ASP A 42 18.124 23.410 23.999 1.00 0.00 C ATOM 637 O ASP A 42 17.547 23.396 25.085 1.00 0.00 O ATOM 638 CB ASP A 42 15.940 23.650 22.802 1.00 0.00 C ATOM 639 CG ASP A 42 15.135 24.762 23.446 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.599 25.317 24.465 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.043 25.078 22.931 1.00 0.00 O ATOM 0 H ASP A 42 18.482 24.103 20.943 1.00 0.00 H new ATOM 0 HA ASP A 42 17.572 25.045 22.737 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.575 23.481 21.789 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.783 22.724 23.356 1.00 0.00 H new ATOM 646 N GLY A 43 19.361 22.952 23.831 1.00 0.00 N ATOM 647 CA GLY A 43 20.107 22.402 24.948 1.00 0.00 C ATOM 648 C GLY A 43 19.333 21.331 25.690 1.00 0.00 C ATOM 649 O GLY A 43 18.788 21.582 26.766 1.00 0.00 O ATOM 0 H GLY A 43 19.860 22.952 22.941 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.044 21.982 24.583 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.365 23.204 25.639 1.00 0.00 H new ATOM 653 N ILE A 44 19.282 20.134 25.114 1.00 0.00 N ATOM 654 CA ILE A 44 18.568 19.022 25.728 1.00 0.00 C ATOM 655 C ILE A 44 19.453 17.783 25.817 1.00 0.00 C ATOM 656 O ILE A 44 20.318 17.565 24.970 1.00 0.00 O ATOM 657 CB ILE A 44 17.290 18.671 24.944 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.456 19.930 24.695 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.475 17.630 25.696 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.928 20.565 25.962 1.00 0.00 C ATOM 0 H ILE A 44 19.727 19.910 24.224 1.00 0.00 H new ATOM 0 HA ILE A 44 18.291 19.341 26.733 1.00 0.00 H new ATOM 0 HB ILE A 44 17.578 18.251 23.980 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.064 20.659 24.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.616 19.678 24.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.575 17.393 25.128 1.00 0.00 H new ATOM 0 HG22 ILE A 44 17.070 16.726 25.826 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.195 18.024 26.673 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.347 21.452 25.710 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.293 19.853 26.489 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.763 20.849 26.602 1.00 0.00 H new ATOM 672 N GLU A 45 19.228 16.974 26.848 1.00 0.00 N ATOM 673 CA GLU A 45 20.004 15.756 27.046 1.00 0.00 C ATOM 674 C GLU A 45 19.116 14.520 26.937 1.00 0.00 C ATOM 675 O GLU A 45 18.636 13.996 27.943 1.00 0.00 O ATOM 676 CB GLU A 45 20.696 15.782 28.410 1.00 0.00 C ATOM 677 CG GLU A 45 22.029 16.511 28.403 1.00 0.00 C ATOM 678 CD GLU A 45 23.083 15.792 27.584 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.483 14.677 27.981 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.508 16.343 26.548 1.00 0.00 O ATOM 0 H GLU A 45 18.515 17.140 27.558 1.00 0.00 H new ATOM 0 HA GLU A 45 20.761 15.707 26.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.035 16.258 29.134 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.854 14.758 28.748 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.887 17.516 28.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.384 16.622 29.428 1.00 0.00 H new ATOM 687 N LEU A 46 18.900 14.060 25.710 1.00 0.00 N ATOM 688 CA LEU A 46 18.068 12.886 25.468 1.00 0.00 C ATOM 689 C LEU A 46 18.580 11.685 26.256 1.00 0.00 C ATOM 690 O LEU A 46 19.770 11.372 26.225 1.00 0.00 O ATOM 691 CB LEU A 46 18.039 12.556 23.975 1.00 0.00 C ATOM 692 CG LEU A 46 17.734 13.724 23.035 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.710 13.253 21.589 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.411 14.376 23.408 1.00 0.00 C ATOM 0 H LEU A 46 19.289 14.482 24.867 1.00 0.00 H new ATOM 0 HA LEU A 46 17.056 13.113 25.803 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.005 12.135 23.697 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.293 11.778 23.810 1.00 0.00 H new ATOM 0 HG LEU A 46 18.525 14.467 23.140 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.492 14.097 20.935 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.681 12.833 21.327 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.940 12.491 21.467 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.210 15.205 22.729 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.609 13.642 23.332 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.465 14.749 24.431 1.00 0.00 H new ATOM 706 N GLN A 47 17.673 11.015 26.960 1.00 0.00 N ATOM 707 CA GLN A 47 18.033 9.847 27.755 1.00 0.00 C ATOM 708 C GLN A 47 17.152 8.654 27.400 1.00 0.00 C ATOM 709 O GLN A 47 16.219 8.774 26.606 1.00 0.00 O ATOM 710 CB GLN A 47 17.911 10.161 29.247 1.00 0.00 C ATOM 711 CG GLN A 47 18.999 11.088 29.765 1.00 0.00 C ATOM 712 CD GLN A 47 18.935 11.280 31.267 1.00 0.00 C ATOM 713 OE1 GLN A 47 19.950 11.190 31.959 1.00 0.00 O ATOM 714 NE2 GLN A 47 17.740 11.546 31.780 1.00 0.00 N ATOM 0 H GLN A 47 16.684 11.261 26.996 1.00 0.00 H new ATOM 0 HA GLN A 47 19.068 9.591 27.529 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.938 10.615 29.436 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.942 9.228 29.810 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.975 10.683 29.495 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.909 12.057 29.274 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.926 11.611 31.169 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.636 11.685 32.785 1.00 0.00 H new ATOM 723 N ALA A 48 17.454 7.504 27.994 1.00 0.00 N ATOM 724 CA ALA A 48 16.687 6.290 27.741 1.00 0.00 C ATOM 725 C ALA A 48 15.261 6.423 28.264 1.00 0.00 C ATOM 726 O ALA A 48 15.039 6.542 29.468 1.00 0.00 O ATOM 727 CB ALA A 48 17.375 5.091 28.376 1.00 0.00 C ATOM 0 H ALA A 48 18.224 7.387 28.653 1.00 0.00 H new ATOM 0 HA ALA A 48 16.637 6.138 26.663 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.792 4.191 28.180 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.373 4.977 27.952 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.454 5.245 29.452 1.00 0.00 H new ATOM 733 N GLY A 49 14.296 6.401 27.350 1.00 0.00 N ATOM 734 CA GLY A 49 12.903 6.521 27.738 1.00 0.00 C ATOM 735 C GLY A 49 12.374 7.932 27.572 1.00 0.00 C ATOM 736 O GLY A 49 11.323 8.276 28.114 1.00 0.00 O ATOM 0 H GLY A 49 14.454 6.302 26.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.302 5.838 27.138 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.791 6.214 28.778 1.00 0.00 H new ATOM 740 N ASP A 50 13.103 8.751 26.823 1.00 0.00 N ATOM 741 CA ASP A 50 12.702 10.133 26.588 1.00 0.00 C ATOM 742 C ASP A 50 11.985 10.270 25.249 1.00 0.00 C ATOM 743 O ASP A 50 12.575 10.047 24.192 1.00 0.00 O ATOM 744 CB ASP A 50 13.922 11.054 26.624 1.00 0.00 C ATOM 745 CG ASP A 50 14.335 11.414 28.038 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.837 10.767 28.983 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.155 12.342 28.199 1.00 0.00 O ATOM 0 H ASP A 50 13.975 8.482 26.368 1.00 0.00 H new ATOM 0 HA ASP A 50 12.013 10.425 27.380 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.756 10.567 26.118 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.701 11.966 26.070 1.00 0.00 H new ATOM 752 N GLU A 51 10.708 10.638 25.301 1.00 0.00 N ATOM 753 CA GLU A 51 9.911 10.803 24.091 1.00 0.00 C ATOM 754 C GLU A 51 10.189 12.153 23.436 1.00 0.00 C ATOM 755 O GLU A 51 10.035 13.202 24.062 1.00 0.00 O ATOM 756 CB GLU A 51 8.421 10.677 24.415 1.00 0.00 C ATOM 757 CG GLU A 51 7.580 10.209 23.240 1.00 0.00 C ATOM 758 CD GLU A 51 6.165 9.844 23.643 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.966 9.441 24.809 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.256 9.960 22.795 1.00 0.00 O ATOM 0 H GLU A 51 10.204 10.827 26.167 1.00 0.00 H new ATOM 0 HA GLU A 51 10.191 10.016 23.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.296 9.978 25.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.049 11.643 24.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.547 10.995 22.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.057 9.344 22.779 1.00 0.00 H new ATOM 767 N VAL A 52 10.599 12.118 22.172 1.00 0.00 N ATOM 768 CA VAL A 52 10.898 13.337 21.431 1.00 0.00 C ATOM 769 C VAL A 52 10.228 13.326 20.062 1.00 0.00 C ATOM 770 O VAL A 52 9.994 12.265 19.484 1.00 0.00 O ATOM 771 CB VAL A 52 12.415 13.524 21.247 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.114 13.580 22.597 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.988 12.409 20.386 1.00 0.00 C ATOM 0 H VAL A 52 10.732 11.258 21.640 1.00 0.00 H new ATOM 0 HA VAL A 52 10.506 14.168 22.017 1.00 0.00 H new ATOM 0 HB VAL A 52 12.588 14.471 20.736 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.185 13.712 22.447 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.722 14.417 23.175 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.936 12.651 23.138 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.061 12.557 20.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.806 11.448 20.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.508 12.422 19.407 1.00 0.00 H new ATOM 783 N GLU A 53 9.923 14.514 19.548 1.00 0.00 N ATOM 784 CA GLU A 53 9.279 14.640 18.246 1.00 0.00 C ATOM 785 C GLU A 53 10.273 15.121 17.193 1.00 0.00 C ATOM 786 O GLU A 53 10.822 16.218 17.296 1.00 0.00 O ATOM 787 CB GLU A 53 8.097 15.608 18.328 1.00 0.00 C ATOM 788 CG GLU A 53 7.230 15.617 17.080 1.00 0.00 C ATOM 789 CD GLU A 53 6.219 16.746 17.081 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.524 17.815 17.650 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.122 16.562 16.513 1.00 0.00 O ATOM 0 H GLU A 53 10.112 15.402 20.013 1.00 0.00 H new ATOM 0 HA GLU A 53 8.913 13.656 17.953 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.480 15.343 19.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.475 16.615 18.505 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.867 15.706 16.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.706 14.665 16.999 1.00 0.00 H new ATOM 798 N PHE A 54 10.500 14.291 16.179 1.00 0.00 N ATOM 799 CA PHE A 54 11.429 14.630 15.107 1.00 0.00 C ATOM 800 C PHE A 54 10.751 14.516 13.745 1.00 0.00 C ATOM 801 O PHE A 54 9.703 13.884 13.611 1.00 0.00 O ATOM 802 CB PHE A 54 12.655 13.717 15.158 1.00 0.00 C ATOM 803 CG PHE A 54 12.311 12.258 15.255 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.896 11.554 14.136 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.404 11.589 16.465 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.579 10.211 14.221 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.089 10.247 16.557 1.00 0.00 C ATOM 808 CZ PHE A 54 11.675 9.557 15.434 1.00 0.00 C ATOM 0 H PHE A 54 10.053 13.380 16.078 1.00 0.00 H new ATOM 0 HA PHE A 54 11.748 15.662 15.249 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.258 13.881 14.265 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.270 13.995 16.014 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.819 12.061 13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.727 12.123 17.347 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.257 9.674 13.341 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.166 9.738 17.506 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.427 8.508 15.504 1.00 0.00 H new ATOM 818 N SER A 55 11.358 15.133 12.736 1.00 0.00 N ATOM 819 CA SER A 55 10.812 15.105 11.384 1.00 0.00 C ATOM 820 C SER A 55 11.542 14.078 10.524 1.00 0.00 C ATOM 821 O SER A 55 12.772 14.055 10.474 1.00 0.00 O ATOM 822 CB SER A 55 10.913 16.490 10.741 1.00 0.00 C ATOM 823 OG SER A 55 12.147 17.111 11.060 1.00 0.00 O ATOM 0 H SER A 55 12.228 15.658 12.829 1.00 0.00 H new ATOM 0 HA SER A 55 9.762 14.818 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.816 16.400 9.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.088 17.115 11.084 1.00 0.00 H new ATOM 0 HG SER A 55 12.188 17.994 10.636 1.00 0.00 H new ATOM 829 N VAL A 56 10.775 13.229 9.847 1.00 0.00 N ATOM 830 CA VAL A 56 11.348 12.200 8.988 1.00 0.00 C ATOM 831 C VAL A 56 11.940 12.808 7.722 1.00 0.00 C ATOM 832 O VAL A 56 11.211 13.230 6.824 1.00 0.00 O ATOM 833 CB VAL A 56 10.294 11.147 8.595 1.00 0.00 C ATOM 834 CG1 VAL A 56 10.905 10.096 7.681 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.695 10.504 9.836 1.00 0.00 C ATOM 0 H VAL A 56 9.755 13.234 9.877 1.00 0.00 H new ATOM 0 HA VAL A 56 12.140 11.715 9.559 1.00 0.00 H new ATOM 0 HB VAL A 56 9.492 11.646 8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.146 9.361 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.281 10.574 6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.726 9.599 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.953 9.763 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.483 10.018 10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.219 11.270 10.449 1.00 0.00 H new ATOM 845 N ILE A 57 13.267 12.849 7.657 1.00 0.00 N ATOM 846 CA ILE A 57 13.957 13.404 6.499 1.00 0.00 C ATOM 847 C ILE A 57 14.673 12.313 5.711 1.00 0.00 C ATOM 848 O ILE A 57 15.493 11.573 6.257 1.00 0.00 O ATOM 849 CB ILE A 57 14.981 14.477 6.916 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.338 15.484 7.871 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.537 15.183 5.688 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.126 16.179 7.290 1.00 0.00 C ATOM 0 H ILE A 57 13.885 12.505 8.392 1.00 0.00 H new ATOM 0 HA ILE A 57 13.196 13.864 5.868 1.00 0.00 H new ATOM 0 HB ILE A 57 15.806 13.989 7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.047 14.969 8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.079 16.234 8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.259 15.938 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.028 14.456 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.723 15.661 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.722 16.878 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.415 16.722 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.367 15.438 7.039 1.00 0.00 H new ATOM 864 N LEU A 58 14.359 12.219 4.423 1.00 0.00 N ATOM 865 CA LEU A 58 14.974 11.218 3.557 1.00 0.00 C ATOM 866 C LEU A 58 15.854 11.879 2.502 1.00 0.00 C ATOM 867 O LEU A 58 15.384 12.692 1.707 1.00 0.00 O ATOM 868 CB LEU A 58 13.896 10.370 2.880 1.00 0.00 C ATOM 869 CG LEU A 58 14.377 9.437 1.768 1.00 0.00 C ATOM 870 CD1 LEU A 58 13.533 8.173 1.730 1.00 0.00 C ATOM 871 CD2 LEU A 58 14.338 10.147 0.422 1.00 0.00 C ATOM 0 H LEU A 58 13.683 12.823 3.956 1.00 0.00 H new ATOM 0 HA LEU A 58 15.600 10.574 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.402 9.769 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.143 11.039 2.465 1.00 0.00 H new ATOM 0 HG LEU A 58 15.409 9.155 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.890 7.521 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.612 7.654 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.492 8.436 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.684 9.468 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.316 10.459 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.986 11.023 0.454 1.00 0.00 H new ATOM 883 N ASN A 59 17.135 11.522 2.499 1.00 0.00 N ATOM 884 CA ASN A 59 18.081 12.080 1.539 1.00 0.00 C ATOM 885 C ASN A 59 18.044 11.305 0.226 1.00 0.00 C ATOM 886 O ASN A 59 18.719 10.286 0.076 1.00 0.00 O ATOM 887 CB ASN A 59 19.498 12.058 2.118 1.00 0.00 C ATOM 888 CG ASN A 59 20.353 13.196 1.595 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.901 14.006 0.785 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.597 13.262 2.056 1.00 0.00 N ATOM 0 H ASN A 59 17.541 10.850 3.150 1.00 0.00 H new ATOM 0 HA ASN A 59 17.793 13.112 1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.444 12.117 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.973 11.108 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 59 22.219 14.005 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.930 12.569 2.727 1.00 0.00 H new ATOM 897 N GLN A 60 17.253 11.796 -0.723 1.00 0.00 N ATOM 898 CA GLN A 60 17.129 11.149 -2.023 1.00 0.00 C ATOM 899 C GLN A 60 18.500 10.908 -2.645 1.00 0.00 C ATOM 900 O GLN A 60 18.692 9.955 -3.400 1.00 0.00 O ATOM 901 CB GLN A 60 16.273 12.002 -2.961 1.00 0.00 C ATOM 902 CG GLN A 60 14.861 12.237 -2.450 1.00 0.00 C ATOM 903 CD GLN A 60 14.100 13.251 -3.282 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.697 14.061 -3.993 1.00 0.00 O ATOM 905 NE2 GLN A 60 12.776 13.212 -3.199 1.00 0.00 N ATOM 0 H GLN A 60 16.689 12.639 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 60 16.643 10.184 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.761 12.965 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.222 11.516 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.317 11.292 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.905 12.581 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.323 12.524 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.212 13.870 -3.737 1.00 0.00 H new ATOM 914 N ARG A 61 19.451 11.780 -2.324 1.00 0.00 N ATOM 915 CA ARG A 61 20.805 11.663 -2.853 1.00 0.00 C ATOM 916 C ARG A 61 21.415 10.312 -2.491 1.00 0.00 C ATOM 917 O ARG A 61 21.884 9.577 -3.361 1.00 0.00 O ATOM 918 CB ARG A 61 21.684 12.793 -2.314 1.00 0.00 C ATOM 919 CG ARG A 61 23.101 12.778 -2.866 1.00 0.00 C ATOM 920 CD ARG A 61 23.144 13.274 -4.303 1.00 0.00 C ATOM 921 NE ARG A 61 23.199 14.732 -4.377 1.00 0.00 N ATOM 922 CZ ARG A 61 23.180 15.411 -5.518 1.00 0.00 C ATOM 923 NH1 ARG A 61 23.108 14.767 -6.675 1.00 0.00 N ATOM 924 NH2 ARG A 61 23.233 16.737 -5.504 1.00 0.00 N ATOM 0 H ARG A 61 19.309 12.575 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 61 20.753 11.739 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.220 13.749 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.726 12.723 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.741 13.404 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.501 11.765 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.014 12.852 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.263 12.917 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 61 23.255 15.257 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.067 13.748 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 61 23.094 15.291 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.288 17.236 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 61 23.218 17.257 -6.381 1.00 0.00 H new ATOM 938 N THR A 62 21.406 9.991 -1.201 1.00 0.00 N ATOM 939 CA THR A 62 21.960 8.730 -0.723 1.00 0.00 C ATOM 940 C THR A 62 20.906 7.629 -0.732 1.00 0.00 C ATOM 941 O THR A 62 21.020 6.654 -1.474 1.00 0.00 O ATOM 942 CB THR A 62 22.528 8.870 0.701 1.00 0.00 C ATOM 943 OG1 THR A 62 21.537 9.429 1.571 1.00 0.00 O ATOM 944 CG2 THR A 62 23.769 9.751 0.705 1.00 0.00 C ATOM 0 H THR A 62 21.021 10.587 -0.468 1.00 0.00 H new ATOM 0 HA THR A 62 22.768 8.461 -1.403 1.00 0.00 H new ATOM 0 HB THR A 62 22.805 7.878 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.906 9.513 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.152 9.835 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.532 9.308 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.513 10.742 0.331 1.00 0.00 H new ATOM 952 N GLY A 63 19.880 7.791 0.097 1.00 0.00 N ATOM 953 CA GLY A 63 18.820 6.802 0.168 1.00 0.00 C ATOM 954 C GLY A 63 18.623 6.263 1.571 1.00 0.00 C ATOM 955 O GLY A 63 18.226 5.112 1.752 1.00 0.00 O ATOM 0 H GLY A 63 19.764 8.589 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.888 7.247 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.051 5.977 -0.506 1.00 0.00 H new ATOM 959 N LYS A 64 18.903 7.096 2.568 1.00 0.00 N ATOM 960 CA LYS A 64 18.755 6.698 3.962 1.00 0.00 C ATOM 961 C LYS A 64 17.855 7.674 4.714 1.00 0.00 C ATOM 962 O LYS A 64 17.658 8.810 4.281 1.00 0.00 O ATOM 963 CB LYS A 64 20.124 6.623 4.641 1.00 0.00 C ATOM 964 CG LYS A 64 21.124 5.753 3.900 1.00 0.00 C ATOM 965 CD LYS A 64 22.206 5.231 4.830 1.00 0.00 C ATOM 966 CE LYS A 64 21.725 4.025 5.623 1.00 0.00 C ATOM 967 NZ LYS A 64 22.721 3.601 6.646 1.00 0.00 N ATOM 0 H LYS A 64 19.234 8.052 2.436 1.00 0.00 H new ATOM 0 HA LYS A 64 18.291 5.712 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.530 7.630 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.998 6.236 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.605 4.914 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.581 6.328 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.086 4.958 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.510 6.021 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.781 4.265 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.529 3.197 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.356 2.777 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.614 3.347 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.889 4.382 7.311 1.00 0.00 H new ATOM 981 N CYS A 65 17.315 7.225 5.842 1.00 0.00 N ATOM 982 CA CYS A 65 16.437 8.060 6.654 1.00 0.00 C ATOM 983 C CYS A 65 17.170 8.580 7.887 1.00 0.00 C ATOM 984 O CYS A 65 18.123 7.962 8.362 1.00 0.00 O ATOM 985 CB CYS A 65 15.197 7.271 7.078 1.00 0.00 C ATOM 986 SG CYS A 65 14.330 6.469 5.709 1.00 0.00 S ATOM 0 H CYS A 65 17.470 6.288 6.215 1.00 0.00 H new ATOM 0 HA CYS A 65 16.127 8.913 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.493 6.511 7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.507 7.944 7.586 1.00 0.00 H new ATOM 0 HG CYS A 65 13.298 5.825 6.167 1.00 0.00 H new ATOM 992 N SER A 66 16.719 9.721 8.400 1.00 0.00 N ATOM 993 CA SER A 66 17.334 10.327 9.574 1.00 0.00 C ATOM 994 C SER A 66 16.356 11.262 10.279 1.00 0.00 C ATOM 995 O SER A 66 15.262 11.523 9.781 1.00 0.00 O ATOM 996 CB SER A 66 18.595 11.097 9.175 1.00 0.00 C ATOM 997 OG SER A 66 18.284 12.162 8.293 1.00 0.00 O ATOM 0 H SER A 66 15.930 10.244 8.020 1.00 0.00 H new ATOM 0 HA SER A 66 17.607 9.528 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.083 11.490 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.303 10.420 8.697 1.00 0.00 H new ATOM 0 HG SER A 66 19.106 12.640 8.054 1.00 0.00 H new ATOM 1003 N ALA A 67 16.759 11.762 11.442 1.00 0.00 N ATOM 1004 CA ALA A 67 15.920 12.668 12.216 1.00 0.00 C ATOM 1005 C ALA A 67 16.487 14.084 12.207 1.00 0.00 C ATOM 1006 O ALA A 67 17.697 14.277 12.085 1.00 0.00 O ATOM 1007 CB ALA A 67 15.776 12.165 13.644 1.00 0.00 C ATOM 0 H ALA A 67 17.662 11.555 11.869 1.00 0.00 H new ATOM 0 HA ALA A 67 14.934 12.696 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.147 12.852 14.210 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.318 11.176 13.637 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.760 12.106 14.110 1.00 0.00 H new ATOM 1013 N CYS A 68 15.606 15.070 12.335 1.00 0.00 N ATOM 1014 CA CYS A 68 16.020 16.469 12.340 1.00 0.00 C ATOM 1015 C CYS A 68 15.133 17.294 13.266 1.00 0.00 C ATOM 1016 O CYS A 68 13.961 16.977 13.464 1.00 0.00 O ATOM 1017 CB CYS A 68 15.971 17.041 10.922 1.00 0.00 C ATOM 1018 SG CYS A 68 17.103 18.424 10.646 1.00 0.00 S ATOM 0 H CYS A 68 14.601 14.927 12.437 1.00 0.00 H new ATOM 0 HA CYS A 68 17.045 16.519 12.709 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.205 16.247 10.213 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.954 17.370 10.709 1.00 0.00 H new ATOM 0 HG CYS A 68 16.991 18.838 9.419 1.00 0.00 H new ATOM 1024 N ASN A 69 15.701 18.355 13.831 1.00 0.00 N ATOM 1025 CA ASN A 69 14.962 19.225 14.738 1.00 0.00 C ATOM 1026 C ASN A 69 14.369 18.427 15.895 1.00 0.00 C ATOM 1027 O ASN A 69 13.241 18.676 16.321 1.00 0.00 O ATOM 1028 CB ASN A 69 13.849 19.956 13.984 1.00 0.00 C ATOM 1029 CG ASN A 69 14.364 20.685 12.758 1.00 0.00 C ATOM 1030 OD1 ASN A 69 14.912 21.783 12.860 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.189 20.077 11.591 1.00 0.00 N ATOM 0 H ASN A 69 16.670 18.633 13.676 1.00 0.00 H new ATOM 0 HA ASN A 69 15.658 19.959 15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.086 19.238 13.683 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.369 20.670 14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.514 20.520 10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.729 19.167 11.554 1.00 0.00 H new ATOM 1038 N VAL A 70 15.137 17.467 16.400 1.00 0.00 N ATOM 1039 CA VAL A 70 14.689 16.633 17.509 1.00 0.00 C ATOM 1040 C VAL A 70 14.348 17.480 18.730 1.00 0.00 C ATOM 1041 O VAL A 70 15.224 18.100 19.333 1.00 0.00 O ATOM 1042 CB VAL A 70 15.759 15.596 17.900 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.231 14.666 18.981 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.207 14.808 16.678 1.00 0.00 C ATOM 0 H VAL A 70 16.073 17.247 16.059 1.00 0.00 H new ATOM 0 HA VAL A 70 13.794 16.111 17.171 1.00 0.00 H new ATOM 0 HB VAL A 70 16.624 16.124 18.301 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.001 13.940 19.244 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.964 15.248 19.863 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.349 14.142 18.611 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.963 14.080 16.972 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.351 14.289 16.246 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.628 15.490 15.939 1.00 0.00 H new ATOM 1054 N TRP A 71 13.070 17.501 19.090 1.00 0.00 N ATOM 1055 CA TRP A 71 12.612 18.272 20.240 1.00 0.00 C ATOM 1056 C TRP A 71 12.013 17.358 21.304 1.00 0.00 C ATOM 1057 O TRP A 71 11.212 16.475 20.996 1.00 0.00 O ATOM 1058 CB TRP A 71 11.580 19.313 19.805 1.00 0.00 C ATOM 1059 CG TRP A 71 12.190 20.623 19.407 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.310 20.809 18.646 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.716 21.929 19.752 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.559 22.152 18.497 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.595 22.860 19.165 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.633 22.403 20.496 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.424 24.235 19.303 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.464 23.768 20.632 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.355 24.671 20.038 1.00 0.00 C ATOM 0 H TRP A 71 12.332 16.993 18.602 1.00 0.00 H new ATOM 0 HA TRP A 71 13.474 18.783 20.669 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.007 18.918 18.967 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.877 19.481 20.621 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.911 20.017 18.224 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.336 22.556 17.974 1.00 0.00 H new ATOM 0 HE3 TRP A 71 9.940 21.715 20.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.110 24.933 18.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.631 24.145 21.206 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.195 25.732 20.162 1.00 0.00 H new ATOM 1078 N ARG A 72 12.404 17.577 22.555 1.00 0.00 N ATOM 1079 CA ARG A 72 11.905 16.772 23.663 1.00 0.00 C ATOM 1080 C ARG A 72 10.618 17.364 24.229 1.00 0.00 C ATOM 1081 O ARG A 72 10.570 18.541 24.589 1.00 0.00 O ATOM 1082 CB ARG A 72 12.962 16.673 24.765 1.00 0.00 C ATOM 1083 CG ARG A 72 12.752 15.498 25.707 1.00 0.00 C ATOM 1084 CD ARG A 72 13.449 15.720 27.039 1.00 0.00 C ATOM 1085 NE ARG A 72 12.672 16.580 27.927 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.859 16.640 29.241 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.792 15.895 29.816 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.111 17.448 29.982 1.00 0.00 N ATOM 0 H ARG A 72 13.065 18.305 22.826 1.00 0.00 H new ATOM 0 HA ARG A 72 11.689 15.773 23.285 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.947 16.588 24.306 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.959 17.597 25.344 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.685 15.350 25.874 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.131 14.587 25.244 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.620 14.759 27.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.428 16.168 26.866 1.00 0.00 H new ATOM 0 HE ARG A 72 11.946 17.167 27.516 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.369 15.273 29.250 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.933 15.943 30.825 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.392 18.023 29.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.255 17.494 30.991 1.00 0.00 H new ATOM 1102 N VAL A 73 9.577 16.541 24.305 1.00 0.00 N ATOM 1103 CA VAL A 73 8.290 16.983 24.828 1.00 0.00 C ATOM 1104 C VAL A 73 7.970 16.299 26.152 1.00 0.00 C ATOM 1105 O VAL A 73 7.240 16.840 26.982 1.00 0.00 O ATOM 1106 CB VAL A 73 7.152 16.700 23.829 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.277 17.599 22.608 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.151 15.234 23.424 1.00 0.00 C ATOM 0 H VAL A 73 9.600 15.565 24.011 1.00 0.00 H new ATOM 0 HA VAL A 73 8.366 18.059 24.987 1.00 0.00 H new ATOM 0 HB VAL A 73 6.202 16.919 24.316 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.465 17.385 21.914 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.224 18.643 22.918 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.232 17.415 22.117 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.341 15.052 22.718 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.103 14.985 22.955 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.008 14.612 24.308 1.00 0.00 H new ATOM 1118 N SER A 74 8.523 15.106 26.344 1.00 0.00 N ATOM 1119 CA SER A 74 8.295 14.345 27.567 1.00 0.00 C ATOM 1120 C SER A 74 9.559 14.293 28.419 1.00 0.00 C ATOM 1121 O SER A 74 10.664 14.510 27.923 1.00 0.00 O ATOM 1122 CB SER A 74 7.834 12.925 27.231 1.00 0.00 C ATOM 1123 OG SER A 74 7.759 12.124 28.398 1.00 0.00 O ATOM 0 H SER A 74 9.132 14.645 25.668 1.00 0.00 H new ATOM 0 HA SER A 74 7.514 14.848 28.138 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.858 12.961 26.747 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.526 12.473 26.520 1.00 0.00 H new ATOM 0 HG SER A 74 7.461 11.222 28.157 1.00 0.00 H new