USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -0.0361 K(o=-0.31,f=-1.5) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 15 CYS SG : rot 29:sc= 0.366 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 35:sc= 0.304 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.048) USER MOD Single : A 41 GLN : amide:sc= -0.639 K(o=-0.64,f=-3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00616 (180deg=-0.116) USER MOD Single : A 65 CYS SG : rot 29:sc= 0.00384 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 28:sc= 0.0881 USER MOD Single : A 69 ASN :FLIP amide:sc= 0.684 F(o=0,f=0.68) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 6.038 15.253 11.512 1.00 0.00 N ATOM 67 CA LEU A 8 6.466 15.196 12.905 1.00 0.00 C ATOM 68 C LEU A 8 5.902 13.960 13.599 1.00 0.00 C ATOM 69 O LEU A 8 4.687 13.812 13.733 1.00 0.00 O ATOM 70 CB LEU A 8 6.023 16.458 13.648 1.00 0.00 C ATOM 71 CG LEU A 8 6.386 17.788 12.986 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.634 18.934 13.644 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.888 18.025 13.052 1.00 0.00 C ATOM 0 HA LEU A 8 7.554 15.135 12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.941 16.421 13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.460 16.440 14.646 1.00 0.00 H new ATOM 0 HG LEU A 8 6.092 17.742 11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.905 19.872 13.160 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.561 18.770 13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.896 18.982 14.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.128 18.976 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.207 18.050 14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.407 17.219 12.533 1.00 0.00 H new ATOM 85 N ARG A 9 6.792 13.077 14.039 1.00 0.00 N ATOM 86 CA ARG A 9 6.383 11.854 14.720 1.00 0.00 C ATOM 87 C ARG A 9 6.737 11.913 16.203 1.00 0.00 C ATOM 88 O ARG A 9 7.242 12.924 16.691 1.00 0.00 O ATOM 89 CB ARG A 9 7.049 10.638 14.073 1.00 0.00 C ATOM 90 CG ARG A 9 6.458 10.266 12.723 1.00 0.00 C ATOM 91 CD ARG A 9 5.001 9.852 12.848 1.00 0.00 C ATOM 92 NE ARG A 9 4.092 10.971 12.618 1.00 0.00 N ATOM 93 CZ ARG A 9 2.780 10.833 12.461 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.227 9.629 12.510 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.019 11.900 12.256 1.00 0.00 N ATOM 0 H ARG A 9 7.801 13.185 13.936 1.00 0.00 H new ATOM 0 HA ARG A 9 5.301 11.760 14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.113 10.839 13.951 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.961 9.785 14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.539 11.114 12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.033 9.450 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.787 9.058 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.825 9.441 13.842 1.00 0.00 H new ATOM 0 HE ARG A 9 4.486 11.911 12.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.809 8.807 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.220 9.525 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.441 12.828 12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.012 11.793 12.136 1.00 0.00 H new ATOM 109 N ARG A 10 6.468 10.823 16.914 1.00 0.00 N ATOM 110 CA ARG A 10 6.756 10.751 18.341 1.00 0.00 C ATOM 111 C ARG A 10 7.201 9.346 18.736 1.00 0.00 C ATOM 112 O ARG A 10 6.510 8.365 18.459 1.00 0.00 O ATOM 113 CB ARG A 10 5.524 11.155 19.153 1.00 0.00 C ATOM 114 CG ARG A 10 5.452 12.644 19.449 1.00 0.00 C ATOM 115 CD ARG A 10 4.102 13.031 20.033 1.00 0.00 C ATOM 116 NE ARG A 10 3.050 13.043 19.020 1.00 0.00 N ATOM 117 CZ ARG A 10 2.860 14.047 18.171 1.00 0.00 C ATOM 118 NH1 ARG A 10 3.646 15.113 18.212 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.881 13.985 17.277 1.00 0.00 N ATOM 0 H ARG A 10 6.051 9.977 16.525 1.00 0.00 H new ATOM 0 HA ARG A 10 7.568 11.445 18.557 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.627 10.857 18.609 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.523 10.605 20.094 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.243 12.916 20.148 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.628 13.207 18.533 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.835 12.330 20.824 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.175 14.017 20.492 1.00 0.00 H new ATOM 0 HE ARG A 10 2.428 12.237 18.961 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.400 15.165 18.897 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.497 15.882 17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.274 13.166 17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.736 14.756 16.625 1.00 0.00 H new ATOM 133 N ALA A 11 8.358 9.257 19.384 1.00 0.00 N ATOM 134 CA ALA A 11 8.893 7.972 19.818 1.00 0.00 C ATOM 135 C ALA A 11 9.888 8.150 20.960 1.00 0.00 C ATOM 136 O ALA A 11 10.376 9.254 21.207 1.00 0.00 O ATOM 137 CB ALA A 11 9.551 7.253 18.650 1.00 0.00 C ATOM 0 H ALA A 11 8.943 10.059 19.620 1.00 0.00 H new ATOM 0 HA ALA A 11 8.064 7.366 20.183 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.946 6.295 18.988 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.814 7.085 17.865 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.365 7.863 18.259 1.00 0.00 H new ATOM 143 N THR A 12 10.185 7.057 21.656 1.00 0.00 N ATOM 144 CA THR A 12 11.120 7.093 22.773 1.00 0.00 C ATOM 145 C THR A 12 12.513 6.651 22.338 1.00 0.00 C ATOM 146 O THR A 12 12.661 5.835 21.428 1.00 0.00 O ATOM 147 CB THR A 12 10.647 6.193 23.930 1.00 0.00 C ATOM 148 OG1 THR A 12 10.012 5.020 23.411 1.00 0.00 O ATOM 149 CG2 THR A 12 9.679 6.941 24.835 1.00 0.00 C ATOM 0 H THR A 12 9.791 6.136 21.465 1.00 0.00 H new ATOM 0 HA THR A 12 11.160 8.126 23.119 1.00 0.00 H new ATOM 0 HB THR A 12 11.519 5.904 24.516 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.716 4.453 24.153 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.358 6.286 25.645 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.174 7.818 25.252 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.810 7.256 24.257 1.00 0.00 H new ATOM 157 N VAL A 13 13.533 7.195 22.995 1.00 0.00 N ATOM 158 CA VAL A 13 14.915 6.855 22.677 1.00 0.00 C ATOM 159 C VAL A 13 15.320 5.537 23.328 1.00 0.00 C ATOM 160 O VAL A 13 14.885 5.221 24.435 1.00 0.00 O ATOM 161 CB VAL A 13 15.884 7.961 23.136 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.312 7.616 22.742 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.471 9.305 22.554 1.00 0.00 C ATOM 0 H VAL A 13 13.428 7.873 23.750 1.00 0.00 H new ATOM 0 HA VAL A 13 14.976 6.755 21.593 1.00 0.00 H new ATOM 0 HB VAL A 13 15.840 8.032 24.223 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.983 8.408 23.074 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.602 6.675 23.210 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.377 7.517 21.658 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.166 10.075 22.888 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.486 9.250 21.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.465 9.554 22.891 1.00 0.00 H new ATOM 173 N GLU A 14 16.156 4.773 22.632 1.00 0.00 N ATOM 174 CA GLU A 14 16.620 3.488 23.143 1.00 0.00 C ATOM 175 C GLU A 14 17.696 3.682 24.208 1.00 0.00 C ATOM 176 O GLU A 14 17.482 3.385 25.384 1.00 0.00 O ATOM 177 CB GLU A 14 17.165 2.627 22.002 1.00 0.00 C ATOM 178 CG GLU A 14 17.814 1.335 22.471 1.00 0.00 C ATOM 179 CD GLU A 14 18.180 0.416 21.322 1.00 0.00 C ATOM 180 OE1 GLU A 14 18.643 0.926 20.279 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.004 -0.812 21.464 1.00 0.00 O ATOM 0 H GLU A 14 16.525 5.021 21.714 1.00 0.00 H new ATOM 0 HA GLU A 14 15.771 2.979 23.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.351 2.387 21.318 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.895 3.207 21.438 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.711 1.570 23.043 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.134 0.815 23.145 1.00 0.00 H new ATOM 188 N CYS A 15 18.853 4.182 23.787 1.00 0.00 N ATOM 189 CA CYS A 15 19.964 4.415 24.703 1.00 0.00 C ATOM 190 C CYS A 15 20.874 5.523 24.183 1.00 0.00 C ATOM 191 O CYS A 15 21.278 5.515 23.020 1.00 0.00 O ATOM 192 CB CYS A 15 20.767 3.129 24.900 1.00 0.00 C ATOM 193 SG CYS A 15 20.159 2.076 26.239 1.00 0.00 S ATOM 0 H CYS A 15 19.046 4.434 22.818 1.00 0.00 H new ATOM 0 HA CYS A 15 19.553 4.728 25.662 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.755 2.560 23.971 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.806 3.389 25.100 1.00 0.00 H new ATOM 0 HG CYS A 15 18.878 2.250 26.380 1.00 0.00 H new ATOM 199 N VAL A 16 21.192 6.477 25.052 1.00 0.00 N ATOM 200 CA VAL A 16 22.054 7.593 24.681 1.00 0.00 C ATOM 201 C VAL A 16 23.256 7.693 25.613 1.00 0.00 C ATOM 202 O VAL A 16 23.129 8.106 26.766 1.00 0.00 O ATOM 203 CB VAL A 16 21.286 8.928 24.706 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.198 10.076 24.302 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.067 8.859 23.798 1.00 0.00 C ATOM 0 H VAL A 16 20.866 6.499 26.018 1.00 0.00 H new ATOM 0 HA VAL A 16 22.401 7.401 23.666 1.00 0.00 H new ATOM 0 HB VAL A 16 20.942 9.110 25.724 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.638 11.011 24.325 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.036 10.137 24.997 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.575 9.904 23.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.537 9.811 23.828 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.386 8.653 22.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.404 8.063 24.138 1.00 0.00 H new ATOM 215 N LYS A 17 24.424 7.312 25.106 1.00 0.00 N ATOM 216 CA LYS A 17 25.651 7.359 25.892 1.00 0.00 C ATOM 217 C LYS A 17 26.776 8.024 25.104 1.00 0.00 C ATOM 218 O LYS A 17 27.531 8.832 25.645 1.00 0.00 O ATOM 219 CB LYS A 17 26.071 5.947 26.306 1.00 0.00 C ATOM 220 CG LYS A 17 26.196 4.983 25.139 1.00 0.00 C ATOM 221 CD LYS A 17 26.368 3.550 25.616 1.00 0.00 C ATOM 222 CE LYS A 17 25.892 2.554 24.570 1.00 0.00 C ATOM 223 NZ LYS A 17 26.277 1.158 24.918 1.00 0.00 N ATOM 0 H LYS A 17 24.546 6.967 24.154 1.00 0.00 H new ATOM 0 HA LYS A 17 25.457 7.951 26.787 1.00 0.00 H new ATOM 0 HB2 LYS A 17 27.027 5.999 26.827 1.00 0.00 H new ATOM 0 HB3 LYS A 17 25.343 5.554 27.015 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.308 5.054 24.510 1.00 0.00 H new ATOM 0 HG3 LYS A 17 27.048 5.267 24.521 1.00 0.00 H new ATOM 0 HD2 LYS A 17 27.417 3.365 25.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.809 3.403 26.540 1.00 0.00 H new ATOM 0 HE2 LYS A 17 24.808 2.619 24.474 1.00 0.00 H new ATOM 0 HE3 LYS A 17 26.314 2.816 23.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 25.934 0.509 24.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.313 1.090 24.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 25.853 0.898 25.832 1.00 0.00 H new ATOM 237 N ASP A 18 26.879 7.681 23.825 1.00 0.00 N ATOM 238 CA ASP A 18 27.910 8.247 22.963 1.00 0.00 C ATOM 239 C ASP A 18 27.386 9.474 22.224 1.00 0.00 C ATOM 240 O ASP A 18 26.196 9.784 22.281 1.00 0.00 O ATOM 241 CB ASP A 18 28.396 7.201 21.959 1.00 0.00 C ATOM 242 CG ASP A 18 29.832 7.432 21.532 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.472 8.354 22.078 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.316 6.690 20.651 1.00 0.00 O ATOM 0 H ASP A 18 26.261 7.014 23.362 1.00 0.00 H new ATOM 0 HA ASP A 18 28.747 8.553 23.591 1.00 0.00 H new ATOM 0 HB2 ASP A 18 28.307 6.209 22.401 1.00 0.00 H new ATOM 0 HB3 ASP A 18 27.751 7.218 21.080 1.00 0.00 H new ATOM 249 N GLN A 19 28.283 10.169 21.531 1.00 0.00 N ATOM 250 CA GLN A 19 27.911 11.364 20.783 1.00 0.00 C ATOM 251 C GLN A 19 26.731 11.081 19.858 1.00 0.00 C ATOM 252 O GLN A 19 25.928 11.969 19.570 1.00 0.00 O ATOM 253 CB GLN A 19 29.102 11.873 19.969 1.00 0.00 C ATOM 254 CG GLN A 19 29.993 12.838 20.733 1.00 0.00 C ATOM 255 CD GLN A 19 31.324 13.073 20.046 1.00 0.00 C ATOM 256 OE1 GLN A 19 31.375 13.568 18.920 1.00 0.00 O ATOM 257 NE2 GLN A 19 32.410 12.718 20.722 1.00 0.00 N ATOM 0 H GLN A 19 29.272 9.925 21.472 1.00 0.00 H new ATOM 0 HA GLN A 19 27.614 12.132 21.497 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.699 11.021 19.643 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.733 12.367 19.070 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.475 13.790 20.849 1.00 0.00 H new ATOM 0 HG3 GLN A 19 30.170 12.447 21.735 1.00 0.00 H new ATOM 0 HE21 GLN A 19 32.321 12.311 21.653 1.00 0.00 H new ATOM 0 HE22 GLN A 19 33.334 12.852 20.310 1.00 0.00 H new ATOM 266 N PHE A 20 26.633 9.840 19.395 1.00 0.00 N ATOM 267 CA PHE A 20 25.552 9.440 18.501 1.00 0.00 C ATOM 268 C PHE A 20 24.705 8.339 19.131 1.00 0.00 C ATOM 269 O PHE A 20 25.232 7.373 19.682 1.00 0.00 O ATOM 270 CB PHE A 20 26.119 8.961 17.163 1.00 0.00 C ATOM 271 CG PHE A 20 27.147 7.874 17.302 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.765 6.543 17.342 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.494 8.184 17.392 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.707 5.540 17.470 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.441 7.185 17.519 1.00 0.00 C ATOM 276 CZ PHE A 20 29.047 5.862 17.559 1.00 0.00 C ATOM 0 H PHE A 20 27.289 9.093 19.624 1.00 0.00 H new ATOM 0 HA PHE A 20 24.917 10.309 18.328 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.301 8.599 16.540 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.566 9.808 16.643 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.718 6.286 17.272 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.808 9.217 17.363 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.396 4.506 17.500 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.488 7.439 17.587 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.786 5.080 17.660 1.00 0.00 H new ATOM 286 N GLY A 21 23.387 8.492 19.044 1.00 0.00 N ATOM 287 CA GLY A 21 22.487 7.504 19.610 1.00 0.00 C ATOM 288 C GLY A 21 21.425 7.056 18.626 1.00 0.00 C ATOM 289 O GLY A 21 21.356 7.559 17.504 1.00 0.00 O ATOM 0 H GLY A 21 22.927 9.282 18.592 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.063 6.638 19.938 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.006 7.920 20.495 1.00 0.00 H new ATOM 293 N PHE A 22 20.595 6.106 19.045 1.00 0.00 N ATOM 294 CA PHE A 22 19.533 5.588 18.191 1.00 0.00 C ATOM 295 C PHE A 22 18.171 5.742 18.862 1.00 0.00 C ATOM 296 O PHE A 22 18.069 5.738 20.089 1.00 0.00 O ATOM 297 CB PHE A 22 19.787 4.116 17.860 1.00 0.00 C ATOM 298 CG PHE A 22 21.196 3.835 17.422 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.187 3.576 18.355 1.00 0.00 C ATOM 300 CD2 PHE A 22 21.530 3.831 16.077 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.484 3.316 17.956 1.00 0.00 C ATOM 302 CE2 PHE A 22 22.825 3.572 15.672 1.00 0.00 C ATOM 303 CZ PHE A 22 23.804 3.315 16.612 1.00 0.00 C ATOM 0 H PHE A 22 20.638 5.680 19.971 1.00 0.00 H new ATOM 0 HA PHE A 22 19.531 6.166 17.267 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.560 3.510 18.737 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.101 3.805 17.072 1.00 0.00 H new ATOM 0 HD1 PHE A 22 21.943 3.577 19.407 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.769 4.033 15.337 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.247 3.114 18.694 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.072 3.570 14.621 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.817 3.114 16.297 1.00 0.00 H new ATOM 313 N ILE A 23 17.129 5.878 18.049 1.00 0.00 N ATOM 314 CA ILE A 23 15.774 6.033 18.564 1.00 0.00 C ATOM 315 C ILE A 23 14.979 4.740 18.417 1.00 0.00 C ATOM 316 O ILE A 23 15.129 4.016 17.435 1.00 0.00 O ATOM 317 CB ILE A 23 15.024 7.168 17.842 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.822 8.471 17.928 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.637 7.350 18.440 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.282 9.570 17.039 1.00 0.00 C ATOM 0 H ILE A 23 17.197 5.884 17.031 1.00 0.00 H new ATOM 0 HA ILE A 23 15.865 6.283 19.621 1.00 0.00 H new ATOM 0 HB ILE A 23 14.913 6.900 16.791 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.824 8.819 18.961 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.859 8.271 17.656 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.119 8.156 17.919 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.070 6.425 18.332 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.727 7.600 19.497 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.896 10.463 17.151 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.305 9.242 16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.255 9.798 17.325 1.00 0.00 H new ATOM 332 N ASN A 24 14.132 4.458 19.402 1.00 0.00 N ATOM 333 CA ASN A 24 13.311 3.253 19.382 1.00 0.00 C ATOM 334 C ASN A 24 12.094 3.438 18.482 1.00 0.00 C ATOM 335 O ASN A 24 10.953 3.336 18.934 1.00 0.00 O ATOM 336 CB ASN A 24 12.862 2.894 20.800 1.00 0.00 C ATOM 337 CG ASN A 24 12.644 1.403 20.977 1.00 0.00 C ATOM 338 OD1 ASN A 24 11.963 0.764 20.176 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.224 0.842 22.032 1.00 0.00 N ATOM 0 H ASN A 24 13.996 5.047 20.223 1.00 0.00 H new ATOM 0 HA ASN A 24 13.915 2.438 18.982 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.612 3.236 21.513 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.938 3.424 21.031 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.113 -0.157 22.204 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.780 1.411 22.671 1.00 0.00 H new ATOM 346 N TYR A 25 12.344 3.711 17.206 1.00 0.00 N ATOM 347 CA TYR A 25 11.269 3.912 16.242 1.00 0.00 C ATOM 348 C TYR A 25 11.499 3.075 14.987 1.00 0.00 C ATOM 349 O TYR A 25 12.557 3.149 14.365 1.00 0.00 O ATOM 350 CB TYR A 25 11.161 5.392 15.869 1.00 0.00 C ATOM 351 CG TYR A 25 9.918 5.727 15.076 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.682 5.842 15.700 1.00 0.00 C ATOM 353 CD2 TYR A 25 9.980 5.929 13.703 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.544 6.147 14.979 1.00 0.00 C ATOM 355 CE2 TYR A 25 8.847 6.236 12.974 1.00 0.00 C ATOM 356 CZ TYR A 25 7.631 6.344 13.616 1.00 0.00 C ATOM 357 OH TYR A 25 6.500 6.649 12.895 1.00 0.00 O ATOM 0 H TYR A 25 13.282 3.798 16.815 1.00 0.00 H new ATOM 0 HA TYR A 25 10.336 3.591 16.704 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.172 5.990 16.781 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.039 5.677 15.290 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.610 5.690 16.767 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.930 5.845 13.197 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.591 6.231 15.480 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.913 6.391 11.907 1.00 0.00 H new ATOM 0 HH TYR A 25 6.734 6.757 11.950 1.00 0.00 H new ATOM 367 N GLU A 26 10.497 2.281 14.623 1.00 0.00 N ATOM 368 CA GLU A 26 10.589 1.429 13.442 1.00 0.00 C ATOM 369 C GLU A 26 9.981 2.120 12.225 1.00 0.00 C ATOM 370 O GLU A 26 8.937 2.764 12.320 1.00 0.00 O ATOM 371 CB GLU A 26 9.883 0.095 13.692 1.00 0.00 C ATOM 372 CG GLU A 26 10.368 -1.028 12.791 1.00 0.00 C ATOM 373 CD GLU A 26 9.490 -1.217 11.569 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.261 -1.366 11.739 1.00 0.00 O ATOM 375 OE2 GLU A 26 10.031 -1.215 10.444 1.00 0.00 O ATOM 0 H GLU A 26 9.613 2.210 15.128 1.00 0.00 H new ATOM 0 HA GLU A 26 11.644 1.241 13.242 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.031 -0.195 14.732 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.811 0.228 13.548 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.388 -0.817 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.398 -1.958 13.359 1.00 0.00 H new ATOM 382 N VAL A 27 10.643 1.980 11.080 1.00 0.00 N ATOM 383 CA VAL A 27 10.168 2.589 9.844 1.00 0.00 C ATOM 384 C VAL A 27 10.257 1.609 8.679 1.00 0.00 C ATOM 385 O VAL A 27 9.356 1.537 7.845 1.00 0.00 O ATOM 386 CB VAL A 27 10.973 3.855 9.496 1.00 0.00 C ATOM 387 CG1 VAL A 27 10.644 4.980 10.466 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.465 3.556 9.501 1.00 0.00 C ATOM 0 H VAL A 27 11.509 1.450 10.984 1.00 0.00 H new ATOM 0 HA VAL A 27 9.126 2.863 10.007 1.00 0.00 H new ATOM 0 HB VAL A 27 10.694 4.178 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.222 5.866 10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.580 5.211 10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.894 4.670 11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.018 4.462 9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.763 3.208 10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.684 2.784 8.763 1.00 0.00 H new ATOM 398 N GLY A 28 11.350 0.853 8.630 1.00 0.00 N ATOM 399 CA GLY A 28 11.536 -0.113 7.564 1.00 0.00 C ATOM 400 C GLY A 28 12.688 -1.061 7.835 1.00 0.00 C ATOM 401 O GLY A 28 12.717 -1.734 8.866 1.00 0.00 O ATOM 0 H GLY A 28 12.109 0.893 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.619 -0.688 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.716 0.414 6.627 1.00 0.00 H new ATOM 405 N ASP A 29 13.638 -1.115 6.909 1.00 0.00 N ATOM 406 CA ASP A 29 14.798 -1.988 7.052 1.00 0.00 C ATOM 407 C ASP A 29 15.509 -1.732 8.377 1.00 0.00 C ATOM 408 O ASP A 29 16.023 -2.657 9.006 1.00 0.00 O ATOM 409 CB ASP A 29 15.768 -1.778 5.889 1.00 0.00 C ATOM 410 CG ASP A 29 15.149 -2.124 4.549 1.00 0.00 C ATOM 411 OD1 ASP A 29 14.430 -1.271 3.988 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.385 -3.249 4.060 1.00 0.00 O ATOM 0 H ASP A 29 13.628 -0.564 6.050 1.00 0.00 H new ATOM 0 HA ASP A 29 14.449 -3.021 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.096 -0.739 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.656 -2.391 6.045 1.00 0.00 H new ATOM 417 N SER A 30 15.536 -0.470 8.795 1.00 0.00 N ATOM 418 CA SER A 30 16.189 -0.092 10.042 1.00 0.00 C ATOM 419 C SER A 30 15.203 -0.130 11.205 1.00 0.00 C ATOM 420 O SER A 30 14.282 0.684 11.282 1.00 0.00 O ATOM 421 CB SER A 30 16.797 1.307 9.921 1.00 0.00 C ATOM 422 OG SER A 30 15.838 2.241 9.457 1.00 0.00 O ATOM 0 H SER A 30 15.113 0.307 8.288 1.00 0.00 H new ATOM 0 HA SER A 30 16.984 -0.811 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.180 1.626 10.890 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.645 1.281 9.236 1.00 0.00 H new ATOM 0 HG SER A 30 14.955 2.008 9.814 1.00 0.00 H new ATOM 428 N LYS A 31 15.401 -1.083 12.110 1.00 0.00 N ATOM 429 CA LYS A 31 14.531 -1.230 13.271 1.00 0.00 C ATOM 430 C LYS A 31 14.522 0.045 14.108 1.00 0.00 C ATOM 431 O LYS A 31 13.525 0.369 14.753 1.00 0.00 O ATOM 432 CB LYS A 31 14.986 -2.413 14.128 1.00 0.00 C ATOM 433 CG LYS A 31 14.510 -3.759 13.609 1.00 0.00 C ATOM 434 CD LYS A 31 14.928 -4.892 14.532 1.00 0.00 C ATOM 435 CE LYS A 31 14.721 -6.249 13.877 1.00 0.00 C ATOM 436 NZ LYS A 31 15.548 -7.307 14.522 1.00 0.00 N ATOM 0 H LYS A 31 16.157 -1.766 12.061 1.00 0.00 H new ATOM 0 HA LYS A 31 13.518 -1.417 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.075 -2.417 14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.620 -2.275 15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.424 -3.749 13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.918 -3.931 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.977 -4.774 14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.352 -4.841 15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.668 -6.524 13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.974 -6.184 12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.379 -8.217 14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.554 -7.057 14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.289 -7.387 15.526 1.00 0.00 H new ATOM 450 N LYS A 32 15.639 0.765 14.093 1.00 0.00 N ATOM 451 CA LYS A 32 15.759 2.006 14.849 1.00 0.00 C ATOM 452 C LYS A 32 16.267 3.137 13.960 1.00 0.00 C ATOM 453 O LYS A 32 16.747 2.900 12.851 1.00 0.00 O ATOM 454 CB LYS A 32 16.703 1.814 16.038 1.00 0.00 C ATOM 455 CG LYS A 32 16.129 0.934 17.135 1.00 0.00 C ATOM 456 CD LYS A 32 16.452 -0.532 16.901 1.00 0.00 C ATOM 457 CE LYS A 32 16.466 -1.315 18.205 1.00 0.00 C ATOM 458 NZ LYS A 32 16.170 -2.758 17.988 1.00 0.00 N ATOM 0 H LYS A 32 16.474 0.510 13.565 1.00 0.00 H new ATOM 0 HA LYS A 32 14.769 2.274 15.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.636 1.376 15.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.948 2.790 16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.529 1.246 18.100 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.048 1.066 17.181 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.715 -0.964 16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.423 -0.618 16.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.441 -1.212 18.680 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.731 -0.892 18.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.189 -3.257 18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.229 -2.858 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.886 -3.168 17.354 1.00 0.00 H new ATOM 472 N LEU A 33 16.161 4.365 14.455 1.00 0.00 N ATOM 473 CA LEU A 33 16.612 5.533 13.706 1.00 0.00 C ATOM 474 C LEU A 33 17.957 6.029 14.227 1.00 0.00 C ATOM 475 O LEU A 33 18.346 5.726 15.355 1.00 0.00 O ATOM 476 CB LEU A 33 15.573 6.653 13.795 1.00 0.00 C ATOM 477 CG LEU A 33 15.520 7.615 12.608 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.182 6.867 11.328 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.507 8.722 12.864 1.00 0.00 C ATOM 0 H LEU A 33 15.767 4.578 15.371 1.00 0.00 H new ATOM 0 HA LEU A 33 16.733 5.240 12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.589 6.200 13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.768 7.232 14.698 1.00 0.00 H new ATOM 0 HG LEU A 33 16.504 8.069 12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.149 7.569 10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.944 6.111 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.211 6.384 11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.482 9.398 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.519 8.285 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.793 9.277 13.757 1.00 0.00 H new ATOM 491 N PHE A 34 18.661 6.793 13.399 1.00 0.00 N ATOM 492 CA PHE A 34 19.962 7.333 13.777 1.00 0.00 C ATOM 493 C PHE A 34 19.917 8.856 13.859 1.00 0.00 C ATOM 494 O PHE A 34 19.291 9.515 13.029 1.00 0.00 O ATOM 495 CB PHE A 34 21.030 6.896 12.773 1.00 0.00 C ATOM 496 CG PHE A 34 22.424 7.290 13.170 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.017 6.746 14.297 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.141 8.205 12.416 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.299 7.107 14.665 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.424 8.570 12.779 1.00 0.00 C ATOM 501 CZ PHE A 34 25.004 8.020 13.904 1.00 0.00 C ATOM 0 H PHE A 34 18.353 7.052 12.462 1.00 0.00 H new ATOM 0 HA PHE A 34 20.217 6.942 14.762 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.986 5.813 12.657 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.802 7.330 11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.471 6.031 14.895 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.692 8.638 11.534 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.750 6.676 15.547 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.972 9.285 12.183 1.00 0.00 H new ATOM 0 HZ PHE A 34 26.007 8.302 14.189 1.00 0.00 H new ATOM 511 N PHE A 35 20.585 9.408 14.866 1.00 0.00 N ATOM 512 CA PHE A 35 20.620 10.853 15.059 1.00 0.00 C ATOM 513 C PHE A 35 21.870 11.269 15.830 1.00 0.00 C ATOM 514 O PHE A 35 22.439 10.479 16.584 1.00 0.00 O ATOM 515 CB PHE A 35 19.368 11.321 15.804 1.00 0.00 C ATOM 516 CG PHE A 35 19.367 10.957 17.261 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.041 9.673 17.667 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.692 11.898 18.224 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.038 9.335 19.008 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.692 11.566 19.566 1.00 0.00 C ATOM 521 CZ PHE A 35 19.365 10.283 19.958 1.00 0.00 C ATOM 0 H PHE A 35 21.109 8.877 15.561 1.00 0.00 H new ATOM 0 HA PHE A 35 20.647 11.324 14.077 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.281 12.403 15.708 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.488 10.887 15.329 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.786 8.928 16.928 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.948 12.903 17.923 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.780 8.331 19.312 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.947 12.309 20.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.365 10.021 21.006 1.00 0.00 H new ATOM 531 N HIS A 36 22.292 12.514 15.634 1.00 0.00 N ATOM 532 CA HIS A 36 23.474 13.036 16.310 1.00 0.00 C ATOM 533 C HIS A 36 23.090 14.106 17.328 1.00 0.00 C ATOM 534 O HIS A 36 21.968 14.613 17.317 1.00 0.00 O ATOM 535 CB HIS A 36 24.457 13.613 15.292 1.00 0.00 C ATOM 536 CG HIS A 36 25.855 13.740 15.814 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.470 14.955 16.032 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.759 12.795 16.163 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.692 14.751 16.492 1.00 0.00 C ATOM 540 NE2 HIS A 36 27.892 13.448 16.580 1.00 0.00 N ATOM 0 H HIS A 36 21.833 13.180 15.013 1.00 0.00 H new ATOM 0 HA HIS A 36 23.953 12.212 16.839 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.465 12.977 14.407 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.105 14.595 14.976 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.615 11.725 16.121 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.406 15.519 16.752 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.749 13.000 16.905 1.00 0.00 H new ATOM 548 N VAL A 37 24.028 14.444 18.206 1.00 0.00 N ATOM 549 CA VAL A 37 23.788 15.454 19.230 1.00 0.00 C ATOM 550 C VAL A 37 23.473 16.808 18.604 1.00 0.00 C ATOM 551 O VAL A 37 22.824 17.654 19.220 1.00 0.00 O ATOM 552 CB VAL A 37 25.002 15.604 20.166 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.118 14.400 21.089 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.277 15.791 19.358 1.00 0.00 C ATOM 0 H VAL A 37 24.961 14.033 18.229 1.00 0.00 H new ATOM 0 HA VAL A 37 22.930 15.117 19.811 1.00 0.00 H new ATOM 0 HB VAL A 37 24.856 16.491 20.783 1.00 0.00 H new ATOM 0 HG11 VAL A 37 25.981 14.524 21.743 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.215 14.316 21.693 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.241 13.495 20.493 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.125 15.895 20.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.431 14.924 18.715 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.190 16.687 18.744 1.00 0.00 H new ATOM 564 N LYS A 38 23.936 17.007 17.375 1.00 0.00 N ATOM 565 CA LYS A 38 23.703 18.257 16.662 1.00 0.00 C ATOM 566 C LYS A 38 22.217 18.455 16.382 1.00 0.00 C ATOM 567 O LYS A 38 21.720 19.580 16.388 1.00 0.00 O ATOM 568 CB LYS A 38 24.487 18.273 15.348 1.00 0.00 C ATOM 569 CG LYS A 38 23.955 17.300 14.310 1.00 0.00 C ATOM 570 CD LYS A 38 25.071 16.747 13.439 1.00 0.00 C ATOM 571 CE LYS A 38 25.455 17.725 12.339 1.00 0.00 C ATOM 572 NZ LYS A 38 26.533 18.655 12.775 1.00 0.00 N ATOM 0 H LYS A 38 24.476 16.318 16.851 1.00 0.00 H new ATOM 0 HA LYS A 38 24.048 19.076 17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.465 19.281 14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.531 18.036 15.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.441 16.479 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.218 17.802 13.683 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.943 16.531 14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.754 15.804 12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.786 17.171 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.578 18.300 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.262 19.632 12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.673 18.567 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.418 18.416 12.283 1.00 0.00 H new ATOM 586 N GLU A 39 21.514 17.353 16.137 1.00 0.00 N ATOM 587 CA GLU A 39 20.084 17.408 15.856 1.00 0.00 C ATOM 588 C GLU A 39 19.330 18.084 16.997 1.00 0.00 C ATOM 589 O GLU A 39 18.771 19.168 16.830 1.00 0.00 O ATOM 590 CB GLU A 39 19.532 15.998 15.630 1.00 0.00 C ATOM 591 CG GLU A 39 19.731 15.487 14.213 1.00 0.00 C ATOM 592 CD GLU A 39 21.156 15.663 13.724 1.00 0.00 C ATOM 593 OE1 GLU A 39 22.018 14.842 14.098 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.407 16.623 12.966 1.00 0.00 O ATOM 0 H GLU A 39 21.911 16.413 16.127 1.00 0.00 H new ATOM 0 HA GLU A 39 19.940 17.997 14.950 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.015 15.312 16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.467 15.992 15.863 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.464 14.431 14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.053 16.014 13.542 1.00 0.00 H new ATOM 601 N VAL A 40 19.318 17.435 18.157 1.00 0.00 N ATOM 602 CA VAL A 40 18.634 17.973 19.327 1.00 0.00 C ATOM 603 C VAL A 40 19.065 19.409 19.604 1.00 0.00 C ATOM 604 O VAL A 40 20.257 19.700 19.704 1.00 0.00 O ATOM 605 CB VAL A 40 18.904 17.117 20.578 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.399 16.989 20.826 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.203 17.710 21.791 1.00 0.00 C ATOM 0 H VAL A 40 19.774 16.536 18.312 1.00 0.00 H new ATOM 0 HA VAL A 40 17.567 17.954 19.106 1.00 0.00 H new ATOM 0 HB VAL A 40 18.502 16.118 20.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.570 16.381 21.714 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.871 16.515 19.965 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.829 17.979 20.976 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.405 17.092 22.666 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.573 18.720 21.967 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.129 17.743 21.610 1.00 0.00 H new ATOM 617 N GLN A 41 18.088 20.301 19.728 1.00 0.00 N ATOM 618 CA GLN A 41 18.367 21.707 19.994 1.00 0.00 C ATOM 619 C GLN A 41 17.848 22.115 21.369 1.00 0.00 C ATOM 620 O GLN A 41 17.412 21.272 22.154 1.00 0.00 O ATOM 621 CB GLN A 41 17.735 22.588 18.915 1.00 0.00 C ATOM 622 CG GLN A 41 17.959 22.074 17.502 1.00 0.00 C ATOM 623 CD GLN A 41 19.419 22.104 17.095 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.281 22.535 17.861 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.706 21.644 15.882 1.00 0.00 N ATOM 0 H GLN A 41 17.096 20.075 19.649 1.00 0.00 H new ATOM 0 HA GLN A 41 19.448 21.845 19.978 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.663 22.662 19.100 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.143 23.596 18.995 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.586 21.053 17.428 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.379 22.677 16.804 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.961 21.296 15.279 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.672 21.639 15.554 1.00 0.00 H new ATOM 634 N ASP A 42 17.896 23.412 21.653 1.00 0.00 N ATOM 635 CA ASP A 42 17.430 23.932 22.933 1.00 0.00 C ATOM 636 C ASP A 42 18.241 23.348 24.085 1.00 0.00 C ATOM 637 O ASP A 42 17.770 23.283 25.220 1.00 0.00 O ATOM 638 CB ASP A 42 15.946 23.615 23.126 1.00 0.00 C ATOM 639 CG ASP A 42 15.308 24.466 24.206 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.206 25.695 24.010 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.910 23.904 25.248 1.00 0.00 O ATOM 0 H ASP A 42 18.253 24.122 21.014 1.00 0.00 H new ATOM 0 HA ASP A 42 17.566 25.014 22.929 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.419 23.772 22.185 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.833 22.562 23.383 1.00 0.00 H new ATOM 646 N GLY A 43 19.464 22.922 23.785 1.00 0.00 N ATOM 647 CA GLY A 43 20.321 22.348 24.806 1.00 0.00 C ATOM 648 C GLY A 43 19.640 21.233 25.575 1.00 0.00 C ATOM 649 O GLY A 43 19.665 21.214 26.806 1.00 0.00 O ATOM 0 H GLY A 43 19.877 22.964 22.853 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.228 21.963 24.340 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.627 23.130 25.501 1.00 0.00 H new ATOM 653 N ILE A 44 19.029 20.303 24.849 1.00 0.00 N ATOM 654 CA ILE A 44 18.338 19.181 25.471 1.00 0.00 C ATOM 655 C ILE A 44 19.109 17.881 25.271 1.00 0.00 C ATOM 656 O ILE A 44 19.791 17.702 24.262 1.00 0.00 O ATOM 657 CB ILE A 44 16.915 19.013 24.905 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.180 20.355 24.906 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.143 17.980 25.712 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.949 20.916 26.292 1.00 0.00 C ATOM 0 H ILE A 44 18.999 20.305 23.829 1.00 0.00 H new ATOM 0 HA ILE A 44 18.273 19.402 26.536 1.00 0.00 H new ATOM 0 HB ILE A 44 16.988 18.661 23.876 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.754 21.075 24.322 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.219 20.234 24.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.140 17.872 25.300 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.659 17.021 25.665 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.076 18.305 26.750 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.423 21.868 26.216 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.349 20.215 26.873 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.908 21.069 26.787 1.00 0.00 H new ATOM 672 N GLU A 45 18.995 16.977 26.238 1.00 0.00 N ATOM 673 CA GLU A 45 19.682 15.692 26.167 1.00 0.00 C ATOM 674 C GLU A 45 18.683 14.539 26.212 1.00 0.00 C ATOM 675 O GLU A 45 17.933 14.389 27.178 1.00 0.00 O ATOM 676 CB GLU A 45 20.683 15.560 27.316 1.00 0.00 C ATOM 677 CG GLU A 45 22.024 16.215 27.034 1.00 0.00 C ATOM 678 CD GLU A 45 23.144 15.643 27.881 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.396 14.423 27.784 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.768 16.413 28.640 1.00 0.00 O ATOM 0 H GLU A 45 18.434 17.110 27.079 1.00 0.00 H new ATOM 0 HA GLU A 45 20.220 15.647 25.220 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.253 16.004 28.214 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.842 14.503 27.528 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.271 16.089 25.980 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.946 17.287 27.217 1.00 0.00 H new ATOM 687 N LEU A 46 18.680 13.726 25.162 1.00 0.00 N ATOM 688 CA LEU A 46 17.774 12.585 25.080 1.00 0.00 C ATOM 689 C LEU A 46 18.353 11.377 25.809 1.00 0.00 C ATOM 690 O LEU A 46 19.523 11.037 25.635 1.00 0.00 O ATOM 691 CB LEU A 46 17.502 12.229 23.617 1.00 0.00 C ATOM 692 CG LEU A 46 17.360 13.409 22.655 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.299 12.920 21.216 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.124 14.229 22.994 1.00 0.00 C ATOM 0 H LEU A 46 19.295 13.835 24.355 1.00 0.00 H new ATOM 0 HA LEU A 46 16.836 12.862 25.561 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.312 11.592 23.262 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.588 11.637 23.572 1.00 0.00 H new ATOM 0 HG LEU A 46 18.236 14.048 22.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.198 13.774 20.546 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.214 12.377 20.977 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.442 12.258 21.093 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.040 15.064 22.299 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.237 13.600 22.915 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.209 14.611 24.011 1.00 0.00 H new ATOM 706 N GLN A 47 17.524 10.732 26.624 1.00 0.00 N ATOM 707 CA GLN A 47 17.954 9.561 27.379 1.00 0.00 C ATOM 708 C GLN A 47 17.041 8.371 27.104 1.00 0.00 C ATOM 709 O GLN A 47 15.991 8.513 26.478 1.00 0.00 O ATOM 710 CB GLN A 47 17.970 9.870 28.877 1.00 0.00 C ATOM 711 CG GLN A 47 18.634 11.195 29.217 1.00 0.00 C ATOM 712 CD GLN A 47 18.528 11.540 30.690 1.00 0.00 C ATOM 713 OE1 GLN A 47 18.346 10.661 31.533 1.00 0.00 O ATOM 714 NE2 GLN A 47 18.641 12.824 31.007 1.00 0.00 N ATOM 0 H GLN A 47 16.552 11.000 26.778 1.00 0.00 H new ATOM 0 HA GLN A 47 18.963 9.304 27.058 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.945 9.881 29.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.490 9.067 29.400 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.685 11.154 28.932 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.175 11.989 28.628 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.791 13.519 30.275 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.578 13.116 31.982 1.00 0.00 H new ATOM 723 N ALA A 48 17.448 7.197 27.575 1.00 0.00 N ATOM 724 CA ALA A 48 16.665 5.983 27.381 1.00 0.00 C ATOM 725 C ALA A 48 15.292 6.105 28.032 1.00 0.00 C ATOM 726 O ALA A 48 15.175 6.143 29.256 1.00 0.00 O ATOM 727 CB ALA A 48 17.411 4.779 27.940 1.00 0.00 C ATOM 0 H ALA A 48 18.316 7.061 28.094 1.00 0.00 H new ATOM 0 HA ALA A 48 16.519 5.842 26.310 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.815 3.879 27.788 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.366 4.672 27.426 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.587 4.923 29.006 1.00 0.00 H new ATOM 733 N GLY A 49 14.253 6.167 27.204 1.00 0.00 N ATOM 734 CA GLY A 49 12.901 6.285 27.717 1.00 0.00 C ATOM 735 C GLY A 49 12.366 7.700 27.621 1.00 0.00 C ATOM 736 O GLY A 49 11.369 8.039 28.260 1.00 0.00 O ATOM 0 H GLY A 49 14.324 6.138 26.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.245 5.614 27.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.881 5.962 28.758 1.00 0.00 H new ATOM 740 N ASP A 50 13.029 8.528 26.822 1.00 0.00 N ATOM 741 CA ASP A 50 12.615 9.915 26.644 1.00 0.00 C ATOM 742 C ASP A 50 11.879 10.097 25.321 1.00 0.00 C ATOM 743 O ASP A 50 12.440 9.863 24.251 1.00 0.00 O ATOM 744 CB ASP A 50 13.829 10.843 26.699 1.00 0.00 C ATOM 745 CG ASP A 50 14.286 11.115 28.119 1.00 0.00 C ATOM 746 OD1 ASP A 50 13.794 10.433 29.041 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.136 12.011 28.307 1.00 0.00 O ATOM 0 H ASP A 50 13.856 8.263 26.287 1.00 0.00 H new ATOM 0 HA ASP A 50 11.934 10.172 27.456 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.649 10.398 26.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.584 11.787 26.212 1.00 0.00 H new ATOM 752 N GLU A 51 10.619 10.515 25.402 1.00 0.00 N ATOM 753 CA GLU A 51 9.807 10.726 24.210 1.00 0.00 C ATOM 754 C GLU A 51 10.120 12.076 23.570 1.00 0.00 C ATOM 755 O GLU A 51 10.046 13.117 24.223 1.00 0.00 O ATOM 756 CB GLU A 51 8.319 10.647 24.559 1.00 0.00 C ATOM 757 CG GLU A 51 7.439 10.247 23.387 1.00 0.00 C ATOM 758 CD GLU A 51 5.967 10.210 23.748 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.536 11.052 24.563 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.247 9.340 23.216 1.00 0.00 O ATOM 0 H GLU A 51 10.140 10.714 26.280 1.00 0.00 H new ATOM 0 HA GLU A 51 10.047 9.940 23.494 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.182 9.929 25.367 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.991 11.616 24.935 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.591 10.949 22.567 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.745 9.265 23.026 1.00 0.00 H new ATOM 767 N VAL A 52 10.470 12.049 22.288 1.00 0.00 N ATOM 768 CA VAL A 52 10.794 13.270 21.559 1.00 0.00 C ATOM 769 C VAL A 52 10.134 13.280 20.185 1.00 0.00 C ATOM 770 O VAL A 52 9.719 12.239 19.677 1.00 0.00 O ATOM 771 CB VAL A 52 12.316 13.434 21.387 1.00 0.00 C ATOM 772 CG1 VAL A 52 12.996 13.560 22.742 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.891 12.267 20.599 1.00 0.00 C ATOM 0 H VAL A 52 10.536 11.196 21.733 1.00 0.00 H new ATOM 0 HA VAL A 52 10.411 14.103 22.149 1.00 0.00 H new ATOM 0 HB VAL A 52 12.505 14.350 20.826 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.071 13.675 22.600 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.604 14.431 23.266 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.802 12.664 23.331 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.967 12.399 20.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.693 11.336 21.131 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.425 12.228 19.614 1.00 0.00 H new ATOM 783 N GLU A 53 10.042 14.465 19.588 1.00 0.00 N ATOM 784 CA GLU A 53 9.432 14.610 18.272 1.00 0.00 C ATOM 785 C GLU A 53 10.480 14.969 17.223 1.00 0.00 C ATOM 786 O GLU A 53 11.346 15.812 17.458 1.00 0.00 O ATOM 787 CB GLU A 53 8.341 15.683 18.306 1.00 0.00 C ATOM 788 CG GLU A 53 7.788 16.033 16.935 1.00 0.00 C ATOM 789 CD GLU A 53 8.565 17.147 16.260 1.00 0.00 C ATOM 790 OE1 GLU A 53 8.323 18.325 16.594 1.00 0.00 O ATOM 791 OE2 GLU A 53 9.415 16.839 15.398 1.00 0.00 O ATOM 0 H GLU A 53 10.382 15.337 19.995 1.00 0.00 H new ATOM 0 HA GLU A 53 8.984 13.654 18.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.524 15.339 18.941 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.744 16.585 18.767 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.808 15.146 16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.744 16.331 17.034 1.00 0.00 H new ATOM 798 N PHE A 54 10.395 14.324 16.064 1.00 0.00 N ATOM 799 CA PHE A 54 11.337 14.573 14.979 1.00 0.00 C ATOM 800 C PHE A 54 10.669 14.370 13.622 1.00 0.00 C ATOM 801 O PHE A 54 9.612 13.746 13.526 1.00 0.00 O ATOM 802 CB PHE A 54 12.550 13.650 15.106 1.00 0.00 C ATOM 803 CG PHE A 54 12.190 12.195 15.196 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.905 11.466 14.052 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.135 11.555 16.424 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.574 10.127 14.131 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.804 10.216 16.509 1.00 0.00 C ATOM 808 CZ PHE A 54 11.522 9.501 15.361 1.00 0.00 C ATOM 0 H PHE A 54 9.683 13.625 15.852 1.00 0.00 H new ATOM 0 HA PHE A 54 11.669 15.609 15.050 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.203 13.802 14.247 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.119 13.931 15.992 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.942 11.950 13.087 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.353 12.109 17.325 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.356 9.570 13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.766 9.729 17.472 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.261 8.455 15.425 1.00 0.00 H new ATOM 818 N SER A 55 11.294 14.901 12.576 1.00 0.00 N ATOM 819 CA SER A 55 10.759 14.782 11.225 1.00 0.00 C ATOM 820 C SER A 55 11.538 13.746 10.421 1.00 0.00 C ATOM 821 O SER A 55 12.769 13.727 10.438 1.00 0.00 O ATOM 822 CB SER A 55 10.806 16.136 10.514 1.00 0.00 C ATOM 823 OG SER A 55 9.818 16.215 9.502 1.00 0.00 O ATOM 0 H SER A 55 12.171 15.418 12.638 1.00 0.00 H new ATOM 0 HA SER A 55 9.722 14.454 11.299 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.654 16.936 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.793 16.286 10.076 1.00 0.00 H new ATOM 0 HG SER A 55 9.868 17.090 9.064 1.00 0.00 H new ATOM 829 N VAL A 56 10.811 12.883 9.718 1.00 0.00 N ATOM 830 CA VAL A 56 11.433 11.843 8.906 1.00 0.00 C ATOM 831 C VAL A 56 12.044 12.428 7.637 1.00 0.00 C ATOM 832 O VAL A 56 11.327 12.859 6.734 1.00 0.00 O ATOM 833 CB VAL A 56 10.417 10.752 8.518 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.079 9.689 7.655 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.800 10.132 9.763 1.00 0.00 C ATOM 0 H VAL A 56 9.791 12.883 9.694 1.00 0.00 H new ATOM 0 HA VAL A 56 12.221 11.396 9.512 1.00 0.00 H new ATOM 0 HB VAL A 56 9.619 11.213 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.346 8.927 7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.468 10.149 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.898 9.229 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.085 9.363 9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.584 9.684 10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.288 10.904 10.338 1.00 0.00 H new ATOM 845 N ILE A 57 13.371 12.438 7.577 1.00 0.00 N ATOM 846 CA ILE A 57 14.078 12.968 6.418 1.00 0.00 C ATOM 847 C ILE A 57 14.751 11.852 5.627 1.00 0.00 C ATOM 848 O ILE A 57 15.542 11.081 6.170 1.00 0.00 O ATOM 849 CB ILE A 57 15.142 14.002 6.832 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.538 15.033 7.788 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.721 14.687 5.603 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.366 15.787 7.202 1.00 0.00 C ATOM 0 H ILE A 57 13.978 12.085 8.317 1.00 0.00 H new ATOM 0 HA ILE A 57 13.333 13.457 5.790 1.00 0.00 H new ATOM 0 HB ILE A 57 15.949 13.484 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.216 14.527 8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.311 15.746 8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.471 15.415 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.183 13.942 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.924 15.195 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.989 16.500 7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.687 16.321 6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.575 15.084 6.940 1.00 0.00 H new ATOM 864 N LEU A 58 14.433 11.772 4.339 1.00 0.00 N ATOM 865 CA LEU A 58 15.008 10.751 3.471 1.00 0.00 C ATOM 866 C LEU A 58 15.946 11.376 2.443 1.00 0.00 C ATOM 867 O LEU A 58 15.600 12.359 1.789 1.00 0.00 O ATOM 868 CB LEU A 58 13.898 9.974 2.760 1.00 0.00 C ATOM 869 CG LEU A 58 14.342 9.075 1.606 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.315 8.015 2.099 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.137 8.427 0.940 1.00 0.00 C ATOM 0 H LEU A 58 13.780 12.402 3.873 1.00 0.00 H new ATOM 0 HA LEU A 58 15.584 10.064 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.384 9.358 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.169 10.689 2.378 1.00 0.00 H new ATOM 0 HG LEU A 58 14.852 9.692 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.620 7.385 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.193 8.498 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.831 7.402 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.472 7.791 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.598 7.824 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.476 9.202 0.551 1.00 0.00 H new ATOM 883 N ASN A 59 17.134 10.796 2.304 1.00 0.00 N ATOM 884 CA ASN A 59 18.121 11.295 1.354 1.00 0.00 C ATOM 885 C ASN A 59 18.067 10.507 0.049 1.00 0.00 C ATOM 886 O ASN A 59 18.104 9.277 0.054 1.00 0.00 O ATOM 887 CB ASN A 59 19.526 11.212 1.955 1.00 0.00 C ATOM 888 CG ASN A 59 19.894 12.457 2.739 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.036 13.281 3.055 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.176 12.600 3.054 1.00 0.00 N ATOM 0 H ASN A 59 17.436 9.980 2.837 1.00 0.00 H new ATOM 0 HA ASN A 59 17.886 12.337 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.587 10.342 2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.252 11.061 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.484 13.419 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.853 11.891 2.771 1.00 0.00 H new ATOM 897 N GLN A 60 17.980 11.224 -1.067 1.00 0.00 N ATOM 898 CA GLN A 60 17.921 10.592 -2.379 1.00 0.00 C ATOM 899 C GLN A 60 19.314 10.185 -2.850 1.00 0.00 C ATOM 900 O GLN A 60 19.470 9.210 -3.585 1.00 0.00 O ATOM 901 CB GLN A 60 17.281 11.538 -3.396 1.00 0.00 C ATOM 902 CG GLN A 60 15.771 11.643 -3.263 1.00 0.00 C ATOM 903 CD GLN A 60 15.116 12.239 -4.494 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.405 13.373 -4.877 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.229 11.476 -5.121 1.00 0.00 N ATOM 0 H GLN A 60 17.949 12.243 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 60 17.309 9.694 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.717 12.530 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.526 11.196 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.357 10.652 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.528 12.255 -2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.020 10.542 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.756 11.824 -5.955 1.00 0.00 H new ATOM 914 N ARG A 61 20.321 10.939 -2.423 1.00 0.00 N ATOM 915 CA ARG A 61 21.700 10.658 -2.803 1.00 0.00 C ATOM 916 C ARG A 61 22.200 9.382 -2.131 1.00 0.00 C ATOM 917 O ARG A 61 22.719 8.481 -2.791 1.00 0.00 O ATOM 918 CB ARG A 61 22.605 11.833 -2.427 1.00 0.00 C ATOM 919 CG ARG A 61 23.856 11.937 -3.284 1.00 0.00 C ATOM 920 CD ARG A 61 23.584 12.684 -4.580 1.00 0.00 C ATOM 921 NE ARG A 61 24.780 13.348 -5.091 1.00 0.00 N ATOM 922 CZ ARG A 61 24.813 14.026 -6.232 1.00 0.00 C ATOM 923 NH1 ARG A 61 23.721 14.130 -6.977 1.00 0.00 N ATOM 924 NH2 ARG A 61 25.940 14.603 -6.630 1.00 0.00 N ATOM 0 H ARG A 61 20.208 11.749 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 61 21.731 10.516 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.038 12.760 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.898 11.735 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.639 12.449 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.227 10.937 -3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.209 11.986 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.801 13.424 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 61 25.637 13.288 -4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.853 13.689 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 61 23.749 14.652 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 61 26.782 14.526 -6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 61 25.964 15.124 -7.507 1.00 0.00 H new ATOM 938 N THR A 62 22.041 9.312 -0.813 1.00 0.00 N ATOM 939 CA THR A 62 22.477 8.149 -0.051 1.00 0.00 C ATOM 940 C THR A 62 21.397 7.073 -0.024 1.00 0.00 C ATOM 941 O THR A 62 21.632 5.934 -0.424 1.00 0.00 O ATOM 942 CB THR A 62 22.843 8.529 1.396 1.00 0.00 C ATOM 943 OG1 THR A 62 21.731 9.172 2.029 1.00 0.00 O ATOM 944 CG2 THR A 62 24.051 9.453 1.423 1.00 0.00 C ATOM 0 H THR A 62 21.613 10.048 -0.251 1.00 0.00 H new ATOM 0 HA THR A 62 23.363 7.759 -0.551 1.00 0.00 H new ATOM 0 HB THR A 62 23.091 7.616 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.971 9.409 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.291 9.708 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.903 8.951 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.825 10.363 0.867 1.00 0.00 H new ATOM 952 N GLY A 63 20.211 7.443 0.450 1.00 0.00 N ATOM 953 CA GLY A 63 19.112 6.497 0.520 1.00 0.00 C ATOM 954 C GLY A 63 18.878 5.984 1.927 1.00 0.00 C ATOM 955 O GLY A 63 18.510 4.825 2.120 1.00 0.00 O ATOM 0 H GLY A 63 19.992 8.381 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.202 6.974 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 63 19.319 5.655 -0.141 1.00 0.00 H new ATOM 959 N LYS A 64 19.092 6.847 2.914 1.00 0.00 N ATOM 960 CA LYS A 64 18.903 6.476 4.311 1.00 0.00 C ATOM 961 C LYS A 64 17.938 7.434 5.002 1.00 0.00 C ATOM 962 O LYS A 64 17.472 8.402 4.401 1.00 0.00 O ATOM 963 CB LYS A 64 20.245 6.469 5.045 1.00 0.00 C ATOM 964 CG LYS A 64 21.329 5.686 4.324 1.00 0.00 C ATOM 965 CD LYS A 64 22.564 5.514 5.192 1.00 0.00 C ATOM 966 CE LYS A 64 23.751 5.017 4.381 1.00 0.00 C ATOM 967 NZ LYS A 64 23.416 3.793 3.601 1.00 0.00 N ATOM 0 H LYS A 64 19.397 7.810 2.772 1.00 0.00 H new ATOM 0 HA LYS A 64 18.476 5.474 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.581 7.497 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.103 6.046 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.944 4.707 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.600 6.202 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.815 6.465 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.350 4.809 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.081 5.802 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.585 4.804 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.286 3.389 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.967 3.094 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.761 4.040 2.832 1.00 0.00 H new ATOM 981 N CYS A 65 17.644 7.158 6.268 1.00 0.00 N ATOM 982 CA CYS A 65 16.735 7.997 7.042 1.00 0.00 C ATOM 983 C CYS A 65 17.412 8.506 8.310 1.00 0.00 C ATOM 984 O CYS A 65 18.342 7.883 8.822 1.00 0.00 O ATOM 985 CB CYS A 65 15.470 7.216 7.402 1.00 0.00 C ATOM 986 SG CYS A 65 15.788 5.600 8.147 1.00 0.00 S ATOM 0 H CYS A 65 18.021 6.361 6.780 1.00 0.00 H new ATOM 0 HA CYS A 65 16.461 8.856 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.872 7.811 8.092 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.872 7.078 6.501 1.00 0.00 H new ATOM 0 HG CYS A 65 16.920 5.631 8.785 1.00 0.00 H new ATOM 992 N SER A 66 16.940 9.643 8.812 1.00 0.00 N ATOM 993 CA SER A 66 17.503 10.239 10.017 1.00 0.00 C ATOM 994 C SER A 66 16.548 11.271 10.610 1.00 0.00 C ATOM 995 O SER A 66 15.602 11.706 9.954 1.00 0.00 O ATOM 996 CB SER A 66 18.850 10.894 9.706 1.00 0.00 C ATOM 997 OG SER A 66 18.708 11.914 8.733 1.00 0.00 O ATOM 0 H SER A 66 16.169 10.170 8.402 1.00 0.00 H new ATOM 0 HA SER A 66 17.653 9.445 10.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.273 11.314 10.619 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.551 10.140 9.347 1.00 0.00 H new ATOM 0 HG SER A 66 19.582 12.318 8.553 1.00 0.00 H new ATOM 1003 N ALA A 67 16.803 11.657 11.856 1.00 0.00 N ATOM 1004 CA ALA A 67 15.968 12.638 12.537 1.00 0.00 C ATOM 1005 C ALA A 67 16.585 14.031 12.461 1.00 0.00 C ATOM 1006 O ALA A 67 17.794 14.176 12.278 1.00 0.00 O ATOM 1007 CB ALA A 67 15.755 12.233 13.988 1.00 0.00 C ATOM 0 H ALA A 67 17.581 11.305 12.414 1.00 0.00 H new ATOM 0 HA ALA A 67 15.002 12.668 12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.130 12.975 14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.264 11.260 14.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.718 12.173 14.494 1.00 0.00 H new ATOM 1013 N CYS A 68 15.746 15.052 12.600 1.00 0.00 N ATOM 1014 CA CYS A 68 16.209 16.434 12.545 1.00 0.00 C ATOM 1015 C CYS A 68 15.367 17.326 13.451 1.00 0.00 C ATOM 1016 O CYS A 68 14.148 17.178 13.525 1.00 0.00 O ATOM 1017 CB CYS A 68 16.159 16.954 11.107 1.00 0.00 C ATOM 1018 SG CYS A 68 17.672 16.659 10.163 1.00 0.00 S ATOM 0 H CYS A 68 14.743 14.949 12.751 1.00 0.00 H new ATOM 0 HA CYS A 68 17.240 16.460 12.897 1.00 0.00 H new ATOM 0 HB2 CYS A 68 15.323 16.482 10.590 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.958 18.025 11.126 1.00 0.00 H new ATOM 0 HG CYS A 68 18.274 15.604 10.626 1.00 0.00 H new ATOM 1024 N ASN A 69 16.026 18.253 14.139 1.00 0.00 N ATOM 1025 CA ASN A 69 15.337 19.168 15.042 1.00 0.00 C ATOM 1026 C ASN A 69 14.620 18.402 16.150 1.00 0.00 C ATOM 1027 O ASN A 69 13.500 18.743 16.530 1.00 0.00 O ATOM 1028 CB ASN A 69 14.335 20.025 14.267 1.00 0.00 C ATOM 1029 CG ASN A 69 14.121 21.384 14.905 1.00 0.00 C ATOM 1030 OD1 ASN A 69 14.599 22.430 14.241 1.00 0.00 O flip ATOM 1031 ND2 ASN A 69 13.533 21.492 15.981 1.00 0.00 N flip ATOM 0 H ASN A 69 17.035 18.390 14.088 1.00 0.00 H new ATOM 0 HA ASN A 69 16.083 19.818 15.499 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.689 20.158 13.245 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.381 19.500 14.208 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.182 20.660 16.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.396 22.413 16.397 1.00 0.00 H new ATOM 1038 N VAL A 70 15.273 17.365 16.664 1.00 0.00 N ATOM 1039 CA VAL A 70 14.699 16.551 17.729 1.00 0.00 C ATOM 1040 C VAL A 70 14.347 17.403 18.943 1.00 0.00 C ATOM 1041 O VAL A 70 15.209 18.066 19.520 1.00 0.00 O ATOM 1042 CB VAL A 70 15.665 15.433 18.164 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.039 14.582 19.258 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.060 14.576 16.970 1.00 0.00 C ATOM 0 H VAL A 70 16.200 17.068 16.360 1.00 0.00 H new ATOM 0 HA VAL A 70 13.791 16.101 17.328 1.00 0.00 H new ATOM 0 HB VAL A 70 16.568 15.893 18.567 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.736 13.797 19.552 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.812 15.208 20.121 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.120 14.130 18.886 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.743 13.791 17.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.168 14.124 16.536 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.552 15.198 16.223 1.00 0.00 H new ATOM 1054 N TRP A 71 13.075 17.382 19.324 1.00 0.00 N ATOM 1055 CA TRP A 71 12.608 18.153 20.471 1.00 0.00 C ATOM 1056 C TRP A 71 12.086 17.233 21.569 1.00 0.00 C ATOM 1057 O TRP A 71 11.354 16.281 21.299 1.00 0.00 O ATOM 1058 CB TRP A 71 11.511 19.129 20.042 1.00 0.00 C ATOM 1059 CG TRP A 71 10.781 19.746 21.196 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.729 19.208 21.882 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.046 21.017 21.798 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.325 20.069 22.874 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.117 21.186 22.844 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.979 22.029 21.557 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.096 22.325 23.643 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.956 23.160 22.351 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.021 23.300 23.385 1.00 0.00 C ATOM 0 H TRP A 71 12.349 16.840 18.856 1.00 0.00 H new ATOM 0 HA TRP A 71 13.453 18.717 20.867 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.954 19.920 19.437 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.796 18.605 19.407 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.281 18.247 21.675 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.559 19.903 23.527 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.705 21.929 20.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.375 22.436 24.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.671 23.949 22.171 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.030 24.195 23.990 1.00 0.00 H new ATOM 1078 N ARG A 72 12.467 17.524 22.809 1.00 0.00 N ATOM 1079 CA ARG A 72 12.037 16.722 23.948 1.00 0.00 C ATOM 1080 C ARG A 72 10.772 17.300 24.574 1.00 0.00 C ATOM 1081 O ARG A 72 10.730 18.474 24.944 1.00 0.00 O ATOM 1082 CB ARG A 72 13.150 16.648 24.995 1.00 0.00 C ATOM 1083 CG ARG A 72 13.005 15.480 25.957 1.00 0.00 C ATOM 1084 CD ARG A 72 13.706 15.755 27.278 1.00 0.00 C ATOM 1085 NE ARG A 72 12.845 16.469 28.216 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.231 16.839 29.432 1.00 0.00 C ATOM 1087 NH1 ARG A 72 14.457 16.564 29.855 1.00 0.00 N ATOM 1088 NH2 ARG A 72 12.390 17.486 30.229 1.00 0.00 N ATOM 0 H ARG A 72 13.072 18.309 23.050 1.00 0.00 H new ATOM 0 HA ARG A 72 11.817 15.716 23.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.111 16.572 24.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.164 17.577 25.565 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.948 15.286 26.138 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.421 14.580 25.504 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.023 14.812 27.723 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.607 16.341 27.095 1.00 0.00 H new ATOM 0 HE ARG A 72 11.895 16.696 27.922 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.107 16.067 29.246 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.750 16.850 30.789 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.446 17.700 29.908 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.688 17.769 31.162 1.00 0.00 H new ATOM 1102 N VAL A 73 9.741 16.469 24.690 1.00 0.00 N ATOM 1103 CA VAL A 73 8.475 16.897 25.271 1.00 0.00 C ATOM 1104 C VAL A 73 8.317 16.369 26.693 1.00 0.00 C ATOM 1105 O VAL A 73 7.699 17.014 27.540 1.00 0.00 O ATOM 1106 CB VAL A 73 7.279 16.423 24.424 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.352 17.011 23.023 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.232 14.904 24.372 1.00 0.00 C ATOM 0 H VAL A 73 9.758 15.495 24.389 1.00 0.00 H new ATOM 0 HA VAL A 73 8.488 17.987 25.290 1.00 0.00 H new ATOM 0 HB VAL A 73 6.360 16.776 24.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.499 16.666 22.439 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.333 18.099 23.084 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.276 16.690 22.541 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.381 14.587 23.770 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.153 14.527 23.927 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.129 14.508 25.382 1.00 0.00 H new ATOM 1118 N SER A 74 8.880 15.193 26.948 1.00 0.00 N ATOM 1119 CA SER A 74 8.799 14.576 28.267 1.00 0.00 C ATOM 1120 C SER A 74 10.162 14.047 28.703 1.00 0.00 C ATOM 1121 O SER A 74 11.030 13.775 27.875 1.00 0.00 O ATOM 1122 CB SER A 74 7.776 13.438 28.259 1.00 0.00 C ATOM 1123 OG SER A 74 7.994 12.549 29.340 1.00 0.00 O ATOM 0 H SER A 74 9.398 14.648 26.259 1.00 0.00 H new ATOM 0 HA SER A 74 8.479 15.337 28.979 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.769 13.850 28.320 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.841 12.893 27.317 1.00 0.00 H new ATOM 0 HG SER A 74 7.327 11.832 29.314 1.00 0.00 H new