USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -1.21 (180deg=-2.07) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 177:sc= -0.497 (180deg=-0.55) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.641) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 34 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.8!) USER MOD Single : A 40 SER OG : rot 66:sc= 0.00559 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 7 7.194 8.594 -0.302 1.00 0.00 N ATOM 59 CA VAL A 7 6.337 7.550 0.245 1.00 0.00 C ATOM 60 C VAL A 7 4.966 7.564 -0.422 1.00 0.00 C ATOM 61 O VAL A 7 4.300 6.533 -0.520 1.00 0.00 O ATOM 62 CB VAL A 7 6.159 7.701 1.768 1.00 0.00 C ATOM 63 CG1 VAL A 7 7.474 7.458 2.488 1.00 0.00 C ATOM 64 CG2 VAL A 7 5.603 9.076 2.109 1.00 0.00 C ATOM 0 HA VAL A 7 6.830 6.599 0.042 1.00 0.00 H new ATOM 0 HB VAL A 7 5.443 6.951 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.327 7.569 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.826 6.449 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.215 8.181 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.484 9.163 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.291 9.844 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.635 9.207 1.626 1.00 0.00 H new ATOM 74 N ASP A 8 4.554 8.742 -0.880 1.00 0.00 N ATOM 75 CA ASP A 8 3.264 8.902 -1.544 1.00 0.00 C ATOM 76 C ASP A 8 3.190 8.046 -2.800 1.00 0.00 C ATOM 77 O ASP A 8 2.152 7.463 -3.102 1.00 0.00 O ATOM 78 CB ASP A 8 3.038 10.368 -1.909 1.00 0.00 C ATOM 79 CG ASP A 8 1.701 10.597 -2.586 1.00 0.00 C ATOM 80 OD1 ASP A 8 0.693 10.763 -1.868 1.00 0.00 O ATOM 81 OD2 ASP A 8 1.662 10.610 -3.834 1.00 0.00 O ATOM 0 H ASP A 8 5.096 9.602 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 8 2.486 8.576 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.094 10.977 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.838 10.702 -2.569 1.00 0.00 H new ATOM 86 N ALA A 9 4.297 7.981 -3.532 1.00 0.00 N ATOM 87 CA ALA A 9 4.359 7.191 -4.754 1.00 0.00 C ATOM 88 C ALA A 9 3.944 5.751 -4.487 1.00 0.00 C ATOM 89 O ALA A 9 3.236 5.139 -5.285 1.00 0.00 O ATOM 90 CB ALA A 9 5.758 7.240 -5.340 1.00 0.00 C ATOM 0 H ALA A 9 5.163 8.467 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 9 3.662 7.617 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.791 6.646 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.020 8.273 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.469 6.837 -4.619 1.00 0.00 H new ATOM 96 N LYS A 10 4.393 5.216 -3.354 1.00 0.00 N ATOM 97 CA LYS A 10 4.063 3.850 -2.971 1.00 0.00 C ATOM 98 C LYS A 10 2.586 3.747 -2.608 1.00 0.00 C ATOM 99 O LYS A 10 1.887 2.824 -3.033 1.00 0.00 O ATOM 100 CB LYS A 10 4.926 3.410 -1.787 1.00 0.00 C ATOM 101 CG LYS A 10 6.406 3.728 -1.958 1.00 0.00 C ATOM 102 CD LYS A 10 7.180 2.563 -2.560 1.00 0.00 C ATOM 103 CE LYS A 10 6.687 2.212 -3.953 1.00 0.00 C ATOM 104 NZ LYS A 10 7.586 1.239 -4.632 1.00 0.00 N ATOM 0 H LYS A 10 4.986 5.709 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 10 4.264 3.192 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.561 3.896 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.808 2.336 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.516 4.604 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.835 3.985 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.240 2.815 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.086 1.692 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.683 1.794 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.616 3.120 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.105 0.846 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.458 1.721 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.824 0.469 -3.975 1.00 0.00 H new ATOM 118 N ILE A 11 2.116 4.706 -1.819 1.00 0.00 N ATOM 119 CA ILE A 11 0.723 4.730 -1.406 1.00 0.00 C ATOM 120 C ILE A 11 -0.192 4.748 -2.625 1.00 0.00 C ATOM 121 O ILE A 11 -1.030 3.863 -2.792 1.00 0.00 O ATOM 122 CB ILE A 11 0.414 5.951 -0.526 1.00 0.00 C ATOM 123 CG1 ILE A 11 1.334 5.963 0.700 1.00 0.00 C ATOM 124 CG2 ILE A 11 -1.048 5.920 -0.109 1.00 0.00 C ATOM 125 CD1 ILE A 11 1.151 7.173 1.592 1.00 0.00 C ATOM 0 H ILE A 11 2.679 5.474 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 11 0.543 3.827 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 11 0.595 6.864 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.154 5.061 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.370 5.924 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.267 6.786 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.680 5.943 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.247 5.008 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.836 7.109 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.360 8.079 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.125 7.203 1.959 1.00 0.00 H new ATOM 137 N ALA A 12 -0.031 5.767 -3.463 1.00 0.00 N ATOM 138 CA ALA A 12 -0.825 5.888 -4.678 1.00 0.00 C ATOM 139 C ALA A 12 -0.701 4.616 -5.501 1.00 0.00 C ATOM 140 O ALA A 12 -1.672 4.152 -6.105 1.00 0.00 O ATOM 141 CB ALA A 12 -0.376 7.096 -5.489 1.00 0.00 C ATOM 0 H ALA A 12 0.642 6.520 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.871 6.032 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.980 7.172 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.500 8.000 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.673 6.982 -5.761 1.00 0.00 H new ATOM 147 N LYS A 13 0.508 4.057 -5.518 1.00 0.00 N ATOM 148 CA LYS A 13 0.769 2.823 -6.243 1.00 0.00 C ATOM 149 C LYS A 13 -0.223 1.754 -5.805 1.00 0.00 C ATOM 150 O LYS A 13 -0.649 0.921 -6.606 1.00 0.00 O ATOM 151 CB LYS A 13 2.202 2.350 -5.996 1.00 0.00 C ATOM 152 CG LYS A 13 2.603 1.152 -6.841 1.00 0.00 C ATOM 153 CD LYS A 13 2.789 1.531 -8.296 1.00 0.00 C ATOM 154 CE LYS A 13 3.933 0.759 -8.906 1.00 0.00 C ATOM 155 NZ LYS A 13 3.992 0.917 -10.385 1.00 0.00 N ATOM 0 H LYS A 13 1.320 4.442 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 13 0.649 3.007 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.887 3.173 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.315 2.095 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.529 0.727 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.840 0.378 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.872 1.330 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.982 2.601 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.872 1.098 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.829 -0.298 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.793 0.370 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.107 0.570 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.118 1.922 -10.622 1.00 0.00 H new ATOM 169 N LEU A 14 -0.588 1.786 -4.523 1.00 0.00 N ATOM 170 CA LEU A 14 -1.553 0.834 -3.985 1.00 0.00 C ATOM 171 C LEU A 14 -2.975 1.332 -4.214 1.00 0.00 C ATOM 172 O LEU A 14 -3.909 0.539 -4.338 1.00 0.00 O ATOM 173 CB LEU A 14 -1.318 0.601 -2.492 1.00 0.00 C ATOM 174 CG LEU A 14 -0.368 -0.551 -2.161 1.00 0.00 C ATOM 175 CD1 LEU A 14 1.075 -0.150 -2.416 1.00 0.00 C ATOM 176 CD2 LEU A 14 -0.558 -1.001 -0.721 1.00 0.00 C ATOM 0 H LEU A 14 -0.231 2.458 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.418 -0.113 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.921 1.517 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.278 0.409 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.605 -1.390 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.733 -0.985 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.198 0.117 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.330 0.706 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.126 -1.821 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.351 -0.168 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.585 -1.337 -0.577 1.00 0.00 H new ATOM 188 N MET A 15 -3.132 2.652 -4.270 1.00 0.00 N ATOM 189 CA MET A 15 -4.439 3.259 -4.491 1.00 0.00 C ATOM 190 C MET A 15 -4.994 2.854 -5.849 1.00 0.00 C ATOM 191 O MET A 15 -6.205 2.890 -6.072 1.00 0.00 O ATOM 192 CB MET A 15 -4.347 4.782 -4.394 1.00 0.00 C ATOM 193 CG MET A 15 -4.029 5.283 -2.996 1.00 0.00 C ATOM 194 SD MET A 15 -5.259 4.770 -1.781 1.00 0.00 S ATOM 195 CE MET A 15 -4.547 5.429 -0.277 1.00 0.00 C ATOM 0 H MET A 15 -2.369 3.321 -4.165 1.00 0.00 H new ATOM 0 HA MET A 15 -5.116 2.900 -3.716 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.579 5.136 -5.081 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.292 5.216 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.049 4.912 -2.695 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.968 6.371 -3.009 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.221 5.239 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.588 4.947 -0.087 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.398 6.503 -0.385 1.00 0.00 H new ATOM 205 N GLY A 16 -4.095 2.480 -6.758 1.00 0.00 N ATOM 206 CA GLY A 16 -4.509 2.054 -8.084 1.00 0.00 C ATOM 207 C GLY A 16 -5.638 1.048 -8.028 1.00 0.00 C ATOM 208 O GLY A 16 -6.698 1.256 -8.619 1.00 0.00 O ATOM 0 H GLY A 16 -3.088 2.465 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.825 2.922 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.658 1.616 -8.606 1.00 0.00 H new ATOM 212 N GLU A 17 -5.404 -0.045 -7.312 1.00 0.00 N ATOM 213 CA GLU A 17 -6.408 -1.090 -7.157 1.00 0.00 C ATOM 214 C GLU A 17 -7.673 -0.529 -6.516 1.00 0.00 C ATOM 215 O GLU A 17 -8.787 -0.935 -6.851 1.00 0.00 O ATOM 216 CB GLU A 17 -5.857 -2.237 -6.310 1.00 0.00 C ATOM 217 CG GLU A 17 -4.983 -3.197 -7.096 1.00 0.00 C ATOM 218 CD GLU A 17 -4.209 -4.146 -6.202 1.00 0.00 C ATOM 219 OE1 GLU A 17 -4.767 -5.201 -5.834 1.00 0.00 O ATOM 220 OE2 GLU A 17 -3.047 -3.834 -5.870 1.00 0.00 O ATOM 0 H GLU A 17 -4.525 -0.231 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.659 -1.471 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.279 -1.824 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.689 -2.789 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.607 -3.774 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.283 -2.628 -7.708 1.00 0.00 H new ATOM 227 N GLY A 18 -7.489 0.409 -5.592 1.00 0.00 N ATOM 228 CA GLY A 18 -8.617 1.023 -4.915 1.00 0.00 C ATOM 229 C GLY A 18 -8.966 0.329 -3.613 1.00 0.00 C ATOM 230 O GLY A 18 -9.612 -0.719 -3.615 1.00 0.00 O ATOM 0 H GLY A 18 -6.576 0.756 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.389 2.070 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.484 1.006 -5.575 1.00 0.00 H new ATOM 234 N TYR A 19 -8.538 0.915 -2.500 1.00 0.00 N ATOM 235 CA TYR A 19 -8.810 0.351 -1.183 1.00 0.00 C ATOM 236 C TYR A 19 -8.763 1.436 -0.112 1.00 0.00 C ATOM 237 O TYR A 19 -8.684 2.625 -0.426 1.00 0.00 O ATOM 238 CB TYR A 19 -7.800 -0.750 -0.858 1.00 0.00 C ATOM 239 CG TYR A 19 -8.436 -2.022 -0.342 1.00 0.00 C ATOM 240 CD1 TYR A 19 -9.067 -2.905 -1.209 1.00 0.00 C ATOM 241 CD2 TYR A 19 -8.403 -2.341 1.009 1.00 0.00 C ATOM 242 CE1 TYR A 19 -9.648 -4.069 -0.744 1.00 0.00 C ATOM 243 CE2 TYR A 19 -8.982 -3.504 1.482 1.00 0.00 C ATOM 244 CZ TYR A 19 -9.604 -4.364 0.603 1.00 0.00 C ATOM 245 OH TYR A 19 -10.181 -5.522 1.070 1.00 0.00 O ATOM 0 H TYR A 19 -8.000 1.782 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.811 -0.080 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.224 -0.979 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.096 -0.378 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.104 -2.678 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.917 -1.670 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.134 -4.745 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.947 -3.738 2.536 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.061 -5.579 2.041 1.00 0.00 H new ATOM 255 N ALA A 20 -8.815 1.024 1.150 1.00 0.00 N ATOM 256 CA ALA A 20 -8.776 1.966 2.262 1.00 0.00 C ATOM 257 C ALA A 20 -7.435 2.684 2.327 1.00 0.00 C ATOM 258 O ALA A 20 -6.575 2.493 1.468 1.00 0.00 O ATOM 259 CB ALA A 20 -9.045 1.249 3.579 1.00 0.00 C ATOM 0 H ALA A 20 -8.884 0.045 1.428 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.556 2.709 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.012 1.968 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.030 0.783 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.286 0.483 3.738 1.00 0.00 H new ATOM 265 N PHE A 21 -7.268 3.517 3.345 1.00 0.00 N ATOM 266 CA PHE A 21 -6.025 4.250 3.534 1.00 0.00 C ATOM 267 C PHE A 21 -5.194 3.585 4.621 1.00 0.00 C ATOM 268 O PHE A 21 -4.032 3.242 4.408 1.00 0.00 O ATOM 269 CB PHE A 21 -6.307 5.707 3.911 1.00 0.00 C ATOM 270 CG PHE A 21 -7.095 6.458 2.875 1.00 0.00 C ATOM 271 CD1 PHE A 21 -8.475 6.345 2.818 1.00 0.00 C ATOM 272 CD2 PHE A 21 -6.456 7.277 1.958 1.00 0.00 C ATOM 273 CE1 PHE A 21 -9.203 7.036 1.867 1.00 0.00 C ATOM 274 CE2 PHE A 21 -7.177 7.970 1.004 1.00 0.00 C ATOM 275 CZ PHE A 21 -8.553 7.849 0.958 1.00 0.00 C ATOM 0 H PHE A 21 -7.979 3.702 4.053 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.470 4.238 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.851 5.730 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.360 6.220 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.988 5.710 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.381 7.375 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.278 6.940 1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.666 8.605 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.119 8.389 0.213 1.00 0.00 H new ATOM 285 N GLU A 22 -5.806 3.393 5.784 1.00 0.00 N ATOM 286 CA GLU A 22 -5.133 2.763 6.910 1.00 0.00 C ATOM 287 C GLU A 22 -4.570 1.403 6.513 1.00 0.00 C ATOM 288 O GLU A 22 -3.510 1.000 6.987 1.00 0.00 O ATOM 289 CB GLU A 22 -6.098 2.604 8.085 1.00 0.00 C ATOM 290 CG GLU A 22 -6.691 3.919 8.566 1.00 0.00 C ATOM 291 CD GLU A 22 -7.643 3.736 9.731 1.00 0.00 C ATOM 292 OE1 GLU A 22 -8.836 3.458 9.485 1.00 0.00 O ATOM 293 OE2 GLU A 22 -7.196 3.869 10.890 1.00 0.00 O ATOM 0 H GLU A 22 -6.771 3.666 5.970 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.306 3.406 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.907 1.935 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.574 2.127 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.885 4.590 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.219 4.399 7.742 1.00 0.00 H new ATOM 300 N GLU A 23 -5.284 0.699 5.637 1.00 0.00 N ATOM 301 CA GLU A 23 -4.849 -0.616 5.181 1.00 0.00 C ATOM 302 C GLU A 23 -3.631 -0.511 4.265 1.00 0.00 C ATOM 303 O GLU A 23 -2.727 -1.345 4.319 1.00 0.00 O ATOM 304 CB GLU A 23 -5.991 -1.330 4.461 1.00 0.00 C ATOM 305 CG GLU A 23 -7.110 -1.745 5.396 1.00 0.00 C ATOM 306 CD GLU A 23 -8.131 -2.643 4.726 1.00 0.00 C ATOM 307 OE1 GLU A 23 -7.882 -3.865 4.639 1.00 0.00 O ATOM 308 OE2 GLU A 23 -9.181 -2.126 4.288 1.00 0.00 O ATOM 0 H GLU A 23 -6.164 1.017 5.231 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.562 -1.197 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.394 -0.674 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.600 -2.213 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.686 -2.263 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.610 -0.854 5.776 1.00 0.00 H new ATOM 315 N VAL A 24 -3.611 0.521 3.428 1.00 0.00 N ATOM 316 CA VAL A 24 -2.507 0.731 2.498 1.00 0.00 C ATOM 317 C VAL A 24 -1.229 1.131 3.232 1.00 0.00 C ATOM 318 O VAL A 24 -0.210 0.446 3.134 1.00 0.00 O ATOM 319 CB VAL A 24 -2.861 1.809 1.451 1.00 0.00 C ATOM 320 CG1 VAL A 24 -1.642 2.182 0.618 1.00 0.00 C ATOM 321 CG2 VAL A 24 -3.986 1.321 0.550 1.00 0.00 C ATOM 0 H VAL A 24 -4.347 1.225 3.374 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.334 -0.216 1.987 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.196 2.700 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.919 2.943 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.861 2.572 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.272 1.298 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.225 2.091 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.671 0.414 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.869 1.108 1.153 1.00 0.00 H new ATOM 331 N LYS A 25 -1.286 2.241 3.966 1.00 0.00 N ATOM 332 CA LYS A 25 -0.124 2.725 4.708 1.00 0.00 C ATOM 333 C LYS A 25 0.419 1.653 5.648 1.00 0.00 C ATOM 334 O LYS A 25 1.626 1.425 5.700 1.00 0.00 O ATOM 335 CB LYS A 25 -0.468 3.990 5.500 1.00 0.00 C ATOM 336 CG LYS A 25 -0.613 5.236 4.642 1.00 0.00 C ATOM 337 CD LYS A 25 -1.922 5.238 3.869 1.00 0.00 C ATOM 338 CE LYS A 25 -2.164 6.570 3.179 1.00 0.00 C ATOM 339 NZ LYS A 25 -2.121 7.710 4.137 1.00 0.00 N ATOM 0 H LYS A 25 -2.120 2.820 4.062 1.00 0.00 H new ATOM 0 HA LYS A 25 0.650 2.967 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.399 3.825 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.309 4.163 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.563 6.122 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.222 5.296 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.907 4.440 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.747 5.025 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.412 6.719 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.134 6.550 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.639 8.519 3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.562 7.426 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.132 7.982 4.308 1.00 0.00 H new ATOM 353 N ARG A 26 -0.471 0.998 6.394 1.00 0.00 N ATOM 354 CA ARG A 26 -0.049 -0.050 7.318 1.00 0.00 C ATOM 355 C ARG A 26 0.636 -1.176 6.553 1.00 0.00 C ATOM 356 O ARG A 26 1.594 -1.775 7.038 1.00 0.00 O ATOM 357 CB ARG A 26 -1.239 -0.595 8.119 1.00 0.00 C ATOM 358 CG ARG A 26 -2.045 -1.656 7.388 1.00 0.00 C ATOM 359 CD ARG A 26 -3.299 -2.017 8.158 1.00 0.00 C ATOM 360 NE ARG A 26 -4.076 -3.058 7.487 1.00 0.00 N ATOM 361 CZ ARG A 26 -5.091 -3.700 8.056 1.00 0.00 C ATOM 362 NH1 ARG A 26 -5.455 -3.410 9.298 1.00 0.00 N ATOM 363 NH2 ARG A 26 -5.745 -4.635 7.381 1.00 0.00 N ATOM 0 H ARG A 26 -1.476 1.173 6.376 1.00 0.00 H new ATOM 0 HA ARG A 26 0.659 0.383 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.871 -1.014 9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.899 0.233 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.316 -1.292 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.434 -2.547 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.025 -2.357 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.917 -1.127 8.282 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.825 -3.305 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.955 -2.691 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.235 -3.906 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.469 -4.861 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.524 -5.128 7.817 1.00 0.00 H new ATOM 377 N ALA A 27 0.137 -1.459 5.352 1.00 0.00 N ATOM 378 CA ALA A 27 0.713 -2.504 4.516 1.00 0.00 C ATOM 379 C ALA A 27 2.088 -2.082 4.014 1.00 0.00 C ATOM 380 O ALA A 27 2.929 -2.919 3.688 1.00 0.00 O ATOM 381 CB ALA A 27 -0.208 -2.821 3.349 1.00 0.00 C ATOM 0 H ALA A 27 -0.663 -0.980 4.939 1.00 0.00 H new ATOM 0 HA ALA A 27 0.826 -3.406 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.238 -3.604 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.171 -3.162 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.352 -1.925 2.746 1.00 0.00 H new ATOM 387 N LEU A 28 2.300 -0.772 3.954 1.00 0.00 N ATOM 388 CA LEU A 28 3.567 -0.215 3.504 1.00 0.00 C ATOM 389 C LEU A 28 4.569 -0.144 4.653 1.00 0.00 C ATOM 390 O LEU A 28 5.777 -0.250 4.443 1.00 0.00 O ATOM 391 CB LEU A 28 3.345 1.182 2.917 1.00 0.00 C ATOM 392 CG LEU A 28 2.565 1.222 1.603 1.00 0.00 C ATOM 393 CD1 LEU A 28 2.436 2.654 1.109 1.00 0.00 C ATOM 394 CD2 LEU A 28 3.239 0.351 0.553 1.00 0.00 C ATOM 0 H LEU A 28 1.604 -0.073 4.214 1.00 0.00 H new ATOM 0 HA LEU A 28 3.975 -0.869 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.816 1.788 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.317 1.650 2.758 1.00 0.00 H new ATOM 0 HG LEU A 28 1.565 0.827 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.878 2.667 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.908 3.250 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.429 3.073 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.669 0.393 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.251 0.714 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.281 -0.679 0.907 1.00 0.00 H new ATOM 406 N GLU A 29 4.057 0.033 5.867 1.00 0.00 N ATOM 407 CA GLU A 29 4.903 0.119 7.049 1.00 0.00 C ATOM 408 C GLU A 29 5.409 -1.261 7.456 1.00 0.00 C ATOM 409 O GLU A 29 6.605 -1.458 7.671 1.00 0.00 O ATOM 410 CB GLU A 29 4.133 0.756 8.209 1.00 0.00 C ATOM 411 CG GLU A 29 3.772 2.214 7.972 1.00 0.00 C ATOM 412 CD GLU A 29 4.992 3.105 7.843 1.00 0.00 C ATOM 413 OE1 GLU A 29 5.480 3.598 8.881 1.00 0.00 O ATOM 414 OE2 GLU A 29 5.460 3.311 6.703 1.00 0.00 O ATOM 0 H GLU A 29 3.059 0.120 6.057 1.00 0.00 H new ATOM 0 HA GLU A 29 5.762 0.745 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.219 0.188 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.732 0.682 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.172 2.293 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.153 2.569 8.796 1.00 0.00 H new ATOM 421 N ILE A 30 4.486 -2.213 7.563 1.00 0.00 N ATOM 422 CA ILE A 30 4.833 -3.579 7.937 1.00 0.00 C ATOM 423 C ILE A 30 5.767 -4.210 6.911 1.00 0.00 C ATOM 424 O ILE A 30 6.728 -4.893 7.268 1.00 0.00 O ATOM 425 CB ILE A 30 3.575 -4.454 8.080 1.00 0.00 C ATOM 426 CG1 ILE A 30 2.633 -3.843 9.117 1.00 0.00 C ATOM 427 CG2 ILE A 30 3.971 -5.868 8.479 1.00 0.00 C ATOM 428 CD1 ILE A 30 1.303 -4.560 9.234 1.00 0.00 C ATOM 0 H ILE A 30 3.491 -2.062 7.396 1.00 0.00 H new ATOM 0 HA ILE A 30 5.342 -3.526 8.899 1.00 0.00 H new ATOM 0 HB ILE A 30 3.054 -4.498 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.125 -3.849 10.090 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.451 -2.800 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.076 -6.482 8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.620 -6.294 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.501 -5.842 9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.690 -4.068 9.989 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.788 -4.531 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.473 -5.597 9.524 1.00 0.00 H new ATOM 440 N ALA A 31 5.480 -3.974 5.635 1.00 0.00 N ATOM 441 CA ALA A 31 6.292 -4.519 4.554 1.00 0.00 C ATOM 442 C ALA A 31 7.601 -3.750 4.409 1.00 0.00 C ATOM 443 O ALA A 31 8.345 -3.959 3.451 1.00 0.00 O ATOM 444 CB ALA A 31 5.516 -4.483 3.248 1.00 0.00 C ATOM 0 H ALA A 31 4.690 -3.408 5.324 1.00 0.00 H new ATOM 0 HA ALA A 31 6.532 -5.554 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.132 -4.892 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.608 -5.078 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.250 -3.453 3.011 1.00 0.00 H new ATOM 450 N GLN A 32 7.867 -2.860 5.366 1.00 0.00 N ATOM 451 CA GLN A 32 9.080 -2.043 5.363 1.00 0.00 C ATOM 452 C GLN A 32 9.047 -1.019 4.230 1.00 0.00 C ATOM 453 O GLN A 32 8.861 0.174 4.467 1.00 0.00 O ATOM 454 CB GLN A 32 10.333 -2.919 5.255 1.00 0.00 C ATOM 455 CG GLN A 32 10.528 -3.853 6.438 1.00 0.00 C ATOM 456 CD GLN A 32 11.763 -4.720 6.295 1.00 0.00 C ATOM 457 OE1 GLN A 32 12.853 -4.345 6.726 1.00 0.00 O ATOM 458 NE2 GLN A 32 11.596 -5.888 5.687 1.00 0.00 N ATOM 0 H GLN A 32 7.251 -2.686 6.160 1.00 0.00 H new ATOM 0 HA GLN A 32 9.119 -1.505 6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.274 -3.511 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.208 -2.276 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.605 -3.265 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.650 -4.491 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.674 -6.158 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.390 -6.516 5.561 1.00 0.00 H new ATOM 467 N ASN A 33 9.225 -1.490 2.999 1.00 0.00 N ATOM 468 CA ASN A 33 9.212 -0.615 1.834 1.00 0.00 C ATOM 469 C ASN A 33 8.878 -1.404 0.571 1.00 0.00 C ATOM 470 O ASN A 33 9.155 -0.959 -0.543 1.00 0.00 O ATOM 471 CB ASN A 33 10.565 0.079 1.676 1.00 0.00 C ATOM 472 CG ASN A 33 11.711 -0.907 1.563 1.00 0.00 C ATOM 473 OD1 ASN A 33 12.067 -1.340 0.466 1.00 0.00 O ATOM 474 ND2 ASN A 33 12.295 -1.268 2.699 1.00 0.00 N ATOM 0 H ASN A 33 9.380 -2.475 2.784 1.00 0.00 H new ATOM 0 HA ASN A 33 8.442 0.142 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.544 0.711 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.736 0.734 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.071 -1.929 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.967 -0.884 3.585 1.00 0.00 H new ATOM 481 N ASN A 34 8.282 -2.579 0.757 1.00 0.00 N ATOM 482 CA ASN A 34 7.910 -3.437 -0.363 1.00 0.00 C ATOM 483 C ASN A 34 6.427 -3.298 -0.692 1.00 0.00 C ATOM 484 O ASN A 34 5.567 -3.560 0.149 1.00 0.00 O ATOM 485 CB ASN A 34 8.237 -4.896 -0.048 1.00 0.00 C ATOM 486 CG ASN A 34 9.722 -5.131 0.142 1.00 0.00 C ATOM 487 OD1 ASN A 34 10.458 -4.238 0.562 1.00 0.00 O ATOM 488 ND2 ASN A 34 10.173 -6.343 -0.166 1.00 0.00 N ATOM 0 H ASN A 34 8.046 -2.958 1.674 1.00 0.00 H new ATOM 0 HA ASN A 34 8.487 -3.121 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.707 -5.197 0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.873 -5.529 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.163 -6.561 -0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.529 -7.054 -0.511 1.00 0.00 H new ATOM 495 N VAL A 35 6.138 -2.884 -1.921 1.00 0.00 N ATOM 496 CA VAL A 35 4.758 -2.713 -2.367 1.00 0.00 C ATOM 497 C VAL A 35 4.222 -4.003 -2.981 1.00 0.00 C ATOM 498 O VAL A 35 3.021 -4.261 -2.944 1.00 0.00 O ATOM 499 CB VAL A 35 4.622 -1.542 -3.374 1.00 0.00 C ATOM 500 CG1 VAL A 35 5.933 -1.296 -4.099 1.00 0.00 C ATOM 501 CG2 VAL A 35 3.502 -1.796 -4.374 1.00 0.00 C ATOM 0 H VAL A 35 6.840 -2.660 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 35 4.162 -2.469 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 35 4.368 -0.648 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.812 -0.470 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.708 -1.047 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.222 -2.195 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.434 -0.956 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.712 -2.709 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.557 -1.906 -3.842 1.00 0.00 H new ATOM 511 N GLU A 36 5.117 -4.816 -3.534 1.00 0.00 N ATOM 512 CA GLU A 36 4.718 -6.079 -4.147 1.00 0.00 C ATOM 513 C GLU A 36 3.982 -6.959 -3.142 1.00 0.00 C ATOM 514 O GLU A 36 2.877 -7.432 -3.411 1.00 0.00 O ATOM 515 CB GLU A 36 5.935 -6.814 -4.702 1.00 0.00 C ATOM 516 CG GLU A 36 6.515 -6.170 -5.951 1.00 0.00 C ATOM 517 CD GLU A 36 7.170 -4.832 -5.672 1.00 0.00 C ATOM 518 OE1 GLU A 36 8.296 -4.823 -5.133 1.00 0.00 O ATOM 519 OE2 GLU A 36 6.555 -3.793 -5.992 1.00 0.00 O ATOM 0 H GLU A 36 6.118 -4.625 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 36 4.040 -5.856 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.706 -6.856 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.656 -7.843 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.249 -6.843 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.722 -6.035 -6.686 1.00 0.00 H new ATOM 526 N VAL A 37 4.598 -7.177 -1.983 1.00 0.00 N ATOM 527 CA VAL A 37 3.988 -7.988 -0.937 1.00 0.00 C ATOM 528 C VAL A 37 2.675 -7.359 -0.479 1.00 0.00 C ATOM 529 O VAL A 37 1.673 -8.051 -0.271 1.00 0.00 O ATOM 530 CB VAL A 37 4.930 -8.153 0.277 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.338 -6.798 0.829 1.00 0.00 C ATOM 532 CG2 VAL A 37 4.276 -9.003 1.356 1.00 0.00 C ATOM 0 H VAL A 37 5.517 -6.804 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 37 3.796 -8.975 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 37 5.831 -8.667 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.001 -6.938 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.857 -6.231 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.450 -6.251 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.957 -9.106 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.355 -8.524 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.047 -9.989 0.953 1.00 0.00 H new ATOM 542 N ALA A 38 2.686 -6.037 -0.338 1.00 0.00 N ATOM 543 CA ALA A 38 1.507 -5.301 0.084 1.00 0.00 C ATOM 544 C ALA A 38 0.397 -5.430 -0.949 1.00 0.00 C ATOM 545 O ALA A 38 -0.783 -5.428 -0.607 1.00 0.00 O ATOM 546 CB ALA A 38 1.860 -3.841 0.308 1.00 0.00 C ATOM 0 H ALA A 38 3.505 -5.454 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 38 1.148 -5.723 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.971 -3.296 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.625 -3.766 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.238 -3.412 -0.620 1.00 0.00 H new ATOM 552 N ARG A 39 0.788 -5.547 -2.216 1.00 0.00 N ATOM 553 CA ARG A 39 -0.170 -5.685 -3.306 1.00 0.00 C ATOM 554 C ARG A 39 -0.873 -7.032 -3.226 1.00 0.00 C ATOM 555 O ARG A 39 -2.075 -7.134 -3.473 1.00 0.00 O ATOM 556 CB ARG A 39 0.531 -5.540 -4.658 1.00 0.00 C ATOM 557 CG ARG A 39 0.811 -4.100 -5.050 1.00 0.00 C ATOM 558 CD ARG A 39 1.672 -4.025 -6.296 1.00 0.00 C ATOM 559 NE ARG A 39 1.029 -4.653 -7.448 1.00 0.00 N ATOM 560 CZ ARG A 39 1.671 -4.975 -8.566 1.00 0.00 C ATOM 561 NH1 ARG A 39 2.970 -4.731 -8.684 1.00 0.00 N ATOM 562 NH2 ARG A 39 1.015 -5.545 -9.569 1.00 0.00 N ATOM 0 H ARG A 39 1.764 -5.549 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.913 -4.893 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.472 -6.089 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.085 -6.003 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.130 -3.579 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.312 -3.588 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.886 -2.981 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.628 -4.512 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 39 0.031 -4.856 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.479 -4.295 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.460 -4.980 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.017 -5.736 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.509 -5.792 -10.427 1.00 0.00 H new ATOM 576 N SER A 40 -0.113 -8.065 -2.880 1.00 0.00 N ATOM 577 CA SER A 40 -0.663 -9.406 -2.756 1.00 0.00 C ATOM 578 C SER A 40 -1.709 -9.446 -1.649 1.00 0.00 C ATOM 579 O SER A 40 -2.740 -10.106 -1.778 1.00 0.00 O ATOM 580 CB SER A 40 0.450 -10.415 -2.464 1.00 0.00 C ATOM 581 OG SER A 40 1.409 -10.431 -3.507 1.00 0.00 O ATOM 0 H SER A 40 0.885 -7.998 -2.681 1.00 0.00 H new ATOM 0 HA SER A 40 -1.138 -9.674 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.937 -10.162 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.021 -11.410 -2.344 1.00 0.00 H new ATOM 0 HG SER A 40 1.878 -9.571 -3.534 1.00 0.00 H new ATOM 587 N ILE A 41 -1.436 -8.734 -0.560 1.00 0.00 N ATOM 588 CA ILE A 41 -2.357 -8.679 0.569 1.00 0.00 C ATOM 589 C ILE A 41 -3.490 -7.687 0.305 1.00 0.00 C ATOM 590 O ILE A 41 -4.593 -7.831 0.836 1.00 0.00 O ATOM 591 CB ILE A 41 -1.629 -8.283 1.870 1.00 0.00 C ATOM 592 CG1 ILE A 41 -0.405 -9.176 2.094 1.00 0.00 C ATOM 593 CG2 ILE A 41 -2.577 -8.363 3.059 1.00 0.00 C ATOM 594 CD1 ILE A 41 -0.732 -10.653 2.204 1.00 0.00 C ATOM 0 H ILE A 41 -0.584 -8.187 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.775 -9.679 0.688 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.288 -7.252 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.295 -9.029 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.103 -8.858 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.046 -8.080 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.415 -7.684 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.950 -9.382 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.187 -11.218 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.406 -10.815 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.211 -10.989 1.285 1.00 0.00 H new ATOM 606 N LEU A 42 -3.210 -6.685 -0.524 1.00 0.00 N ATOM 607 CA LEU A 42 -4.196 -5.663 -0.862 1.00 0.00 C ATOM 608 C LEU A 42 -5.259 -6.231 -1.801 1.00 0.00 C ATOM 609 O LEU A 42 -6.429 -5.849 -1.738 1.00 0.00 O ATOM 610 CB LEU A 42 -3.495 -4.463 -1.512 1.00 0.00 C ATOM 611 CG LEU A 42 -4.173 -3.097 -1.332 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.438 -3.007 -2.172 1.00 0.00 C ATOM 613 CD2 LEU A 42 -4.487 -2.835 0.135 1.00 0.00 C ATOM 0 H LEU A 42 -2.304 -6.559 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.691 -5.335 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.484 -4.398 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.401 -4.660 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.478 -2.330 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.901 -2.031 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.186 -3.138 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.134 -3.788 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.967 -1.861 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.157 -3.610 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.563 -2.846 0.712 1.00 0.00 H new