USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 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 1 LEU N :NH3+ -174:sc= 0 (180deg=-0.0338) USER MOD Single : A 6 SER OG : rot -140:sc= 1.24 USER MOD Single : A 10 SER OG : rot 180:sc= -0.196 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.608 (180deg=0.158) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 16.338 5.783 4.533 1.00 0.00 N ATOM 2 CA LEU A 1 15.548 5.258 3.425 1.00 0.00 C ATOM 3 C LEU A 1 14.137 5.781 3.507 1.00 0.00 C ATOM 4 O LEU A 1 13.528 5.775 4.584 1.00 0.00 O ATOM 5 CB LEU A 1 15.550 3.726 3.400 1.00 0.00 C ATOM 6 CG LEU A 1 16.893 3.064 3.115 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.789 1.558 3.258 1.00 0.00 C ATOM 8 CD2 LEU A 1 17.370 3.415 1.720 1.00 0.00 C ATOM 0 H1 LEU A 1 17.332 5.502 4.414 1.00 0.00 H new ATOM 0 H2 LEU A 1 16.271 6.821 4.546 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.975 5.401 5.430 1.00 0.00 H new ATOM 0 HA LEU A 1 16.006 5.599 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.187 3.366 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.836 3.394 2.646 1.00 0.00 H new ATOM 0 HG LEU A 1 17.615 3.436 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 1 17.758 1.105 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.482 1.309 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.051 1.176 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.330 2.935 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.641 3.067 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 1 17.482 4.496 1.635 1.00 0.00 H new ATOM 22 N PRO A 2 13.603 6.260 2.382 1.00 0.00 N ATOM 23 CA PRO A 2 12.263 6.830 2.318 1.00 0.00 C ATOM 24 C PRO A 2 11.174 5.781 2.424 1.00 0.00 C ATOM 25 O PRO A 2 11.190 4.754 1.726 1.00 0.00 O ATOM 26 CB PRO A 2 12.225 7.516 0.950 1.00 0.00 C ATOM 27 CG PRO A 2 13.210 6.758 0.119 1.00 0.00 C ATOM 28 CD PRO A 2 14.281 6.284 1.064 1.00 0.00 C ATOM 0 HA PRO A 2 12.075 7.508 3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.226 7.477 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.498 8.568 1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.731 5.916 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.632 7.393 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.651 5.297 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.138 6.957 1.067 1.00 0.00 H new ATOM 36 N ARG A 3 10.258 6.028 3.301 1.00 0.00 N ATOM 37 CA ARG A 3 9.127 5.175 3.484 1.00 0.00 C ATOM 38 C ARG A 3 7.924 5.919 2.958 1.00 0.00 C ATOM 39 O ARG A 3 8.021 7.102 2.644 1.00 0.00 O ATOM 40 CB ARG A 3 8.887 4.916 4.966 1.00 0.00 C ATOM 41 CG ARG A 3 10.070 4.411 5.769 1.00 0.00 C ATOM 42 CD ARG A 3 9.648 4.170 7.216 1.00 0.00 C ATOM 43 NE ARG A 3 9.046 5.376 7.832 1.00 0.00 N ATOM 44 CZ ARG A 3 7.787 5.456 8.314 1.00 0.00 C ATOM 45 NH1 ARG A 3 6.985 4.395 8.295 1.00 0.00 N ATOM 46 NH2 ARG A 3 7.345 6.586 8.824 1.00 0.00 N ATOM 0 H ARG A 3 10.273 6.839 3.920 1.00 0.00 H new ATOM 0 HA ARG A 3 9.295 4.227 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.537 5.843 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.079 4.191 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.450 3.487 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.882 5.137 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.931 3.350 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.516 3.861 7.799 1.00 0.00 H new ATOM 0 HE ARG A 3 9.628 6.211 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.319 3.510 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.036 4.467 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.954 7.404 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.394 6.644 9.187 1.00 0.00 H new ATOM 60 N CYS A 4 6.816 5.262 2.862 1.00 0.00 N ATOM 61 CA CYS A 4 5.583 5.931 2.506 1.00 0.00 C ATOM 62 C CYS A 4 4.862 6.349 3.781 1.00 0.00 C ATOM 63 O CYS A 4 4.054 7.288 3.777 1.00 0.00 O ATOM 64 CB CYS A 4 4.681 5.008 1.699 1.00 0.00 C ATOM 65 SG CYS A 4 5.396 4.411 0.145 1.00 0.00 S ATOM 0 H CYS A 4 6.726 4.259 3.023 1.00 0.00 H new ATOM 0 HA CYS A 4 5.818 6.805 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.420 4.148 2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.753 5.534 1.477 1.00 0.00 H new ATOM 70 N ASP A 5 5.204 5.649 4.873 1.00 0.00 N ATOM 71 CA ASP A 5 4.584 5.778 6.199 1.00 0.00 C ATOM 72 C ASP A 5 3.163 5.215 6.136 1.00 0.00 C ATOM 73 O ASP A 5 2.268 5.583 6.888 1.00 0.00 O ATOM 74 CB ASP A 5 4.642 7.235 6.750 1.00 0.00 C ATOM 75 CG ASP A 5 4.150 7.361 8.191 1.00 0.00 C ATOM 76 OD1 ASP A 5 3.254 8.194 8.466 1.00 0.00 O ATOM 77 OD2 ASP A 5 4.644 6.608 9.085 1.00 0.00 O ATOM 0 H ASP A 5 5.948 4.951 4.855 1.00 0.00 H new ATOM 0 HA ASP A 5 5.157 5.194 6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.669 7.596 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.040 7.881 6.111 1.00 0.00 H new ATOM 82 N SER A 6 2.989 4.269 5.251 1.00 0.00 N ATOM 83 CA SER A 6 1.727 3.616 5.066 1.00 0.00 C ATOM 84 C SER A 6 1.733 2.295 5.847 1.00 0.00 C ATOM 85 O SER A 6 2.458 1.363 5.491 1.00 0.00 O ATOM 86 CB SER A 6 1.522 3.362 3.578 1.00 0.00 C ATOM 87 OG SER A 6 1.698 4.570 2.843 1.00 0.00 O ATOM 0 H SER A 6 3.728 3.930 4.635 1.00 0.00 H new ATOM 0 HA SER A 6 0.911 4.238 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.229 2.610 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.522 2.964 3.404 1.00 0.00 H new ATOM 0 HG SER A 6 1.025 4.621 2.132 1.00 0.00 H new ATOM 93 N PRO A 7 0.960 2.203 6.945 1.00 0.00 N ATOM 94 CA PRO A 7 0.940 1.000 7.775 1.00 0.00 C ATOM 95 C PRO A 7 0.198 -0.152 7.101 1.00 0.00 C ATOM 96 O PRO A 7 0.455 -1.328 7.381 1.00 0.00 O ATOM 97 CB PRO A 7 0.217 1.449 9.054 1.00 0.00 C ATOM 98 CG PRO A 7 -0.609 2.630 8.652 1.00 0.00 C ATOM 99 CD PRO A 7 0.074 3.267 7.470 1.00 0.00 C ATOM 0 HA PRO A 7 1.943 0.616 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.408 0.650 9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.929 1.716 9.835 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.621 2.321 8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.694 3.339 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.648 3.590 6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.643 4.149 7.766 1.00 0.00 H new ATOM 107 N PHE A 8 -0.693 0.186 6.204 1.00 0.00 N ATOM 108 CA PHE A 8 -1.485 -0.776 5.497 1.00 0.00 C ATOM 109 C PHE A 8 -1.958 -0.139 4.221 1.00 0.00 C ATOM 110 O PHE A 8 -1.643 1.025 3.956 1.00 0.00 O ATOM 111 CB PHE A 8 -2.707 -1.220 6.347 1.00 0.00 C ATOM 112 CG PHE A 8 -3.710 -0.121 6.662 1.00 0.00 C ATOM 113 CD1 PHE A 8 -3.584 0.647 7.804 1.00 0.00 C ATOM 114 CD2 PHE A 8 -4.775 0.135 5.803 1.00 0.00 C ATOM 115 CE1 PHE A 8 -4.490 1.649 8.081 1.00 0.00 C ATOM 116 CE2 PHE A 8 -5.679 1.134 6.078 1.00 0.00 C ATOM 117 CZ PHE A 8 -5.538 1.892 7.219 1.00 0.00 C ATOM 0 H PHE A 8 -0.888 1.153 5.944 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.885 -1.661 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.224 -2.022 5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.344 -1.638 7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.768 0.461 8.486 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.893 -0.459 4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.378 2.245 8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.498 1.324 5.400 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.248 2.676 7.438 1.00 0.00 H new ATOM 127 N CYS A 9 -2.700 -0.881 3.452 1.00 0.00 N ATOM 128 CA CYS A 9 -3.323 -0.402 2.255 1.00 0.00 C ATOM 129 C CYS A 9 -4.444 -1.384 1.963 1.00 0.00 C ATOM 130 O CYS A 9 -4.540 -2.414 2.646 1.00 0.00 O ATOM 131 CB CYS A 9 -2.292 -0.360 1.123 1.00 0.00 C ATOM 132 SG CYS A 9 -2.824 0.471 -0.423 1.00 0.00 S ATOM 0 H CYS A 9 -2.893 -1.863 3.647 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.716 0.610 2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.398 0.142 1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.006 -1.384 0.881 1.00 0.00 H new ATOM 137 N SER A 10 -5.312 -1.083 1.049 1.00 0.00 N ATOM 138 CA SER A 10 -6.416 -1.969 0.709 1.00 0.00 C ATOM 139 C SER A 10 -6.838 -1.650 -0.709 1.00 0.00 C ATOM 140 O SER A 10 -6.401 -0.651 -1.239 1.00 0.00 O ATOM 141 CB SER A 10 -7.590 -1.752 1.684 1.00 0.00 C ATOM 142 OG SER A 10 -7.183 -1.961 3.037 1.00 0.00 O ATOM 0 H SER A 10 -5.288 -0.218 0.508 1.00 0.00 H new ATOM 0 HA SER A 10 -6.109 -3.012 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.978 -0.740 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.403 -2.435 1.436 1.00 0.00 H new ATOM 0 HG SER A 10 -7.946 -1.815 3.634 1.00 0.00 H new ATOM 148 N LEU A 11 -7.689 -2.465 -1.323 1.00 0.00 N ATOM 149 CA LEU A 11 -8.102 -2.177 -2.693 1.00 0.00 C ATOM 150 C LEU A 11 -9.027 -0.969 -2.743 1.00 0.00 C ATOM 151 O LEU A 11 -9.051 -0.243 -3.720 1.00 0.00 O ATOM 152 CB LEU A 11 -8.773 -3.370 -3.410 1.00 0.00 C ATOM 153 CG LEU A 11 -10.142 -3.827 -2.894 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.857 -4.624 -3.959 1.00 0.00 C ATOM 155 CD2 LEU A 11 -10.002 -4.684 -1.668 1.00 0.00 C ATOM 0 H LEU A 11 -8.096 -3.305 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.178 -1.963 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.880 -3.112 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.093 -4.220 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.714 -2.934 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.829 -4.944 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.997 -4.004 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.262 -5.500 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.990 -4.993 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.408 -5.566 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.506 -4.115 -0.881 1.00 0.00 H new ATOM 167 N PHE A 12 -9.788 -0.757 -1.681 1.00 0.00 N ATOM 168 CA PHE A 12 -10.698 0.374 -1.637 1.00 0.00 C ATOM 169 C PHE A 12 -9.987 1.593 -1.082 1.00 0.00 C ATOM 170 O PHE A 12 -10.448 2.719 -1.231 1.00 0.00 O ATOM 171 CB PHE A 12 -11.936 0.067 -0.789 1.00 0.00 C ATOM 172 CG PHE A 12 -12.688 -1.164 -1.210 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.853 -2.225 -0.334 1.00 0.00 C ATOM 174 CD2 PHE A 12 -13.228 -1.265 -2.480 1.00 0.00 C ATOM 175 CE1 PHE A 12 -13.543 -3.356 -0.715 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.916 -2.395 -2.866 1.00 0.00 C ATOM 177 CZ PHE A 12 -14.074 -3.441 -1.983 1.00 0.00 C ATOM 0 H PHE A 12 -9.794 -1.346 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.027 0.575 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.630 -0.047 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.611 0.922 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.436 -2.165 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.109 -0.449 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.667 -4.174 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.331 -2.461 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.614 -4.326 -2.285 1.00 0.00 H new ATOM 187 N ARG A 13 -8.866 1.361 -0.438 1.00 0.00 N ATOM 188 CA ARG A 13 -8.090 2.427 0.146 1.00 0.00 C ATOM 189 C ARG A 13 -6.685 2.328 -0.399 1.00 0.00 C ATOM 190 O ARG A 13 -5.783 1.787 0.249 1.00 0.00 O ATOM 191 CB ARG A 13 -8.066 2.332 1.690 1.00 0.00 C ATOM 192 CG ARG A 13 -9.438 2.228 2.350 1.00 0.00 C ATOM 193 CD ARG A 13 -10.312 3.422 2.030 1.00 0.00 C ATOM 194 NE ARG A 13 -11.666 3.263 2.560 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.727 3.990 2.182 1.00 0.00 C ATOM 196 NH1 ARG A 13 -12.593 4.967 1.282 1.00 0.00 N ATOM 197 NH2 ARG A 13 -13.919 3.742 2.712 1.00 0.00 N ATOM 0 H ARG A 13 -8.469 0.431 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.541 3.385 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.475 1.462 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.555 3.210 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.933 1.316 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.316 2.147 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.862 4.323 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.359 3.559 0.950 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.814 2.546 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.678 5.165 0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.405 5.515 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.025 3.000 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.729 4.293 2.427 1.00 0.00 H new ATOM 211 N ILE A 14 -6.518 2.808 -1.607 1.00 0.00 N ATOM 212 CA ILE A 14 -5.240 2.729 -2.300 1.00 0.00 C ATOM 213 C ILE A 14 -4.504 4.042 -2.199 1.00 0.00 C ATOM 214 O ILE A 14 -3.387 4.182 -2.689 1.00 0.00 O ATOM 215 CB ILE A 14 -5.386 2.331 -3.794 1.00 0.00 C ATOM 216 CG1 ILE A 14 -6.361 3.268 -4.515 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.809 0.877 -3.931 1.00 0.00 C ATOM 218 CD1 ILE A 14 -6.500 3.007 -5.992 1.00 0.00 C ATOM 0 H ILE A 14 -7.257 3.264 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.670 1.942 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.411 2.436 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.342 3.179 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.031 4.297 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.904 0.624 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.059 0.235 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.768 0.729 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.209 3.715 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.530 3.126 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.862 1.991 -6.149 1.00 0.00 H new ATOM 230 N GLY A 15 -5.138 5.005 -1.546 1.00 0.00 N ATOM 231 CA GLY A 15 -4.530 6.304 -1.325 1.00 0.00 C ATOM 232 C GLY A 15 -3.378 6.211 -0.355 1.00 0.00 C ATOM 233 O GLY A 15 -2.566 7.133 -0.243 1.00 0.00 O ATOM 0 H GLY A 15 -6.077 4.908 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.178 6.709 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.278 6.997 -0.940 1.00 0.00 H new ATOM 237 N LEU A 16 -3.322 5.096 0.360 1.00 0.00 N ATOM 238 CA LEU A 16 -2.231 4.804 1.260 1.00 0.00 C ATOM 239 C LEU A 16 -0.953 4.598 0.470 1.00 0.00 C ATOM 240 O LEU A 16 0.090 5.146 0.808 1.00 0.00 O ATOM 241 CB LEU A 16 -2.517 3.564 2.139 1.00 0.00 C ATOM 242 CG LEU A 16 -3.517 3.711 3.315 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.053 4.770 4.300 1.00 0.00 C ATOM 244 CD2 LEU A 16 -4.934 3.993 2.837 1.00 0.00 C ATOM 0 H LEU A 16 -4.038 4.370 0.327 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.118 5.658 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.885 2.772 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.567 3.222 2.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.540 2.751 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.774 4.851 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.080 4.490 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.972 5.730 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.596 4.088 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.947 4.921 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.275 3.173 2.205 1.00 0.00 H new ATOM 256 N CYS A 17 -1.033 3.856 -0.603 1.00 0.00 N ATOM 257 CA CYS A 17 0.134 3.613 -1.407 1.00 0.00 C ATOM 258 C CYS A 17 -0.142 3.969 -2.843 1.00 0.00 C ATOM 259 O CYS A 17 -0.659 3.156 -3.627 1.00 0.00 O ATOM 260 CB CYS A 17 0.598 2.173 -1.305 1.00 0.00 C ATOM 261 SG CYS A 17 0.705 1.559 0.403 1.00 0.00 S ATOM 0 H CYS A 17 -1.888 3.412 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 17 0.935 4.246 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.087 1.539 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.576 2.082 -1.777 1.00 0.00 H new ATOM 266 N GLY A 18 0.122 5.188 -3.159 1.00 0.00 N ATOM 267 CA GLY A 18 -0.023 5.666 -4.481 1.00 0.00 C ATOM 268 C GLY A 18 1.113 6.566 -4.776 1.00 0.00 C ATOM 269 O GLY A 18 1.535 7.314 -3.883 1.00 0.00 O ATOM 0 H GLY A 18 0.449 5.888 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.042 4.835 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.968 6.198 -4.591 1.00 0.00 H new ATOM 273 N ASP A 19 1.688 6.429 -5.966 1.00 0.00 N ATOM 274 CA ASP A 19 2.803 7.231 -6.460 1.00 0.00 C ATOM 275 C ASP A 19 4.139 6.865 -5.831 1.00 0.00 C ATOM 276 O ASP A 19 5.201 7.028 -6.435 1.00 0.00 O ATOM 277 CB ASP A 19 2.479 8.709 -6.310 1.00 0.00 C ATOM 278 CG ASP A 19 3.645 9.639 -6.551 1.00 0.00 C ATOM 279 OD1 ASP A 19 4.171 10.219 -5.557 1.00 0.00 O ATOM 280 OD2 ASP A 19 4.047 9.828 -7.720 1.00 0.00 O ATOM 0 H ASP A 19 1.378 5.729 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 19 2.926 7.004 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.679 8.964 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.095 8.883 -5.305 1.00 0.00 H new ATOM 285 N LYS A 20 4.081 6.332 -4.658 1.00 0.00 N ATOM 286 CA LYS A 20 5.261 6.044 -3.885 1.00 0.00 C ATOM 287 C LYS A 20 5.493 4.546 -3.679 1.00 0.00 C ATOM 288 O LYS A 20 6.627 4.075 -3.754 1.00 0.00 O ATOM 289 CB LYS A 20 5.160 6.792 -2.568 1.00 0.00 C ATOM 290 CG LYS A 20 4.937 8.271 -2.806 1.00 0.00 C ATOM 291 CD LYS A 20 4.780 9.049 -1.533 1.00 0.00 C ATOM 292 CE LYS A 20 4.552 10.536 -1.822 1.00 0.00 C ATOM 293 NZ LYS A 20 3.400 10.776 -2.730 1.00 0.00 N ATOM 0 H LYS A 20 3.208 6.078 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 20 6.136 6.385 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.339 6.386 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.073 6.645 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.778 8.674 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.047 8.405 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.940 8.653 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.670 8.927 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.384 11.062 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.453 10.957 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.088 11.764 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.687 10.590 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.617 10.142 -2.472 1.00 0.00 H new ATOM 307 N CYS A 21 4.439 3.800 -3.450 1.00 0.00 N ATOM 308 CA CYS A 21 4.548 2.384 -3.220 1.00 0.00 C ATOM 309 C CYS A 21 3.305 1.700 -3.734 1.00 0.00 C ATOM 310 O CYS A 21 2.329 2.381 -4.070 1.00 0.00 O ATOM 311 CB CYS A 21 4.783 2.131 -1.734 1.00 0.00 C ATOM 312 SG CYS A 21 3.901 3.304 -0.658 1.00 0.00 S ATOM 0 H CYS A 21 3.485 4.159 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 21 5.398 1.968 -3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.467 1.117 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.851 2.191 -1.527 1.00 0.00 H new ATOM 317 N THR A 22 3.314 0.401 -3.798 1.00 0.00 N ATOM 318 CA THR A 22 2.206 -0.331 -4.355 1.00 0.00 C ATOM 319 C THR A 22 1.691 -1.302 -3.300 1.00 0.00 C ATOM 320 O THR A 22 2.475 -1.802 -2.494 1.00 0.00 O ATOM 321 CB THR A 22 2.677 -1.105 -5.621 1.00 0.00 C ATOM 322 OG1 THR A 22 3.335 -0.187 -6.526 1.00 0.00 O ATOM 323 CG2 THR A 22 1.500 -1.750 -6.349 1.00 0.00 C ATOM 0 H THR A 22 4.083 -0.182 -3.468 1.00 0.00 H new ATOM 0 HA THR A 22 1.407 0.351 -4.645 1.00 0.00 H new ATOM 0 HB THR A 22 3.362 -1.890 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.634 -0.672 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.863 -2.282 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.999 -2.451 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.796 -0.978 -6.658 1.00 0.00 H new ATOM 331 N CYS A 23 0.406 -1.527 -3.248 1.00 0.00 N ATOM 332 CA CYS A 23 -0.111 -2.460 -2.296 1.00 0.00 C ATOM 333 C CYS A 23 -0.857 -3.591 -2.967 1.00 0.00 C ATOM 334 O CYS A 23 -1.570 -3.390 -3.963 1.00 0.00 O ATOM 335 CB CYS A 23 -0.973 -1.777 -1.240 1.00 0.00 C ATOM 336 SG CYS A 23 -2.468 -0.922 -1.854 1.00 0.00 S ATOM 0 H CYS A 23 -0.290 -1.082 -3.846 1.00 0.00 H new ATOM 0 HA CYS A 23 0.747 -2.894 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.281 -2.527 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.356 -1.052 -0.710 1.00 0.00 H new ATOM 341 N VAL A 24 -0.657 -4.776 -2.446 1.00 0.00 N ATOM 342 CA VAL A 24 -1.315 -5.953 -2.930 1.00 0.00 C ATOM 343 C VAL A 24 -2.373 -6.410 -1.908 1.00 0.00 C ATOM 344 O VAL A 24 -2.036 -6.833 -0.805 1.00 0.00 O ATOM 345 CB VAL A 24 -0.288 -7.100 -3.271 1.00 0.00 C ATOM 346 CG1 VAL A 24 0.659 -7.402 -2.106 1.00 0.00 C ATOM 347 CG2 VAL A 24 -1.010 -8.366 -3.715 1.00 0.00 C ATOM 0 H VAL A 24 -0.024 -4.947 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.820 -5.712 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 24 0.323 -6.737 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.346 -8.199 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.227 -6.506 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.079 -7.717 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.278 -9.141 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.665 -8.711 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.604 -8.153 -4.604 1.00 0.00 H new ATOM 357 N PRO A 25 -3.666 -6.228 -2.231 1.00 0.00 N ATOM 358 CA PRO A 25 -4.763 -6.641 -1.357 1.00 0.00 C ATOM 359 C PRO A 25 -4.989 -8.151 -1.387 1.00 0.00 C ATOM 360 O PRO A 25 -4.998 -8.776 -2.464 1.00 0.00 O ATOM 361 CB PRO A 25 -5.973 -5.892 -1.919 1.00 0.00 C ATOM 362 CG PRO A 25 -5.656 -5.665 -3.358 1.00 0.00 C ATOM 363 CD PRO A 25 -4.157 -5.575 -3.467 1.00 0.00 C ATOM 0 HA PRO A 25 -4.563 -6.411 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.886 -6.476 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.130 -4.948 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.039 -6.481 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.125 -4.749 -3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.791 -6.083 -4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.823 -4.539 -3.531 1.00 0.00 H new ATOM 371 N LEU A 26 -5.158 -8.732 -0.219 1.00 0.00 N ATOM 372 CA LEU A 26 -5.368 -10.150 -0.089 1.00 0.00 C ATOM 373 C LEU A 26 -6.237 -10.493 1.152 1.00 0.00 C ATOM 374 O LEU A 26 -5.729 -10.586 2.270 1.00 0.00 O ATOM 375 CB LEU A 26 -4.015 -10.953 -0.071 1.00 0.00 C ATOM 376 CG LEU A 26 -3.011 -10.728 1.096 1.00 0.00 C ATOM 377 CD1 LEU A 26 -1.908 -11.767 1.035 1.00 0.00 C ATOM 378 CD2 LEU A 26 -2.384 -9.345 1.058 1.00 0.00 C ATOM 0 H LEU A 26 -5.153 -8.229 0.668 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.918 -10.463 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.264 -12.014 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.491 -10.733 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.574 -10.820 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.209 -11.604 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.342 -12.763 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.380 -11.682 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.691 -9.237 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.845 -9.216 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.165 -8.589 1.135 1.00 0.00 H new ATOM 390 N PRO A 27 -7.581 -10.571 1.002 1.00 0.00 N ATOM 391 CA PRO A 27 -8.306 -10.196 -0.215 1.00 0.00 C ATOM 392 C PRO A 27 -8.635 -8.692 -0.245 1.00 0.00 C ATOM 393 O PRO A 27 -8.517 -8.041 -1.287 1.00 0.00 O ATOM 394 CB PRO A 27 -9.622 -11.007 -0.116 1.00 0.00 C ATOM 395 CG PRO A 27 -9.478 -11.860 1.107 1.00 0.00 C ATOM 396 CD PRO A 27 -8.487 -11.160 1.981 1.00 0.00 C ATOM 0 HA PRO A 27 -7.722 -10.398 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.485 -10.346 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.773 -11.619 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.434 -11.977 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.131 -12.860 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.959 -10.403 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.973 -11.851 2.649 1.00 0.00 H new ATOM 404 N ILE A 28 -9.028 -8.139 0.902 1.00 0.00 N ATOM 405 CA ILE A 28 -9.407 -6.736 0.982 1.00 0.00 C ATOM 406 C ILE A 28 -8.238 -5.922 1.509 1.00 0.00 C ATOM 407 O ILE A 28 -7.792 -4.947 0.877 1.00 0.00 O ATOM 408 CB ILE A 28 -10.656 -6.520 1.898 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.854 -7.372 1.419 1.00 0.00 C ATOM 410 CG2 ILE A 28 -11.044 -5.039 1.969 1.00 0.00 C ATOM 411 CD1 ILE A 28 -12.330 -7.085 0.006 1.00 0.00 C ATOM 0 H ILE A 28 -9.091 -8.644 1.786 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.672 -6.404 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.385 -6.848 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.580 -8.425 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.687 -7.216 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.915 -4.922 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.212 -4.464 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.281 -4.677 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.172 -7.734 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.642 -6.043 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.518 -7.271 -0.696 1.00 0.00 H new ATOM 423 N PHE A 29 -7.739 -6.343 2.643 1.00 0.00 N ATOM 424 CA PHE A 29 -6.600 -5.735 3.282 1.00 0.00 C ATOM 425 C PHE A 29 -5.370 -6.106 2.486 1.00 0.00 C ATOM 426 O PHE A 29 -5.251 -7.241 2.026 1.00 0.00 O ATOM 427 CB PHE A 29 -6.491 -6.262 4.728 1.00 0.00 C ATOM 428 CG PHE A 29 -5.343 -5.712 5.541 1.00 0.00 C ATOM 429 CD1 PHE A 29 -5.514 -4.585 6.322 1.00 0.00 C ATOM 430 CD2 PHE A 29 -4.103 -6.336 5.532 1.00 0.00 C ATOM 431 CE1 PHE A 29 -4.471 -4.088 7.078 1.00 0.00 C ATOM 432 CE2 PHE A 29 -3.056 -5.844 6.280 1.00 0.00 C ATOM 433 CZ PHE A 29 -3.239 -4.720 7.057 1.00 0.00 C ATOM 0 H PHE A 29 -8.122 -7.135 3.159 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.701 -4.650 3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.422 -6.036 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.400 -7.348 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.473 -4.088 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.957 -7.220 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.616 -3.207 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.095 -6.337 6.258 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.423 -4.333 7.649 1.00 0.00 H new ATOM 443 N GLY A 30 -4.486 -5.180 2.298 1.00 0.00 N ATOM 444 CA GLY A 30 -3.335 -5.457 1.532 1.00 0.00 C ATOM 445 C GLY A 30 -2.098 -4.918 2.147 1.00 0.00 C ATOM 446 O GLY A 30 -2.144 -3.966 2.935 1.00 0.00 O ATOM 0 H GLY A 30 -4.547 -4.231 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.235 -6.536 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.456 -5.033 0.535 1.00 0.00 H new ATOM 450 N LEU A 31 -1.002 -5.505 1.789 1.00 0.00 N ATOM 451 CA LEU A 31 0.273 -5.074 2.276 1.00 0.00 C ATOM 452 C LEU A 31 0.899 -4.160 1.272 1.00 0.00 C ATOM 453 O LEU A 31 0.736 -4.348 0.056 1.00 0.00 O ATOM 454 CB LEU A 31 1.186 -6.259 2.556 1.00 0.00 C ATOM 455 CG LEU A 31 0.725 -7.207 3.655 1.00 0.00 C ATOM 456 CD1 LEU A 31 1.699 -8.347 3.799 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.574 -6.465 4.978 1.00 0.00 C ATOM 0 H LEU A 31 -0.963 -6.299 1.149 1.00 0.00 H new ATOM 0 HA LEU A 31 0.128 -4.542 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.301 -6.830 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.173 -5.879 2.821 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.249 -7.611 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.359 -9.018 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.761 -8.894 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.683 -7.955 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.244 -7.161 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.533 -6.033 5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.163 -5.670 4.867 1.00 0.00 H new ATOM 469 N CYS A 32 1.567 -3.175 1.757 1.00 0.00 N ATOM 470 CA CYS A 32 2.190 -2.209 0.925 1.00 0.00 C ATOM 471 C CYS A 32 3.651 -2.559 0.773 1.00 0.00 C ATOM 472 O CYS A 32 4.261 -3.117 1.697 1.00 0.00 O ATOM 473 CB CYS A 32 2.044 -0.841 1.548 1.00 0.00 C ATOM 474 SG CYS A 32 2.432 0.516 0.432 1.00 0.00 S ATOM 0 H CYS A 32 1.698 -3.015 2.756 1.00 0.00 H new ATOM 0 HA CYS A 32 1.718 -2.202 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.021 -0.723 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.695 -0.779 2.420 1.00 0.00 H new ATOM 479 N VAL A 33 4.199 -2.282 -0.373 1.00 0.00 N ATOM 480 CA VAL A 33 5.573 -2.556 -0.635 1.00 0.00 C ATOM 481 C VAL A 33 6.141 -1.509 -1.600 1.00 0.00 C ATOM 482 O VAL A 33 5.500 -1.161 -2.606 1.00 0.00 O ATOM 483 CB VAL A 33 5.771 -4.016 -1.195 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.988 -4.256 -2.485 1.00 0.00 C ATOM 485 CG2 VAL A 33 7.246 -4.341 -1.391 1.00 0.00 C ATOM 0 H VAL A 33 3.699 -1.857 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 33 6.122 -2.496 0.305 1.00 0.00 H new ATOM 0 HB VAL A 33 5.368 -4.694 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.158 -5.276 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.924 -4.109 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.322 -3.554 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.347 -5.355 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.683 -3.637 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.766 -4.264 -0.436 1.00 0.00 H new ATOM 495 N PRO A 34 7.275 -0.899 -1.249 1.00 0.00 N ATOM 496 CA PRO A 34 7.981 -0.020 -2.157 1.00 0.00 C ATOM 497 C PRO A 34 8.701 -0.858 -3.218 1.00 0.00 C ATOM 498 O PRO A 34 9.575 -1.698 -2.896 1.00 0.00 O ATOM 499 CB PRO A 34 8.981 0.718 -1.260 1.00 0.00 C ATOM 500 CG PRO A 34 9.192 -0.178 -0.089 1.00 0.00 C ATOM 501 CD PRO A 34 7.928 -0.976 0.078 1.00 0.00 C ATOM 0 HA PRO A 34 7.329 0.671 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.917 0.906 -1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.590 1.687 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.046 -0.835 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.405 0.402 0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.142 -2.008 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.293 -0.559 0.860 1.00 0.00 H new ATOM 509 N ASP A 35 8.315 -0.687 -4.454 1.00 0.00 N ATOM 510 CA ASP A 35 8.890 -1.474 -5.532 1.00 0.00 C ATOM 511 C ASP A 35 10.198 -0.883 -5.984 1.00 0.00 C ATOM 512 O ASP A 35 11.215 -1.579 -6.059 1.00 0.00 O ATOM 513 CB ASP A 35 7.936 -1.588 -6.711 1.00 0.00 C ATOM 514 CG ASP A 35 8.511 -2.421 -7.833 1.00 0.00 C ATOM 515 OD1 ASP A 35 8.466 -3.678 -7.755 1.00 0.00 O ATOM 516 OD2 ASP A 35 9.021 -1.852 -8.810 1.00 0.00 O ATOM 0 H ASP A 35 7.607 -0.014 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 35 9.069 -2.476 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.998 -2.031 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.702 -0.591 -7.084 1.00 0.00 H new ATOM 521 N VAL A 36 10.183 0.385 -6.248 1.00 0.00 N ATOM 522 CA VAL A 36 11.352 1.080 -6.695 1.00 0.00 C ATOM 523 C VAL A 36 11.994 1.848 -5.551 1.00 0.00 C ATOM 524 O VAL A 36 11.406 2.835 -5.063 1.00 0.00 O ATOM 525 CB VAL A 36 11.093 1.982 -7.946 1.00 0.00 C ATOM 526 CG1 VAL A 36 10.861 1.107 -9.165 1.00 0.00 C ATOM 527 CG2 VAL A 36 9.883 2.897 -7.747 1.00 0.00 C ATOM 528 OXT VAL A 36 13.098 1.454 -5.109 1.00 0.00 O ATOM 0 H VAL A 36 9.354 0.973 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 36 12.062 0.324 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 36 11.973 2.609 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.681 1.737 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.740 0.488 -9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.995 0.467 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.737 3.507 -8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.994 2.291 -7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.055 3.546 -6.888 1.00 0.00 H new TER 538 VAL A 36