USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 432 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= 0.437 (180deg=0.0702) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 0.633 (180deg=-0.038) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.25 X(o=-5.2,f=-4.8!) USER MOD Single : A 33 THR OG1 : rot 116:sc= 1.07 USER MOD Single : A 39 ASN : amide:sc= -2.23 K(o=-2.2,f=-3.4!) USER MOD Single : A 42 CYS SG : rot 53:sc= -2.67! USER MOD Single : A 51 ASN : amide:sc= -0.92 X(o=-0.92,f=-0.56) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0.341 K(o=0.34,f=-0.53) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.888 3.383 -3.236 1.00 0.00 N ATOM 26 CA PHE A 3 7.189 4.816 -3.217 1.00 0.00 C ATOM 27 C PHE A 3 8.522 5.038 -3.945 1.00 0.00 C ATOM 28 O PHE A 3 9.573 4.535 -3.510 1.00 0.00 O ATOM 29 CB PHE A 3 7.265 5.346 -1.759 1.00 0.00 C ATOM 30 CG PHE A 3 6.031 5.043 -0.917 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.868 5.799 -1.054 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.033 4.001 0.012 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.750 5.521 -0.293 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.915 3.725 0.773 1.00 0.00 C ATOM 35 CZ PHE A 3 3.775 4.484 0.622 1.00 0.00 C ATOM 0 HA PHE A 3 6.394 5.366 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.138 4.912 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.417 6.425 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.841 6.612 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.923 3.402 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.855 6.114 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.934 2.914 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.901 4.269 1.218 1.00 0.00 H new ATOM 45 N VAL A 4 8.462 5.761 -5.072 1.00 0.00 N ATOM 46 CA VAL A 4 9.635 6.019 -5.902 1.00 0.00 C ATOM 47 C VAL A 4 10.478 7.153 -5.287 1.00 0.00 C ATOM 48 O VAL A 4 10.005 8.285 -5.115 1.00 0.00 O ATOM 49 CB VAL A 4 9.252 6.321 -7.406 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.274 7.523 -7.551 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.529 6.500 -8.273 1.00 0.00 C ATOM 0 H VAL A 4 7.602 6.179 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 4 10.238 5.111 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 4 8.709 5.453 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.047 7.683 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.352 7.309 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.737 8.420 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.243 6.707 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.118 7.332 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.124 5.587 -8.238 1.00 0.00 H new ATOM 61 N VAL A 5 11.697 6.795 -4.878 1.00 0.00 N ATOM 62 CA VAL A 5 12.725 7.739 -4.421 1.00 0.00 C ATOM 63 C VAL A 5 13.704 8.022 -5.574 1.00 0.00 C ATOM 64 O VAL A 5 14.149 7.107 -6.252 1.00 0.00 O ATOM 65 CB VAL A 5 13.471 7.217 -3.121 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.752 5.694 -3.170 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.775 8.018 -2.835 1.00 0.00 C ATOM 0 H VAL A 5 12.005 5.823 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 5 12.243 8.674 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 5 12.787 7.391 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.264 5.389 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.810 5.153 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.381 5.468 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.253 7.627 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.456 7.919 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.531 9.070 -2.687 1.00 0.00 H new ATOM 77 N GLU A 6 13.966 9.313 -5.824 1.00 0.00 N ATOM 78 CA GLU A 6 14.977 9.766 -6.789 1.00 0.00 C ATOM 79 C GLU A 6 16.369 9.256 -6.369 1.00 0.00 C ATOM 80 O GLU A 6 16.990 8.460 -7.081 1.00 0.00 O ATOM 81 CB GLU A 6 14.966 11.319 -6.905 1.00 0.00 C ATOM 82 CG GLU A 6 15.860 11.894 -8.022 1.00 0.00 C ATOM 83 CD GLU A 6 15.425 11.438 -9.427 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.593 12.125 -10.062 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.906 10.387 -9.904 1.00 0.00 O ATOM 0 H GLU A 6 13.478 10.078 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 6 14.738 9.355 -7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.941 11.649 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.283 11.742 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.838 12.983 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.892 11.589 -7.849 1.00 0.00 H new ATOM 92 N LYS A 7 16.826 9.701 -5.183 1.00 0.00 N ATOM 93 CA LYS A 7 18.118 9.287 -4.611 1.00 0.00 C ATOM 94 C LYS A 7 18.207 9.665 -3.128 1.00 0.00 C ATOM 95 O LYS A 7 17.363 10.403 -2.596 1.00 0.00 O ATOM 96 CB LYS A 7 19.325 9.898 -5.384 1.00 0.00 C ATOM 97 CG LYS A 7 19.384 11.441 -5.417 1.00 0.00 C ATOM 98 CD LYS A 7 20.745 11.973 -5.938 1.00 0.00 C ATOM 99 CE LYS A 7 21.140 11.403 -7.317 1.00 0.00 C ATOM 100 NZ LYS A 7 20.133 11.695 -8.370 1.00 0.00 N ATOM 0 H LYS A 7 16.310 10.357 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 7 18.171 8.203 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.246 9.527 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.300 9.531 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.583 11.818 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.205 11.830 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.701 13.060 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.523 11.727 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.102 11.819 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.271 10.324 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.449 11.290 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.220 11.276 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.025 12.724 -8.471 1.00 0.00 H new ATOM 114 N VAL A 8 19.243 9.121 -2.479 1.00 0.00 N ATOM 115 CA VAL A 8 19.648 9.487 -1.121 1.00 0.00 C ATOM 116 C VAL A 8 20.333 10.866 -1.155 1.00 0.00 C ATOM 117 O VAL A 8 21.131 11.146 -2.055 1.00 0.00 O ATOM 118 CB VAL A 8 20.637 8.415 -0.524 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.090 8.802 0.909 1.00 0.00 C ATOM 120 CG2 VAL A 8 20.017 6.985 -0.568 1.00 0.00 C ATOM 0 H VAL A 8 19.834 8.400 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 8 18.763 9.526 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 8 21.528 8.400 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.771 8.043 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.599 9.766 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.219 8.870 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.724 6.269 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.096 6.970 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.797 6.716 -1.601 1.00 0.00 H new ATOM 130 N LEU A 9 19.985 11.729 -0.192 1.00 0.00 N ATOM 131 CA LEU A 9 20.558 13.080 -0.068 1.00 0.00 C ATOM 132 C LEU A 9 21.596 13.113 1.058 1.00 0.00 C ATOM 133 O LEU A 9 22.619 13.799 0.953 1.00 0.00 O ATOM 134 CB LEU A 9 19.450 14.133 0.207 1.00 0.00 C ATOM 135 CG LEU A 9 18.277 14.194 -0.823 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.329 15.382 -0.530 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.796 14.216 -2.281 1.00 0.00 C ATOM 0 H LEU A 9 19.295 11.511 0.527 1.00 0.00 H new ATOM 0 HA LEU A 9 21.043 13.328 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.029 13.936 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.917 15.117 0.251 1.00 0.00 H new ATOM 0 HG LEU A 9 17.694 13.280 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.524 15.395 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.906 15.273 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.888 16.316 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.950 14.259 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.428 15.092 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.376 13.313 -2.475 1.00 0.00 H new ATOM 149 N ASP A 10 21.325 12.353 2.138 1.00 0.00 N ATOM 150 CA ASP A 10 22.153 12.379 3.350 1.00 0.00 C ATOM 151 C ASP A 10 21.996 11.061 4.132 1.00 0.00 C ATOM 152 O ASP A 10 21.056 10.301 3.900 1.00 0.00 O ATOM 153 CB ASP A 10 21.783 13.620 4.215 1.00 0.00 C ATOM 154 CG ASP A 10 22.854 13.958 5.265 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.863 14.597 4.907 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.704 13.575 6.442 1.00 0.00 O ATOM 0 H ASP A 10 20.533 11.712 2.190 1.00 0.00 H new ATOM 0 HA ASP A 10 23.204 12.468 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.637 14.481 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.834 13.436 4.718 1.00 0.00 H new ATOM 161 N ARG A 11 22.939 10.800 5.042 1.00 0.00 N ATOM 162 CA ARG A 11 22.994 9.577 5.862 1.00 0.00 C ATOM 163 C ARG A 11 23.024 9.963 7.352 1.00 0.00 C ATOM 164 O ARG A 11 23.635 10.968 7.716 1.00 0.00 O ATOM 165 CB ARG A 11 24.274 8.777 5.493 1.00 0.00 C ATOM 166 CG ARG A 11 24.487 7.453 6.264 1.00 0.00 C ATOM 167 CD ARG A 11 25.830 6.785 5.914 1.00 0.00 C ATOM 168 NE ARG A 11 26.036 5.522 6.657 1.00 0.00 N ATOM 169 CZ ARG A 11 27.135 5.191 7.359 1.00 0.00 C ATOM 170 NH1 ARG A 11 28.170 6.017 7.445 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.200 4.011 7.957 1.00 0.00 N ATOM 0 H ARG A 11 23.705 11.445 5.237 1.00 0.00 H new ATOM 0 HA ARG A 11 22.116 8.960 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.245 8.554 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.140 9.417 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.449 7.649 7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.672 6.767 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.866 6.585 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.645 7.473 6.137 1.00 0.00 H new ATOM 0 HE ARG A 11 25.277 4.841 6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 28.141 6.921 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.994 5.748 7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.419 3.359 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.031 3.755 8.491 1.00 0.00 H new ATOM 185 N ARG A 12 22.363 9.158 8.195 1.00 0.00 N ATOM 186 CA ARG A 12 22.380 9.317 9.667 1.00 0.00 C ATOM 187 C ARG A 12 22.519 7.944 10.330 1.00 0.00 C ATOM 188 O ARG A 12 22.319 6.909 9.680 1.00 0.00 O ATOM 189 CB ARG A 12 21.073 10.013 10.164 1.00 0.00 C ATOM 190 CG ARG A 12 19.814 9.107 10.174 1.00 0.00 C ATOM 191 CD ARG A 12 18.523 9.865 10.511 1.00 0.00 C ATOM 192 NE ARG A 12 18.579 10.533 11.814 1.00 0.00 N ATOM 193 CZ ARG A 12 17.813 11.572 12.178 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.971 12.142 11.321 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.915 12.050 13.402 1.00 0.00 N ATOM 0 H ARG A 12 21.796 8.371 7.879 1.00 0.00 H new ATOM 0 HA ARG A 12 23.229 9.943 9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.240 10.389 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.876 10.878 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.706 8.636 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.957 8.306 10.900 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.330 10.607 9.736 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.685 9.168 10.501 1.00 0.00 H new ATOM 0 HE ARG A 12 19.251 10.181 12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.899 11.790 10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.397 12.931 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.571 11.630 14.060 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.338 12.840 13.691 1.00 0.00 H new ATOM 209 N VAL A 13 22.864 7.949 11.624 1.00 0.00 N ATOM 210 CA VAL A 13 22.819 6.754 12.472 1.00 0.00 C ATOM 211 C VAL A 13 21.922 7.072 13.681 1.00 0.00 C ATOM 212 O VAL A 13 22.310 7.844 14.565 1.00 0.00 O ATOM 213 CB VAL A 13 24.256 6.297 12.950 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.174 5.011 13.831 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.218 6.095 11.743 1.00 0.00 C ATOM 0 H VAL A 13 23.183 8.786 12.113 1.00 0.00 H new ATOM 0 HA VAL A 13 22.415 5.923 11.894 1.00 0.00 H new ATOM 0 HB VAL A 13 24.668 7.096 13.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.177 4.720 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.562 5.211 14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.726 4.202 13.254 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.197 5.781 12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.814 5.330 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.318 7.033 11.196 1.00 0.00 H new ATOM 225 N VAL A 14 20.705 6.504 13.678 1.00 0.00 N ATOM 226 CA VAL A 14 19.774 6.564 14.815 1.00 0.00 C ATOM 227 C VAL A 14 20.114 5.417 15.778 1.00 0.00 C ATOM 228 O VAL A 14 19.807 4.251 15.487 1.00 0.00 O ATOM 229 CB VAL A 14 18.264 6.463 14.361 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.293 6.453 15.581 1.00 0.00 C ATOM 231 CG2 VAL A 14 17.912 7.599 13.374 1.00 0.00 C ATOM 0 H VAL A 14 20.337 5.986 12.880 1.00 0.00 H new ATOM 0 HA VAL A 14 19.889 7.530 15.307 1.00 0.00 H new ATOM 0 HB VAL A 14 18.138 5.512 13.844 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.265 6.383 15.227 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.517 5.597 16.217 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.418 7.373 16.153 1.00 0.00 H new ATOM 0 HG21 VAL A 14 16.868 7.510 13.074 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.070 8.563 13.857 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.550 7.526 12.493 1.00 0.00 H new ATOM 241 N ASN A 15 20.793 5.781 16.881 1.00 0.00 N ATOM 242 CA ASN A 15 21.247 4.864 17.942 1.00 0.00 C ATOM 243 C ASN A 15 22.362 3.925 17.418 1.00 0.00 C ATOM 244 O ASN A 15 23.542 4.128 17.708 1.00 0.00 O ATOM 245 CB ASN A 15 20.056 4.076 18.568 1.00 0.00 C ATOM 246 CG ASN A 15 20.442 3.285 19.820 1.00 0.00 C ATOM 247 OD1 ASN A 15 20.859 2.130 19.739 1.00 0.00 O ATOM 248 ND2 ASN A 15 20.309 3.906 20.987 1.00 0.00 N ATOM 0 H ASN A 15 21.049 6.751 17.064 1.00 0.00 H new ATOM 0 HA ASN A 15 21.677 5.462 18.745 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.260 4.776 18.821 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.653 3.390 17.823 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.556 3.425 21.852 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.960 4.864 21.018 1.00 0.00 H new ATOM 255 N GLY A 16 21.972 2.911 16.630 1.00 0.00 N ATOM 256 CA GLY A 16 22.912 1.955 16.010 1.00 0.00 C ATOM 257 C GLY A 16 22.535 1.601 14.568 1.00 0.00 C ATOM 258 O GLY A 16 23.322 0.971 13.850 1.00 0.00 O ATOM 0 H GLY A 16 20.995 2.728 16.402 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.916 2.379 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.942 1.043 16.607 1.00 0.00 H new ATOM 262 N LYS A 17 21.325 2.014 14.139 1.00 0.00 N ATOM 263 CA LYS A 17 20.777 1.762 12.807 1.00 0.00 C ATOM 264 C LYS A 17 21.051 2.974 11.908 1.00 0.00 C ATOM 265 O LYS A 17 21.021 4.110 12.366 1.00 0.00 O ATOM 266 CB LYS A 17 19.238 1.482 12.933 1.00 0.00 C ATOM 267 CG LYS A 17 18.406 1.841 11.692 1.00 0.00 C ATOM 268 CD LYS A 17 16.880 1.828 11.942 1.00 0.00 C ATOM 269 CE LYS A 17 16.414 2.962 12.881 1.00 0.00 C ATOM 270 NZ LYS A 17 14.936 3.108 12.873 1.00 0.00 N ATOM 0 H LYS A 17 20.690 2.547 14.733 1.00 0.00 H new ATOM 0 HA LYS A 17 21.252 0.890 12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.094 0.424 13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.851 2.042 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.700 2.831 11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.640 1.138 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.360 1.917 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.596 0.868 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.754 2.757 13.896 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.874 3.901 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.615 3.444 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.659 3.795 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.497 2.188 12.667 1.00 0.00 H new ATOM 284 N VAL A 18 21.279 2.709 10.627 1.00 0.00 N ATOM 285 CA VAL A 18 21.510 3.743 9.604 1.00 0.00 C ATOM 286 C VAL A 18 20.209 4.012 8.832 1.00 0.00 C ATOM 287 O VAL A 18 19.550 3.081 8.361 1.00 0.00 O ATOM 288 CB VAL A 18 22.655 3.320 8.612 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.830 4.340 7.451 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.986 3.105 9.377 1.00 0.00 C ATOM 0 H VAL A 18 21.311 1.759 10.256 1.00 0.00 H new ATOM 0 HA VAL A 18 21.826 4.657 10.107 1.00 0.00 H new ATOM 0 HB VAL A 18 22.362 2.374 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.631 4.007 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.901 4.411 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.081 5.318 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.766 2.813 8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.274 4.031 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.855 2.319 10.121 1.00 0.00 H new ATOM 300 N GLU A 19 19.836 5.302 8.723 1.00 0.00 N ATOM 301 CA GLU A 19 18.706 5.750 7.892 1.00 0.00 C ATOM 302 C GLU A 19 19.215 6.751 6.846 1.00 0.00 C ATOM 303 O GLU A 19 20.158 7.504 7.100 1.00 0.00 O ATOM 304 CB GLU A 19 17.582 6.392 8.755 1.00 0.00 C ATOM 305 CG GLU A 19 17.108 5.527 9.942 1.00 0.00 C ATOM 306 CD GLU A 19 15.795 6.020 10.578 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.714 7.211 10.944 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.834 5.223 10.702 1.00 0.00 O ATOM 0 H GLU A 19 20.311 6.062 9.210 1.00 0.00 H new ATOM 0 HA GLU A 19 18.276 4.882 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.938 7.348 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.727 6.605 8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.974 4.500 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.888 5.511 10.704 1.00 0.00 H new ATOM 315 N TYR A 20 18.576 6.756 5.675 1.00 0.00 N ATOM 316 CA TYR A 20 18.959 7.594 4.530 1.00 0.00 C ATOM 317 C TYR A 20 17.820 8.576 4.207 1.00 0.00 C ATOM 318 O TYR A 20 16.651 8.179 4.204 1.00 0.00 O ATOM 319 CB TYR A 20 19.241 6.700 3.301 1.00 0.00 C ATOM 320 CG TYR A 20 20.377 5.674 3.498 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.119 4.396 4.016 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.701 5.973 3.149 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.131 3.472 4.171 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.711 5.043 3.298 1.00 0.00 C ATOM 325 CZ TYR A 20 22.416 3.795 3.809 1.00 0.00 C ATOM 326 OH TYR A 20 23.409 2.862 3.950 1.00 0.00 O ATOM 0 H TYR A 20 17.763 6.169 5.489 1.00 0.00 H new ATOM 0 HA TYR A 20 19.860 8.155 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.328 6.165 3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.489 7.339 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.111 4.131 4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.936 6.951 2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 20 20.913 2.495 4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.724 5.290 3.017 1.00 0.00 H new ATOM 0 HH TYR A 20 24.261 3.243 3.650 1.00 0.00 H new ATOM 336 N PHE A 21 18.167 9.851 3.954 1.00 0.00 N ATOM 337 CA PHE A 21 17.200 10.907 3.619 1.00 0.00 C ATOM 338 C PHE A 21 16.813 10.750 2.158 1.00 0.00 C ATOM 339 O PHE A 21 17.613 11.024 1.263 1.00 0.00 O ATOM 340 CB PHE A 21 17.829 12.304 3.885 1.00 0.00 C ATOM 341 CG PHE A 21 16.853 13.480 3.854 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.654 13.428 4.571 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.143 14.650 3.150 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.779 14.497 4.574 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.262 15.717 3.150 1.00 0.00 C ATOM 346 CZ PHE A 21 15.085 15.643 3.867 1.00 0.00 C ATOM 0 H PHE A 21 19.133 10.178 3.977 1.00 0.00 H new ATOM 0 HA PHE A 21 16.308 10.822 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.317 12.284 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.607 12.480 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.408 12.538 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.068 14.723 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.855 14.436 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.496 16.609 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.404 16.481 3.875 1.00 0.00 H new ATOM 356 N LEU A 22 15.603 10.274 1.925 1.00 0.00 N ATOM 357 CA LEU A 22 15.139 9.935 0.591 1.00 0.00 C ATOM 358 C LEU A 22 14.419 11.117 -0.041 1.00 0.00 C ATOM 359 O LEU A 22 13.379 11.558 0.471 1.00 0.00 O ATOM 360 CB LEU A 22 14.206 8.708 0.641 1.00 0.00 C ATOM 361 CG LEU A 22 14.828 7.374 1.178 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.882 6.199 0.898 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.247 7.106 0.612 1.00 0.00 C ATOM 0 H LEU A 22 14.912 10.111 2.658 1.00 0.00 H new ATOM 0 HA LEU A 22 16.007 9.690 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.347 8.958 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.828 8.527 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 22 14.948 7.480 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.325 5.277 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.928 6.374 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.720 6.110 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.629 6.169 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.198 7.038 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.912 7.922 0.895 1.00 0.00 H new ATOM 375 N LYS A 23 14.995 11.647 -1.133 1.00 0.00 N ATOM 376 CA LYS A 23 14.298 12.569 -2.012 1.00 0.00 C ATOM 377 C LYS A 23 13.355 11.727 -2.853 1.00 0.00 C ATOM 378 O LYS A 23 13.813 10.973 -3.697 1.00 0.00 O ATOM 379 CB LYS A 23 15.285 13.385 -2.914 1.00 0.00 C ATOM 380 CG LYS A 23 14.707 14.693 -3.533 1.00 0.00 C ATOM 381 CD LYS A 23 13.612 14.457 -4.603 1.00 0.00 C ATOM 382 CE LYS A 23 13.022 15.760 -5.167 1.00 0.00 C ATOM 383 NZ LYS A 23 14.074 16.703 -5.633 1.00 0.00 N ATOM 0 H LYS A 23 15.952 11.443 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 23 13.754 13.312 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.163 13.642 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.625 12.740 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.292 15.308 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.522 15.261 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.033 13.873 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.810 13.862 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.355 15.525 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.418 16.244 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.732 17.219 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.294 17.380 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.932 16.171 -5.881 1.00 0.00 H new ATOM 397 N TRP A 24 12.056 11.837 -2.597 1.00 0.00 N ATOM 398 CA TRP A 24 11.045 11.082 -3.332 1.00 0.00 C ATOM 399 C TRP A 24 10.854 11.691 -4.730 1.00 0.00 C ATOM 400 O TRP A 24 10.569 12.882 -4.852 1.00 0.00 O ATOM 401 CB TRP A 24 9.725 11.050 -2.542 1.00 0.00 C ATOM 402 CG TRP A 24 9.878 10.489 -1.150 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.882 11.190 0.018 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.078 9.113 -0.785 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.055 10.344 1.077 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.186 9.065 0.610 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.170 7.918 -1.508 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.366 7.879 1.307 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.363 6.736 -0.816 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.462 6.724 0.579 1.00 0.00 C ATOM 0 H TRP A 24 11.674 12.450 -1.877 1.00 0.00 H new ATOM 0 HA TRP A 24 11.379 10.052 -3.456 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.324 12.061 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.996 10.452 -3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.765 12.261 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.082 10.622 2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.092 7.919 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.428 7.868 2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.438 5.807 -1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.617 5.786 1.091 1.00 0.00 H new ATOM 421 N LYS A 25 11.038 10.858 -5.763 1.00 0.00 N ATOM 422 CA LYS A 25 11.031 11.281 -7.168 1.00 0.00 C ATOM 423 C LYS A 25 9.654 11.834 -7.591 1.00 0.00 C ATOM 424 O LYS A 25 9.565 12.922 -8.172 1.00 0.00 O ATOM 425 CB LYS A 25 11.443 10.082 -8.057 1.00 0.00 C ATOM 426 CG LYS A 25 11.553 10.400 -9.558 1.00 0.00 C ATOM 427 CD LYS A 25 12.062 9.206 -10.391 1.00 0.00 C ATOM 428 CE LYS A 25 12.140 9.534 -11.891 1.00 0.00 C ATOM 429 NZ LYS A 25 12.663 8.394 -12.659 1.00 0.00 N ATOM 0 H LYS A 25 11.198 9.858 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 25 11.747 12.093 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.404 9.703 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.716 9.281 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.576 10.706 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.226 11.246 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.049 8.911 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.400 8.353 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.149 9.800 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.781 10.403 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.704 8.645 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.618 8.157 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.037 7.573 -12.532 1.00 0.00 H new ATOM 443 N GLY A 26 8.594 11.077 -7.258 1.00 0.00 N ATOM 444 CA GLY A 26 7.219 11.438 -7.633 1.00 0.00 C ATOM 445 C GLY A 26 6.557 12.404 -6.648 1.00 0.00 C ATOM 446 O GLY A 26 5.381 12.745 -6.806 1.00 0.00 O ATOM 0 H GLY A 26 8.666 10.209 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.227 11.890 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.618 10.531 -7.701 1.00 0.00 H new ATOM 450 N PHE A 27 7.312 12.835 -5.616 1.00 0.00 N ATOM 451 CA PHE A 27 6.810 13.710 -4.533 1.00 0.00 C ATOM 452 C PHE A 27 7.746 14.917 -4.360 1.00 0.00 C ATOM 453 O PHE A 27 8.814 14.971 -4.967 1.00 0.00 O ATOM 454 CB PHE A 27 6.681 12.909 -3.211 1.00 0.00 C ATOM 455 CG PHE A 27 5.776 11.671 -3.318 1.00 0.00 C ATOM 456 CD1 PHE A 27 6.298 10.418 -3.682 1.00 0.00 C ATOM 457 CD2 PHE A 27 4.405 11.758 -3.072 1.00 0.00 C ATOM 458 CE1 PHE A 27 5.478 9.307 -3.792 1.00 0.00 C ATOM 459 CE2 PHE A 27 3.586 10.640 -3.181 1.00 0.00 C ATOM 460 CZ PHE A 27 4.124 9.418 -3.543 1.00 0.00 C ATOM 0 H PHE A 27 8.295 12.584 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 27 5.820 14.079 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.674 12.594 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.289 13.567 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.355 10.320 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.974 12.708 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.898 8.353 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.528 10.726 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.486 8.551 -3.631 1.00 0.00 H new ATOM 470 N THR A 28 7.326 15.892 -3.542 1.00 0.00 N ATOM 471 CA THR A 28 8.057 17.167 -3.371 1.00 0.00 C ATOM 472 C THR A 28 9.253 17.039 -2.400 1.00 0.00 C ATOM 473 O THR A 28 9.357 16.061 -1.643 1.00 0.00 O ATOM 474 CB THR A 28 7.088 18.290 -2.865 1.00 0.00 C ATOM 475 OG1 THR A 28 6.531 17.924 -1.598 1.00 0.00 O ATOM 476 CG2 THR A 28 5.940 18.566 -3.857 1.00 0.00 C ATOM 0 H THR A 28 6.477 15.826 -2.981 1.00 0.00 H new ATOM 0 HA THR A 28 8.454 17.434 -4.350 1.00 0.00 H new ATOM 0 HB THR A 28 7.680 19.201 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.928 18.632 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.297 19.352 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.354 18.885 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.356 17.657 -4.000 1.00 0.00 H new ATOM 484 N ASP A 29 10.132 18.064 -2.417 1.00 0.00 N ATOM 485 CA ASP A 29 11.275 18.167 -1.490 1.00 0.00 C ATOM 486 C ASP A 29 10.800 18.424 -0.054 1.00 0.00 C ATOM 487 O ASP A 29 11.479 18.054 0.906 1.00 0.00 O ATOM 488 CB ASP A 29 12.253 19.275 -1.928 1.00 0.00 C ATOM 489 CG ASP A 29 13.009 18.916 -3.213 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.063 18.243 -3.133 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.540 19.271 -4.314 1.00 0.00 O ATOM 0 H ASP A 29 10.068 18.842 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 29 11.801 17.213 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.701 20.202 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.970 19.460 -1.128 1.00 0.00 H new ATOM 496 N ALA A 30 9.628 19.070 0.073 1.00 0.00 N ATOM 497 CA ALA A 30 8.955 19.298 1.372 1.00 0.00 C ATOM 498 C ALA A 30 8.444 17.968 1.981 1.00 0.00 C ATOM 499 O ALA A 30 8.140 17.901 3.172 1.00 0.00 O ATOM 500 CB ALA A 30 7.795 20.298 1.194 1.00 0.00 C ATOM 0 H ALA A 30 9.116 19.451 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 30 9.682 19.719 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.305 20.461 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.185 21.245 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.074 19.896 0.482 1.00 0.00 H new ATOM 506 N ASP A 31 8.358 16.914 1.145 1.00 0.00 N ATOM 507 CA ASP A 31 7.801 15.603 1.533 1.00 0.00 C ATOM 508 C ASP A 31 8.924 14.536 1.682 1.00 0.00 C ATOM 509 O ASP A 31 8.637 13.383 2.030 1.00 0.00 O ATOM 510 CB ASP A 31 6.741 15.183 0.469 1.00 0.00 C ATOM 511 CG ASP A 31 5.877 13.979 0.877 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.182 14.059 1.914 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.876 12.958 0.165 1.00 0.00 O ATOM 0 H ASP A 31 8.675 16.949 0.176 1.00 0.00 H new ATOM 0 HA ASP A 31 7.320 15.680 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.088 16.033 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.253 14.948 -0.464 1.00 0.00 H new ATOM 518 N ASN A 32 10.205 14.931 1.419 1.00 0.00 N ATOM 519 CA ASN A 32 11.392 14.047 1.613 1.00 0.00 C ATOM 520 C ASN A 32 11.505 13.572 3.075 1.00 0.00 C ATOM 521 O ASN A 32 11.516 14.397 3.991 1.00 0.00 O ATOM 522 CB ASN A 32 12.709 14.766 1.206 1.00 0.00 C ATOM 523 CG ASN A 32 12.747 15.221 -0.249 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.019 14.707 -1.106 1.00 0.00 O ATOM 525 ND2 ASN A 32 13.639 16.159 -0.553 1.00 0.00 N ATOM 0 H ASN A 32 10.440 15.860 1.071 1.00 0.00 H new ATOM 0 HA ASN A 32 11.247 13.181 0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.851 15.634 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.548 14.094 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.738 16.475 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.224 16.563 0.179 1.00 0.00 H new ATOM 532 N THR A 33 11.595 12.246 3.285 1.00 0.00 N ATOM 533 CA THR A 33 11.597 11.640 4.638 1.00 0.00 C ATOM 534 C THR A 33 12.782 10.667 4.817 1.00 0.00 C ATOM 535 O THR A 33 13.253 10.057 3.849 1.00 0.00 O ATOM 536 CB THR A 33 10.244 10.888 4.927 1.00 0.00 C ATOM 537 OG1 THR A 33 9.980 9.915 3.907 1.00 0.00 O ATOM 538 CG2 THR A 33 9.044 11.848 5.020 1.00 0.00 C ATOM 0 H THR A 33 11.668 11.564 2.530 1.00 0.00 H new ATOM 0 HA THR A 33 11.705 12.455 5.353 1.00 0.00 H new ATOM 0 HB THR A 33 10.365 10.398 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.989 9.018 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.137 11.278 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.210 12.561 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.934 12.385 4.078 1.00 0.00 H new ATOM 546 N TRP A 34 13.256 10.539 6.072 1.00 0.00 N ATOM 547 CA TRP A 34 14.314 9.586 6.456 1.00 0.00 C ATOM 548 C TRP A 34 13.734 8.171 6.553 1.00 0.00 C ATOM 549 O TRP A 34 12.847 7.927 7.375 1.00 0.00 O ATOM 550 CB TRP A 34 14.932 9.965 7.828 1.00 0.00 C ATOM 551 CG TRP A 34 15.737 11.241 7.837 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.309 12.504 8.140 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.127 11.356 7.535 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.359 13.380 8.069 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.482 12.699 7.693 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.104 10.436 7.151 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.775 13.153 7.478 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.387 10.883 6.938 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.715 12.230 7.105 1.00 0.00 C ATOM 0 H TRP A 34 12.912 11.098 6.853 1.00 0.00 H new ATOM 0 HA TRP A 34 15.090 9.623 5.692 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.128 10.056 8.558 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.572 9.147 8.159 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.294 12.771 8.397 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.311 14.380 8.265 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.857 9.392 7.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.031 14.195 7.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.152 10.182 6.637 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.732 12.551 6.936 1.00 0.00 H new ATOM 570 N GLU A 35 14.226 7.240 5.727 1.00 0.00 N ATOM 571 CA GLU A 35 13.815 5.829 5.787 1.00 0.00 C ATOM 572 C GLU A 35 15.031 4.932 6.078 1.00 0.00 C ATOM 573 O GLU A 35 16.091 5.129 5.476 1.00 0.00 O ATOM 574 CB GLU A 35 13.120 5.389 4.473 1.00 0.00 C ATOM 575 CG GLU A 35 11.832 6.173 4.110 1.00 0.00 C ATOM 576 CD GLU A 35 10.774 6.275 5.241 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.634 5.342 6.070 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.043 7.283 5.283 1.00 0.00 O ATOM 0 H GLU A 35 14.916 7.440 5.002 1.00 0.00 H new ATOM 0 HA GLU A 35 13.095 5.722 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.831 5.491 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.872 4.330 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.114 7.181 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.370 5.698 3.245 1.00 0.00 H new ATOM 585 N PRO A 36 14.896 3.927 7.007 1.00 0.00 N ATOM 586 CA PRO A 36 16.015 3.040 7.393 1.00 0.00 C ATOM 587 C PRO A 36 16.521 2.147 6.244 1.00 0.00 C ATOM 588 O PRO A 36 15.806 1.902 5.269 1.00 0.00 O ATOM 589 CB PRO A 36 15.433 2.206 8.566 1.00 0.00 C ATOM 590 CG PRO A 36 13.949 2.253 8.387 1.00 0.00 C ATOM 591 CD PRO A 36 13.652 3.598 7.760 1.00 0.00 C ATOM 0 HA PRO A 36 16.901 3.611 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.800 1.180 8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.726 2.624 9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.606 1.439 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.436 2.145 9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.787 3.548 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.432 4.351 8.516 1.00 0.00 H new ATOM 599 N GLU A 37 17.762 1.666 6.412 1.00 0.00 N ATOM 600 CA GLU A 37 18.474 0.797 5.452 1.00 0.00 C ATOM 601 C GLU A 37 17.654 -0.470 5.103 1.00 0.00 C ATOM 602 O GLU A 37 17.623 -0.904 3.951 1.00 0.00 O ATOM 603 CB GLU A 37 19.851 0.422 6.070 1.00 0.00 C ATOM 604 CG GLU A 37 19.753 -0.297 7.442 1.00 0.00 C ATOM 605 CD GLU A 37 21.105 -0.512 8.135 1.00 0.00 C ATOM 606 OE1 GLU A 37 21.952 -1.242 7.583 1.00 0.00 O ATOM 607 OE2 GLU A 37 21.336 0.059 9.218 1.00 0.00 O ATOM 0 H GLU A 37 18.317 1.875 7.242 1.00 0.00 H new ATOM 0 HA GLU A 37 18.617 1.334 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.388 -0.221 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.444 1.329 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.108 0.286 8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.272 -1.265 7.299 1.00 0.00 H new ATOM 614 N GLU A 38 16.958 -0.999 6.129 1.00 0.00 N ATOM 615 CA GLU A 38 16.149 -2.235 6.053 1.00 0.00 C ATOM 616 C GLU A 38 14.846 -2.013 5.257 1.00 0.00 C ATOM 617 O GLU A 38 14.246 -2.964 4.746 1.00 0.00 O ATOM 618 CB GLU A 38 15.830 -2.701 7.501 1.00 0.00 C ATOM 619 CG GLU A 38 15.027 -1.676 8.340 1.00 0.00 C ATOM 620 CD GLU A 38 14.885 -2.060 9.823 1.00 0.00 C ATOM 621 OE1 GLU A 38 14.267 -3.105 10.116 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.400 -1.330 10.696 1.00 0.00 O ATOM 0 H GLU A 38 16.941 -0.570 7.054 1.00 0.00 H new ATOM 0 HA GLU A 38 16.716 -3.002 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.268 -3.634 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.767 -2.919 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.515 -0.704 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.033 -1.565 7.907 1.00 0.00 H new ATOM 629 N ASN A 39 14.429 -0.746 5.177 1.00 0.00 N ATOM 630 CA ASN A 39 13.170 -0.326 4.545 1.00 0.00 C ATOM 631 C ASN A 39 13.386 -0.006 3.053 1.00 0.00 C ATOM 632 O ASN A 39 12.424 0.059 2.269 1.00 0.00 O ATOM 633 CB ASN A 39 12.644 0.905 5.314 1.00 0.00 C ATOM 634 CG ASN A 39 11.310 1.445 4.838 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.485 0.713 4.305 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.085 2.726 5.041 1.00 0.00 N ATOM 0 H ASN A 39 14.966 0.034 5.557 1.00 0.00 H new ATOM 0 HA ASN A 39 12.436 -1.131 4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.556 0.644 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.385 1.701 5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.199 3.140 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.796 3.304 5.488 1.00 0.00 H new ATOM 643 N LEU A 40 14.654 0.206 2.668 1.00 0.00 N ATOM 644 CA LEU A 40 15.016 0.516 1.279 1.00 0.00 C ATOM 645 C LEU A 40 14.978 -0.754 0.430 1.00 0.00 C ATOM 646 O LEU A 40 15.565 -1.772 0.813 1.00 0.00 O ATOM 647 CB LEU A 40 16.430 1.166 1.185 1.00 0.00 C ATOM 648 CG LEU A 40 16.712 2.413 2.090 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.938 3.202 1.586 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.468 3.312 2.232 1.00 0.00 C ATOM 0 H LEU A 40 15.450 0.168 3.305 1.00 0.00 H new ATOM 0 HA LEU A 40 14.287 1.233 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.169 0.401 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.599 1.457 0.148 1.00 0.00 H new ATOM 0 HG LEU A 40 16.948 2.046 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.109 4.062 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.817 2.557 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.756 3.546 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.706 4.165 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.161 3.667 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.656 2.741 2.681 1.00 0.00 H new ATOM 662 N ASP A 41 14.287 -0.691 -0.718 1.00 0.00 N ATOM 663 CA ASP A 41 14.327 -1.748 -1.745 1.00 0.00 C ATOM 664 C ASP A 41 15.192 -1.255 -2.912 1.00 0.00 C ATOM 665 O ASP A 41 15.123 -1.774 -4.029 1.00 0.00 O ATOM 666 CB ASP A 41 12.893 -2.087 -2.226 1.00 0.00 C ATOM 667 CG ASP A 41 11.985 -2.617 -1.109 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.441 -1.802 -0.323 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.809 -3.848 -1.003 1.00 0.00 O ATOM 0 H ASP A 41 13.684 0.094 -0.963 1.00 0.00 H new ATOM 0 HA ASP A 41 14.758 -2.658 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.442 -1.194 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.951 -2.831 -3.021 1.00 0.00 H new ATOM 674 N CYS A 42 15.997 -0.217 -2.627 1.00 0.00 N ATOM 675 CA CYS A 42 16.833 0.467 -3.595 1.00 0.00 C ATOM 676 C CYS A 42 18.323 0.288 -3.214 1.00 0.00 C ATOM 677 O CYS A 42 18.883 1.099 -2.470 1.00 0.00 O ATOM 678 CB CYS A 42 16.414 1.956 -3.637 1.00 0.00 C ATOM 679 SG CYS A 42 16.363 2.770 -2.017 1.00 0.00 S ATOM 0 H CYS A 42 16.077 0.171 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 42 16.703 0.045 -4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.108 2.497 -4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.429 2.030 -4.098 1.00 0.00 H new ATOM 0 HG CYS A 42 17.498 2.595 -1.408 1.00 0.00 H new ATOM 685 N PRO A 43 18.995 -0.795 -3.725 1.00 0.00 N ATOM 686 CA PRO A 43 20.419 -1.082 -3.406 1.00 0.00 C ATOM 687 C PRO A 43 21.402 -0.242 -4.246 1.00 0.00 C ATOM 688 O PRO A 43 22.524 0.047 -3.804 1.00 0.00 O ATOM 689 CB PRO A 43 20.536 -2.587 -3.732 1.00 0.00 C ATOM 690 CG PRO A 43 19.571 -2.800 -4.866 1.00 0.00 C ATOM 691 CD PRO A 43 18.417 -1.843 -4.622 1.00 0.00 C ATOM 0 HA PRO A 43 20.678 -0.831 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.553 -2.853 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.278 -3.202 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.047 -2.600 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.222 -3.832 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.052 -1.412 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.573 -2.348 -4.153 1.00 0.00 H new ATOM 699 N GLU A 44 20.953 0.152 -5.460 1.00 0.00 N ATOM 700 CA GLU A 44 21.750 0.955 -6.394 1.00 0.00 C ATOM 701 C GLU A 44 21.847 2.402 -5.904 1.00 0.00 C ATOM 702 O GLU A 44 22.818 3.075 -6.214 1.00 0.00 O ATOM 703 CB GLU A 44 21.195 0.902 -7.856 1.00 0.00 C ATOM 704 CG GLU A 44 19.865 1.653 -8.125 1.00 0.00 C ATOM 705 CD GLU A 44 18.645 1.052 -7.410 1.00 0.00 C ATOM 706 OE1 GLU A 44 18.166 -0.021 -7.833 1.00 0.00 O ATOM 707 OE2 GLU A 44 18.179 1.631 -6.415 1.00 0.00 O ATOM 0 H GLU A 44 20.025 -0.082 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 44 22.749 0.519 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 44 21.955 1.308 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.056 -0.144 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.978 2.692 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.676 1.660 -9.198 1.00 0.00 H new ATOM 714 N LEU A 45 20.829 2.872 -5.141 1.00 0.00 N ATOM 715 CA LEU A 45 20.862 4.205 -4.503 1.00 0.00 C ATOM 716 C LEU A 45 21.857 4.234 -3.337 1.00 0.00 C ATOM 717 O LEU A 45 22.559 5.230 -3.149 1.00 0.00 O ATOM 718 CB LEU A 45 19.462 4.641 -3.993 1.00 0.00 C ATOM 719 CG LEU A 45 18.379 4.936 -5.073 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.121 5.539 -4.419 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.921 5.844 -6.194 1.00 0.00 C ATOM 0 H LEU A 45 19.976 2.345 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 45 21.183 4.908 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.082 3.859 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.587 5.536 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 45 18.103 3.990 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.373 5.740 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.716 4.835 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.383 6.469 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.135 6.026 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.247 6.793 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.765 5.356 -6.681 1.00 0.00 H new ATOM 733 N ILE A 46 21.898 3.146 -2.548 1.00 0.00 N ATOM 734 CA ILE A 46 22.839 3.019 -1.412 1.00 0.00 C ATOM 735 C ILE A 46 24.294 3.021 -1.930 1.00 0.00 C ATOM 736 O ILE A 46 25.162 3.725 -1.390 1.00 0.00 O ATOM 737 CB ILE A 46 22.556 1.713 -0.575 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.083 1.709 -0.042 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.571 1.554 0.589 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.664 0.433 0.681 1.00 0.00 C ATOM 0 H ILE A 46 21.290 2.337 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 46 22.692 3.874 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 46 22.683 0.857 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.956 2.552 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.408 1.871 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.347 0.644 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.581 1.493 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.498 2.414 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.630 0.526 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.753 -0.416 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.309 0.276 1.545 1.00 0.00 H new ATOM 752 N GLU A 47 24.516 2.266 -3.023 1.00 0.00 N ATOM 753 CA GLU A 47 25.822 2.187 -3.700 1.00 0.00 C ATOM 754 C GLU A 47 26.191 3.541 -4.321 1.00 0.00 C ATOM 755 O GLU A 47 27.319 4.015 -4.166 1.00 0.00 O ATOM 756 CB GLU A 47 25.798 1.102 -4.808 1.00 0.00 C ATOM 757 CG GLU A 47 27.114 0.983 -5.609 1.00 0.00 C ATOM 758 CD GLU A 47 27.055 -0.065 -6.727 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.260 -1.265 -6.447 1.00 0.00 O ATOM 760 OE2 GLU A 47 26.783 0.305 -7.887 1.00 0.00 O ATOM 0 H GLU A 47 23.794 1.694 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 47 26.570 1.920 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.576 0.138 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.984 1.323 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.355 1.953 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.925 0.729 -4.926 1.00 0.00 H new ATOM 767 N ALA A 48 25.208 4.154 -5.014 1.00 0.00 N ATOM 768 CA ALA A 48 25.402 5.426 -5.742 1.00 0.00 C ATOM 769 C ALA A 48 25.706 6.572 -4.778 1.00 0.00 C ATOM 770 O ALA A 48 26.432 7.491 -5.132 1.00 0.00 O ATOM 771 CB ALA A 48 24.175 5.779 -6.596 1.00 0.00 C ATOM 0 H ALA A 48 24.261 3.783 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 48 26.256 5.287 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.353 6.720 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.999 4.988 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.301 5.880 -5.953 1.00 0.00 H new ATOM 777 N PHE A 49 25.136 6.494 -3.557 1.00 0.00 N ATOM 778 CA PHE A 49 25.390 7.460 -2.475 1.00 0.00 C ATOM 779 C PHE A 49 26.876 7.435 -2.080 1.00 0.00 C ATOM 780 O PHE A 49 27.516 8.486 -1.979 1.00 0.00 O ATOM 781 CB PHE A 49 24.489 7.158 -1.244 1.00 0.00 C ATOM 782 CG PHE A 49 24.817 8.009 -0.015 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.530 9.377 0.009 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.442 7.449 1.106 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.852 10.153 1.107 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.760 8.226 2.202 1.00 0.00 C ATOM 787 CZ PHE A 49 25.468 9.578 2.201 1.00 0.00 C ATOM 0 H PHE A 49 24.484 5.754 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 49 25.143 8.458 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.447 7.321 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.589 6.105 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.049 9.835 -0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.678 6.395 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.622 11.208 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 49 26.237 7.778 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.722 10.185 3.057 1.00 0.00 H new ATOM 797 N LEU A 50 27.407 6.215 -1.880 1.00 0.00 N ATOM 798 CA LEU A 50 28.820 5.999 -1.515 1.00 0.00 C ATOM 799 C LEU A 50 29.744 6.514 -2.631 1.00 0.00 C ATOM 800 O LEU A 50 30.684 7.250 -2.372 1.00 0.00 O ATOM 801 CB LEU A 50 29.079 4.496 -1.236 1.00 0.00 C ATOM 802 CG LEU A 50 28.284 3.892 -0.035 1.00 0.00 C ATOM 803 CD1 LEU A 50 28.551 2.374 0.111 1.00 0.00 C ATOM 804 CD2 LEU A 50 28.587 4.671 1.274 1.00 0.00 C ATOM 0 H LEU A 50 26.870 5.352 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 50 29.038 6.559 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.834 3.929 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.144 4.356 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 50 27.219 4.004 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.983 1.984 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.244 1.861 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 50 29.615 2.206 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.022 4.233 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.653 4.613 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.298 5.715 1.151 1.00 0.00 H new ATOM 816 N ASN A 51 29.403 6.164 -3.881 1.00 0.00 N ATOM 817 CA ASN A 51 30.167 6.574 -5.077 1.00 0.00 C ATOM 818 C ASN A 51 30.052 8.094 -5.323 1.00 0.00 C ATOM 819 O ASN A 51 30.932 8.687 -5.952 1.00 0.00 O ATOM 820 CB ASN A 51 29.675 5.786 -6.331 1.00 0.00 C ATOM 821 CG ASN A 51 29.836 4.265 -6.213 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.717 3.763 -5.510 1.00 0.00 O ATOM 823 ND2 ASN A 51 28.992 3.514 -6.910 1.00 0.00 N ATOM 0 H ASN A 51 28.589 5.588 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 51 31.217 6.340 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.624 6.018 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.226 6.133 -7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.063 2.497 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.272 3.954 -7.484 1.00 0.00 H new ATOM 830 N SER A 52 28.965 8.715 -4.831 1.00 0.00 N ATOM 831 CA SER A 52 28.691 10.149 -5.045 1.00 0.00 C ATOM 832 C SER A 52 29.598 11.014 -4.153 1.00 0.00 C ATOM 833 O SER A 52 30.447 11.763 -4.653 1.00 0.00 O ATOM 834 CB SER A 52 27.202 10.460 -4.757 1.00 0.00 C ATOM 835 OG SER A 52 26.876 11.818 -5.004 1.00 0.00 O ATOM 0 H SER A 52 28.254 8.240 -4.276 1.00 0.00 H new ATOM 0 HA SER A 52 28.904 10.388 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.574 9.820 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.977 10.218 -3.718 1.00 0.00 H new ATOM 0 HG SER A 52 25.927 11.967 -4.810 1.00 0.00 H new ATOM 954 N GLN B 5 13.031 3.740 -8.649 1.00 0.00 N ATOM 955 CA GLN B 5 13.862 3.284 -7.526 1.00 0.00 C ATOM 956 C GLN B 5 12.937 3.108 -6.311 1.00 0.00 C ATOM 957 O GLN B 5 12.466 4.087 -5.728 1.00 0.00 O ATOM 958 CB GLN B 5 15.015 4.267 -7.181 1.00 0.00 C ATOM 959 CG GLN B 5 15.981 4.663 -8.326 1.00 0.00 C ATOM 960 CD GLN B 5 15.387 5.639 -9.345 1.00 0.00 C ATOM 961 OE1 GLN B 5 14.841 5.236 -10.369 1.00 0.00 O ATOM 962 NE2 GLN B 5 15.444 6.927 -9.037 1.00 0.00 N ATOM 0 HA GLN B 5 14.343 2.347 -7.807 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.572 5.180 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.606 3.825 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.876 5.110 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.297 3.759 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.906 7.226 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN B 5 15.026 7.619 -9.659 1.00 0.00 H new ATOM 971 N THR B 6 12.648 1.853 -5.983 1.00 0.00 N ATOM 972 CA THR B 6 11.601 1.487 -5.025 1.00 0.00 C ATOM 973 C THR B 6 12.104 1.499 -3.562 1.00 0.00 C ATOM 974 O THR B 6 13.228 1.080 -3.251 1.00 0.00 O ATOM 975 CB THR B 6 10.984 0.088 -5.382 1.00 0.00 C ATOM 976 OG1 THR B 6 10.052 -0.328 -4.370 1.00 0.00 O ATOM 977 CG2 THR B 6 12.057 -0.999 -5.577 1.00 0.00 C ATOM 0 H THR B 6 13.137 1.050 -6.377 1.00 0.00 H new ATOM 0 HA THR B 6 10.824 2.248 -5.103 1.00 0.00 H new ATOM 0 HB THR B 6 10.463 0.211 -6.332 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.676 -1.201 -4.610 1.00 0.00 H new ATOM 0 HG21 THR B 6 11.576 -1.946 -5.822 1.00 0.00 H new ATOM 0 HG22 THR B 6 12.724 -0.710 -6.389 1.00 0.00 H new ATOM 0 HG23 THR B 6 12.632 -1.112 -4.658 1.00 0.00 H new ATOM 985 N ALA B 7 11.250 2.023 -2.687 1.00 0.00 N ATOM 986 CA ALA B 7 11.402 1.964 -1.235 1.00 0.00 C ATOM 987 C ALA B 7 10.016 2.071 -0.607 1.00 0.00 C ATOM 988 O ALA B 7 9.056 2.516 -1.260 1.00 0.00 O ATOM 989 CB ALA B 7 12.335 3.086 -0.729 1.00 0.00 C ATOM 0 H ALA B 7 10.406 2.516 -2.978 1.00 0.00 H new ATOM 0 HA ALA B 7 11.863 1.019 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.430 3.019 0.355 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.318 2.976 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.916 4.056 -0.997 1.00 0.00 H new ATOM 995 N ARG B 8 9.897 1.636 0.645 1.00 0.00 N ATOM 996 CA ARG B 8 8.662 1.788 1.427 1.00 0.00 C ATOM 997 C ARG B 8 8.874 2.887 2.479 1.00 0.00 C ATOM 998 O ARG B 8 9.909 3.576 2.483 1.00 0.00 O ATOM 999 CB ARG B 8 8.241 0.417 2.079 1.00 0.00 C ATOM 1000 CG ARG B 8 6.809 -0.053 1.738 1.00 0.00 C ATOM 1001 CD ARG B 8 6.629 -0.309 0.236 1.00 0.00 C ATOM 1002 NE ARG B 8 5.291 -0.827 -0.086 1.00 0.00 N ATOM 1003 CZ ARG B 8 4.961 -1.467 -1.214 1.00 0.00 C ATOM 1004 NH1 ARG B 8 5.870 -1.728 -2.145 1.00 0.00 N ATOM 1005 NH2 ARG B 8 3.713 -1.853 -1.402 1.00 0.00 N ATOM 0 H ARG B 8 10.650 1.168 1.150 1.00 0.00 H new ATOM 0 HA ARG B 8 7.842 2.086 0.774 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.945 -0.351 1.761 1.00 0.00 H new ATOM 0 HB3 ARG B 8 8.331 0.503 3.162 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.586 -0.966 2.290 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.093 0.701 2.065 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.798 0.618 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.382 -1.021 -0.102 1.00 0.00 H new ATOM 0 HE ARG B 8 4.555 -0.687 0.606 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.839 -1.440 -2.007 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.600 -2.217 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG B 8 3.008 -1.663 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.454 -2.341 -2.259 1.00 0.00 H new