USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.8!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 68:sc= 1.03 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -81:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 6.015 1.446 1.012 1.00 0.00 N ATOM 20 CA MET A 3 6.075 1.952 2.379 1.00 0.00 C ATOM 21 C MET A 3 7.391 2.680 2.631 1.00 0.00 C ATOM 22 O MET A 3 7.423 3.703 3.315 1.00 0.00 O ATOM 23 CB MET A 3 5.914 0.805 3.378 1.00 0.00 C ATOM 24 CG MET A 3 4.539 0.157 3.343 1.00 0.00 C ATOM 25 SD MET A 3 3.561 0.524 4.812 1.00 0.00 S ATOM 26 CE MET A 3 1.964 0.869 4.079 1.00 0.00 C ATOM 0 HA MET A 3 5.257 2.659 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.669 0.047 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.104 1.180 4.383 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.002 0.500 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.653 -0.923 3.247 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.249 1.114 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.053 1.712 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.617 -0.008 3.533 1.00 0.00 H new ATOM 36 N GLU A 4 8.474 2.147 2.074 1.00 0.00 N ATOM 37 CA GLU A 4 9.793 2.747 2.241 1.00 0.00 C ATOM 38 C GLU A 4 9.808 4.180 1.716 1.00 0.00 C ATOM 39 O GLU A 4 10.247 5.101 2.407 1.00 0.00 O ATOM 40 CB GLU A 4 10.852 1.915 1.516 1.00 0.00 C ATOM 41 CG GLU A 4 12.276 2.258 1.919 1.00 0.00 C ATOM 42 CD GLU A 4 12.949 1.142 2.694 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.358 0.144 2.064 1.00 0.00 O ATOM 44 OE2 GLU A 4 13.065 1.266 3.931 1.00 0.00 O ATOM 0 H GLU A 4 8.464 1.301 1.504 1.00 0.00 H new ATOM 0 HA GLU A 4 10.024 2.766 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.671 0.859 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.743 2.060 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.860 2.477 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.270 3.164 2.526 1.00 0.00 H new ATOM 51 N ARG A 5 9.328 4.360 0.490 1.00 0.00 N ATOM 52 CA ARG A 5 9.288 5.680 -0.129 1.00 0.00 C ATOM 53 C ARG A 5 8.408 6.631 0.676 1.00 0.00 C ATOM 54 O ARG A 5 8.698 7.824 0.781 1.00 0.00 O ATOM 55 CB ARG A 5 8.769 5.578 -1.564 1.00 0.00 C ATOM 56 CG ARG A 5 9.554 4.604 -2.428 1.00 0.00 C ATOM 57 CD ARG A 5 10.821 5.241 -2.975 1.00 0.00 C ATOM 58 NE ARG A 5 11.885 4.260 -3.173 1.00 0.00 N ATOM 59 CZ ARG A 5 12.669 3.819 -2.196 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.509 4.268 -0.959 1.00 0.00 N ATOM 61 NH2 ARG A 5 13.616 2.925 -2.455 1.00 0.00 N ATOM 0 H ARG A 5 8.961 3.609 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 5 10.303 6.078 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.724 5.270 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.801 6.566 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.813 3.723 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.930 4.265 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.600 5.732 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.164 6.014 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 5 12.034 3.894 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.782 4.954 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.113 3.927 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.742 2.576 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.218 2.587 -1.704 1.00 0.00 H new ATOM 75 N LEU A 6 7.331 6.097 1.241 1.00 0.00 N ATOM 76 CA LEU A 6 6.407 6.898 2.036 1.00 0.00 C ATOM 77 C LEU A 6 7.098 7.458 3.275 1.00 0.00 C ATOM 78 O LEU A 6 7.087 8.666 3.512 1.00 0.00 O ATOM 79 CB LEU A 6 5.197 6.058 2.449 1.00 0.00 C ATOM 80 CG LEU A 6 3.907 6.308 1.667 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.795 5.398 2.166 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.493 7.768 1.774 1.00 0.00 C ATOM 0 H LEU A 6 7.076 5.112 1.163 1.00 0.00 H new ATOM 0 HA LEU A 6 6.069 7.733 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.460 5.005 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.998 6.238 3.505 1.00 0.00 H new ATOM 0 HG LEU A 6 4.091 6.080 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.885 5.590 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.091 4.357 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.611 5.594 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.573 7.928 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.327 8.023 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.282 8.401 1.367 1.00 0.00 H new ATOM 94 N ARG A 7 7.701 6.572 4.061 1.00 0.00 N ATOM 95 CA ARG A 7 8.399 6.978 5.275 1.00 0.00 C ATOM 96 C ARG A 7 9.578 7.889 4.946 1.00 0.00 C ATOM 97 O ARG A 7 9.874 8.829 5.684 1.00 0.00 O ATOM 98 CB ARG A 7 8.889 5.749 6.043 1.00 0.00 C ATOM 99 CG ARG A 7 9.307 6.050 7.472 1.00 0.00 C ATOM 100 CD ARG A 7 8.510 5.226 8.471 1.00 0.00 C ATOM 101 NE ARG A 7 9.145 3.941 8.752 1.00 0.00 N ATOM 102 CZ ARG A 7 10.163 3.793 9.594 1.00 0.00 C ATOM 103 NH1 ARG A 7 10.657 4.844 10.233 1.00 0.00 N ATOM 104 NH2 ARG A 7 10.687 2.592 9.797 1.00 0.00 N ATOM 0 H ARG A 7 7.720 5.569 3.879 1.00 0.00 H new ATOM 0 HA ARG A 7 7.697 7.532 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.098 5.000 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.734 5.312 5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.370 5.842 7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.165 7.111 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.402 5.787 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.506 5.057 8.082 1.00 0.00 H new ATOM 0 HE ARG A 7 8.788 3.112 8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.256 5.769 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.438 4.728 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.309 1.781 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.468 2.479 10.443 1.00 0.00 H new ATOM 118 N ASP A 8 10.247 7.603 3.835 1.00 0.00 N ATOM 119 CA ASP A 8 11.394 8.396 3.407 1.00 0.00 C ATOM 120 C ASP A 8 10.961 9.801 2.999 1.00 0.00 C ATOM 121 O ASP A 8 11.461 10.794 3.528 1.00 0.00 O ATOM 122 CB ASP A 8 12.109 7.710 2.242 1.00 0.00 C ATOM 123 CG ASP A 8 12.725 6.383 2.640 1.00 0.00 C ATOM 124 OD1 ASP A 8 12.791 6.101 3.855 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.140 5.627 1.737 1.00 0.00 O ATOM 0 H ASP A 8 10.015 6.828 3.214 1.00 0.00 H new ATOM 0 HA ASP A 8 12.083 8.478 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.401 7.549 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.889 8.369 1.860 1.00 0.00 H new ATOM 130 N VAL A 9 10.029 9.876 2.054 1.00 0.00 N ATOM 131 CA VAL A 9 9.529 11.159 1.575 1.00 0.00 C ATOM 132 C VAL A 9 8.850 11.938 2.696 1.00 0.00 C ATOM 133 O VAL A 9 9.122 13.122 2.896 1.00 0.00 O ATOM 134 CB VAL A 9 8.532 10.975 0.416 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.986 12.320 -0.038 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.190 10.240 -0.742 1.00 0.00 C ATOM 0 H VAL A 9 9.605 9.064 1.605 1.00 0.00 H new ATOM 0 HA VAL A 9 10.392 11.721 1.217 1.00 0.00 H new ATOM 0 HB VAL A 9 7.697 10.372 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.283 12.170 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.475 12.805 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.808 12.951 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.471 10.119 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.045 10.814 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.527 9.259 -0.406 1.00 0.00 H new ATOM 146 N ARG A 10 7.966 11.265 3.425 1.00 0.00 N ATOM 147 CA ARG A 10 7.247 11.895 4.526 1.00 0.00 C ATOM 148 C ARG A 10 8.219 12.462 5.556 1.00 0.00 C ATOM 149 O ARG A 10 8.137 13.634 5.921 1.00 0.00 O ATOM 150 CB ARG A 10 6.310 10.886 5.194 1.00 0.00 C ATOM 151 CG ARG A 10 5.552 11.454 6.383 1.00 0.00 C ATOM 152 CD ARG A 10 4.048 11.338 6.191 1.00 0.00 C ATOM 153 NE ARG A 10 3.589 12.062 5.008 1.00 0.00 N ATOM 154 CZ ARG A 10 3.377 13.373 4.986 1.00 0.00 C ATOM 155 NH1 ARG A 10 3.582 14.100 6.076 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.960 13.960 3.872 1.00 0.00 N ATOM 0 H ARG A 10 7.730 10.284 3.273 1.00 0.00 H new ATOM 0 HA ARG A 10 6.656 12.716 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.594 10.524 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.892 10.025 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.846 10.925 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.823 12.501 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.774 10.287 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.539 11.726 7.073 1.00 0.00 H new ATOM 0 HE ARG A 10 3.422 11.532 4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.903 13.653 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.418 15.107 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.802 13.405 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.797 14.967 3.856 1.00 0.00 H new ATOM 170 N GLU A 11 9.138 11.621 6.021 1.00 0.00 N ATOM 171 CA GLU A 11 10.125 12.039 7.010 1.00 0.00 C ATOM 172 C GLU A 11 11.030 13.131 6.448 1.00 0.00 C ATOM 173 O GLU A 11 11.383 14.081 7.147 1.00 0.00 O ATOM 174 CB GLU A 11 10.967 10.844 7.460 1.00 0.00 C ATOM 175 CG GLU A 11 11.862 11.143 8.651 1.00 0.00 C ATOM 176 CD GLU A 11 11.944 9.984 9.625 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.561 8.957 9.274 1.00 0.00 O ATOM 178 OE2 GLU A 11 11.390 10.104 10.738 1.00 0.00 O ATOM 0 H GLU A 11 9.219 10.647 5.729 1.00 0.00 H new ATOM 0 HA GLU A 11 9.591 12.442 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.303 10.018 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.585 10.512 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.864 11.386 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.486 12.024 9.171 1.00 0.00 H new ATOM 185 N ARG A 12 11.403 12.988 5.180 1.00 0.00 N ATOM 186 CA ARG A 12 12.268 13.960 4.524 1.00 0.00 C ATOM 187 C ARG A 12 11.574 15.314 4.406 1.00 0.00 C ATOM 188 O ARG A 12 12.205 16.362 4.554 1.00 0.00 O ATOM 189 CB ARG A 12 12.672 13.460 3.136 1.00 0.00 C ATOM 190 CG ARG A 12 13.844 12.492 3.154 1.00 0.00 C ATOM 191 CD ARG A 12 15.148 13.201 3.486 1.00 0.00 C ATOM 192 NE ARG A 12 16.239 12.259 3.721 1.00 0.00 N ATOM 193 CZ ARG A 12 16.846 11.582 2.753 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.471 11.742 1.491 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.832 10.743 3.046 1.00 0.00 N ATOM 0 H ARG A 12 11.119 12.208 4.587 1.00 0.00 H new ATOM 0 HA ARG A 12 13.163 14.082 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.815 12.971 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.928 14.316 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.658 11.708 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.930 12.006 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.416 13.869 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.008 13.822 4.371 1.00 0.00 H new ATOM 0 HE ARG A 12 16.552 12.113 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.714 12.386 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.939 11.221 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.124 10.618 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.298 10.223 2.302 1.00 0.00 H new ATOM 209 N LEU A 13 10.273 15.284 4.139 1.00 0.00 N ATOM 210 CA LEU A 13 9.493 16.509 4.001 1.00 0.00 C ATOM 211 C LEU A 13 9.340 17.212 5.346 1.00 0.00 C ATOM 212 O LEU A 13 9.807 18.337 5.525 1.00 0.00 O ATOM 213 CB LEU A 13 8.114 16.195 3.418 1.00 0.00 C ATOM 214 CG LEU A 13 7.607 17.154 2.340 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.308 16.642 1.737 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.417 18.550 2.915 1.00 0.00 C ATOM 0 H LEU A 13 9.736 14.426 4.014 1.00 0.00 H new ATOM 0 HA LEU A 13 10.026 17.175 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.139 15.189 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.391 16.182 4.234 1.00 0.00 H new ATOM 0 HG LEU A 13 8.354 17.207 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.963 17.338 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.476 15.663 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.553 16.558 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.056 19.219 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.690 18.513 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.369 18.919 3.297 1.00 0.00 H new ATOM 228 N GLN A 14 8.686 16.541 6.288 1.00 0.00 N ATOM 229 CA GLN A 14 8.474 17.101 7.617 1.00 0.00 C ATOM 230 C GLN A 14 9.783 17.619 8.205 1.00 0.00 C ATOM 231 O GLN A 14 9.850 18.743 8.701 1.00 0.00 O ATOM 232 CB GLN A 14 7.865 16.050 8.546 1.00 0.00 C ATOM 233 CG GLN A 14 8.624 14.732 8.554 1.00 0.00 C ATOM 234 CD GLN A 14 9.520 14.582 9.767 1.00 0.00 C ATOM 235 OE1 GLN A 14 10.714 14.305 9.641 1.00 0.00 O ATOM 236 NE2 GLN A 14 8.950 14.765 10.952 1.00 0.00 N ATOM 0 H GLN A 14 8.294 15.609 6.156 1.00 0.00 H new ATOM 0 HA GLN A 14 7.782 17.938 7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.834 16.448 9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.834 15.864 8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.912 13.907 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.228 14.660 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.958 14.993 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.505 14.677 11.804 1.00 0.00 H new ATOM 245 N ALA A 15 10.821 16.791 8.146 1.00 0.00 N ATOM 246 CA ALA A 15 12.128 17.166 8.670 1.00 0.00 C ATOM 247 C ALA A 15 12.696 18.367 7.922 1.00 0.00 C ATOM 248 O ALA A 15 13.221 19.299 8.531 1.00 0.00 O ATOM 249 CB ALA A 15 13.087 15.988 8.588 1.00 0.00 C ATOM 0 H ALA A 15 10.782 15.856 7.740 1.00 0.00 H new ATOM 0 HA ALA A 15 12.005 17.448 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.059 16.282 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.694 15.157 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.196 15.679 7.548 1.00 0.00 H new ATOM 255 N TRP A 16 12.589 18.337 6.598 1.00 0.00 N ATOM 256 CA TRP A 16 13.094 19.424 5.766 1.00 0.00 C ATOM 257 C TRP A 16 12.551 20.768 6.239 1.00 0.00 C ATOM 258 O TRP A 16 13.294 21.596 6.767 1.00 0.00 O ATOM 259 CB TRP A 16 12.713 19.192 4.303 1.00 0.00 C ATOM 260 CG TRP A 16 12.934 20.394 3.435 1.00 0.00 C ATOM 261 CD1 TRP A 16 12.009 21.017 2.647 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.159 21.115 3.265 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.585 22.082 1.998 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.903 22.164 2.361 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.447 20.978 3.791 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.888 23.068 1.972 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.423 21.876 3.404 1.00 0.00 C ATOM 268 CH2 TRP A 16 16.140 22.911 2.502 1.00 0.00 C ATOM 0 H TRP A 16 12.158 17.573 6.078 1.00 0.00 H new ATOM 0 HA TRP A 16 14.180 19.441 5.853 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.295 18.358 3.911 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.664 18.902 4.250 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.976 20.717 2.548 1.00 0.00 H new ATOM 0 HE1 TRP A 16 12.108 22.710 1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.675 20.185 4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.672 23.865 1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.422 21.779 3.804 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.925 23.597 2.220 1.00 0.00 H new ATOM 279 N GLU A 17 11.253 20.979 6.046 1.00 0.00 N ATOM 280 CA GLU A 17 10.613 22.224 6.453 1.00 0.00 C ATOM 281 C GLU A 17 10.859 22.504 7.933 1.00 0.00 C ATOM 282 O GLU A 17 11.017 23.655 8.339 1.00 0.00 O ATOM 283 CB GLU A 17 9.109 22.165 6.177 1.00 0.00 C ATOM 284 CG GLU A 17 8.391 21.071 6.949 1.00 0.00 C ATOM 285 CD GLU A 17 6.907 21.017 6.642 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.178 21.933 7.078 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.475 20.060 5.967 1.00 0.00 O ATOM 0 H GLU A 17 10.624 20.304 5.611 1.00 0.00 H new ATOM 0 HA GLU A 17 11.050 23.034 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.664 23.128 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.950 22.009 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.842 20.108 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.531 21.234 8.018 1.00 0.00 H new ATOM 294 N ARG A 18 10.889 21.443 8.733 1.00 0.00 N ATOM 295 CA ARG A 18 11.114 21.574 10.167 1.00 0.00 C ATOM 296 C ARG A 18 12.378 22.380 10.448 1.00 0.00 C ATOM 297 O ARG A 18 12.310 23.529 10.886 1.00 0.00 O ATOM 298 CB ARG A 18 11.221 20.193 10.816 1.00 0.00 C ATOM 299 CG ARG A 18 9.920 19.706 11.431 1.00 0.00 C ATOM 300 CD ARG A 18 9.495 20.578 12.602 1.00 0.00 C ATOM 301 NE ARG A 18 8.473 19.934 13.422 1.00 0.00 N ATOM 302 CZ ARG A 18 8.735 18.980 14.308 1.00 0.00 C ATOM 303 NH1 ARG A 18 9.980 18.561 14.488 1.00 0.00 N ATOM 304 NH2 ARG A 18 7.750 18.442 15.017 1.00 0.00 N ATOM 0 H ARG A 18 10.760 20.483 8.412 1.00 0.00 H new ATOM 0 HA ARG A 18 10.264 22.104 10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.550 19.473 10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.989 20.223 11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.136 19.705 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.039 18.676 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.364 20.805 13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.113 21.528 12.227 1.00 0.00 H new ATOM 0 HE ARG A 18 7.505 20.233 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.740 18.972 13.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.178 17.828 15.169 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.791 18.761 14.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.952 17.709 15.697 1.00 0.00 H new ATOM 318 N ALA A 19 13.531 21.771 10.194 1.00 0.00 N ATOM 319 CA ALA A 19 14.811 22.432 10.418 1.00 0.00 C ATOM 320 C ALA A 19 14.968 23.646 9.510 1.00 0.00 C ATOM 321 O ALA A 19 15.540 24.662 9.907 1.00 0.00 O ATOM 322 CB ALA A 19 15.956 21.454 10.197 1.00 0.00 C ATOM 0 H ALA A 19 13.605 20.820 9.833 1.00 0.00 H new ATOM 0 HA ALA A 19 14.837 22.778 11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.906 21.961 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.861 20.619 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.923 21.080 9.174 1.00 0.00 H new ATOM 328 N PHE A 20 14.457 23.536 8.288 1.00 0.00 N ATOM 329 CA PHE A 20 14.542 24.625 7.322 1.00 0.00 C ATOM 330 C PHE A 20 14.029 25.929 7.927 1.00 0.00 C ATOM 331 O PHE A 20 14.805 26.843 8.208 1.00 0.00 O ATOM 332 CB PHE A 20 13.741 24.284 6.064 1.00 0.00 C ATOM 333 CG PHE A 20 13.451 25.475 5.196 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.459 26.070 4.454 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.171 26.000 5.123 1.00 0.00 C ATOM 336 CE1 PHE A 20 14.195 27.166 3.654 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.901 27.096 4.325 1.00 0.00 C ATOM 338 CZ PHE A 20 12.915 27.680 3.591 1.00 0.00 C ATOM 0 H PHE A 20 13.979 22.703 7.943 1.00 0.00 H new ATOM 0 HA PHE A 20 15.590 24.757 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.292 23.546 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.799 23.820 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.462 25.673 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.375 25.548 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.989 27.620 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.899 27.495 4.276 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.707 28.538 2.969 1.00 0.00 H new ATOM 348 N ARG A 21 12.717 26.007 8.123 1.00 0.00 N ATOM 349 CA ARG A 21 12.100 27.199 8.693 1.00 0.00 C ATOM 350 C ARG A 21 12.664 27.495 10.079 1.00 0.00 C ATOM 351 O ARG A 21 12.528 28.606 10.592 1.00 0.00 O ATOM 352 CB ARG A 21 10.582 27.023 8.775 1.00 0.00 C ATOM 353 CG ARG A 21 9.880 28.138 9.534 1.00 0.00 C ATOM 354 CD ARG A 21 8.481 28.385 8.992 1.00 0.00 C ATOM 355 NE ARG A 21 7.709 29.275 9.855 1.00 0.00 N ATOM 356 CZ ARG A 21 7.843 30.596 9.857 1.00 0.00 C ATOM 357 NH1 ARG A 21 8.714 31.179 9.045 1.00 0.00 N ATOM 358 NH2 ARG A 21 7.104 31.338 10.672 1.00 0.00 N ATOM 0 H ARG A 21 12.061 25.260 7.896 1.00 0.00 H new ATOM 0 HA ARG A 21 12.327 28.042 8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.176 26.971 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.361 26.071 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.821 27.879 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.466 29.054 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.550 28.818 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.958 27.434 8.891 1.00 0.00 H new ATOM 0 HE ARG A 21 7.029 28.859 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.283 30.612 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.815 32.194 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.432 30.894 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.208 32.353 10.673 1.00 0.00 H new ATOM 372 N ARG A 22 13.298 26.493 10.680 1.00 0.00 N ATOM 373 CA ARG A 22 13.882 26.645 12.007 1.00 0.00 C ATOM 374 C ARG A 22 15.061 27.614 11.975 1.00 0.00 C ATOM 375 O ARG A 22 15.172 28.498 12.824 1.00 0.00 O ATOM 376 CB ARG A 22 14.338 25.288 12.546 1.00 0.00 C ATOM 377 CG ARG A 22 13.646 24.880 13.836 1.00 0.00 C ATOM 378 CD ARG A 22 14.563 25.048 15.037 1.00 0.00 C ATOM 379 NE ARG A 22 14.716 26.450 15.417 1.00 0.00 N ATOM 380 CZ ARG A 22 15.125 26.845 16.618 1.00 0.00 C ATOM 381 NH1 ARG A 22 15.420 25.949 17.550 1.00 0.00 N ATOM 382 NH2 ARG A 22 15.240 28.139 16.888 1.00 0.00 N ATOM 0 H ARG A 22 13.420 25.568 10.269 1.00 0.00 H new ATOM 0 HA ARG A 22 13.117 27.052 12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.155 24.526 11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.414 25.317 12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.748 25.483 13.975 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.324 23.841 13.765 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.162 24.485 15.880 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.541 24.626 14.808 1.00 0.00 H new ATOM 0 HE ARG A 22 14.497 27.165 14.723 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.333 24.953 17.346 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.734 26.255 18.471 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.014 28.831 16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.554 28.442 17.810 1.00 0.00 H new ATOM 396 N GLN A 23 15.937 27.439 10.991 1.00 0.00 N ATOM 397 CA GLN A 23 17.107 28.297 10.849 1.00 0.00 C ATOM 398 C GLN A 23 16.841 29.422 9.855 1.00 0.00 C ATOM 399 O GLN A 23 17.189 30.577 10.101 1.00 0.00 O ATOM 400 CB GLN A 23 18.316 27.476 10.397 1.00 0.00 C ATOM 401 CG GLN A 23 18.097 26.744 9.083 1.00 0.00 C ATOM 402 CD GLN A 23 19.239 25.808 8.739 1.00 0.00 C ATOM 403 OE1 GLN A 23 20.352 25.955 9.246 1.00 0.00 O ATOM 404 NE2 GLN A 23 18.968 24.837 7.875 1.00 0.00 N ATOM 0 H GLN A 23 15.859 26.711 10.281 1.00 0.00 H new ATOM 0 HA GLN A 23 17.321 28.740 11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.177 28.137 10.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.562 26.749 11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.170 26.174 9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.975 27.473 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.031 24.753 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.696 24.175 7.607 1.00 0.00 H new ATOM 413 N ARG A 24 16.222 29.077 8.730 1.00 0.00 N ATOM 414 CA ARG A 24 15.910 30.057 7.697 1.00 0.00 C ATOM 415 C ARG A 24 14.806 31.003 8.161 1.00 0.00 C ATOM 416 O ARG A 24 14.988 32.219 8.189 1.00 0.00 O ATOM 417 CB ARG A 24 15.486 29.353 6.407 1.00 0.00 C ATOM 418 CG ARG A 24 16.654 28.867 5.566 1.00 0.00 C ATOM 419 CD ARG A 24 17.452 30.030 4.995 1.00 0.00 C ATOM 420 NE ARG A 24 18.617 30.349 5.816 1.00 0.00 N ATOM 421 CZ ARG A 24 19.660 31.042 5.373 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.683 31.486 4.124 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.683 31.293 6.181 1.00 0.00 N ATOM 0 H ARG A 24 15.927 28.126 8.511 1.00 0.00 H new ATOM 0 HA ARG A 24 16.809 30.643 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.852 28.503 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.881 30.037 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.306 28.241 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.283 28.244 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.777 29.785 3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.810 30.908 4.920 1.00 0.00 H new ATOM 0 HE ARG A 24 18.630 30.022 6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.898 31.296 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.485 32.018 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.668 30.954 7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.484 31.825 5.840 1.00 0.00 H new ATOM 437 N GLY A 25 13.660 30.434 8.523 1.00 0.00 N ATOM 438 CA GLY A 25 12.543 31.240 8.980 1.00 0.00 C ATOM 439 C GLY A 25 11.951 32.089 7.873 1.00 0.00 C ATOM 440 O GLY A 25 11.477 33.199 8.118 1.00 0.00 O ATOM 0 H GLY A 25 13.485 29.429 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.770 30.588 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.874 31.887 9.793 1.00 0.00 H new ATOM 444 N ARG A 26 11.979 31.569 6.650 1.00 0.00 N ATOM 445 CA ARG A 26 11.443 32.288 5.501 1.00 0.00 C ATOM 446 C ARG A 26 11.667 31.500 4.213 1.00 0.00 C ATOM 447 O ARG A 26 12.158 30.372 4.242 1.00 0.00 O ATOM 448 CB ARG A 26 12.093 33.668 5.387 1.00 0.00 C ATOM 449 CG ARG A 26 13.600 33.649 5.587 1.00 0.00 C ATOM 450 CD ARG A 26 14.302 34.588 4.618 1.00 0.00 C ATOM 451 NE ARG A 26 14.397 35.947 5.144 1.00 0.00 N ATOM 452 CZ ARG A 26 15.233 36.862 4.668 1.00 0.00 C ATOM 453 NH1 ARG A 26 16.042 36.566 3.660 1.00 0.00 N ATOM 454 NH2 ARG A 26 15.261 38.078 5.200 1.00 0.00 N ATOM 0 H ARG A 26 12.367 30.652 6.430 1.00 0.00 H new ATOM 0 HA ARG A 26 10.370 32.411 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.870 34.085 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.645 34.333 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.836 33.938 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.974 32.635 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.303 34.210 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.761 34.603 3.672 1.00 0.00 H new ATOM 0 HE ARG A 26 13.788 36.207 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.023 35.633 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.683 37.271 3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.640 38.310 5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.904 38.780 4.834 1.00 0.00 H new ATOM 468 N ARG A 27 11.304 32.103 3.086 1.00 0.00 N ATOM 469 CA ARG A 27 11.464 31.458 1.789 1.00 0.00 C ATOM 470 C ARG A 27 12.877 30.904 1.627 1.00 0.00 C ATOM 471 O ARG A 27 13.850 31.464 2.132 1.00 0.00 O ATOM 472 CB ARG A 27 11.160 32.447 0.662 1.00 0.00 C ATOM 473 CG ARG A 27 10.022 32.007 -0.245 1.00 0.00 C ATOM 474 CD ARG A 27 10.496 31.805 -1.675 1.00 0.00 C ATOM 475 NE ARG A 27 10.663 33.073 -2.381 1.00 0.00 N ATOM 476 CZ ARG A 27 11.422 33.219 -3.461 1.00 0.00 C ATOM 477 NH1 ARG A 27 12.080 32.181 -3.958 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.523 34.406 -4.047 1.00 0.00 N ATOM 0 H ARG A 27 10.897 33.037 3.045 1.00 0.00 H new ATOM 0 HA ARG A 27 10.759 30.629 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.913 33.415 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.059 32.587 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.593 31.079 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.230 32.755 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.443 31.265 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.778 31.184 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 27 10.169 33.891 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.004 31.267 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.662 32.296 -4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.017 35.207 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.106 34.517 -4.876 1.00 0.00 H new ATOM 492 N PRO A 28 12.993 29.779 0.907 1.00 0.00 N ATOM 493 CA PRO A 28 14.282 29.125 0.662 1.00 0.00 C ATOM 494 C PRO A 28 15.173 29.934 -0.275 1.00 0.00 C ATOM 495 O PRO A 28 14.772 30.984 -0.776 1.00 0.00 O ATOM 496 CB PRO A 28 13.888 27.797 0.012 1.00 0.00 C ATOM 497 CG PRO A 28 12.563 28.060 -0.614 1.00 0.00 C ATOM 498 CD PRO A 28 11.875 29.058 0.275 1.00 0.00 C ATOM 0 HA PRO A 28 14.862 29.011 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.622 27.487 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.825 26.998 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.680 28.453 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.980 27.142 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.235 29.730 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.243 28.568 1.016 1.00 0.00 H new ATOM 506 N SER A 29 16.384 29.437 -0.508 1.00 0.00 N ATOM 507 CA SER A 29 17.333 30.115 -1.382 1.00 0.00 C ATOM 508 C SER A 29 17.990 29.127 -2.341 1.00 0.00 C ATOM 509 O SER A 29 18.141 27.947 -2.025 1.00 0.00 O ATOM 510 CB SER A 29 18.404 30.827 -0.553 1.00 0.00 C ATOM 511 OG SER A 29 18.630 30.155 0.673 1.00 0.00 O ATOM 0 H SER A 29 16.730 28.567 -0.103 1.00 0.00 H new ATOM 0 HA SER A 29 16.786 30.854 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.333 30.878 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.094 31.853 -0.357 1.00 0.00 H new ATOM 0 HG SER A 29 19.320 30.629 1.183 1.00 0.00 H new ATOM 517 N GLN A 30 18.378 29.618 -3.514 1.00 0.00 N ATOM 518 CA GLN A 30 19.018 28.779 -4.520 1.00 0.00 C ATOM 519 C GLN A 30 20.176 27.993 -3.915 1.00 0.00 C ATOM 520 O GLN A 30 20.504 26.899 -4.376 1.00 0.00 O ATOM 521 CB GLN A 30 19.519 29.634 -5.685 1.00 0.00 C ATOM 522 CG GLN A 30 18.444 29.953 -6.712 1.00 0.00 C ATOM 523 CD GLN A 30 18.708 31.251 -7.449 1.00 0.00 C ATOM 524 OE1 GLN A 30 19.222 31.249 -8.568 1.00 0.00 O ATOM 525 NE2 GLN A 30 18.356 32.369 -6.824 1.00 0.00 N ATOM 0 H GLN A 30 18.260 30.593 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 30 18.277 28.071 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.923 30.567 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.340 29.114 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.381 29.137 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.477 30.013 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.933 32.324 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.509 33.273 -7.271 1.00 0.00 H new ATOM 534 N ASP A 31 20.793 28.557 -2.883 1.00 0.00 N ATOM 535 CA ASP A 31 21.915 27.908 -2.214 1.00 0.00 C ATOM 536 C ASP A 31 21.452 26.669 -1.454 1.00 0.00 C ATOM 537 O ASP A 31 22.060 25.604 -1.555 1.00 0.00 O ATOM 538 CB ASP A 31 22.599 28.885 -1.256 1.00 0.00 C ATOM 539 CG ASP A 31 24.110 28.841 -1.366 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.688 27.750 -1.176 1.00 0.00 O ATOM 541 OD2 ASP A 31 24.715 29.897 -1.642 1.00 0.00 O ATOM 0 H ASP A 31 20.535 29.463 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 31 22.630 27.598 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.252 29.897 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.305 28.652 -0.233 1.00 0.00 H new ATOM 546 N ASP A 32 20.374 26.818 -0.692 1.00 0.00 N ATOM 547 CA ASP A 32 19.830 25.711 0.087 1.00 0.00 C ATOM 548 C ASP A 32 19.190 24.669 -0.825 1.00 0.00 C ATOM 549 O ASP A 32 19.108 23.491 -0.476 1.00 0.00 O ATOM 550 CB ASP A 32 18.801 26.226 1.094 1.00 0.00 C ATOM 551 CG ASP A 32 18.883 25.504 2.425 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.384 24.361 2.451 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.446 26.084 3.441 1.00 0.00 O ATOM 0 H ASP A 32 19.860 27.694 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 32 20.651 25.240 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.955 27.293 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.800 26.106 0.680 1.00 0.00 H new ATOM 558 N VAL A 33 18.737 25.110 -1.994 1.00 0.00 N ATOM 559 CA VAL A 33 18.105 24.216 -2.956 1.00 0.00 C ATOM 560 C VAL A 33 19.147 23.450 -3.762 1.00 0.00 C ATOM 561 O VAL A 33 18.921 22.308 -4.161 1.00 0.00 O ATOM 562 CB VAL A 33 17.190 24.989 -3.924 1.00 0.00 C ATOM 563 CG1 VAL A 33 17.844 25.115 -5.292 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.834 24.309 -4.033 1.00 0.00 C ATOM 0 H VAL A 33 18.796 26.082 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 33 17.503 23.511 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 33 17.037 25.993 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.183 25.664 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.789 25.650 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.030 24.121 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.200 24.869 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.965 23.293 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.363 24.277 -3.051 1.00 0.00 H new ATOM 574 N GLU A 34 20.290 24.086 -3.998 1.00 0.00 N ATOM 575 CA GLU A 34 21.368 23.463 -4.757 1.00 0.00 C ATOM 576 C GLU A 34 22.134 22.464 -3.895 1.00 0.00 C ATOM 577 O GLU A 34 22.904 21.650 -4.404 1.00 0.00 O ATOM 578 CB GLU A 34 22.326 24.529 -5.293 1.00 0.00 C ATOM 579 CG GLU A 34 23.070 24.103 -6.548 1.00 0.00 C ATOM 580 CD GLU A 34 24.541 23.836 -6.291 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.875 22.710 -5.866 1.00 0.00 O ATOM 582 OE2 GLU A 34 25.358 24.754 -6.515 1.00 0.00 O ATOM 0 H GLU A 34 20.493 25.032 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 34 20.924 22.927 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.763 25.438 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.051 24.777 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.607 23.203 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 34 22.972 24.881 -7.306 1.00 0.00 H new ATOM 589 N ALA A 35 21.917 22.532 -2.585 1.00 0.00 N ATOM 590 CA ALA A 35 22.584 21.633 -1.652 1.00 0.00 C ATOM 591 C ALA A 35 22.012 20.223 -1.744 1.00 0.00 C ATOM 592 O ALA A 35 22.740 19.238 -1.620 1.00 0.00 O ATOM 593 CB ALA A 35 22.463 22.163 -0.231 1.00 0.00 C ATOM 0 H ALA A 35 21.284 23.201 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 35 23.639 21.586 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.966 21.482 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.926 23.148 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.410 22.240 0.040 1.00 0.00 H new ATOM 599 N ALA A 36 20.704 20.133 -1.962 1.00 0.00 N ATOM 600 CA ALA A 36 20.035 18.842 -2.071 1.00 0.00 C ATOM 601 C ALA A 36 20.108 18.305 -3.496 1.00 0.00 C ATOM 602 O ALA A 36 20.339 19.045 -4.453 1.00 0.00 O ATOM 603 CB ALA A 36 18.586 18.960 -1.623 1.00 0.00 C ATOM 0 H ALA A 36 20.087 20.938 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 36 20.550 18.137 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.098 17.989 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.552 19.292 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.068 19.683 -2.253 1.00 0.00 H new ATOM 609 N PRO A 37 19.907 16.987 -3.644 1.00 0.00 N ATOM 610 CA PRO A 37 19.945 16.322 -4.950 1.00 0.00 C ATOM 611 C PRO A 37 18.758 16.701 -5.829 1.00 0.00 C ATOM 612 O PRO A 37 17.950 17.554 -5.461 1.00 0.00 O ATOM 613 CB PRO A 37 19.892 14.835 -4.592 1.00 0.00 C ATOM 614 CG PRO A 37 19.217 14.788 -3.265 1.00 0.00 C ATOM 615 CD PRO A 37 19.626 16.045 -2.548 1.00 0.00 C ATOM 0 HA PRO A 37 20.826 16.605 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.337 14.268 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.892 14.404 -4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.134 14.739 -3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.519 13.903 -2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.833 16.412 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.504 15.883 -1.922 1.00 0.00 H new ATOM 623 N GLU A 38 18.659 16.061 -6.990 1.00 0.00 N ATOM 624 CA GLU A 38 17.569 16.333 -7.920 1.00 0.00 C ATOM 625 C GLU A 38 16.226 15.932 -7.317 1.00 0.00 C ATOM 626 O GLU A 38 15.359 16.776 -7.093 1.00 0.00 O ATOM 627 CB GLU A 38 17.794 15.584 -9.235 1.00 0.00 C ATOM 628 CG GLU A 38 18.190 16.488 -10.391 1.00 0.00 C ATOM 629 CD GLU A 38 18.816 15.724 -11.541 1.00 0.00 C ATOM 630 OE1 GLU A 38 19.885 15.111 -11.334 1.00 0.00 O ATOM 631 OE2 GLU A 38 18.238 15.738 -12.648 1.00 0.00 O ATOM 0 H GLU A 38 19.319 15.352 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 38 17.553 17.405 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.572 14.835 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.882 15.049 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.309 17.020 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.893 17.241 -10.034 1.00 0.00 H new ATOM 638 N GLU A 39 16.063 14.639 -7.057 1.00 0.00 N ATOM 639 CA GLU A 39 14.825 14.127 -6.481 1.00 0.00 C ATOM 640 C GLU A 39 14.390 14.971 -5.287 1.00 0.00 C ATOM 641 O GLU A 39 13.261 15.460 -5.235 1.00 0.00 O ATOM 642 CB GLU A 39 15.001 12.669 -6.051 1.00 0.00 C ATOM 643 CG GLU A 39 14.118 11.697 -6.817 1.00 0.00 C ATOM 644 CD GLU A 39 14.880 10.929 -7.879 1.00 0.00 C ATOM 645 OE1 GLU A 39 15.379 11.567 -8.830 1.00 0.00 O ATOM 646 OE2 GLU A 39 14.976 9.690 -7.760 1.00 0.00 O ATOM 0 H GLU A 39 16.772 13.927 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 39 14.049 14.182 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.044 12.383 -6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.782 12.584 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.668 10.993 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.302 12.246 -7.286 1.00 0.00 H new ATOM 653 N THR A 40 15.294 15.138 -4.327 1.00 0.00 N ATOM 654 CA THR A 40 15.005 15.921 -3.132 1.00 0.00 C ATOM 655 C THR A 40 14.607 17.348 -3.492 1.00 0.00 C ATOM 656 O THR A 40 13.671 17.904 -2.919 1.00 0.00 O ATOM 657 CB THR A 40 16.216 15.963 -2.181 1.00 0.00 C ATOM 658 OG1 THR A 40 16.554 14.636 -1.760 1.00 0.00 O ATOM 659 CG2 THR A 40 15.919 16.826 -0.964 1.00 0.00 C ATOM 0 H THR A 40 16.233 14.741 -4.354 1.00 0.00 H new ATOM 0 HA THR A 40 14.173 15.431 -2.627 1.00 0.00 H new ATOM 0 HB THR A 40 17.058 16.399 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.326 14.671 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.789 16.840 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.690 17.842 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.065 16.415 -0.426 1.00 0.00 H new ATOM 667 N ARG A 41 15.324 17.934 -4.446 1.00 0.00 N ATOM 668 CA ARG A 41 15.045 19.297 -4.882 1.00 0.00 C ATOM 669 C ARG A 41 13.600 19.432 -5.352 1.00 0.00 C ATOM 670 O ARG A 41 12.930 20.420 -5.054 1.00 0.00 O ATOM 671 CB ARG A 41 15.999 19.699 -6.009 1.00 0.00 C ATOM 672 CG ARG A 41 17.273 20.367 -5.518 1.00 0.00 C ATOM 673 CD ARG A 41 18.342 20.389 -6.599 1.00 0.00 C ATOM 674 NE ARG A 41 18.849 21.737 -6.840 1.00 0.00 N ATOM 675 CZ ARG A 41 19.469 22.100 -7.957 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.659 21.220 -8.931 1.00 0.00 N ATOM 677 NH2 ARG A 41 19.902 23.346 -8.103 1.00 0.00 N ATOM 0 H ARG A 41 16.102 17.486 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 41 15.196 19.962 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.262 18.812 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.481 20.377 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.052 21.387 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.649 19.837 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.166 19.739 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.930 19.986 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 41 18.720 22.438 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.329 20.261 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.136 21.502 -9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.759 24.026 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.378 23.623 -8.961 1.00 0.00 H new ATOM 691 N ALA A 42 13.126 18.432 -6.089 1.00 0.00 N ATOM 692 CA ALA A 42 11.761 18.439 -6.599 1.00 0.00 C ATOM 693 C ALA A 42 10.750 18.338 -5.462 1.00 0.00 C ATOM 694 O ALA A 42 9.785 19.102 -5.406 1.00 0.00 O ATOM 695 CB ALA A 42 11.561 17.300 -7.588 1.00 0.00 C ATOM 0 H ALA A 42 13.668 17.607 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 42 11.597 19.386 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.537 17.317 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.253 17.417 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.750 16.349 -7.090 1.00 0.00 H new ATOM 701 N LEU A 43 10.976 17.391 -4.558 1.00 0.00 N ATOM 702 CA LEU A 43 10.083 17.189 -3.422 1.00 0.00 C ATOM 703 C LEU A 43 10.049 18.426 -2.531 1.00 0.00 C ATOM 704 O LEU A 43 8.977 18.928 -2.190 1.00 0.00 O ATOM 705 CB LEU A 43 10.528 15.973 -2.609 1.00 0.00 C ATOM 706 CG LEU A 43 10.868 14.716 -3.411 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.047 13.986 -2.787 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.657 13.798 -3.502 1.00 0.00 C ATOM 0 H LEU A 43 11.770 16.751 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 43 9.079 17.013 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.403 16.254 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.737 15.725 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 43 11.148 15.017 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.274 13.094 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.917 14.643 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.797 13.697 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.917 12.909 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.347 13.505 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.839 14.322 -3.996 1.00 0.00 H new ATOM 720 N TYR A 44 11.227 18.914 -2.159 1.00 0.00 N ATOM 721 CA TYR A 44 11.332 20.093 -1.307 1.00 0.00 C ATOM 722 C TYR A 44 10.624 21.287 -1.940 1.00 0.00 C ATOM 723 O TYR A 44 9.759 21.909 -1.323 1.00 0.00 O ATOM 724 CB TYR A 44 12.800 20.433 -1.050 1.00 0.00 C ATOM 725 CG TYR A 44 13.469 19.517 -0.050 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.818 18.387 0.430 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.752 19.781 0.414 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.424 17.548 1.344 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.366 18.946 1.327 1.00 0.00 C ATOM 730 CZ TYR A 44 14.699 17.832 1.790 1.00 0.00 C ATOM 731 OH TYR A 44 15.307 16.997 2.699 1.00 0.00 O ATOM 0 H TYR A 44 12.123 18.511 -2.434 1.00 0.00 H new ATOM 0 HA TYR A 44 10.847 19.868 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.345 20.387 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.869 21.460 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.821 18.161 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.278 20.653 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.903 16.675 1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.364 19.165 1.677 1.00 0.00 H new ATOM 0 HH TYR A 44 16.202 17.338 2.909 1.00 0.00 H new ATOM 741 N ARG A 45 10.998 21.601 -3.176 1.00 0.00 N ATOM 742 CA ARG A 45 10.401 22.720 -3.894 1.00 0.00 C ATOM 743 C ARG A 45 8.916 22.477 -4.143 1.00 0.00 C ATOM 744 O ARG A 45 8.141 23.419 -4.301 1.00 0.00 O ATOM 745 CB ARG A 45 11.122 22.943 -5.225 1.00 0.00 C ATOM 746 CG ARG A 45 11.213 24.405 -5.631 1.00 0.00 C ATOM 747 CD ARG A 45 12.496 24.693 -6.395 1.00 0.00 C ATOM 748 NE ARG A 45 12.243 24.963 -7.808 1.00 0.00 N ATOM 749 CZ ARG A 45 13.206 25.125 -8.709 1.00 0.00 C ATOM 750 NH1 ARG A 45 14.479 25.043 -8.346 1.00 0.00 N ATOM 751 NH2 ARG A 45 12.896 25.369 -9.976 1.00 0.00 N ATOM 0 H ARG A 45 11.712 21.096 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 45 10.507 23.612 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.129 22.530 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.603 22.389 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.354 24.666 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.169 25.034 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.000 25.549 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.171 23.842 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 45 11.274 25.031 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.721 24.855 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.216 25.168 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.918 25.432 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.636 25.493 -10.667 1.00 0.00 H new ATOM 765 N GLU A 46 8.527 21.206 -4.177 1.00 0.00 N ATOM 766 CA GLU A 46 7.135 20.839 -4.408 1.00 0.00 C ATOM 767 C GLU A 46 6.257 21.273 -3.238 1.00 0.00 C ATOM 768 O GLU A 46 5.340 22.079 -3.402 1.00 0.00 O ATOM 769 CB GLU A 46 7.011 19.329 -4.620 1.00 0.00 C ATOM 770 CG GLU A 46 6.928 18.924 -6.082 1.00 0.00 C ATOM 771 CD GLU A 46 6.931 17.420 -6.272 1.00 0.00 C ATOM 772 OE1 GLU A 46 8.002 16.802 -6.103 1.00 0.00 O ATOM 773 OE2 GLU A 46 5.860 16.861 -6.590 1.00 0.00 O ATOM 0 H GLU A 46 9.156 20.414 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 46 6.794 21.354 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.868 18.835 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.122 18.970 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.020 19.340 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.770 19.356 -6.623 1.00 0.00 H new ATOM 780 N TYR A 47 6.543 20.734 -2.059 1.00 0.00 N ATOM 781 CA TYR A 47 5.778 21.062 -0.862 1.00 0.00 C ATOM 782 C TYR A 47 6.020 22.509 -0.441 1.00 0.00 C ATOM 783 O TYR A 47 5.171 23.131 0.197 1.00 0.00 O ATOM 784 CB TYR A 47 6.151 20.118 0.282 1.00 0.00 C ATOM 785 CG TYR A 47 5.028 19.890 1.269 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.107 18.867 1.079 1.00 0.00 C ATOM 787 CD2 TYR A 47 4.889 20.696 2.392 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.079 18.656 1.978 1.00 0.00 C ATOM 789 CE2 TYR A 47 3.866 20.491 3.297 1.00 0.00 C ATOM 790 CZ TYR A 47 2.963 19.470 3.085 1.00 0.00 C ATOM 791 OH TYR A 47 1.941 19.262 3.983 1.00 0.00 O ATOM 0 H TYR A 47 7.300 20.067 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 47 4.720 20.941 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.458 19.159 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.012 20.525 0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.196 18.226 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.593 21.497 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.370 17.858 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.774 21.126 4.165 1.00 0.00 H new ATOM 0 HH TYR A 47 2.002 19.920 4.706 1.00 0.00 H new ATOM 801 N ARG A 48 7.184 23.037 -0.804 1.00 0.00 N ATOM 802 CA ARG A 48 7.539 24.410 -0.464 1.00 0.00 C ATOM 803 C ARG A 48 6.745 25.402 -1.310 1.00 0.00 C ATOM 804 O ARG A 48 6.273 26.423 -0.809 1.00 0.00 O ATOM 805 CB ARG A 48 9.038 24.636 -0.667 1.00 0.00 C ATOM 806 CG ARG A 48 9.444 26.101 -0.626 1.00 0.00 C ATOM 807 CD ARG A 48 9.684 26.652 -2.022 1.00 0.00 C ATOM 808 NE ARG A 48 9.046 27.952 -2.215 1.00 0.00 N ATOM 809 CZ ARG A 48 8.851 28.505 -3.407 1.00 0.00 C ATOM 810 NH1 ARG A 48 9.241 27.875 -4.506 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.263 29.691 -3.500 1.00 0.00 N ATOM 0 H ARG A 48 7.897 22.535 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 48 7.292 24.574 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.586 24.094 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.334 24.212 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.664 26.682 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.349 26.212 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.756 26.745 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.302 25.947 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 48 8.733 28.463 -1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.692 26.963 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.090 28.302 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.961 30.178 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.113 30.116 -4.415 1.00 0.00 H new ATOM 825 N THR A 49 6.602 25.094 -2.595 1.00 0.00 N ATOM 826 CA THR A 49 5.867 25.959 -3.510 1.00 0.00 C ATOM 827 C THR A 49 4.366 25.873 -3.261 1.00 0.00 C ATOM 828 O THR A 49 3.658 26.879 -3.322 1.00 0.00 O ATOM 829 CB THR A 49 6.154 25.594 -4.979 1.00 0.00 C ATOM 830 OG1 THR A 49 7.545 25.776 -5.266 1.00 0.00 O ATOM 831 CG2 THR A 49 5.320 26.449 -5.921 1.00 0.00 C ATOM 0 H THR A 49 6.985 24.253 -3.026 1.00 0.00 H new ATOM 0 HA THR A 49 6.206 26.978 -3.323 1.00 0.00 H new ATOM 0 HB THR A 49 5.887 24.548 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.070 25.107 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.539 26.174 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.261 26.286 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.561 27.501 -5.767 1.00 0.00 H new ATOM 839 N LEU A 50 3.885 24.667 -2.980 1.00 0.00 N ATOM 840 CA LEU A 50 2.466 24.451 -2.720 1.00 0.00 C ATOM 841 C LEU A 50 2.060 25.052 -1.379 1.00 0.00 C ATOM 842 O LEU A 50 0.987 25.643 -1.250 1.00 0.00 O ATOM 843 CB LEU A 50 2.147 22.955 -2.738 1.00 0.00 C ATOM 844 CG LEU A 50 2.328 22.246 -4.081 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.596 20.764 -3.870 1.00 0.00 C ATOM 846 CD2 LEU A 50 1.104 22.449 -4.962 1.00 0.00 C ATOM 0 H LEU A 50 4.457 23.824 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 50 1.898 24.948 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.779 22.460 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.115 22.820 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 50 3.190 22.682 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.722 20.276 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.503 20.639 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.755 20.314 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.251 21.937 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.225 22.041 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.958 23.514 -5.142 1.00 0.00 H new ATOM 858 N LYS A 51 2.925 24.900 -0.382 1.00 0.00 N ATOM 859 CA LYS A 51 2.659 25.431 0.950 1.00 0.00 C ATOM 860 C LYS A 51 2.787 26.951 0.965 1.00 0.00 C ATOM 861 O LYS A 51 1.992 27.644 1.600 1.00 0.00 O ATOM 862 CB LYS A 51 3.624 24.818 1.968 1.00 0.00 C ATOM 863 CG LYS A 51 3.555 25.468 3.339 1.00 0.00 C ATOM 864 CD LYS A 51 3.656 24.436 4.450 1.00 0.00 C ATOM 865 CE LYS A 51 4.303 25.021 5.696 1.00 0.00 C ATOM 866 NZ LYS A 51 3.350 25.087 6.838 1.00 0.00 N ATOM 0 H LYS A 51 3.817 24.413 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 51 1.637 25.167 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.406 23.755 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.642 24.901 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.362 26.193 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.619 26.018 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.661 24.065 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.238 23.582 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.164 24.415 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.676 26.021 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.830 25.491 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.540 25.686 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.014 24.129 7.065 1.00 0.00 H new ATOM 880 N ARG A 52 3.791 27.463 0.261 1.00 0.00 N ATOM 881 CA ARG A 52 4.022 28.901 0.194 1.00 0.00 C ATOM 882 C ARG A 52 2.887 29.600 -0.550 1.00 0.00 C ATOM 883 O ARG A 52 2.349 30.605 -0.083 1.00 0.00 O ATOM 884 CB ARG A 52 5.355 29.194 -0.497 1.00 0.00 C ATOM 885 CG ARG A 52 6.559 29.054 0.419 1.00 0.00 C ATOM 886 CD ARG A 52 6.535 30.088 1.533 1.00 0.00 C ATOM 887 NE ARG A 52 7.762 30.070 2.325 1.00 0.00 N ATOM 888 CZ ARG A 52 7.993 29.200 3.302 1.00 0.00 C ATOM 889 NH1 ARG A 52 7.085 28.283 3.607 1.00 0.00 N ATOM 890 NH2 ARG A 52 9.134 29.246 3.977 1.00 0.00 N ATOM 0 H ARG A 52 4.458 26.903 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 52 4.057 29.285 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.472 28.517 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.331 30.207 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.575 28.053 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.474 29.165 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.396 31.080 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.681 29.900 2.184 1.00 0.00 H new ATOM 0 HE ARG A 52 8.481 30.763 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.206 28.244 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.266 27.616 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.835 29.950 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.310 28.577 4.727 1.00 0.00 H new ATOM 904 N THR A 53 2.528 29.061 -1.711 1.00 0.00 N ATOM 905 CA THR A 53 1.459 29.633 -2.521 1.00 0.00 C ATOM 906 C THR A 53 0.108 29.484 -1.831 1.00 0.00 C ATOM 907 O THR A 53 -0.613 30.464 -1.636 1.00 0.00 O ATOM 908 CB THR A 53 1.389 28.969 -3.909 1.00 0.00 C ATOM 909 OG1 THR A 53 1.189 27.558 -3.768 1.00 0.00 O ATOM 910 CG2 THR A 53 2.664 29.230 -4.698 1.00 0.00 C ATOM 0 H THR A 53 2.962 28.229 -2.112 1.00 0.00 H new ATOM 0 HA THR A 53 1.687 30.692 -2.644 1.00 0.00 H new ATOM 0 HB THR A 53 0.549 29.401 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.046 27.124 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.592 28.752 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.797 30.304 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.517 28.822 -4.156 1.00 0.00 H new