USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 149:sc= -3.46! (180deg=-5.35!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 21 SER OG : rot 100:sc= -0.861 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -10:sc= 0.0607 USER MOD Single : A 47 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.83) USER MOD Single : A 61 TYR OH : rot 82:sc= 0.657 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -114:sc= -4.19! (180deg=-9.18!) USER MOD Single : A 72 HIS : no HD1:sc= -4.16! K(o=-4.2!,f=-3.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-9.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.762 -2.900 2.460 1.00 0.00 N ATOM 63 CA LEU A 8 12.989 -1.670 2.416 1.00 0.00 C ATOM 64 C LEU A 8 11.829 -1.837 1.432 1.00 0.00 C ATOM 65 O LEU A 8 10.667 -1.682 1.805 1.00 0.00 O ATOM 66 CB LEU A 8 13.895 -0.478 2.101 1.00 0.00 C ATOM 67 CG LEU A 8 14.504 0.237 3.308 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.174 1.548 2.888 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.459 0.454 4.404 1.00 0.00 C ATOM 0 HA LEU A 8 12.552 -1.460 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.707 -0.823 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.321 0.248 1.525 1.00 0.00 H new ATOM 0 HG LEU A 8 15.281 -0.403 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.599 2.037 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.967 1.338 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.434 2.204 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.920 0.964 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.643 1.062 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.069 -0.510 4.730 1.00 0.00 H new ATOM 80 N ARG A 9 12.184 -2.151 0.196 1.00 0.00 N ATOM 81 CA ARG A 9 11.187 -2.341 -0.845 1.00 0.00 C ATOM 82 C ARG A 9 10.341 -3.581 -0.549 1.00 0.00 C ATOM 83 O ARG A 9 9.195 -3.673 -0.986 1.00 0.00 O ATOM 84 CB ARG A 9 11.845 -2.497 -2.217 1.00 0.00 C ATOM 85 CG ARG A 9 10.793 -2.586 -3.324 1.00 0.00 C ATOM 86 CD ARG A 9 10.600 -4.033 -3.782 1.00 0.00 C ATOM 87 NE ARG A 9 11.882 -4.582 -4.277 1.00 0.00 N ATOM 88 CZ ARG A 9 12.009 -5.778 -4.869 1.00 0.00 C ATOM 89 NH1 ARG A 9 10.933 -6.556 -5.043 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.213 -6.194 -5.286 1.00 0.00 N ATOM 0 H ARG A 9 13.149 -2.279 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 9 10.550 -1.457 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.505 -1.651 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.465 -3.393 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.846 -2.186 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.098 -1.970 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.231 -4.639 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.848 -4.077 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 9 12.722 -4.015 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.017 -6.238 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.029 -7.466 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.032 -5.601 -5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.310 -7.104 -5.737 1.00 0.00 H new ATOM 101 N LYS A 10 10.939 -4.503 0.192 1.00 0.00 N ATOM 102 CA LYS A 10 10.254 -5.733 0.551 1.00 0.00 C ATOM 103 C LYS A 10 9.250 -5.446 1.669 1.00 0.00 C ATOM 104 O LYS A 10 8.171 -6.033 1.705 1.00 0.00 O ATOM 105 CB LYS A 10 11.266 -6.827 0.900 1.00 0.00 C ATOM 106 CG LYS A 10 10.604 -7.951 1.700 1.00 0.00 C ATOM 107 CD LYS A 10 9.345 -8.458 0.994 1.00 0.00 C ATOM 108 CE LYS A 10 8.183 -8.600 1.978 1.00 0.00 C ATOM 109 NZ LYS A 10 7.871 -10.028 2.211 1.00 0.00 N ATOM 0 H LYS A 10 11.890 -4.423 0.553 1.00 0.00 H new ATOM 0 HA LYS A 10 9.686 -6.114 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.698 -7.233 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.085 -6.399 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.308 -8.773 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.347 -7.591 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.068 -7.768 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.549 -9.421 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.438 -8.119 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.303 -8.089 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.080 -10.106 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.607 -10.477 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.706 -10.506 2.605 1.00 0.00 H new ATOM 119 N MET A 11 9.642 -4.541 2.554 1.00 0.00 N ATOM 120 CA MET A 11 8.790 -4.167 3.670 1.00 0.00 C ATOM 121 C MET A 11 7.514 -3.480 3.180 1.00 0.00 C ATOM 122 O MET A 11 6.411 -3.972 3.411 1.00 0.00 O ATOM 123 CB MET A 11 9.552 -3.225 4.603 1.00 0.00 C ATOM 124 CG MET A 11 10.081 -3.974 5.828 1.00 0.00 C ATOM 125 SD MET A 11 9.910 -2.957 7.285 1.00 0.00 S ATOM 126 CE MET A 11 11.227 -1.785 7.001 1.00 0.00 C ATOM 0 H MET A 11 10.539 -4.056 2.521 1.00 0.00 H new ATOM 0 HA MET A 11 8.509 -5.073 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.383 -2.768 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.896 -2.415 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.533 -4.907 5.959 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.128 -4.238 5.679 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.959 -0.823 7.438 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.145 -2.150 7.462 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.383 -1.665 5.929 1.00 0.00 H new ATOM 134 N VAL A 12 7.708 -2.351 2.512 1.00 0.00 N ATOM 135 CA VAL A 12 6.586 -1.590 1.988 1.00 0.00 C ATOM 136 C VAL A 12 5.751 -2.488 1.074 1.00 0.00 C ATOM 137 O VAL A 12 4.529 -2.352 1.012 1.00 0.00 O ATOM 138 CB VAL A 12 7.093 -0.329 1.286 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.383 -0.612 0.513 1.00 0.00 C ATOM 140 CG2 VAL A 12 6.019 0.255 0.366 1.00 0.00 C ATOM 0 H VAL A 12 8.625 -1.946 2.322 1.00 0.00 H new ATOM 0 HA VAL A 12 5.937 -1.257 2.798 1.00 0.00 H new ATOM 0 HB VAL A 12 7.318 0.413 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.722 0.301 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.152 -0.960 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.196 -1.379 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.405 1.151 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.748 -0.481 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.138 0.512 0.953 1.00 0.00 H new ATOM 150 N GLU A 13 6.441 -3.386 0.386 1.00 0.00 N ATOM 151 CA GLU A 13 5.776 -4.306 -0.522 1.00 0.00 C ATOM 152 C GLU A 13 4.557 -4.934 0.156 1.00 0.00 C ATOM 153 O GLU A 13 3.462 -4.934 -0.404 1.00 0.00 O ATOM 154 CB GLU A 13 6.745 -5.383 -1.016 1.00 0.00 C ATOM 155 CG GLU A 13 7.366 -4.988 -2.357 1.00 0.00 C ATOM 156 CD GLU A 13 6.462 -5.395 -3.522 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.246 -5.124 -3.419 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.007 -5.969 -4.490 1.00 0.00 O ATOM 0 H GLU A 13 7.454 -3.496 0.439 1.00 0.00 H new ATOM 0 HA GLU A 13 5.433 -3.745 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.532 -5.536 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.218 -6.331 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.533 -3.911 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.340 -5.464 -2.465 1.00 0.00 H new ATOM 163 N GLU A 14 4.788 -5.454 1.353 1.00 0.00 N ATOM 164 CA GLU A 14 3.721 -6.084 2.113 1.00 0.00 C ATOM 165 C GLU A 14 2.741 -5.027 2.627 1.00 0.00 C ATOM 166 O GLU A 14 1.527 -5.220 2.563 1.00 0.00 O ATOM 167 CB GLU A 14 4.288 -6.914 3.268 1.00 0.00 C ATOM 168 CG GLU A 14 4.330 -6.097 4.560 1.00 0.00 C ATOM 169 CD GLU A 14 5.003 -6.887 5.686 1.00 0.00 C ATOM 170 OE1 GLU A 14 5.940 -7.648 5.363 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.563 -6.711 6.842 1.00 0.00 O ATOM 0 H GLU A 14 5.697 -5.452 1.815 1.00 0.00 H new ATOM 0 HA GLU A 14 3.181 -6.762 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.676 -7.804 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.292 -7.256 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.872 -5.167 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.317 -5.826 4.856 1.00 0.00 H new ATOM 176 N VAL A 15 3.303 -3.936 3.124 1.00 0.00 N ATOM 177 CA VAL A 15 2.493 -2.849 3.648 1.00 0.00 C ATOM 178 C VAL A 15 1.312 -2.601 2.709 1.00 0.00 C ATOM 179 O VAL A 15 0.169 -2.899 3.050 1.00 0.00 O ATOM 180 CB VAL A 15 3.360 -1.606 3.861 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.495 -0.350 3.985 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.265 -1.772 5.083 1.00 0.00 C ATOM 0 H VAL A 15 4.310 -3.781 3.175 1.00 0.00 H new ATOM 0 HA VAL A 15 2.083 -3.113 4.623 1.00 0.00 H new ATOM 0 HB VAL A 15 3.998 -1.488 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.135 0.519 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.912 -0.218 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.820 -0.455 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.871 -0.875 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.652 -1.927 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.918 -2.633 4.938 1.00 0.00 H new ATOM 192 N PHE A 16 1.629 -2.055 1.543 1.00 0.00 N ATOM 193 CA PHE A 16 0.608 -1.762 0.551 1.00 0.00 C ATOM 194 C PHE A 16 -0.348 -2.945 0.383 1.00 0.00 C ATOM 195 O PHE A 16 -1.545 -2.755 0.176 1.00 0.00 O ATOM 196 CB PHE A 16 1.330 -1.513 -0.774 1.00 0.00 C ATOM 197 CG PHE A 16 1.917 -0.106 -0.908 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.205 0.971 -0.479 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.149 0.068 -1.457 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.749 2.276 -0.603 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.693 1.373 -1.581 1.00 0.00 C ATOM 202 CZ PHE A 16 2.982 2.450 -1.152 1.00 0.00 C ATOM 0 H PHE A 16 2.578 -1.808 1.264 1.00 0.00 H new ATOM 0 HA PHE A 16 0.022 -0.897 0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.133 -2.242 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.632 -1.684 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.226 0.833 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.714 -0.787 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.184 3.131 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.672 1.511 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.396 3.443 -1.247 1.00 0.00 H new ATOM 211 N ASP A 17 0.216 -4.139 0.480 1.00 0.00 N ATOM 212 CA ASP A 17 -0.571 -5.353 0.340 1.00 0.00 C ATOM 213 C ASP A 17 -1.516 -5.482 1.536 1.00 0.00 C ATOM 214 O ASP A 17 -2.735 -5.462 1.372 1.00 0.00 O ATOM 215 CB ASP A 17 0.327 -6.592 0.312 1.00 0.00 C ATOM 216 CG ASP A 17 0.478 -7.250 -1.061 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.628 -6.490 -2.042 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.438 -8.499 -1.098 1.00 0.00 O ATOM 0 H ASP A 17 1.209 -4.293 0.654 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.126 -5.289 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.316 -6.314 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.073 -7.328 1.009 1.00 0.00 H new ATOM 222 N VAL A 18 -0.919 -5.611 2.711 1.00 0.00 N ATOM 223 CA VAL A 18 -1.692 -5.743 3.934 1.00 0.00 C ATOM 224 C VAL A 18 -2.844 -4.734 3.915 1.00 0.00 C ATOM 225 O VAL A 18 -4.011 -5.120 3.944 1.00 0.00 O ATOM 226 CB VAL A 18 -0.779 -5.584 5.151 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.576 -5.143 6.381 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.010 -6.877 5.431 1.00 0.00 C ATOM 0 H VAL A 18 0.092 -5.627 2.842 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.131 -6.738 4.002 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.052 -4.803 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.903 -5.037 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.058 -4.186 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.336 -5.891 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.632 -6.738 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.715 -7.685 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.602 -7.131 4.566 1.00 0.00 H new ATOM 238 N LEU A 19 -2.473 -3.463 3.868 1.00 0.00 N ATOM 239 CA LEU A 19 -3.460 -2.397 3.845 1.00 0.00 C ATOM 240 C LEU A 19 -4.587 -2.771 2.879 1.00 0.00 C ATOM 241 O LEU A 19 -5.730 -2.955 3.294 1.00 0.00 O ATOM 242 CB LEU A 19 -2.794 -1.057 3.525 1.00 0.00 C ATOM 243 CG LEU A 19 -1.626 -0.657 4.426 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.325 0.839 4.303 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.884 -1.072 5.877 1.00 0.00 C ATOM 0 H LEU A 19 -1.503 -3.148 3.845 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.912 -2.275 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.439 -1.087 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.552 -0.275 3.578 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.738 -1.193 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.490 1.097 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.066 1.074 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.204 1.412 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.037 -0.775 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.788 -0.583 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.010 -2.153 5.929 1.00 0.00 H new ATOM 256 N TYR A 20 -4.224 -2.872 1.609 1.00 0.00 N ATOM 257 CA TYR A 20 -5.190 -3.220 0.580 1.00 0.00 C ATOM 258 C TYR A 20 -6.094 -4.364 1.042 1.00 0.00 C ATOM 259 O TYR A 20 -7.317 -4.276 0.935 1.00 0.00 O ATOM 260 CB TYR A 20 -4.372 -3.688 -0.626 1.00 0.00 C ATOM 261 CG TYR A 20 -5.219 -4.095 -1.832 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.282 -3.308 -2.226 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.920 -5.250 -2.527 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.079 -3.692 -3.362 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.718 -5.634 -3.663 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.758 -4.835 -4.024 1.00 0.00 C ATOM 267 OH TYR A 20 -7.511 -5.198 -5.097 1.00 0.00 O ATOM 0 H TYR A 20 -3.275 -2.719 1.269 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.827 -2.367 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.694 -2.888 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.754 -4.535 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.516 -2.405 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.088 -5.866 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.914 -3.085 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.496 -6.535 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.165 -6.035 -5.471 1.00 0.00 H new ATOM 276 N SER A 21 -5.459 -5.411 1.546 1.00 0.00 N ATOM 277 CA SER A 21 -6.191 -6.571 2.024 1.00 0.00 C ATOM 278 C SER A 21 -7.136 -6.163 3.157 1.00 0.00 C ATOM 279 O SER A 21 -8.274 -6.628 3.218 1.00 0.00 O ATOM 280 CB SER A 21 -5.236 -7.668 2.500 1.00 0.00 C ATOM 281 OG SER A 21 -4.681 -8.402 1.412 1.00 0.00 O ATOM 0 H SER A 21 -4.445 -5.480 1.634 1.00 0.00 H new ATOM 0 HA SER A 21 -6.777 -6.970 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.431 -7.220 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.769 -8.350 3.163 1.00 0.00 H new ATOM 0 HG SER A 21 -3.777 -8.074 1.223 1.00 0.00 H new ATOM 286 N GLU A 22 -6.630 -5.300 4.024 1.00 0.00 N ATOM 287 CA GLU A 22 -7.415 -4.824 5.150 1.00 0.00 C ATOM 288 C GLU A 22 -8.669 -4.101 4.655 1.00 0.00 C ATOM 289 O GLU A 22 -9.768 -4.344 5.154 1.00 0.00 O ATOM 290 CB GLU A 22 -6.580 -3.915 6.056 1.00 0.00 C ATOM 291 CG GLU A 22 -5.510 -4.716 6.799 1.00 0.00 C ATOM 292 CD GLU A 22 -5.482 -4.349 8.284 1.00 0.00 C ATOM 293 OE1 GLU A 22 -4.838 -3.326 8.604 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.105 -5.098 9.065 1.00 0.00 O ATOM 0 H GLU A 22 -5.686 -4.918 3.970 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.725 -5.686 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.107 -3.136 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.230 -3.415 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.707 -5.782 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.533 -4.524 6.355 1.00 0.00 H new ATOM 299 N ALA A 23 -8.465 -3.227 3.680 1.00 0.00 N ATOM 300 CA ALA A 23 -9.565 -2.467 3.113 1.00 0.00 C ATOM 301 C ALA A 23 -10.486 -3.413 2.339 1.00 0.00 C ATOM 302 O ALA A 23 -11.703 -3.234 2.335 1.00 0.00 O ATOM 303 CB ALA A 23 -9.011 -1.344 2.234 1.00 0.00 C ATOM 0 H ALA A 23 -7.553 -3.029 3.268 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.157 -2.001 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.837 -0.774 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.387 -0.684 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.414 -1.773 1.429 1.00 0.00 H new ATOM 309 N LEU A 24 -9.871 -4.399 1.703 1.00 0.00 N ATOM 310 CA LEU A 24 -10.619 -5.373 0.927 1.00 0.00 C ATOM 311 C LEU A 24 -11.342 -6.329 1.879 1.00 0.00 C ATOM 312 O LEU A 24 -12.329 -6.957 1.501 1.00 0.00 O ATOM 313 CB LEU A 24 -9.703 -6.077 -0.076 1.00 0.00 C ATOM 314 CG LEU A 24 -9.872 -5.668 -1.540 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.801 -6.319 -2.418 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.286 -5.977 -2.037 1.00 0.00 C ATOM 0 H LEU A 24 -8.861 -4.544 1.709 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.385 -4.878 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.669 -5.893 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.869 -7.151 0.002 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.735 -4.589 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.944 -6.012 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.813 -6.006 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.882 -7.404 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.379 -5.676 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.477 -7.047 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.011 -5.429 -1.436 1.00 0.00 H new ATOM 327 N GLY A 25 -10.820 -6.409 3.095 1.00 0.00 N ATOM 328 CA GLY A 25 -11.403 -7.279 4.102 1.00 0.00 C ATOM 329 C GLY A 25 -11.285 -8.748 3.693 1.00 0.00 C ATOM 330 O GLY A 25 -12.257 -9.497 3.771 1.00 0.00 O ATOM 0 H GLY A 25 -10.001 -5.886 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.902 -7.122 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.452 -7.021 4.247 1.00 0.00 H new ATOM 334 N ARG A 26 -10.087 -9.116 3.267 1.00 0.00 N ATOM 335 CA ARG A 26 -9.829 -10.483 2.845 1.00 0.00 C ATOM 336 C ARG A 26 -9.113 -11.255 3.954 1.00 0.00 C ATOM 337 O ARG A 26 -8.742 -10.679 4.977 1.00 0.00 O ATOM 338 CB ARG A 26 -8.974 -10.516 1.576 1.00 0.00 C ATOM 339 CG ARG A 26 -9.678 -9.799 0.423 1.00 0.00 C ATOM 340 CD ARG A 26 -10.179 -10.798 -0.621 1.00 0.00 C ATOM 341 NE ARG A 26 -11.565 -10.464 -1.018 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.157 -10.913 -2.133 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.487 -11.719 -2.969 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.418 -10.557 -2.412 1.00 0.00 N ATOM 0 H ARG A 26 -9.283 -8.492 3.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.790 -10.951 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.011 -10.043 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.771 -11.550 1.297 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.517 -9.220 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.991 -9.093 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.528 -10.781 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.142 -11.809 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.104 -9.853 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.527 -11.990 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.937 -12.061 -3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.928 -9.944 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.869 -10.899 -3.261 1.00 0.00 H new ATOM 355 N ALA A 27 -8.938 -12.546 3.716 1.00 0.00 N ATOM 356 CA ALA A 27 -8.273 -13.402 4.682 1.00 0.00 C ATOM 357 C ALA A 27 -6.778 -13.462 4.360 1.00 0.00 C ATOM 358 O ALA A 27 -5.941 -13.323 5.251 1.00 0.00 O ATOM 359 CB ALA A 27 -8.926 -14.786 4.675 1.00 0.00 C ATOM 0 H ALA A 27 -9.246 -13.020 2.867 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.378 -12.997 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.426 -15.428 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.980 -14.693 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.838 -15.225 3.681 1.00 0.00 H new ATOM 365 N SER A 28 -6.488 -13.671 3.084 1.00 0.00 N ATOM 366 CA SER A 28 -5.109 -13.751 2.634 1.00 0.00 C ATOM 367 C SER A 28 -4.631 -12.375 2.162 1.00 0.00 C ATOM 368 O SER A 28 -5.443 -11.487 1.907 1.00 0.00 O ATOM 369 CB SER A 28 -4.955 -14.779 1.512 1.00 0.00 C ATOM 370 OG SER A 28 -5.649 -15.990 1.798 1.00 0.00 O ATOM 0 H SER A 28 -7.184 -13.787 2.348 1.00 0.00 H new ATOM 0 HA SER A 28 -4.494 -14.074 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.331 -14.357 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.897 -14.994 1.361 1.00 0.00 H new ATOM 0 HG SER A 28 -5.527 -16.620 1.057 1.00 0.00 H new ATOM 375 N VAL A 29 -3.317 -12.243 2.062 1.00 0.00 N ATOM 376 CA VAL A 29 -2.722 -10.991 1.626 1.00 0.00 C ATOM 377 C VAL A 29 -2.561 -11.010 0.104 1.00 0.00 C ATOM 378 O VAL A 29 -1.647 -11.646 -0.418 1.00 0.00 O ATOM 379 CB VAL A 29 -1.403 -10.754 2.363 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.726 -9.470 1.878 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.619 -10.721 3.877 1.00 0.00 C ATOM 0 H VAL A 29 -2.647 -12.982 2.275 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.373 -10.153 1.874 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.739 -11.589 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.210 -9.326 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.520 -9.548 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.385 -8.621 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.665 -10.551 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.309 -9.916 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.037 -11.673 4.206 1.00 0.00 H new ATOM 391 N VAL A 30 -3.464 -10.306 -0.563 1.00 0.00 N ATOM 392 CA VAL A 30 -3.434 -10.234 -2.014 1.00 0.00 C ATOM 393 C VAL A 30 -2.447 -9.147 -2.446 1.00 0.00 C ATOM 394 O VAL A 30 -2.138 -8.242 -1.673 1.00 0.00 O ATOM 395 CB VAL A 30 -4.846 -10.011 -2.556 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.667 -11.301 -2.498 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.549 -8.879 -1.804 1.00 0.00 C ATOM 0 H VAL A 30 -4.221 -9.781 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.084 -11.176 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.760 -9.716 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.667 -11.114 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.180 -12.069 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.740 -11.640 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.551 -8.741 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.617 -9.132 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.980 -7.957 -1.921 1.00 0.00 H new ATOM 407 N PRO A 31 -1.970 -9.275 -3.712 1.00 0.00 N ATOM 408 CA PRO A 31 -1.025 -8.315 -4.257 1.00 0.00 C ATOM 409 C PRO A 31 -1.724 -7.002 -4.617 1.00 0.00 C ATOM 410 O PRO A 31 -2.939 -6.880 -4.465 1.00 0.00 O ATOM 411 CB PRO A 31 -0.408 -9.008 -5.460 1.00 0.00 C ATOM 412 CG PRO A 31 -1.356 -10.140 -5.821 1.00 0.00 C ATOM 413 CD PRO A 31 -2.314 -10.334 -4.656 1.00 0.00 C ATOM 0 HA PRO A 31 -0.255 -8.030 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.292 -8.315 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.585 -9.391 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.906 -9.902 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.800 -11.057 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.352 -10.254 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.195 -11.320 -4.206 1.00 0.00 H new ATOM 418 N LEU A 32 -0.927 -6.054 -5.087 1.00 0.00 N ATOM 419 CA LEU A 32 -1.454 -4.755 -5.468 1.00 0.00 C ATOM 420 C LEU A 32 -1.123 -4.487 -6.938 1.00 0.00 C ATOM 421 O LEU A 32 -0.011 -4.071 -7.262 1.00 0.00 O ATOM 422 CB LEU A 32 -0.948 -3.669 -4.517 1.00 0.00 C ATOM 423 CG LEU A 32 -1.169 -2.224 -4.968 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.553 -2.051 -5.596 1.00 0.00 C ATOM 425 CD2 LEU A 32 -0.936 -1.248 -3.814 1.00 0.00 C ATOM 0 H LEU A 32 0.080 -6.160 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.540 -4.744 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.434 -3.805 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.120 -3.820 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.435 -1.991 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.684 -1.015 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.643 -2.705 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.319 -2.310 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.100 -0.228 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.630 -1.471 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.088 -1.349 -3.453 1.00 0.00 H new ATOM 436 N PRO A 33 -2.134 -4.743 -7.812 1.00 0.00 N ATOM 437 CA PRO A 33 -1.960 -4.535 -9.239 1.00 0.00 C ATOM 438 C PRO A 33 -1.995 -3.045 -9.583 1.00 0.00 C ATOM 439 O PRO A 33 -2.989 -2.549 -10.111 1.00 0.00 O ATOM 440 CB PRO A 33 -3.086 -5.322 -9.891 1.00 0.00 C ATOM 441 CG PRO A 33 -4.116 -5.558 -8.799 1.00 0.00 C ATOM 442 CD PRO A 33 -3.463 -5.238 -7.464 1.00 0.00 C ATOM 0 HA PRO A 33 -0.991 -4.879 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.519 -4.767 -10.723 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.720 -6.267 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.991 -4.927 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.461 -6.592 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.033 -4.490 -6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.403 -6.123 -6.830 1.00 0.00 H new ATOM 447 N TYR A 34 -0.896 -2.373 -9.271 1.00 0.00 N ATOM 448 CA TYR A 34 -0.789 -0.949 -9.541 1.00 0.00 C ATOM 449 C TYR A 34 -1.199 -0.631 -10.980 1.00 0.00 C ATOM 450 O TYR A 34 -2.003 0.271 -11.215 1.00 0.00 O ATOM 451 CB TYR A 34 0.688 -0.595 -9.354 1.00 0.00 C ATOM 452 CG TYR A 34 1.171 -0.683 -7.905 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.949 0.369 -7.039 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.828 -1.813 -7.464 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.403 0.287 -5.676 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.283 -1.894 -6.100 1.00 0.00 C ATOM 457 CZ TYR A 34 2.048 -0.841 -5.273 1.00 0.00 C ATOM 458 OH TYR A 34 2.477 -0.919 -3.985 1.00 0.00 O ATOM 0 H TYR A 34 -0.073 -2.788 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.443 -0.382 -8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.292 -1.263 -9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.858 0.417 -9.722 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.435 1.254 -7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.001 -2.636 -8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.235 1.103 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.800 -2.772 -5.742 1.00 0.00 H new ATOM 0 HH TYR A 34 2.386 -0.042 -3.556 1.00 0.00 H new ATOM 467 N GLU A 35 -0.630 -1.389 -11.905 1.00 0.00 N ATOM 468 CA GLU A 35 -0.926 -1.200 -13.315 1.00 0.00 C ATOM 469 C GLU A 35 -2.432 -1.017 -13.520 1.00 0.00 C ATOM 470 O GLU A 35 -2.857 -0.330 -14.448 1.00 0.00 O ATOM 471 CB GLU A 35 -0.397 -2.367 -14.148 1.00 0.00 C ATOM 472 CG GLU A 35 -0.966 -3.698 -13.652 1.00 0.00 C ATOM 473 CD GLU A 35 -0.454 -4.864 -14.501 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.684 -5.305 -14.232 1.00 0.00 O ATOM 475 OE2 GLU A 35 -1.213 -5.288 -15.400 1.00 0.00 O ATOM 0 H GLU A 35 0.035 -2.136 -11.706 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.420 -0.297 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.663 -2.221 -15.195 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.692 -2.391 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.686 -3.852 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.055 -3.668 -13.688 1.00 0.00 H new ATOM 480 N ARG A 36 -3.197 -1.645 -12.640 1.00 0.00 N ATOM 481 CA ARG A 36 -4.646 -1.561 -12.714 1.00 0.00 C ATOM 482 C ARG A 36 -5.156 -0.411 -11.841 1.00 0.00 C ATOM 483 O ARG A 36 -5.679 0.577 -12.353 1.00 0.00 O ATOM 484 CB ARG A 36 -5.298 -2.867 -12.256 1.00 0.00 C ATOM 485 CG ARG A 36 -5.181 -3.945 -13.336 1.00 0.00 C ATOM 486 CD ARG A 36 -6.473 -4.758 -13.441 1.00 0.00 C ATOM 487 NE ARG A 36 -6.159 -6.203 -13.487 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.049 -7.174 -13.237 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.313 -6.860 -12.923 1.00 0.00 N ATOM 490 NH2 ARG A 36 -6.675 -8.459 -13.302 1.00 0.00 N ATOM 0 H ARG A 36 -2.841 -2.214 -11.872 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.915 -1.380 -13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.822 -3.213 -11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.349 -2.692 -12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.961 -3.480 -14.297 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.348 -4.608 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.117 -4.544 -12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.023 -4.468 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.206 -6.478 -13.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.598 -5.882 -12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.990 -7.599 -12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.713 -8.699 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.352 -9.198 -13.112 1.00 0.00 H new ATOM 501 N LEU A 37 -4.985 -0.579 -10.538 1.00 0.00 N ATOM 502 CA LEU A 37 -5.422 0.430 -9.590 1.00 0.00 C ATOM 503 C LEU A 37 -5.021 1.814 -10.105 1.00 0.00 C ATOM 504 O LEU A 37 -5.789 2.768 -9.993 1.00 0.00 O ATOM 505 CB LEU A 37 -4.889 0.118 -8.190 1.00 0.00 C ATOM 506 CG LEU A 37 -5.113 -1.312 -7.691 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.199 -1.352 -6.164 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.344 -1.936 -8.352 1.00 0.00 C ATOM 0 H LEU A 37 -4.549 -1.400 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.508 0.423 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.819 0.323 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.355 0.805 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.252 -1.915 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.358 -2.379 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.270 -0.974 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.030 -0.731 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.481 -2.952 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.226 -1.341 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.203 -1.961 -9.433 1.00 0.00 H new ATOM 519 N LEU A 38 -3.818 1.879 -10.657 1.00 0.00 N ATOM 520 CA LEU A 38 -3.306 3.131 -11.189 1.00 0.00 C ATOM 521 C LEU A 38 -4.263 3.654 -12.262 1.00 0.00 C ATOM 522 O LEU A 38 -4.614 4.833 -12.264 1.00 0.00 O ATOM 523 CB LEU A 38 -1.869 2.954 -11.683 1.00 0.00 C ATOM 524 CG LEU A 38 -0.815 2.699 -10.603 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.506 2.240 -11.222 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.634 3.929 -9.712 1.00 0.00 C ATOM 0 H LEU A 38 -3.183 1.086 -10.747 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.260 3.887 -10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.848 2.122 -12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.584 3.848 -12.237 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.169 1.889 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.237 2.066 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.346 1.316 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.878 3.010 -11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.120 3.721 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.313 4.775 -10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.580 4.169 -9.227 1.00 0.00 H new ATOM 537 N ARG A 39 -4.661 2.751 -13.148 1.00 0.00 N ATOM 538 CA ARG A 39 -5.571 3.107 -14.222 1.00 0.00 C ATOM 539 C ARG A 39 -6.876 3.663 -13.650 1.00 0.00 C ATOM 540 O ARG A 39 -7.340 4.723 -14.067 1.00 0.00 O ATOM 541 CB ARG A 39 -5.883 1.896 -15.103 1.00 0.00 C ATOM 542 CG ARG A 39 -6.352 2.335 -16.492 1.00 0.00 C ATOM 543 CD ARG A 39 -6.134 1.223 -17.520 1.00 0.00 C ATOM 544 NE ARG A 39 -6.445 1.722 -18.878 1.00 0.00 N ATOM 545 CZ ARG A 39 -6.068 1.109 -20.009 1.00 0.00 C ATOM 546 NH1 ARG A 39 -5.363 -0.029 -19.950 1.00 0.00 N ATOM 547 NH2 ARG A 39 -6.394 1.634 -21.197 1.00 0.00 N ATOM 0 H ARG A 39 -4.369 1.774 -13.143 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.084 3.869 -14.830 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.995 1.271 -15.196 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.654 1.287 -14.631 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.409 2.600 -16.456 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.809 3.229 -16.797 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.102 0.875 -17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.768 0.368 -17.284 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.980 2.587 -18.959 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.114 -0.428 -19.045 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.076 -0.496 -20.810 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.930 2.501 -21.242 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.107 1.167 -22.057 1.00 0.00 H new ATOM 558 N GLU A 40 -7.432 2.922 -12.702 1.00 0.00 N ATOM 559 CA GLU A 40 -8.675 3.328 -12.068 1.00 0.00 C ATOM 560 C GLU A 40 -8.407 3.833 -10.649 1.00 0.00 C ATOM 561 O GLU A 40 -8.177 3.042 -9.737 1.00 0.00 O ATOM 562 CB GLU A 40 -9.686 2.180 -12.059 1.00 0.00 C ATOM 563 CG GLU A 40 -9.397 1.185 -13.185 1.00 0.00 C ATOM 564 CD GLU A 40 -9.683 1.808 -14.553 1.00 0.00 C ATOM 565 OE1 GLU A 40 -8.973 2.778 -14.894 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.606 1.300 -15.226 1.00 0.00 O ATOM 0 H GLU A 40 -7.045 2.043 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.106 4.144 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.650 1.667 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.695 2.578 -12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.355 0.868 -13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.009 0.293 -13.053 1.00 0.00 H new ATOM 571 N PRO A 41 -8.446 5.185 -10.503 1.00 0.00 N ATOM 572 CA PRO A 41 -8.210 5.806 -9.211 1.00 0.00 C ATOM 573 C PRO A 41 -9.422 5.638 -8.293 1.00 0.00 C ATOM 574 O PRO A 41 -9.272 5.517 -7.078 1.00 0.00 O ATOM 575 CB PRO A 41 -7.900 7.261 -9.525 1.00 0.00 C ATOM 576 CG PRO A 41 -8.427 7.506 -10.929 1.00 0.00 C ATOM 577 CD PRO A 41 -8.715 6.154 -11.562 1.00 0.00 C ATOM 0 HA PRO A 41 -7.386 5.345 -8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.379 7.926 -8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.828 7.452 -9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.332 8.113 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.695 8.056 -11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.747 6.089 -11.905 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.079 5.979 -12.430 1.00 0.00 H new ATOM 582 N GLY A 42 -10.595 5.635 -8.908 1.00 0.00 N ATOM 583 CA GLY A 42 -11.832 5.483 -8.161 1.00 0.00 C ATOM 584 C GLY A 42 -11.927 4.090 -7.533 1.00 0.00 C ATOM 585 O GLY A 42 -12.405 3.943 -6.411 1.00 0.00 O ATOM 0 H GLY A 42 -10.715 5.735 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.885 6.242 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.683 5.646 -8.823 1.00 0.00 H new ATOM 589 N LEU A 43 -11.461 3.105 -8.286 1.00 0.00 N ATOM 590 CA LEU A 43 -11.487 1.729 -7.819 1.00 0.00 C ATOM 591 C LEU A 43 -10.801 1.647 -6.455 1.00 0.00 C ATOM 592 O LEU A 43 -11.287 0.968 -5.550 1.00 0.00 O ATOM 593 CB LEU A 43 -10.884 0.794 -8.869 1.00 0.00 C ATOM 594 CG LEU A 43 -11.246 -0.686 -8.738 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.719 -0.922 -9.080 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.315 -1.556 -9.583 1.00 0.00 C ATOM 0 H LEU A 43 -11.063 3.232 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.514 1.392 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.197 1.138 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.799 0.887 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.105 -0.981 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.951 -1.982 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.347 -0.347 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.910 -0.605 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.595 -2.604 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.399 -1.268 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.286 -1.418 -9.250 1.00 0.00 H new ATOM 607 N LEU A 44 -9.680 2.346 -6.348 1.00 0.00 N ATOM 608 CA LEU A 44 -8.920 2.359 -5.109 1.00 0.00 C ATOM 609 C LEU A 44 -7.957 3.548 -5.119 1.00 0.00 C ATOM 610 O LEU A 44 -7.055 3.613 -5.953 1.00 0.00 O ATOM 611 CB LEU A 44 -8.232 1.011 -4.887 1.00 0.00 C ATOM 612 CG LEU A 44 -7.064 1.009 -3.900 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.418 1.787 -2.630 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.610 -0.419 -3.591 1.00 0.00 C ATOM 0 H LEU A 44 -9.280 2.908 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.585 2.494 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.978 0.298 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.870 0.648 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.222 1.520 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.570 1.770 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.654 2.819 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.282 1.327 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.778 -0.392 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.438 -0.977 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.290 -0.906 -4.512 1.00 0.00 H new ATOM 625 N ALA A 45 -8.180 4.458 -4.183 1.00 0.00 N ATOM 626 CA ALA A 45 -7.343 5.641 -4.074 1.00 0.00 C ATOM 627 C ALA A 45 -6.473 5.530 -2.821 1.00 0.00 C ATOM 628 O ALA A 45 -6.979 5.267 -1.730 1.00 0.00 O ATOM 629 CB ALA A 45 -8.224 6.891 -4.064 1.00 0.00 C ATOM 0 H ALA A 45 -8.929 4.400 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.676 5.720 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.596 7.778 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.800 6.938 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.905 6.849 -3.214 1.00 0.00 H new ATOM 635 N VAL A 46 -5.178 5.736 -3.017 1.00 0.00 N ATOM 636 CA VAL A 46 -4.234 5.663 -1.916 1.00 0.00 C ATOM 637 C VAL A 46 -4.113 7.040 -1.261 1.00 0.00 C ATOM 638 O VAL A 46 -3.760 8.016 -1.920 1.00 0.00 O ATOM 639 CB VAL A 46 -2.893 5.118 -2.412 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.953 4.824 -1.241 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.094 3.873 -3.279 1.00 0.00 C ATOM 0 H VAL A 46 -4.761 5.953 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.590 4.970 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.428 5.886 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.007 4.438 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.771 5.741 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.410 4.083 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.125 3.506 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.591 3.099 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.709 4.126 -4.143 1.00 0.00 H new ATOM 651 N GLN A 47 -4.413 7.074 0.030 1.00 0.00 N ATOM 652 CA GLN A 47 -4.343 8.315 0.781 1.00 0.00 C ATOM 653 C GLN A 47 -3.354 8.179 1.941 1.00 0.00 C ATOM 654 O GLN A 47 -2.938 7.072 2.280 1.00 0.00 O ATOM 655 CB GLN A 47 -5.727 8.730 1.286 1.00 0.00 C ATOM 656 CG GLN A 47 -6.548 9.375 0.169 1.00 0.00 C ATOM 657 CD GLN A 47 -5.932 10.707 -0.266 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.122 10.778 -1.175 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.360 11.754 0.433 1.00 0.00 N ATOM 0 H GLN A 47 -4.705 6.262 0.574 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.985 9.100 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.254 7.857 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.621 9.430 2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.601 8.699 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.570 9.538 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.040 11.624 1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.008 12.687 0.220 1.00 0.00 H new ATOM 666 N GLY A 48 -3.006 9.319 2.518 1.00 0.00 N ATOM 667 CA GLY A 48 -2.074 9.341 3.633 1.00 0.00 C ATOM 668 C GLY A 48 -0.684 8.878 3.194 1.00 0.00 C ATOM 669 O GLY A 48 0.058 8.295 3.982 1.00 0.00 O ATOM 0 H GLY A 48 -3.353 10.235 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.013 10.350 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.441 8.696 4.431 1.00 0.00 H new ATOM 673 N LEU A 49 -0.372 9.156 1.935 1.00 0.00 N ATOM 674 CA LEU A 49 0.916 8.775 1.383 1.00 0.00 C ATOM 675 C LEU A 49 1.999 9.703 1.938 1.00 0.00 C ATOM 676 O LEU A 49 1.693 10.746 2.513 1.00 0.00 O ATOM 677 CB LEU A 49 0.856 8.748 -0.146 1.00 0.00 C ATOM 678 CG LEU A 49 0.469 7.409 -0.778 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.145 7.614 -2.165 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.664 6.454 -0.815 1.00 0.00 C ATOM 0 H LEU A 49 -0.989 9.640 1.283 1.00 0.00 H new ATOM 0 HA LEU A 49 1.176 7.761 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.142 9.503 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.832 9.042 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.294 6.945 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.411 6.647 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.039 8.231 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.578 8.110 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.362 5.510 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.467 6.899 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.016 6.272 0.200 1.00 0.00 H new ATOM 691 N PRO A 50 3.276 9.277 1.741 1.00 0.00 N ATOM 692 CA PRO A 50 4.407 10.057 2.217 1.00 0.00 C ATOM 693 C PRO A 50 4.640 11.280 1.328 1.00 0.00 C ATOM 694 O PRO A 50 5.217 11.166 0.247 1.00 0.00 O ATOM 695 CB PRO A 50 5.579 9.091 2.218 1.00 0.00 C ATOM 696 CG PRO A 50 5.173 7.941 1.309 1.00 0.00 C ATOM 697 CD PRO A 50 3.676 8.047 1.065 1.00 0.00 C ATOM 0 HA PRO A 50 4.246 10.467 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.485 9.576 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.791 8.736 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.718 7.989 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.418 6.984 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.451 8.090 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.147 7.184 1.468 1.00 0.00 H new ATOM 702 N GLU A 51 4.181 12.423 1.815 1.00 0.00 N ATOM 703 CA GLU A 51 4.334 13.666 1.079 1.00 0.00 C ATOM 704 C GLU A 51 5.618 13.638 0.248 1.00 0.00 C ATOM 705 O GLU A 51 6.617 13.052 0.665 1.00 0.00 O ATOM 706 CB GLU A 51 4.318 14.869 2.024 1.00 0.00 C ATOM 707 CG GLU A 51 5.590 14.916 2.872 1.00 0.00 C ATOM 708 CD GLU A 51 5.346 15.665 4.185 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.623 15.103 5.033 1.00 0.00 O ATOM 710 OE2 GLU A 51 5.890 16.784 4.308 1.00 0.00 O ATOM 0 H GLU A 51 3.703 12.514 2.711 1.00 0.00 H new ATOM 0 HA GLU A 51 3.488 13.768 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.228 15.789 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.445 14.814 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.927 13.902 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.387 15.406 2.312 1.00 0.00 H new ATOM 715 N GLY A 52 5.551 14.276 -0.910 1.00 0.00 N ATOM 716 CA GLY A 52 6.697 14.331 -1.802 1.00 0.00 C ATOM 717 C GLY A 52 6.944 12.972 -2.461 1.00 0.00 C ATOM 718 O GLY A 52 8.083 12.515 -2.541 1.00 0.00 O ATOM 0 H GLY A 52 4.721 14.760 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.529 15.086 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.583 14.635 -1.244 1.00 0.00 H new ATOM 722 N LEU A 53 5.858 12.365 -2.917 1.00 0.00 N ATOM 723 CA LEU A 53 5.944 11.068 -3.567 1.00 0.00 C ATOM 724 C LEU A 53 4.733 10.882 -4.484 1.00 0.00 C ATOM 725 O LEU A 53 3.984 11.827 -4.730 1.00 0.00 O ATOM 726 CB LEU A 53 6.103 9.958 -2.527 1.00 0.00 C ATOM 727 CG LEU A 53 7.540 9.543 -2.203 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.584 8.628 -0.978 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.213 8.904 -3.420 1.00 0.00 C ATOM 0 H LEU A 53 4.915 12.747 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 53 6.833 11.014 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.622 10.281 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.562 9.079 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 53 8.107 10.440 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.617 8.348 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.170 9.153 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.997 7.730 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.233 8.618 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.653 8.019 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.233 9.619 -4.242 1.00 0.00 H new ATOM 740 N ALA A 54 4.579 9.658 -4.966 1.00 0.00 N ATOM 741 CA ALA A 54 3.473 9.336 -5.852 1.00 0.00 C ATOM 742 C ALA A 54 3.152 7.844 -5.739 1.00 0.00 C ATOM 743 O ALA A 54 4.057 7.012 -5.709 1.00 0.00 O ATOM 744 CB ALA A 54 3.826 9.750 -7.282 1.00 0.00 C ATOM 0 H ALA A 54 5.202 8.877 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 54 2.578 9.888 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.996 9.508 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.016 10.823 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.718 9.214 -7.606 1.00 0.00 H new ATOM 750 N PHE A 55 1.862 7.552 -5.679 1.00 0.00 N ATOM 751 CA PHE A 55 1.411 6.175 -5.569 1.00 0.00 C ATOM 752 C PHE A 55 1.875 5.349 -6.771 1.00 0.00 C ATOM 753 O PHE A 55 1.412 5.561 -7.890 1.00 0.00 O ATOM 754 CB PHE A 55 -0.119 6.206 -5.547 1.00 0.00 C ATOM 755 CG PHE A 55 -0.772 4.837 -5.749 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.363 3.772 -5.007 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.762 4.684 -6.669 1.00 0.00 C ATOM 758 CE1 PHE A 55 -0.969 2.503 -5.193 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.368 3.414 -6.855 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.958 2.350 -6.114 1.00 0.00 C ATOM 0 H PHE A 55 1.114 8.245 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 55 1.822 5.719 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.450 6.618 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.470 6.883 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.423 3.893 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.087 5.529 -7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.645 1.658 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.155 3.293 -7.585 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.418 1.383 -6.257 1.00 0.00 H new ATOM 769 N ARG A 56 2.783 4.424 -6.497 1.00 0.00 N ATOM 770 CA ARG A 56 3.315 3.566 -7.541 1.00 0.00 C ATOM 771 C ARG A 56 4.028 2.360 -6.926 1.00 0.00 C ATOM 772 O ARG A 56 4.179 2.279 -5.707 1.00 0.00 O ATOM 773 CB ARG A 56 4.297 4.328 -8.435 1.00 0.00 C ATOM 774 CG ARG A 56 4.987 5.450 -7.658 1.00 0.00 C ATOM 775 CD ARG A 56 6.421 5.655 -8.149 1.00 0.00 C ATOM 776 NE ARG A 56 6.413 6.290 -9.486 1.00 0.00 N ATOM 777 CZ ARG A 56 7.506 6.481 -10.236 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.705 6.084 -9.784 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.404 7.066 -11.436 1.00 0.00 N ATOM 0 H ARG A 56 3.164 4.250 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 56 2.476 3.226 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.045 3.640 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.767 4.746 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.424 6.376 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.994 5.210 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.970 6.280 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.939 4.697 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 56 5.517 6.602 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.783 5.637 -8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.538 6.229 -10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.492 7.367 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.238 7.210 -12.005 1.00 0.00 H new ATOM 790 N ARG A 57 4.446 1.452 -7.795 1.00 0.00 N ATOM 791 CA ARG A 57 5.139 0.255 -7.352 1.00 0.00 C ATOM 792 C ARG A 57 6.230 0.616 -6.341 1.00 0.00 C ATOM 793 O ARG A 57 6.845 1.677 -6.438 1.00 0.00 O ATOM 794 CB ARG A 57 5.772 -0.484 -8.532 1.00 0.00 C ATOM 795 CG ARG A 57 4.852 -1.596 -9.041 1.00 0.00 C ATOM 796 CD ARG A 57 4.753 -2.735 -8.023 1.00 0.00 C ATOM 797 NE ARG A 57 3.913 -3.826 -8.564 1.00 0.00 N ATOM 798 CZ ARG A 57 3.518 -4.892 -7.854 1.00 0.00 C ATOM 799 NH1 ARG A 57 3.886 -5.017 -6.572 1.00 0.00 N ATOM 800 NH2 ARG A 57 2.756 -5.833 -8.427 1.00 0.00 N ATOM 0 H ARG A 57 4.318 1.521 -8.805 1.00 0.00 H new ATOM 0 HA ARG A 57 4.404 -0.398 -6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.978 0.220 -9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.729 -0.909 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.859 -1.191 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.231 -1.981 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.748 -3.113 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.326 -2.365 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 57 3.616 -3.763 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.467 -4.301 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.585 -5.828 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.477 -5.738 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.455 -6.644 -7.887 1.00 0.00 H new ATOM 811 N PRO A 58 6.442 -0.312 -5.369 1.00 0.00 N ATOM 812 CA PRO A 58 7.448 -0.101 -4.342 1.00 0.00 C ATOM 813 C PRO A 58 8.857 -0.314 -4.901 1.00 0.00 C ATOM 814 O PRO A 58 9.844 0.037 -4.257 1.00 0.00 O ATOM 815 CB PRO A 58 7.093 -1.084 -3.237 1.00 0.00 C ATOM 816 CG PRO A 58 6.188 -2.123 -3.879 1.00 0.00 C ATOM 817 CD PRO A 58 5.733 -1.580 -5.223 1.00 0.00 C ATOM 0 HA PRO A 58 7.454 0.921 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.989 -1.548 -2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.587 -0.580 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.721 -3.065 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.329 -2.328 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.980 -2.267 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.653 -1.435 -5.247 1.00 0.00 H new ATOM 822 N ALA A 59 8.904 -0.890 -6.094 1.00 0.00 N ATOM 823 CA ALA A 59 10.174 -1.154 -6.747 1.00 0.00 C ATOM 824 C ALA A 59 10.560 0.050 -7.609 1.00 0.00 C ATOM 825 O ALA A 59 11.696 0.150 -8.070 1.00 0.00 O ATOM 826 CB ALA A 59 10.071 -2.445 -7.562 1.00 0.00 C ATOM 0 H ALA A 59 8.083 -1.181 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 59 10.962 -1.297 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.024 -2.643 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.824 -3.275 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.291 -2.338 -8.316 1.00 0.00 H new ATOM 832 N GLU A 60 9.592 0.934 -7.801 1.00 0.00 N ATOM 833 CA GLU A 60 9.816 2.128 -8.598 1.00 0.00 C ATOM 834 C GLU A 60 10.128 3.321 -7.694 1.00 0.00 C ATOM 835 O GLU A 60 10.585 4.361 -8.166 1.00 0.00 O ATOM 836 CB GLU A 60 8.613 2.421 -9.496 1.00 0.00 C ATOM 837 CG GLU A 60 8.361 1.268 -10.470 1.00 0.00 C ATOM 838 CD GLU A 60 7.520 1.730 -11.662 1.00 0.00 C ATOM 839 OE1 GLU A 60 6.282 1.772 -11.501 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.136 2.032 -12.708 1.00 0.00 O ATOM 0 H GLU A 60 8.651 0.847 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 60 10.677 1.953 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.727 2.583 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.787 3.341 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.313 0.872 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.850 0.456 -9.953 1.00 0.00 H new ATOM 845 N TYR A 61 9.870 3.131 -6.407 1.00 0.00 N ATOM 846 CA TYR A 61 10.118 4.178 -5.432 1.00 0.00 C ATOM 847 C TYR A 61 11.616 4.321 -5.149 1.00 0.00 C ATOM 848 O TYR A 61 12.409 3.466 -5.539 1.00 0.00 O ATOM 849 CB TYR A 61 9.408 3.737 -4.150 1.00 0.00 C ATOM 850 CG TYR A 61 8.028 4.368 -3.955 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.816 5.687 -4.304 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.995 3.619 -3.430 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.517 6.280 -4.120 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.696 4.211 -3.247 1.00 0.00 C ATOM 855 CZ TYR A 61 5.521 5.513 -3.601 1.00 0.00 C ATOM 856 OH TYR A 61 4.294 6.073 -3.426 1.00 0.00 O ATOM 0 H TYR A 61 9.492 2.267 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 61 9.758 5.139 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.302 2.652 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.035 3.988 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.624 6.274 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.161 2.588 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.338 7.311 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.879 3.635 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 61 3.807 6.066 -4.276 1.00 0.00 H new ATOM 865 N ASP A 62 11.956 5.407 -4.471 1.00 0.00 N ATOM 866 CA ASP A 62 13.343 5.673 -4.131 1.00 0.00 C ATOM 867 C ASP A 62 13.692 4.950 -2.828 1.00 0.00 C ATOM 868 O ASP A 62 12.857 4.245 -2.262 1.00 0.00 O ATOM 869 CB ASP A 62 13.582 7.169 -3.919 1.00 0.00 C ATOM 870 CG ASP A 62 12.441 8.077 -4.381 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.916 7.812 -5.483 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.122 9.017 -3.622 1.00 0.00 O ATOM 0 H ASP A 62 11.295 6.113 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 62 13.965 5.322 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.761 7.346 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.491 7.455 -4.448 1.00 0.00 H new ATOM 876 N PRO A 63 14.960 5.152 -2.379 1.00 0.00 N ATOM 877 CA PRO A 63 15.429 4.528 -1.154 1.00 0.00 C ATOM 878 C PRO A 63 14.844 5.225 0.076 1.00 0.00 C ATOM 879 O PRO A 63 14.265 4.576 0.946 1.00 0.00 O ATOM 880 CB PRO A 63 16.945 4.618 -1.222 1.00 0.00 C ATOM 881 CG PRO A 63 17.253 5.694 -2.250 1.00 0.00 C ATOM 882 CD PRO A 63 15.975 5.980 -3.023 1.00 0.00 C ATOM 0 HA PRO A 63 15.108 3.490 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.365 4.875 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.380 3.662 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.613 6.598 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.042 5.362 -2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.712 7.037 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 63 16.084 5.725 -4.077 1.00 0.00 H new ATOM 887 N LYS A 64 15.016 6.539 0.109 1.00 0.00 N ATOM 888 CA LYS A 64 14.513 7.331 1.219 1.00 0.00 C ATOM 889 C LYS A 64 12.983 7.281 1.224 1.00 0.00 C ATOM 890 O LYS A 64 12.356 7.465 2.265 1.00 0.00 O ATOM 891 CB LYS A 64 15.080 8.751 1.164 1.00 0.00 C ATOM 892 CG LYS A 64 16.498 8.797 1.735 1.00 0.00 C ATOM 893 CD LYS A 64 17.535 8.933 0.618 1.00 0.00 C ATOM 894 CE LYS A 64 18.957 8.819 1.171 1.00 0.00 C ATOM 895 NZ LYS A 64 19.666 7.680 0.548 1.00 0.00 N ATOM 0 H LYS A 64 15.496 7.074 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 64 14.850 6.913 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.088 9.104 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.435 9.426 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.589 9.636 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.693 7.891 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.370 8.160 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.412 9.894 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.503 9.743 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.923 8.686 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.629 7.617 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.153 6.798 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.715 7.822 -0.481 1.00 0.00 H new ATOM 905 N ALA A 65 12.427 7.028 0.047 1.00 0.00 N ATOM 906 CA ALA A 65 10.984 6.951 -0.098 1.00 0.00 C ATOM 907 C ALA A 65 10.452 5.791 0.748 1.00 0.00 C ATOM 908 O ALA A 65 9.662 6.000 1.668 1.00 0.00 O ATOM 909 CB ALA A 65 10.626 6.805 -1.578 1.00 0.00 C ATOM 0 H ALA A 65 12.951 6.874 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 65 10.513 7.866 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.543 6.747 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.000 7.667 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.079 5.896 -1.974 1.00 0.00 H new ATOM 915 N LEU A 66 10.909 4.595 0.406 1.00 0.00 N ATOM 916 CA LEU A 66 10.489 3.402 1.122 1.00 0.00 C ATOM 917 C LEU A 66 10.546 3.669 2.628 1.00 0.00 C ATOM 918 O LEU A 66 9.622 3.319 3.360 1.00 0.00 O ATOM 919 CB LEU A 66 11.317 2.193 0.681 1.00 0.00 C ATOM 920 CG LEU A 66 11.289 1.872 -0.815 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.327 0.804 -1.165 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.882 1.473 -1.263 1.00 0.00 C ATOM 0 H LEU A 66 11.565 4.427 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 66 9.455 3.157 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.353 2.359 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.965 1.318 1.227 1.00 0.00 H new ATOM 0 HG LEU A 66 11.558 2.774 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.287 0.594 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.322 1.164 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.113 -0.108 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.889 1.250 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.561 0.590 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.192 2.294 -1.069 1.00 0.00 H new ATOM 933 N MET A 67 11.640 4.288 3.046 1.00 0.00 N ATOM 934 CA MET A 67 11.830 4.608 4.451 1.00 0.00 C ATOM 935 C MET A 67 10.802 5.638 4.923 1.00 0.00 C ATOM 936 O MET A 67 10.410 5.640 6.089 1.00 0.00 O ATOM 937 CB MET A 67 13.241 5.159 4.664 1.00 0.00 C ATOM 938 CG MET A 67 14.237 4.028 4.931 1.00 0.00 C ATOM 939 SD MET A 67 15.905 4.661 4.883 1.00 0.00 S ATOM 940 CE MET A 67 16.254 4.483 3.141 1.00 0.00 C ATOM 0 H MET A 67 12.405 4.577 2.436 1.00 0.00 H new ATOM 0 HA MET A 67 11.696 3.696 5.033 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.552 5.722 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.241 5.854 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.038 3.579 5.904 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.116 3.242 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.040 3.740 3.001 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.353 4.160 2.620 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.583 5.440 2.736 1.00 0.00 H new ATOM 948 N ALA A 68 10.396 6.490 3.992 1.00 0.00 N ATOM 949 CA ALA A 68 9.421 7.523 4.298 1.00 0.00 C ATOM 950 C ALA A 68 8.016 6.923 4.251 1.00 0.00 C ATOM 951 O ALA A 68 7.078 7.483 4.817 1.00 0.00 O ATOM 952 CB ALA A 68 9.590 8.690 3.323 1.00 0.00 C ATOM 0 H ALA A 68 10.724 6.486 3.026 1.00 0.00 H new ATOM 0 HA ALA A 68 9.579 7.913 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.859 9.465 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.595 9.101 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.437 8.337 2.303 1.00 0.00 H new ATOM 958 N ILE A 69 7.913 5.790 3.571 1.00 0.00 N ATOM 959 CA ILE A 69 6.637 5.108 3.442 1.00 0.00 C ATOM 960 C ILE A 69 6.364 4.302 4.714 1.00 0.00 C ATOM 961 O ILE A 69 5.243 4.296 5.220 1.00 0.00 O ATOM 962 CB ILE A 69 6.605 4.268 2.163 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.759 5.151 0.924 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.339 3.411 2.102 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.520 4.416 -0.182 1.00 0.00 C ATOM 0 H ILE A 69 8.693 5.328 3.104 1.00 0.00 H new ATOM 0 HA ILE A 69 5.827 5.831 3.341 1.00 0.00 H new ATOM 0 HB ILE A 69 7.455 3.586 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.775 5.446 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.289 6.066 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.341 2.824 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.312 2.741 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.461 4.057 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.616 5.066 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.512 4.143 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.975 3.514 -0.461 1.00 0.00 H new ATOM 976 N LEU A 70 7.407 3.642 5.193 1.00 0.00 N ATOM 977 CA LEU A 70 7.295 2.834 6.396 1.00 0.00 C ATOM 978 C LEU A 70 7.136 3.753 7.608 1.00 0.00 C ATOM 979 O LEU A 70 6.578 3.351 8.628 1.00 0.00 O ATOM 980 CB LEU A 70 8.475 1.868 6.505 1.00 0.00 C ATOM 981 CG LEU A 70 8.816 1.078 5.240 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.318 0.797 5.157 1.00 0.00 C ATOM 983 CD2 LEU A 70 7.988 -0.204 5.153 1.00 0.00 C ATOM 0 H LEU A 70 8.335 3.650 4.770 1.00 0.00 H new ATOM 0 HA LEU A 70 6.405 2.207 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.357 2.435 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.266 1.159 7.306 1.00 0.00 H new ATOM 0 HG LEU A 70 8.554 1.689 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.533 0.234 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.864 1.740 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.628 0.216 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.251 -0.746 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.194 -0.830 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.928 0.048 5.131 1.00 0.00 H new ATOM 994 N GLU A 71 7.639 4.970 7.458 1.00 0.00 N ATOM 995 CA GLU A 71 7.561 5.949 8.528 1.00 0.00 C ATOM 996 C GLU A 71 6.243 6.722 8.446 1.00 0.00 C ATOM 997 O GLU A 71 5.696 7.135 9.468 1.00 0.00 O ATOM 998 CB GLU A 71 8.757 6.902 8.489 1.00 0.00 C ATOM 999 CG GLU A 71 9.961 6.301 9.218 1.00 0.00 C ATOM 1000 CD GLU A 71 10.946 7.392 9.642 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.559 8.197 10.516 1.00 0.00 O ATOM 1002 OE2 GLU A 71 12.064 7.396 9.082 1.00 0.00 O ATOM 0 H GLU A 71 8.102 5.300 6.611 1.00 0.00 H new ATOM 0 HA GLU A 71 7.591 5.419 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.023 7.115 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.485 7.852 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.622 5.751 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.464 5.585 8.568 1.00 0.00 H new ATOM 1007 N HIS A 72 5.770 6.893 7.220 1.00 0.00 N ATOM 1008 CA HIS A 72 4.526 7.608 6.991 1.00 0.00 C ATOM 1009 C HIS A 72 3.364 6.614 6.944 1.00 0.00 C ATOM 1010 O HIS A 72 2.200 7.013 6.963 1.00 0.00 O ATOM 1011 CB HIS A 72 4.619 8.471 5.732 1.00 0.00 C ATOM 1012 CG HIS A 72 5.628 9.591 5.828 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.340 10.894 5.460 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.924 9.588 6.255 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.422 11.633 5.660 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.402 10.822 6.151 1.00 0.00 N ATOM 0 H HIS A 72 6.226 6.549 6.375 1.00 0.00 H new ATOM 0 HA HIS A 72 4.339 8.293 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.878 7.834 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.638 8.897 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.468 8.728 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.512 12.692 5.468 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.347 11.115 6.398 1.00 0.00 H new ATOM 1023 N SER A 73 3.719 5.340 6.884 1.00 0.00 N ATOM 1024 CA SER A 73 2.720 4.286 6.833 1.00 0.00 C ATOM 1025 C SER A 73 1.659 4.519 7.910 1.00 0.00 C ATOM 1026 O SER A 73 0.504 4.129 7.743 1.00 0.00 O ATOM 1027 CB SER A 73 3.362 2.908 7.011 1.00 0.00 C ATOM 1028 OG SER A 73 3.216 2.419 8.342 1.00 0.00 O ATOM 0 H SER A 73 4.685 5.013 6.870 1.00 0.00 H new ATOM 0 HA SER A 73 2.246 4.312 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.908 2.204 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.421 2.966 6.760 1.00 0.00 H new ATOM 0 HG SER A 73 3.637 1.537 8.415 1.00 0.00 H new ATOM 1033 N HIS A 74 2.087 5.154 8.991 1.00 0.00 N ATOM 1034 CA HIS A 74 1.189 5.444 10.095 1.00 0.00 C ATOM 1035 C HIS A 74 0.003 6.268 9.589 1.00 0.00 C ATOM 1036 O HIS A 74 -1.028 6.353 10.255 1.00 0.00 O ATOM 1037 CB HIS A 74 1.938 6.124 11.242 1.00 0.00 C ATOM 1038 CG HIS A 74 2.253 7.581 10.991 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.316 7.993 10.206 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.634 8.714 11.428 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.326 9.317 10.180 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.283 9.762 10.938 1.00 0.00 N ATOM 0 H HIS A 74 3.045 5.476 9.126 1.00 0.00 H new ATOM 0 HA HIS A 74 0.793 4.513 10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.341 6.043 12.151 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.869 5.587 11.423 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.978 7.381 9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.763 8.752 12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.036 9.936 9.651 1.00 0.00 H new ATOM 1049 N ARG A 75 0.190 6.855 8.416 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.851 7.669 7.813 1.00 0.00 C ATOM 1051 C ARG A 75 -1.430 6.966 6.584 1.00 0.00 C ATOM 1052 O ARG A 75 -2.634 7.030 6.337 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.308 9.039 7.400 1.00 0.00 C ATOM 1054 CG ARG A 75 0.787 9.508 8.360 1.00 0.00 C ATOM 1055 CD ARG A 75 0.845 11.036 8.422 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.460 11.575 8.864 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.692 12.871 9.113 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.293 13.768 8.965 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.907 13.269 9.511 1.00 0.00 N ATOM 0 H ARG A 75 1.047 6.783 7.867 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.635 7.810 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.090 8.986 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.120 9.766 7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.599 9.107 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.751 9.117 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.629 11.351 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.101 11.438 7.442 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.231 10.919 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.219 13.464 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.117 14.755 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.656 12.586 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.084 14.256 9.701 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.546 6.312 5.844 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.954 5.598 4.647 1.00 0.00 C ATOM 1072 C ILE A 76 -2.263 4.854 4.922 1.00 0.00 C ATOM 1073 O ILE A 76 -2.334 4.031 5.834 1.00 0.00 O ATOM 1074 CB ILE A 76 0.175 4.691 4.152 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.421 5.508 3.803 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.291 3.826 2.980 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.485 4.629 3.143 1.00 0.00 C ATOM 0 H ILE A 76 0.452 6.262 6.051 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.149 6.299 3.835 1.00 0.00 H new ATOM 0 HB ILE A 76 0.450 4.015 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.150 6.323 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.828 5.961 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.530 3.191 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.126 3.202 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.609 4.468 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.360 5.234 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.771 3.829 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.083 4.197 2.227 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.268 5.173 4.119 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.570 4.545 4.265 1.00 0.00 C ATOM 1090 C ARG A 77 -5.219 4.342 2.894 1.00 0.00 C ATOM 1091 O ARG A 77 -5.318 5.281 2.105 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.496 5.395 5.138 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.217 5.160 6.624 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.287 4.261 7.247 1.00 0.00 C ATOM 1095 NE ARG A 77 -6.723 4.819 8.546 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.548 5.867 8.674 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -8.031 6.477 7.584 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -7.890 6.305 9.894 1.00 0.00 N ATOM 0 H ARG A 77 -3.207 5.858 3.366 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.420 3.579 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.358 6.450 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.535 5.152 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.236 4.701 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.189 6.115 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.140 4.176 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.891 3.255 7.388 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.374 4.378 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.771 6.144 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.659 7.275 7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.522 5.841 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.518 7.103 9.992 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.642 3.110 2.652 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.277 2.772 1.390 1.00 0.00 C ATOM 1111 C PHE A 78 -7.757 3.156 1.401 1.00 0.00 C ATOM 1112 O PHE A 78 -8.390 3.176 2.456 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.158 1.255 1.221 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.781 0.788 0.746 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.663 1.174 1.416 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.676 -0.014 -0.347 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.385 0.740 0.975 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.397 -0.448 -0.789 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.279 -0.062 -0.118 1.00 0.00 C ATOM 0 H PHE A 78 -5.557 2.334 3.308 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.795 3.312 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.385 0.775 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.910 0.919 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.747 1.811 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.564 -0.321 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.497 1.047 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.313 -1.084 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.307 -0.392 -0.453 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.267 3.455 0.215 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.662 3.839 0.074 1.00 0.00 C ATOM 1130 C LYS A 79 -10.276 3.089 -1.110 1.00 0.00 C ATOM 1131 O LYS A 79 -9.865 3.283 -2.252 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.791 5.360 -0.028 1.00 0.00 C ATOM 1133 CG LYS A 79 -9.935 5.992 1.359 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.409 6.117 1.752 1.00 0.00 C ATOM 1135 CE LYS A 79 -11.998 7.439 1.257 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.476 7.403 1.317 1.00 0.00 N ATOM 0 H LYS A 79 -7.739 3.439 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.227 3.553 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.914 5.770 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.656 5.615 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.408 5.386 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.468 6.977 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.973 5.284 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.507 6.054 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.623 8.262 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.674 7.627 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.859 8.308 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.829 6.631 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.780 7.245 2.299 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.250 2.248 -0.795 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.925 1.468 -1.818 1.00 0.00 C ATOM 1148 C LEU A 80 -13.162 2.229 -2.300 1.00 0.00 C ATOM 1149 O LEU A 80 -13.756 2.998 -1.545 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.231 0.060 -1.304 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.066 -0.932 -1.332 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.485 -2.285 -0.752 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.494 -1.066 -2.744 1.00 0.00 C ATOM 0 H LEU A 80 -11.588 2.090 0.154 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.276 1.332 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.590 0.139 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.048 -0.352 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.269 -0.542 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.639 -2.972 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.808 -2.154 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.307 -2.694 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.668 -1.777 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.272 -1.422 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.134 -0.095 -3.084 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.513 1.988 -3.555 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.670 2.641 -4.146 1.00 0.00 C ATOM 1166 C LYS A 81 -15.874 2.477 -3.217 1.00 0.00 C ATOM 1167 O LYS A 81 -15.792 1.780 -2.207 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.911 2.120 -5.565 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.629 0.770 -5.538 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.820 -0.295 -6.280 1.00 0.00 C ATOM 1171 CE LYS A 81 -15.180 -1.699 -5.790 1.00 0.00 C ATOM 1172 NZ LYS A 81 -16.339 -2.230 -6.544 1.00 0.00 N ATOM 0 H LYS A 81 -13.018 1.351 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.492 3.711 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.506 2.841 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.959 2.019 -6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.787 0.458 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.614 0.868 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.010 -0.220 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.755 -0.116 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.324 -2.363 -5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.413 -1.671 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.570 -3.183 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.158 -1.604 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.103 -2.276 -7.556 1.00 0.00 H new