USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 178:sc= -0.251 (180deg=-0.263) USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.341) USER MOD Single : A 3 SER OG : rot 180:sc= -0.45 USER MOD Single : A 4 THR OG1 : rot 140:sc= -0.503 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.0295 (180deg=-0.194) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.04 F(o=-1.4,f=-0.04) USER MOD Single : A 17 SER OG : rot 65:sc= 0.029 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -3.16! (180deg=-3.43!) USER MOD Single : A 24 GLN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -5.98 K(o=-6,f=-6.9!) USER MOD Single : A 30 THR OG1 : rot -2:sc= 0.954 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00476 K(o=-0.0048,f=-1.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 20:sc= 0.15 USER MOD Single : A 58 GLN :FLIP amide:sc=-0.00332 F(o=-0.71,f=-0.0033) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.447 (180deg=-0.59) USER MOD Single : A 64 ASN : amide:sc= -6.74! C(o=-6.7!,f=-12!) USER MOD Single : A 65 THR OG1 : rot 158:sc= -0.0145 USER MOD Single : A 67 GLN : amide:sc= 0.295 X(o=0.29,f=-0.015) USER MOD Single : A 72 TYR OH : rot 61:sc= 0.0396 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.251 F(o=-0.68,f=0.25) USER MOD Single : A 77 ASN : amide:sc= -1.7 K(o=-1.7,f=-3) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.23) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0163 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.384 9.554 -2.242 1.00 0.00 N ATOM 2 CA LEU A 1 -3.072 8.279 -2.880 1.00 0.00 C ATOM 3 C LEU A 1 -1.586 7.959 -2.760 1.00 0.00 C ATOM 4 O LEU A 1 -0.851 7.991 -3.747 1.00 0.00 O ATOM 5 CB LEU A 1 -3.481 8.310 -4.354 1.00 0.00 C ATOM 6 CG LEU A 1 -3.642 6.951 -5.034 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.108 6.551 -5.089 1.00 0.00 C ATOM 8 CD2 LEU A 1 -3.043 6.981 -6.433 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.395 9.766 -2.366 1.00 0.00 H new ATOM 0 H2 LEU A 1 -3.164 9.497 -1.227 1.00 0.00 H new ATOM 0 H3 LEU A 1 -2.816 10.308 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 1 -3.635 7.498 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.424 8.850 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -2.736 8.884 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.106 6.206 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -5.202 5.581 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.506 6.488 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.668 7.297 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.166 6.005 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -3.551 7.738 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.982 7.221 -6.369 1.00 0.00 H new ATOM 20 N LYS A 2 -1.150 7.647 -1.544 1.00 0.00 N ATOM 21 CA LYS A 2 0.248 7.317 -1.294 1.00 0.00 C ATOM 22 C LYS A 2 0.388 5.882 -0.796 1.00 0.00 C ATOM 23 O LYS A 2 0.826 4.999 -1.534 1.00 0.00 O ATOM 24 CB LYS A 2 0.846 8.283 -0.269 1.00 0.00 C ATOM 25 CG LYS A 2 0.846 9.732 -0.726 1.00 0.00 C ATOM 26 CD LYS A 2 -0.471 10.418 -0.404 1.00 0.00 C ATOM 27 CE LYS A 2 -0.270 11.894 -0.096 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.359 12.733 -0.668 1.00 0.00 N ATOM 0 H LYS A 2 -1.745 7.616 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 2 0.791 7.412 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.285 8.205 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.870 7.980 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.664 10.267 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.027 9.776 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.154 10.311 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.939 9.928 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.230 12.038 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.689 12.221 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.366 13.661 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.199 12.862 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.275 12.263 -0.518 1.00 0.00 H new ATOM 42 N SER A 3 0.011 5.656 0.458 1.00 0.00 N ATOM 43 CA SER A 3 0.096 4.328 1.055 1.00 0.00 C ATOM 44 C SER A 3 -0.994 4.133 2.105 1.00 0.00 C ATOM 45 O SER A 3 -1.713 3.133 2.094 1.00 0.00 O ATOM 46 CB SER A 3 1.473 4.117 1.687 1.00 0.00 C ATOM 47 OG SER A 3 2.470 4.845 0.992 1.00 0.00 O ATOM 0 H SER A 3 -0.356 6.375 1.081 1.00 0.00 H new ATOM 0 HA SER A 3 -0.050 3.592 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.450 4.431 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.721 3.056 1.679 1.00 0.00 H new ATOM 0 HG SER A 3 3.340 4.695 1.416 1.00 0.00 H new ATOM 53 N THR A 4 -1.110 5.096 3.014 1.00 0.00 N ATOM 54 CA THR A 4 -2.109 5.032 4.072 1.00 0.00 C ATOM 55 C THR A 4 -3.501 4.784 3.501 1.00 0.00 C ATOM 56 O THR A 4 -4.299 4.049 4.081 1.00 0.00 O ATOM 57 CB THR A 4 -2.132 6.329 4.904 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.127 6.236 5.929 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.417 7.533 4.019 1.00 0.00 C ATOM 0 H THR A 4 -0.523 5.930 3.038 1.00 0.00 H new ATOM 0 HA THR A 4 -1.830 4.199 4.718 1.00 0.00 H new ATOM 0 HB THR A 4 -1.152 6.459 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.783 6.634 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.429 8.437 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.641 7.617 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.386 7.408 3.536 1.00 0.00 H new ATOM 67 N PHE A 5 -3.785 5.402 2.359 1.00 0.00 N ATOM 68 CA PHE A 5 -5.081 5.249 1.708 1.00 0.00 C ATOM 69 C PHE A 5 -5.480 3.778 1.632 1.00 0.00 C ATOM 70 O PHE A 5 -6.661 3.439 1.714 1.00 0.00 O ATOM 71 CB PHE A 5 -5.044 5.853 0.303 1.00 0.00 C ATOM 72 CG PHE A 5 -6.267 6.658 -0.035 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.519 6.257 0.401 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.163 7.815 -0.790 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.646 6.995 0.092 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.286 8.558 -1.102 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.529 8.147 -0.661 1.00 0.00 C ATOM 0 H PHE A 5 -3.135 6.014 1.865 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.824 5.779 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.163 6.489 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.934 5.050 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.616 5.357 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.194 8.140 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.616 6.672 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.192 9.459 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.408 8.726 -0.905 1.00 0.00 H new ATOM 87 N ASP A 6 -4.488 2.909 1.473 1.00 0.00 N ATOM 88 CA ASP A 6 -4.734 1.475 1.386 1.00 0.00 C ATOM 89 C ASP A 6 -5.468 0.973 2.625 1.00 0.00 C ATOM 90 O ASP A 6 -6.631 0.577 2.553 1.00 0.00 O ATOM 91 CB ASP A 6 -3.415 0.719 1.217 1.00 0.00 C ATOM 92 CG ASP A 6 -3.619 -0.777 1.079 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.410 -1.189 0.205 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.988 -1.536 1.845 1.00 0.00 O ATOM 0 H ASP A 6 -3.505 3.173 1.402 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.363 1.291 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.895 1.095 0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.773 0.918 2.075 1.00 0.00 H new ATOM 99 N ASP A 7 -4.780 0.992 3.762 1.00 0.00 N ATOM 100 CA ASP A 7 -5.366 0.539 5.018 1.00 0.00 C ATOM 101 C ASP A 7 -6.553 1.412 5.410 1.00 0.00 C ATOM 102 O ASP A 7 -7.444 0.974 6.138 1.00 0.00 O ATOM 103 CB ASP A 7 -4.316 0.554 6.130 1.00 0.00 C ATOM 104 CG ASP A 7 -3.375 -0.632 6.055 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.645 -1.554 5.257 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.369 -0.639 6.795 1.00 0.00 O ATOM 0 H ASP A 7 -3.816 1.316 3.839 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.720 -0.482 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.739 1.476 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.817 0.556 7.098 1.00 0.00 H new ATOM 111 N ILE A 8 -6.558 2.648 4.923 1.00 0.00 N ATOM 112 CA ILE A 8 -7.636 3.583 5.223 1.00 0.00 C ATOM 113 C ILE A 8 -8.909 3.212 4.470 1.00 0.00 C ATOM 114 O ILE A 8 -10.015 3.348 4.994 1.00 0.00 O ATOM 115 CB ILE A 8 -7.244 5.028 4.865 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.414 5.648 5.991 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.486 5.863 4.594 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.890 7.030 5.666 1.00 0.00 C ATOM 0 H ILE A 8 -5.828 3.026 4.319 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.819 3.521 6.296 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.638 5.010 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.024 5.702 6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.572 4.992 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.192 6.882 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.041 5.430 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.116 5.877 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.311 7.407 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.254 6.979 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.727 7.700 5.472 1.00 0.00 H new ATOM 130 N LYS A 9 -8.746 2.742 3.238 1.00 0.00 N ATOM 131 CA LYS A 9 -9.882 2.349 2.412 1.00 0.00 C ATOM 132 C LYS A 9 -10.446 1.006 2.867 1.00 0.00 C ATOM 133 O LYS A 9 -11.618 0.705 2.640 1.00 0.00 O ATOM 134 CB LYS A 9 -9.466 2.267 0.942 1.00 0.00 C ATOM 135 CG LYS A 9 -9.006 0.884 0.515 1.00 0.00 C ATOM 136 CD LYS A 9 -8.008 0.955 -0.628 1.00 0.00 C ATOM 137 CE LYS A 9 -8.690 0.773 -1.975 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.695 -0.652 -2.407 1.00 0.00 N ATOM 0 H LYS A 9 -7.838 2.624 2.789 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.658 3.106 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.307 2.569 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.662 2.980 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.552 0.373 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.868 0.291 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.495 1.917 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.248 0.185 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.715 1.138 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.180 1.378 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.169 -0.734 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.716 -0.993 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.204 -1.226 -1.705 1.00 0.00 H new ATOM 152 N LYS A 10 -9.605 0.204 3.511 1.00 0.00 N ATOM 153 CA LYS A 10 -10.020 -1.105 4.001 1.00 0.00 C ATOM 154 C LYS A 10 -10.788 -0.977 5.312 1.00 0.00 C ATOM 155 O LYS A 10 -11.732 -1.726 5.565 1.00 0.00 O ATOM 156 CB LYS A 10 -8.800 -2.008 4.198 1.00 0.00 C ATOM 157 CG LYS A 10 -8.377 -2.150 5.650 1.00 0.00 C ATOM 158 CD LYS A 10 -7.090 -2.947 5.780 1.00 0.00 C ATOM 159 CE LYS A 10 -7.359 -4.366 6.256 1.00 0.00 C ATOM 160 NZ LYS A 10 -7.825 -4.398 7.670 1.00 0.00 N ATOM 0 H LYS A 10 -8.631 0.438 3.706 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.679 -1.552 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.021 -2.996 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.965 -1.608 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.240 -1.162 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.169 -2.642 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.580 -2.976 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.421 -2.448 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.111 -4.828 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.450 -4.960 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.645 -5.339 8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.312 -3.681 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.845 -4.196 7.704 1.00 0.00 H new ATOM 174 N ILE A 11 -10.379 -0.023 6.142 1.00 0.00 N ATOM 175 CA ILE A 11 -11.031 0.203 7.426 1.00 0.00 C ATOM 176 C ILE A 11 -12.368 0.914 7.245 1.00 0.00 C ATOM 177 O ILE A 11 -13.334 0.631 7.955 1.00 0.00 O ATOM 178 CB ILE A 11 -10.143 1.037 8.369 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.784 2.374 7.718 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.884 0.263 8.732 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.898 3.246 8.579 1.00 0.00 C ATOM 0 H ILE A 11 -9.599 0.606 5.948 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.200 -0.777 7.872 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.699 1.239 9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.282 2.184 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.702 2.916 7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.266 0.865 9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.159 -0.666 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.323 0.035 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.684 4.177 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.406 3.467 9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.964 2.723 8.786 1.00 0.00 H new ATOM 193 N ILE A 12 -12.417 1.836 6.290 1.00 0.00 N ATOM 194 CA ILE A 12 -13.637 2.585 6.014 1.00 0.00 C ATOM 195 C ILE A 12 -14.636 1.740 5.231 1.00 0.00 C ATOM 196 O ILE A 12 -15.848 1.884 5.393 1.00 0.00 O ATOM 197 CB ILE A 12 -13.341 3.873 5.223 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.770 3.531 3.845 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.376 4.759 5.996 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.791 3.612 2.732 1.00 0.00 C ATOM 0 H ILE A 12 -11.627 2.082 5.694 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.068 2.852 6.979 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.274 4.419 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.947 4.210 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.353 2.524 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.177 5.665 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.817 5.026 6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.442 4.222 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.317 3.357 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.603 2.912 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.190 4.625 2.677 1.00 0.00 H new ATOM 212 N SER A 13 -14.119 0.856 4.384 1.00 0.00 N ATOM 213 CA SER A 13 -14.965 -0.012 3.574 1.00 0.00 C ATOM 214 C SER A 13 -15.630 -1.081 4.436 1.00 0.00 C ATOM 215 O SER A 13 -16.768 -1.479 4.185 1.00 0.00 O ATOM 216 CB SER A 13 -14.142 -0.674 2.467 1.00 0.00 C ATOM 217 OG SER A 13 -14.911 -1.635 1.765 1.00 0.00 O ATOM 0 H SER A 13 -13.118 0.722 4.241 1.00 0.00 H new ATOM 0 HA SER A 13 -15.744 0.602 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.782 0.086 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.263 -1.152 2.899 1.00 0.00 H new ATOM 0 HG SER A 13 -14.363 -2.042 1.062 1.00 0.00 H new ATOM 223 N LYS A 14 -14.912 -1.542 5.455 1.00 0.00 N ATOM 224 CA LYS A 14 -15.430 -2.563 6.357 1.00 0.00 C ATOM 225 C LYS A 14 -16.207 -1.930 7.506 1.00 0.00 C ATOM 226 O LYS A 14 -17.052 -2.576 8.126 1.00 0.00 O ATOM 227 CB LYS A 14 -14.284 -3.413 6.909 1.00 0.00 C ATOM 228 CG LYS A 14 -13.448 -2.700 7.958 1.00 0.00 C ATOM 229 CD LYS A 14 -13.745 -3.220 9.355 1.00 0.00 C ATOM 230 CE LYS A 14 -12.774 -4.318 9.760 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.098 -4.879 11.101 1.00 0.00 N ATOM 0 H LYS A 14 -13.969 -1.224 5.677 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.109 -3.202 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.695 -4.325 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.637 -3.715 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.390 -2.836 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.647 -1.629 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.686 -2.399 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.765 -3.603 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.798 -5.116 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.759 -3.920 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.413 -5.624 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.051 -4.123 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.057 -5.282 11.086 1.00 0.00 H new ATOM 245 N GLN A 15 -15.917 -0.663 7.785 1.00 0.00 N ATOM 246 CA GLN A 15 -16.590 0.056 8.860 1.00 0.00 C ATOM 247 C GLN A 15 -17.960 0.552 8.408 1.00 0.00 C ATOM 248 O GLN A 15 -18.989 -0.015 8.776 1.00 0.00 O ATOM 249 CB GLN A 15 -15.735 1.236 9.325 1.00 0.00 C ATOM 250 CG GLN A 15 -16.391 2.071 10.413 1.00 0.00 C ATOM 251 CD GLN A 15 -17.074 1.222 11.467 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.372 0.208 11.959 1.00 0.00 O flip ATOM 253 NE2 GLN A 15 -18.222 1.475 11.836 1.00 0.00 N flip ATOM 0 H GLN A 15 -15.221 -0.114 7.281 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.730 -0.633 9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.781 0.860 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.517 1.875 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.637 2.698 10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.123 2.740 9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.725 2.264 11.431 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.669 0.895 12.546 1.00 0.00 H new ATOM 262 N LEU A 16 -17.965 1.614 7.610 1.00 0.00 N ATOM 263 CA LEU A 16 -19.209 2.188 7.109 1.00 0.00 C ATOM 264 C LEU A 16 -19.529 1.660 5.714 1.00 0.00 C ATOM 265 O LEU A 16 -20.689 1.622 5.304 1.00 0.00 O ATOM 266 CB LEU A 16 -19.115 3.714 7.079 1.00 0.00 C ATOM 267 CG LEU A 16 -18.502 4.373 8.316 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.005 4.562 8.133 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.179 5.706 8.601 1.00 0.00 C ATOM 0 H LEU A 16 -17.122 2.095 7.296 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.013 1.893 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.528 4.005 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.118 4.117 6.936 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.663 3.717 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.586 5.032 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.532 3.592 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.822 5.197 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.730 6.161 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.050 6.370 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.242 5.544 8.777 1.00 0.00 H new ATOM 281 N SER A 17 -18.492 1.251 4.990 1.00 0.00 N ATOM 282 CA SER A 17 -18.661 0.726 3.640 1.00 0.00 C ATOM 283 C SER A 17 -19.203 1.801 2.703 1.00 0.00 C ATOM 284 O SER A 17 -20.328 1.704 2.212 1.00 0.00 O ATOM 285 CB SER A 17 -19.605 -0.478 3.653 1.00 0.00 C ATOM 286 OG SER A 17 -19.356 -1.333 2.551 1.00 0.00 O ATOM 0 H SER A 17 -17.526 1.273 5.316 1.00 0.00 H new ATOM 0 HA SER A 17 -17.684 0.409 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.480 -1.032 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.639 -0.134 3.624 1.00 0.00 H new ATOM 0 HG SER A 17 -18.461 -1.723 2.635 1.00 0.00 H new ATOM 292 N VAL A 18 -18.395 2.828 2.460 1.00 0.00 N ATOM 293 CA VAL A 18 -18.791 3.922 1.582 1.00 0.00 C ATOM 294 C VAL A 18 -17.694 4.242 0.572 1.00 0.00 C ATOM 295 O VAL A 18 -16.707 3.516 0.464 1.00 0.00 O ATOM 296 CB VAL A 18 -19.122 5.194 2.384 1.00 0.00 C ATOM 297 CG1 VAL A 18 -20.167 4.898 3.449 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.861 5.772 3.010 1.00 0.00 C ATOM 0 H VAL A 18 -17.461 2.925 2.859 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.685 3.593 1.051 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.535 5.936 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.388 5.809 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.078 4.533 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.785 4.139 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -18.113 6.671 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.417 5.036 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.148 6.024 2.225 1.00 0.00 H new ATOM 308 N GLU A 19 -17.875 5.334 -0.164 1.00 0.00 N ATOM 309 CA GLU A 19 -16.900 5.749 -1.166 1.00 0.00 C ATOM 310 C GLU A 19 -15.869 6.698 -0.561 1.00 0.00 C ATOM 311 O GLU A 19 -16.216 7.764 -0.052 1.00 0.00 O ATOM 312 CB GLU A 19 -17.603 6.426 -2.344 1.00 0.00 C ATOM 313 CG GLU A 19 -18.565 7.526 -1.929 1.00 0.00 C ATOM 314 CD GLU A 19 -18.495 8.737 -2.839 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.983 8.601 -3.970 1.00 0.00 O ATOM 316 OE2 GLU A 19 -18.952 9.821 -2.420 1.00 0.00 O ATOM 0 H GLU A 19 -18.687 5.947 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.383 4.859 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.851 6.846 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.149 5.673 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.582 7.134 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.343 7.831 -0.907 1.00 0.00 H new ATOM 323 N GLU A 20 -14.602 6.301 -0.620 1.00 0.00 N ATOM 324 CA GLU A 20 -13.521 7.116 -0.077 1.00 0.00 C ATOM 325 C GLU A 20 -13.232 8.309 -0.982 1.00 0.00 C ATOM 326 O GLU A 20 -12.413 9.168 -0.653 1.00 0.00 O ATOM 327 CB GLU A 20 -12.255 6.274 0.096 1.00 0.00 C ATOM 328 CG GLU A 20 -11.536 5.982 -1.209 1.00 0.00 C ATOM 329 CD GLU A 20 -10.874 4.617 -1.218 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.601 3.605 -1.296 1.00 0.00 O ATOM 331 OE2 GLU A 20 -9.628 4.563 -1.148 1.00 0.00 O ATOM 0 H GLU A 20 -14.299 5.421 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.836 7.489 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.573 6.793 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.519 5.331 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.247 6.042 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.781 6.749 -1.383 1.00 0.00 H new ATOM 338 N ASP A 21 -13.908 8.356 -2.124 1.00 0.00 N ATOM 339 CA ASP A 21 -13.725 9.443 -3.078 1.00 0.00 C ATOM 340 C ASP A 21 -14.072 10.787 -2.444 1.00 0.00 C ATOM 341 O ASP A 21 -13.700 11.842 -2.956 1.00 0.00 O ATOM 342 CB ASP A 21 -14.588 9.213 -4.320 1.00 0.00 C ATOM 343 CG ASP A 21 -14.193 10.112 -5.475 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.318 9.707 -6.269 1.00 0.00 O ATOM 345 OD2 ASP A 21 -14.757 11.220 -5.584 1.00 0.00 O ATOM 0 H ASP A 21 -14.589 7.653 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.676 9.460 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.504 8.171 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.634 9.388 -4.069 1.00 0.00 H new ATOM 350 N LYS A 22 -14.790 10.740 -1.327 1.00 0.00 N ATOM 351 CA LYS A 22 -15.189 11.952 -0.622 1.00 0.00 C ATOM 352 C LYS A 22 -14.524 12.028 0.749 1.00 0.00 C ATOM 353 O LYS A 22 -14.736 12.981 1.500 1.00 0.00 O ATOM 354 CB LYS A 22 -16.711 11.999 -0.466 1.00 0.00 C ATOM 355 CG LYS A 22 -17.333 10.646 -0.163 1.00 0.00 C ATOM 356 CD LYS A 22 -17.029 10.198 1.257 1.00 0.00 C ATOM 357 CE LYS A 22 -17.615 11.158 2.281 1.00 0.00 C ATOM 358 NZ LYS A 22 -17.829 10.499 3.599 1.00 0.00 N ATOM 0 H LYS A 22 -15.108 9.875 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.864 12.809 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.965 12.694 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.150 12.394 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.412 10.701 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.956 9.905 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.434 9.199 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.950 10.131 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.946 12.010 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.563 11.549 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.149 11.205 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.551 9.756 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.937 10.075 3.924 1.00 0.00 H new ATOM 372 N ILE A 23 -13.720 11.020 1.068 1.00 0.00 N ATOM 373 CA ILE A 23 -13.023 10.975 2.347 1.00 0.00 C ATOM 374 C ILE A 23 -11.681 11.694 2.267 1.00 0.00 C ATOM 375 O ILE A 23 -11.211 12.262 3.253 1.00 0.00 O ATOM 376 CB ILE A 23 -12.788 9.525 2.809 1.00 0.00 C ATOM 377 CG1 ILE A 23 -13.833 9.124 3.853 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.383 9.369 3.371 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.663 9.831 5.180 1.00 0.00 C ATOM 0 H ILE A 23 -13.535 10.223 0.458 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.661 11.480 3.072 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.889 8.864 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.827 9.338 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.779 8.047 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.232 8.339 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.653 9.619 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.255 10.038 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.437 9.499 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.682 9.597 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.747 10.908 5.032 1.00 0.00 H new ATOM 391 N GLN A 24 -11.070 11.668 1.087 1.00 0.00 N ATOM 392 CA GLN A 24 -9.782 12.319 0.878 1.00 0.00 C ATOM 393 C GLN A 24 -9.968 13.788 0.511 1.00 0.00 C ATOM 394 O GLN A 24 -9.612 14.213 -0.587 1.00 0.00 O ATOM 395 CB GLN A 24 -8.996 11.602 -0.221 1.00 0.00 C ATOM 396 CG GLN A 24 -9.759 11.475 -1.530 1.00 0.00 C ATOM 397 CD GLN A 24 -9.183 12.347 -2.628 1.00 0.00 C ATOM 398 OE1 GLN A 24 -7.971 12.551 -2.703 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.051 12.868 -3.487 1.00 0.00 N ATOM 0 H GLN A 24 -11.446 11.203 0.261 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.220 12.264 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.067 12.142 -0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.723 10.606 0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.747 10.434 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.802 11.746 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.047 12.672 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.722 13.464 -4.247 1.00 0.00 H new ATOM 408 N MET A 25 -10.528 14.558 1.438 1.00 0.00 N ATOM 409 CA MET A 25 -10.760 15.980 1.212 1.00 0.00 C ATOM 410 C MET A 25 -9.520 16.796 1.565 1.00 0.00 C ATOM 411 O MET A 25 -9.517 18.020 1.444 1.00 0.00 O ATOM 412 CB MET A 25 -11.954 16.462 2.038 1.00 0.00 C ATOM 413 CG MET A 25 -13.169 16.819 1.197 1.00 0.00 C ATOM 414 SD MET A 25 -13.091 18.496 0.540 1.00 0.00 S ATOM 415 CE MET A 25 -13.004 18.166 -1.219 1.00 0.00 C ATOM 0 H MET A 25 -10.829 14.221 2.352 1.00 0.00 H new ATOM 0 HA MET A 25 -10.979 16.123 0.154 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.231 15.684 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.655 17.334 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.254 16.113 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 25 -14.069 16.712 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 25 -12.951 19.109 -1.764 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.116 17.572 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.892 17.617 -1.531 1.00 0.00 H new ATOM 425 N ASN A 26 -8.470 16.109 2.002 1.00 0.00 N ATOM 426 CA ASN A 26 -7.225 16.771 2.374 1.00 0.00 C ATOM 427 C ASN A 26 -7.438 17.702 3.563 1.00 0.00 C ATOM 428 O ASN A 26 -6.609 18.568 3.843 1.00 0.00 O ATOM 429 CB ASN A 26 -6.668 17.560 1.187 1.00 0.00 C ATOM 430 CG ASN A 26 -5.155 17.504 1.114 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.466 18.419 1.568 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.629 16.427 0.542 1.00 0.00 N ATOM 0 H ASN A 26 -8.456 15.095 2.107 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.506 16.003 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.088 17.165 0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.987 18.599 1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.616 16.334 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.238 15.693 0.180 1.00 0.00 H new ATOM 439 N SER A 27 -8.555 17.518 4.260 1.00 0.00 N ATOM 440 CA SER A 27 -8.879 18.343 5.417 1.00 0.00 C ATOM 441 C SER A 27 -8.837 17.520 6.701 1.00 0.00 C ATOM 442 O SER A 27 -7.848 17.542 7.433 1.00 0.00 O ATOM 443 CB SER A 27 -10.263 18.974 5.249 1.00 0.00 C ATOM 444 OG SER A 27 -10.168 20.261 4.662 1.00 0.00 O ATOM 0 H SER A 27 -9.251 16.804 4.043 1.00 0.00 H new ATOM 0 HA SER A 27 -8.132 19.134 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.886 18.332 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.753 19.049 6.220 1.00 0.00 H new ATOM 0 HG SER A 27 -11.065 20.643 4.563 1.00 0.00 H new ATOM 450 N ASN A 28 -9.918 16.794 6.967 1.00 0.00 N ATOM 451 CA ASN A 28 -10.005 15.963 8.163 1.00 0.00 C ATOM 452 C ASN A 28 -10.888 14.744 7.914 1.00 0.00 C ATOM 453 O ASN A 28 -11.500 14.613 6.854 1.00 0.00 O ATOM 454 CB ASN A 28 -10.558 16.777 9.335 1.00 0.00 C ATOM 455 CG ASN A 28 -9.475 17.192 10.312 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.345 16.619 11.393 1.00 0.00 O ATOM 457 ND2 ASN A 28 -8.691 18.195 9.933 1.00 0.00 N ATOM 0 H ASN A 28 -10.745 16.764 6.371 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.001 15.618 8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.058 17.666 8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.311 16.189 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.945 18.519 10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.835 18.641 9.027 1.00 0.00 H new ATOM 464 N PHE A 29 -10.950 13.854 8.900 1.00 0.00 N ATOM 465 CA PHE A 29 -11.758 12.645 8.788 1.00 0.00 C ATOM 466 C PHE A 29 -13.005 12.742 9.662 1.00 0.00 C ATOM 467 O PHE A 29 -13.986 12.030 9.445 1.00 0.00 O ATOM 468 CB PHE A 29 -10.935 11.419 9.189 1.00 0.00 C ATOM 469 CG PHE A 29 -10.385 10.657 8.017 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.181 11.024 7.438 1.00 0.00 C ATOM 471 CD2 PHE A 29 -11.073 9.574 7.493 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.672 10.325 6.360 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.569 8.871 6.415 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.368 9.248 5.847 1.00 0.00 C ATOM 0 H PHE A 29 -10.451 13.947 9.785 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.071 12.541 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.109 11.738 9.825 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.558 10.752 9.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.634 11.867 7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.014 9.276 7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.731 10.620 5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.114 8.028 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.974 8.702 5.003 1.00 0.00 H new ATOM 484 N THR A 30 -12.960 13.629 10.651 1.00 0.00 N ATOM 485 CA THR A 30 -14.084 13.819 11.559 1.00 0.00 C ATOM 486 C THR A 30 -14.590 15.256 11.515 1.00 0.00 C ATOM 487 O THR A 30 -15.565 15.603 12.182 1.00 0.00 O ATOM 488 CB THR A 30 -13.702 13.465 13.009 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.751 13.855 13.901 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.406 14.154 13.410 1.00 0.00 C ATOM 0 H THR A 30 -12.157 14.227 10.843 1.00 0.00 H new ATOM 0 HA THR A 30 -14.876 13.148 11.226 1.00 0.00 H new ATOM 0 HB THR A 30 -13.556 12.387 13.070 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.468 14.288 13.393 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.156 13.889 14.437 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.603 13.833 12.747 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.529 15.234 13.333 1.00 0.00 H new ATOM 498 N LYS A 31 -13.922 16.089 10.724 1.00 0.00 N ATOM 499 CA LYS A 31 -14.305 17.490 10.590 1.00 0.00 C ATOM 500 C LYS A 31 -14.813 17.783 9.182 1.00 0.00 C ATOM 501 O LYS A 31 -15.909 18.317 9.006 1.00 0.00 O ATOM 502 CB LYS A 31 -13.116 18.398 10.914 1.00 0.00 C ATOM 503 CG LYS A 31 -12.259 17.891 12.061 1.00 0.00 C ATOM 504 CD LYS A 31 -11.493 19.023 12.726 1.00 0.00 C ATOM 505 CE LYS A 31 -10.589 19.741 11.735 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.905 21.194 11.648 1.00 0.00 N ATOM 0 H LYS A 31 -13.112 15.818 10.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.110 17.690 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.494 18.500 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.486 19.393 11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.891 17.396 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.557 17.144 11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.196 19.734 13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.894 18.626 13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.549 19.613 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.696 19.286 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.268 21.647 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.890 21.317 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.778 21.633 12.582 1.00 0.00 H new ATOM 520 N ASP A 32 -14.012 17.429 8.183 1.00 0.00 N ATOM 521 CA ASP A 32 -14.383 17.652 6.791 1.00 0.00 C ATOM 522 C ASP A 32 -15.788 17.128 6.512 1.00 0.00 C ATOM 523 O ASP A 32 -16.606 17.811 5.893 1.00 0.00 O ATOM 524 CB ASP A 32 -13.378 16.973 5.859 1.00 0.00 C ATOM 525 CG ASP A 32 -13.851 16.947 4.418 1.00 0.00 C ATOM 526 OD1 ASP A 32 -13.841 18.015 3.771 1.00 0.00 O ATOM 527 OD2 ASP A 32 -14.229 15.858 3.939 1.00 0.00 O ATOM 0 H ASP A 32 -13.102 16.987 8.311 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.372 18.726 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.423 17.496 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.203 15.952 6.199 1.00 0.00 H new ATOM 532 N LEU A 33 -16.063 15.912 6.971 1.00 0.00 N ATOM 533 CA LEU A 33 -17.370 15.295 6.770 1.00 0.00 C ATOM 534 C LEU A 33 -18.033 14.980 8.106 1.00 0.00 C ATOM 535 O LEU A 33 -19.259 14.944 8.209 1.00 0.00 O ATOM 536 CB LEU A 33 -17.230 14.017 5.942 1.00 0.00 C ATOM 537 CG LEU A 33 -15.949 13.212 6.161 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.040 12.401 7.444 1.00 0.00 C ATOM 539 CD2 LEU A 33 -15.681 12.301 4.971 1.00 0.00 C ATOM 0 H LEU A 33 -15.398 15.334 7.485 1.00 0.00 H new ATOM 0 HA LEU A 33 -18.000 16.002 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -18.082 13.372 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -17.292 14.283 4.887 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.117 13.910 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.119 11.835 7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.184 13.073 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.883 11.713 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.765 11.736 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.515 11.611 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.570 12.903 4.069 1.00 0.00 H new ATOM 551 N GLY A 34 -17.215 14.752 9.129 1.00 0.00 N ATOM 552 CA GLY A 34 -17.741 14.445 10.446 1.00 0.00 C ATOM 553 C GLY A 34 -18.796 13.357 10.410 1.00 0.00 C ATOM 554 O GLY A 34 -19.911 13.548 10.893 1.00 0.00 O ATOM 0 H GLY A 34 -16.197 14.774 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.924 14.133 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.169 15.348 10.882 1.00 0.00 H new ATOM 558 N ALA A 35 -18.444 12.212 9.833 1.00 0.00 N ATOM 559 CA ALA A 35 -19.368 11.090 9.735 1.00 0.00 C ATOM 560 C ALA A 35 -19.941 10.729 11.101 1.00 0.00 C ATOM 561 O ALA A 35 -21.065 11.106 11.433 1.00 0.00 O ATOM 562 CB ALA A 35 -18.673 9.886 9.117 1.00 0.00 C ATOM 0 H ALA A 35 -17.525 12.038 9.426 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.195 11.388 9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.375 9.055 9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.319 10.143 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.826 9.596 9.739 1.00 0.00 H new ATOM 568 N ASP A 36 -19.161 9.998 11.890 1.00 0.00 N ATOM 569 CA ASP A 36 -19.591 9.587 13.221 1.00 0.00 C ATOM 570 C ASP A 36 -18.420 9.022 14.020 1.00 0.00 C ATOM 571 O ASP A 36 -17.742 8.077 13.621 1.00 0.00 O ATOM 572 CB ASP A 36 -20.706 8.545 13.122 1.00 0.00 C ATOM 573 CG ASP A 36 -22.018 9.044 13.694 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.652 9.911 13.057 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.411 8.569 14.781 1.00 0.00 O ATOM 0 H ASP A 36 -18.228 9.678 11.631 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.972 10.467 13.740 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.850 8.270 12.077 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.403 7.641 13.651 1.00 0.00 H new ATOM 580 N SER A 37 -18.163 9.618 15.197 1.00 0.00 N ATOM 581 CA SER A 37 -17.080 9.257 16.141 1.00 0.00 C ATOM 582 C SER A 37 -16.894 7.736 16.277 1.00 0.00 C ATOM 583 O SER A 37 -15.775 7.223 16.328 1.00 0.00 O ATOM 584 CB SER A 37 -17.422 9.912 17.489 1.00 0.00 C ATOM 585 OG SER A 37 -18.604 9.341 18.053 1.00 0.00 O ATOM 0 H SER A 37 -18.726 10.398 15.535 1.00 0.00 H new ATOM 0 HA SER A 37 -16.125 9.623 15.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.588 9.786 18.180 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.563 10.984 17.351 1.00 0.00 H new ATOM 590 N LEU A 38 -18.017 7.029 16.335 1.00 0.00 N ATOM 591 CA LEU A 38 -18.000 5.576 16.466 1.00 0.00 C ATOM 592 C LEU A 38 -17.316 4.929 15.266 1.00 0.00 C ATOM 593 O LEU A 38 -16.412 4.108 15.422 1.00 0.00 O ATOM 594 CB LEU A 38 -19.426 5.041 16.605 1.00 0.00 C ATOM 595 CG LEU A 38 -20.353 5.832 17.528 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.234 6.773 16.721 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.205 4.888 18.365 1.00 0.00 C ATOM 0 H LEU A 38 -18.951 7.438 16.293 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.434 5.323 17.363 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.877 5.005 15.614 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.374 4.015 16.968 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.739 6.430 18.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.887 7.328 17.395 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.608 7.472 16.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.840 6.195 16.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.859 5.468 19.016 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.810 4.264 17.707 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.558 4.255 18.972 1.00 0.00 H new ATOM 609 N ASP A 39 -17.752 5.306 14.069 1.00 0.00 N ATOM 610 CA ASP A 39 -17.180 4.765 12.842 1.00 0.00 C ATOM 611 C ASP A 39 -15.746 5.250 12.651 1.00 0.00 C ATOM 612 O ASP A 39 -14.864 4.478 12.271 1.00 0.00 O ATOM 613 CB ASP A 39 -18.032 5.166 11.637 1.00 0.00 C ATOM 614 CG ASP A 39 -19.499 4.839 11.830 1.00 0.00 C ATOM 615 OD1 ASP A 39 -20.179 5.575 12.576 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.969 3.847 11.235 1.00 0.00 O ATOM 0 H ASP A 39 -18.500 5.984 13.923 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.169 3.678 12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.922 6.236 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.663 4.654 10.748 1.00 0.00 H new ATOM 621 N LEU A 40 -15.521 6.532 12.915 1.00 0.00 N ATOM 622 CA LEU A 40 -14.194 7.121 12.772 1.00 0.00 C ATOM 623 C LEU A 40 -13.194 6.445 13.705 1.00 0.00 C ATOM 624 O LEU A 40 -12.149 5.963 13.269 1.00 0.00 O ATOM 625 CB LEU A 40 -14.246 8.622 13.062 1.00 0.00 C ATOM 626 CG LEU A 40 -13.665 9.535 11.982 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.204 9.199 11.729 1.00 0.00 C ATOM 628 CD2 LEU A 40 -14.471 9.420 10.697 1.00 0.00 C ATOM 0 H LEU A 40 -16.240 7.184 13.229 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.865 6.967 11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.286 8.904 13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.713 8.810 13.994 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.724 10.565 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.807 9.859 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.635 9.333 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.121 8.164 11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.043 10.077 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.444 8.390 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.504 9.711 10.888 1.00 0.00 H new ATOM 640 N VAL A 41 -13.523 6.413 14.993 1.00 0.00 N ATOM 641 CA VAL A 41 -12.656 5.793 15.988 1.00 0.00 C ATOM 642 C VAL A 41 -12.519 4.295 15.741 1.00 0.00 C ATOM 643 O VAL A 41 -11.534 3.678 16.143 1.00 0.00 O ATOM 644 CB VAL A 41 -13.189 6.020 17.416 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.318 5.297 18.432 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.262 7.508 17.726 1.00 0.00 C ATOM 0 H VAL A 41 -14.383 6.809 15.371 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.678 6.265 15.893 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.196 5.609 17.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.710 5.469 19.435 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.322 4.228 18.219 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.298 5.675 18.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.640 7.651 18.738 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.267 7.946 17.646 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.931 7.995 17.017 1.00 0.00 H new ATOM 656 N GLU A 42 -13.515 3.717 15.077 1.00 0.00 N ATOM 657 CA GLU A 42 -13.505 2.290 14.777 1.00 0.00 C ATOM 658 C GLU A 42 -12.518 1.977 13.655 1.00 0.00 C ATOM 659 O GLU A 42 -11.498 1.323 13.875 1.00 0.00 O ATOM 660 CB GLU A 42 -14.907 1.819 14.384 1.00 0.00 C ATOM 661 CG GLU A 42 -15.724 1.298 15.554 1.00 0.00 C ATOM 662 CD GLU A 42 -15.757 -0.217 15.615 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.722 -0.820 15.967 1.00 0.00 O ATOM 664 OE2 GLU A 42 -16.818 -0.799 15.309 1.00 0.00 O ATOM 0 H GLU A 42 -14.338 4.214 14.737 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.189 1.758 15.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.442 2.647 13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.820 1.033 13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.308 1.686 16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.743 1.677 15.478 1.00 0.00 H new ATOM 671 N LEU A 43 -12.831 2.447 12.452 1.00 0.00 N ATOM 672 CA LEU A 43 -11.973 2.217 11.295 1.00 0.00 C ATOM 673 C LEU A 43 -10.522 2.559 11.616 1.00 0.00 C ATOM 674 O LEU A 43 -9.598 1.902 11.135 1.00 0.00 O ATOM 675 CB LEU A 43 -12.454 3.051 10.106 1.00 0.00 C ATOM 676 CG LEU A 43 -12.544 4.560 10.337 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.291 5.253 9.825 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.784 5.129 9.663 1.00 0.00 C ATOM 0 H LEU A 43 -13.672 2.989 12.253 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.029 1.160 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.782 2.872 9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.439 2.690 9.809 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.622 4.741 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.372 6.326 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.420 4.866 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.182 5.065 8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.832 6.204 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.736 4.937 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.673 4.654 10.077 1.00 0.00 H new ATOM 690 N ILE A 44 -10.329 3.589 12.434 1.00 0.00 N ATOM 691 CA ILE A 44 -8.990 4.015 12.822 1.00 0.00 C ATOM 692 C ILE A 44 -8.304 2.957 13.680 1.00 0.00 C ATOM 693 O ILE A 44 -7.182 2.542 13.391 1.00 0.00 O ATOM 694 CB ILE A 44 -9.025 5.345 13.597 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.354 6.503 12.652 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.696 5.586 14.296 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.648 7.803 13.368 1.00 0.00 C ATOM 0 H ILE A 44 -11.083 4.143 12.840 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.424 4.156 11.901 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.806 5.286 14.355 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.517 6.654 11.971 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.216 6.230 12.043 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.737 6.530 14.839 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.500 4.773 14.995 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.898 5.628 13.555 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.873 8.579 12.636 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.504 7.669 14.029 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.779 8.099 13.956 1.00 0.00 H new ATOM 709 N MET A 45 -8.986 2.525 14.735 1.00 0.00 N ATOM 710 CA MET A 45 -8.443 1.514 15.634 1.00 0.00 C ATOM 711 C MET A 45 -7.949 0.301 14.852 1.00 0.00 C ATOM 712 O MET A 45 -6.988 -0.357 15.250 1.00 0.00 O ATOM 713 CB MET A 45 -9.501 1.083 16.651 1.00 0.00 C ATOM 714 CG MET A 45 -10.199 -0.218 16.288 1.00 0.00 C ATOM 715 SD MET A 45 -11.656 -0.531 17.303 1.00 0.00 S ATOM 716 CE MET A 45 -11.007 -1.728 18.467 1.00 0.00 C ATOM 0 H MET A 45 -9.916 2.859 14.988 1.00 0.00 H new ATOM 0 HA MET A 45 -7.597 1.952 16.164 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.030 0.973 17.628 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.247 1.872 16.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.492 -0.188 15.238 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.498 -1.045 16.400 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.792 -2.021 19.164 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.655 -2.607 17.927 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.178 -1.286 19.019 1.00 0.00 H new ATOM 726 N ALA A 46 -8.612 0.010 13.737 1.00 0.00 N ATOM 727 CA ALA A 46 -8.239 -1.122 12.899 1.00 0.00 C ATOM 728 C ALA A 46 -6.969 -0.826 12.109 1.00 0.00 C ATOM 729 O ALA A 46 -6.098 -1.686 11.968 1.00 0.00 O ATOM 730 CB ALA A 46 -9.378 -1.478 11.955 1.00 0.00 C ATOM 0 H ALA A 46 -9.411 0.543 13.394 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.041 -1.974 13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.085 -2.325 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.263 -1.741 12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.603 -0.623 11.318 1.00 0.00 H new ATOM 736 N LEU A 47 -6.868 0.395 11.596 1.00 0.00 N ATOM 737 CA LEU A 47 -5.704 0.805 10.819 1.00 0.00 C ATOM 738 C LEU A 47 -4.417 0.581 11.607 1.00 0.00 C ATOM 739 O LEU A 47 -3.450 0.023 11.090 1.00 0.00 O ATOM 740 CB LEU A 47 -5.823 2.278 10.423 1.00 0.00 C ATOM 741 CG LEU A 47 -5.383 2.628 9.000 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.610 4.105 8.720 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.922 2.261 8.789 1.00 0.00 C ATOM 0 H LEU A 47 -7.579 1.119 11.704 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.667 0.195 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.862 2.584 10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.231 2.870 11.121 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.987 2.050 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.291 4.336 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.669 4.338 8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.032 4.702 9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.626 2.517 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.303 2.812 9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.789 1.191 8.947 1.00 0.00 H new ATOM 755 N GLU A 48 -4.414 1.020 12.863 1.00 0.00 N ATOM 756 CA GLU A 48 -3.247 0.866 13.722 1.00 0.00 C ATOM 757 C GLU A 48 -3.033 -0.599 14.092 1.00 0.00 C ATOM 758 O GLU A 48 -1.900 -1.076 14.150 1.00 0.00 O ATOM 759 CB GLU A 48 -3.406 1.705 14.991 1.00 0.00 C ATOM 760 CG GLU A 48 -4.731 1.489 15.702 1.00 0.00 C ATOM 761 CD GLU A 48 -4.764 2.120 17.081 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.703 2.162 17.738 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.849 2.571 17.502 1.00 0.00 O ATOM 0 H GLU A 48 -5.206 1.484 13.307 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.374 1.215 13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.593 1.468 15.677 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.309 2.760 14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.536 1.906 15.097 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.921 0.419 15.792 1.00 0.00 H new ATOM 770 N GLU A 49 -4.130 -1.307 14.341 1.00 0.00 N ATOM 771 CA GLU A 49 -4.062 -2.717 14.707 1.00 0.00 C ATOM 772 C GLU A 49 -3.452 -3.543 13.578 1.00 0.00 C ATOM 773 O GLU A 49 -2.850 -4.591 13.814 1.00 0.00 O ATOM 774 CB GLU A 49 -5.457 -3.247 15.045 1.00 0.00 C ATOM 775 CG GLU A 49 -5.442 -4.580 15.773 1.00 0.00 C ATOM 776 CD GLU A 49 -6.090 -4.505 17.142 1.00 0.00 C ATOM 777 OE1 GLU A 49 -5.457 -3.960 18.070 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.231 -4.992 17.284 1.00 0.00 O ATOM 0 H GLU A 49 -5.076 -0.928 14.296 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.424 -2.807 15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.976 -2.512 15.661 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.029 -3.352 14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.961 -5.325 15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.412 -4.919 15.881 1.00 0.00 H new ATOM 785 N LYS A 50 -3.613 -3.064 12.349 1.00 0.00 N ATOM 786 CA LYS A 50 -3.079 -3.756 11.182 1.00 0.00 C ATOM 787 C LYS A 50 -1.597 -3.446 10.997 1.00 0.00 C ATOM 788 O LYS A 50 -0.802 -4.332 10.683 1.00 0.00 O ATOM 789 CB LYS A 50 -3.855 -3.353 9.925 1.00 0.00 C ATOM 790 CG LYS A 50 -3.135 -3.690 8.631 1.00 0.00 C ATOM 791 CD LYS A 50 -2.722 -5.152 8.587 1.00 0.00 C ATOM 792 CE LYS A 50 -3.175 -5.820 7.297 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.256 -7.300 7.438 1.00 0.00 N ATOM 0 H LYS A 50 -4.109 -2.199 12.135 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.191 -4.828 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.825 -3.851 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.047 -2.281 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.784 -3.469 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.252 -3.058 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.638 -5.228 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.150 -5.678 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.151 -5.429 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.481 -5.569 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.568 -7.718 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.320 -7.677 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.937 -7.541 8.186 1.00 0.00 H new ATOM 807 N PHE A 51 -1.231 -2.184 11.196 1.00 0.00 N ATOM 808 CA PHE A 51 0.156 -1.759 11.052 1.00 0.00 C ATOM 809 C PHE A 51 1.011 -2.295 12.197 1.00 0.00 C ATOM 810 O PHE A 51 2.238 -2.314 12.112 1.00 0.00 O ATOM 811 CB PHE A 51 0.242 -0.232 11.008 1.00 0.00 C ATOM 812 CG PHE A 51 0.153 0.335 9.620 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.973 -0.142 8.610 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.749 1.344 9.325 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.894 0.376 7.331 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.833 1.866 8.048 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.009 1.382 7.050 1.00 0.00 C ATOM 0 H PHE A 51 -1.876 -1.438 11.457 1.00 0.00 H new ATOM 0 HA PHE A 51 0.539 -2.165 10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.561 0.187 11.615 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.182 0.084 11.461 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.682 -0.928 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.394 1.727 10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.538 -0.006 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.542 2.651 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.071 1.790 6.052 1.00 0.00 H new ATOM 827 N ASN A 52 0.353 -2.729 13.266 1.00 0.00 N ATOM 828 CA ASN A 52 1.051 -3.264 14.429 1.00 0.00 C ATOM 829 C ASN A 52 1.823 -2.165 15.153 1.00 0.00 C ATOM 830 O ASN A 52 2.965 -2.364 15.569 1.00 0.00 O ATOM 831 CB ASN A 52 2.008 -4.380 14.006 1.00 0.00 C ATOM 832 CG ASN A 52 2.227 -5.402 15.105 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.980 -5.128 16.280 1.00 0.00 O ATOM 834 ND2 ASN A 52 2.694 -6.586 14.728 1.00 0.00 N ATOM 0 H ASN A 52 -0.663 -2.721 13.351 1.00 0.00 H new ATOM 0 HA ASN A 52 0.307 -3.672 15.113 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.611 -4.880 13.123 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.966 -3.945 13.722 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.862 -7.313 15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.885 -6.769 13.743 1.00 0.00 H new ATOM 841 N VAL A 53 1.191 -1.005 15.301 1.00 0.00 N ATOM 842 CA VAL A 53 1.817 0.126 15.977 1.00 0.00 C ATOM 843 C VAL A 53 1.064 0.489 17.252 1.00 0.00 C ATOM 844 O VAL A 53 0.057 -0.133 17.591 1.00 0.00 O ATOM 845 CB VAL A 53 1.880 1.362 15.061 1.00 0.00 C ATOM 846 CG1 VAL A 53 3.192 1.391 14.292 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.694 1.380 14.108 1.00 0.00 C ATOM 0 H VAL A 53 0.246 -0.824 14.962 1.00 0.00 H new ATOM 0 HA VAL A 53 2.832 -0.179 16.232 1.00 0.00 H new ATOM 0 HB VAL A 53 1.831 2.256 15.683 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.218 2.272 13.650 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.025 1.429 14.994 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.275 0.493 13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.755 2.260 13.468 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.709 0.481 13.491 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.233 1.411 14.681 1.00 0.00 H new ATOM 857 N THR A 54 1.559 1.502 17.957 1.00 0.00 N ATOM 858 CA THR A 54 0.934 1.949 19.195 1.00 0.00 C ATOM 859 C THR A 54 0.597 3.434 19.136 1.00 0.00 C ATOM 860 O THR A 54 1.468 4.285 19.320 1.00 0.00 O ATOM 861 CB THR A 54 1.845 1.688 20.410 1.00 0.00 C ATOM 862 OG1 THR A 54 1.235 2.203 21.599 1.00 0.00 O ATOM 863 CG2 THR A 54 3.208 2.335 20.212 1.00 0.00 C ATOM 0 H THR A 54 2.391 2.028 17.691 1.00 0.00 H new ATOM 0 HA THR A 54 0.014 1.375 19.310 1.00 0.00 H new ATOM 0 HB THR A 54 1.982 0.611 20.510 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.819 2.032 22.367 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.834 2.138 21.082 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.682 1.920 19.322 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.086 3.411 20.090 1.00 0.00 H new ATOM 871 N ILE A 55 -0.670 3.739 18.879 1.00 0.00 N ATOM 872 CA ILE A 55 -1.121 5.123 18.798 1.00 0.00 C ATOM 873 C ILE A 55 -2.424 5.322 19.565 1.00 0.00 C ATOM 874 O ILE A 55 -3.205 4.385 19.737 1.00 0.00 O ATOM 875 CB ILE A 55 -1.326 5.564 17.337 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.326 4.854 16.422 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.185 7.073 17.215 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.850 3.557 15.845 1.00 0.00 C ATOM 0 H ILE A 55 -1.403 3.047 18.723 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.340 5.736 19.248 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.334 5.287 17.027 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.055 5.523 15.605 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.586 4.650 16.983 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.333 7.369 16.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.933 7.560 17.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.189 7.373 17.540 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.089 3.109 15.207 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.094 2.870 16.656 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.745 3.756 15.256 1.00 0.00 H new ATOM 890 N SER A 56 -2.654 6.548 20.023 1.00 0.00 N ATOM 891 CA SER A 56 -3.862 6.871 20.773 1.00 0.00 C ATOM 892 C SER A 56 -4.297 8.309 20.511 1.00 0.00 C ATOM 893 O SER A 56 -5.253 8.557 19.776 1.00 0.00 O ATOM 894 CB SER A 56 -3.629 6.661 22.271 1.00 0.00 C ATOM 895 OG SER A 56 -3.801 5.300 22.628 1.00 0.00 O ATOM 0 H SER A 56 -2.019 7.335 19.888 1.00 0.00 H new ATOM 0 HA SER A 56 -4.656 6.204 20.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.622 6.985 22.535 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.322 7.280 22.840 1.00 0.00 H new ATOM 0 HG SER A 56 -3.724 4.740 21.828 1.00 0.00 H new ATOM 901 N ASP A 57 -3.587 9.255 21.118 1.00 0.00 N ATOM 902 CA ASP A 57 -3.898 10.670 20.951 1.00 0.00 C ATOM 903 C ASP A 57 -3.426 11.172 19.590 1.00 0.00 C ATOM 904 O ASP A 57 -3.685 12.316 19.217 1.00 0.00 O ATOM 905 CB ASP A 57 -3.249 11.491 22.065 1.00 0.00 C ATOM 906 CG ASP A 57 -4.091 11.526 23.325 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.279 11.899 23.233 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.563 11.181 24.403 1.00 0.00 O ATOM 0 H ASP A 57 -2.793 9.067 21.730 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.980 10.789 21.007 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.270 11.072 22.298 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.085 12.509 21.713 1.00 0.00 H new ATOM 913 N GLN A 58 -2.730 10.311 18.855 1.00 0.00 N ATOM 914 CA GLN A 58 -2.220 10.669 17.537 1.00 0.00 C ATOM 915 C GLN A 58 -2.791 9.747 16.464 1.00 0.00 C ATOM 916 O GLN A 58 -2.467 9.878 15.283 1.00 0.00 O ATOM 917 CB GLN A 58 -0.692 10.603 17.523 1.00 0.00 C ATOM 918 CG GLN A 58 -0.045 11.226 18.749 1.00 0.00 C ATOM 919 CD GLN A 58 -0.333 12.709 18.871 1.00 0.00 C ATOM 920 OE1 GLN A 58 -1.035 13.091 19.931 1.00 0.00 O flip ATOM 921 NE2 GLN A 58 0.072 13.504 18.022 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.506 9.361 19.150 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.534 11.690 17.318 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.382 9.561 17.449 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.323 11.109 16.631 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.403 10.716 19.643 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.033 11.072 18.704 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.608 13.167 17.223 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.129 14.499 18.118 1.00 0.00 H new ATOM 930 N ASP A 59 -3.640 8.815 16.882 1.00 0.00 N ATOM 931 CA ASP A 59 -4.256 7.872 15.956 1.00 0.00 C ATOM 932 C ASP A 59 -5.493 8.480 15.303 1.00 0.00 C ATOM 933 O ASP A 59 -5.949 8.013 14.260 1.00 0.00 O ATOM 934 CB ASP A 59 -4.632 6.581 16.686 1.00 0.00 C ATOM 935 CG ASP A 59 -4.518 5.359 15.796 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.509 5.246 15.070 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.439 4.515 15.825 1.00 0.00 O ATOM 0 H ASP A 59 -3.917 8.692 17.856 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.532 7.642 15.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.985 6.456 17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.653 6.662 17.058 1.00 0.00 H new ATOM 942 N ALA A 60 -6.030 9.525 15.924 1.00 0.00 N ATOM 943 CA ALA A 60 -7.213 10.198 15.402 1.00 0.00 C ATOM 944 C ALA A 60 -6.927 11.668 15.114 1.00 0.00 C ATOM 945 O ALA A 60 -7.759 12.373 14.542 1.00 0.00 O ATOM 946 CB ALA A 60 -8.370 10.066 16.382 1.00 0.00 C ATOM 0 H ALA A 60 -5.665 9.924 16.789 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.489 9.718 14.463 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.247 10.573 15.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.599 9.011 16.535 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.094 10.519 17.334 1.00 0.00 H new ATOM 952 N LEU A 61 -5.745 12.124 15.514 1.00 0.00 N ATOM 953 CA LEU A 61 -5.348 13.512 15.299 1.00 0.00 C ATOM 954 C LEU A 61 -4.209 13.602 14.288 1.00 0.00 C ATOM 955 O LEU A 61 -3.366 14.496 14.364 1.00 0.00 O ATOM 956 CB LEU A 61 -4.924 14.152 16.622 1.00 0.00 C ATOM 957 CG LEU A 61 -6.057 14.605 17.542 1.00 0.00 C ATOM 958 CD1 LEU A 61 -5.660 14.437 19.001 1.00 0.00 C ATOM 959 CD2 LEU A 61 -6.434 16.050 17.254 1.00 0.00 C ATOM 0 H LEU A 61 -5.045 11.554 15.989 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.206 14.053 14.900 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.305 13.438 17.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.296 15.015 16.400 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.928 13.978 17.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.479 14.765 19.641 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.441 13.388 19.200 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.775 15.038 19.209 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.242 16.355 17.919 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.568 16.692 17.418 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.762 16.141 16.219 1.00 0.00 H new ATOM 971 N LYS A 62 -4.191 12.671 13.340 1.00 0.00 N ATOM 972 CA LYS A 62 -3.158 12.646 12.312 1.00 0.00 C ATOM 973 C LYS A 62 -3.738 12.212 10.969 1.00 0.00 C ATOM 974 O LYS A 62 -3.622 12.926 9.973 1.00 0.00 O ATOM 975 CB LYS A 62 -2.026 11.701 12.719 1.00 0.00 C ATOM 976 CG LYS A 62 -0.998 12.342 13.635 1.00 0.00 C ATOM 977 CD LYS A 62 0.389 11.767 13.406 1.00 0.00 C ATOM 978 CE LYS A 62 0.645 10.557 14.291 1.00 0.00 C ATOM 979 NZ LYS A 62 1.733 10.810 15.276 1.00 0.00 N ATOM 0 H LYS A 62 -4.881 11.924 13.263 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.760 13.655 12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.452 10.831 13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.525 11.340 11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.979 13.418 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.289 12.188 14.674 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.498 11.483 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.139 12.532 13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.271 10.294 14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.910 9.702 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.753 10.041 15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.647 10.851 14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.560 11.714 15.759 1.00 0.00 H new ATOM 993 N ILE A 63 -4.364 11.040 10.951 1.00 0.00 N ATOM 994 CA ILE A 63 -4.964 10.514 9.731 1.00 0.00 C ATOM 995 C ILE A 63 -5.973 11.497 9.147 1.00 0.00 C ATOM 996 O ILE A 63 -6.297 11.438 7.961 1.00 0.00 O ATOM 997 CB ILE A 63 -5.664 9.166 9.984 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.636 8.093 10.348 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.464 8.747 8.760 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.368 7.992 11.834 1.00 0.00 C ATOM 0 H ILE A 63 -4.469 10.437 11.767 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.152 10.364 9.019 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.352 9.282 10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.986 7.127 9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.700 8.308 9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.953 7.792 8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.218 9.503 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.795 8.645 7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.630 7.212 12.018 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.987 8.945 12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.293 7.746 12.355 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.465 12.401 9.987 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.437 13.398 9.554 1.00 0.00 C ATOM 1014 C ASN A 64 -7.092 13.926 8.165 1.00 0.00 C ATOM 1015 O ASN A 64 -7.944 13.970 7.276 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.491 14.556 10.553 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.315 14.548 11.511 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.419 14.056 12.635 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.188 15.095 11.069 1.00 0.00 N ATOM 0 H ASN A 64 -6.207 12.464 10.972 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.415 12.920 9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.507 15.501 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.419 14.499 11.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.363 15.119 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.147 15.491 10.130 1.00 0.00 H new ATOM 1026 N THR A 65 -5.837 14.325 7.984 1.00 0.00 N ATOM 1027 CA THR A 65 -5.379 14.850 6.704 1.00 0.00 C ATOM 1028 C THR A 65 -4.639 13.783 5.905 1.00 0.00 C ATOM 1029 O THR A 65 -3.701 13.160 6.402 1.00 0.00 O ATOM 1030 CB THR A 65 -4.455 16.067 6.894 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.103 15.631 7.079 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.893 16.898 8.090 1.00 0.00 C ATOM 0 H THR A 65 -5.119 14.294 8.708 1.00 0.00 H new ATOM 0 HA THR A 65 -6.267 15.161 6.154 1.00 0.00 H new ATOM 0 HB THR A 65 -4.518 16.686 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.490 16.360 6.850 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.225 17.752 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.912 17.252 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.856 16.286 8.991 1.00 0.00 H new ATOM 1040 N VAL A 66 -5.066 13.578 4.663 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.442 12.587 3.794 1.00 0.00 C ATOM 1042 C VAL A 66 -2.922 12.644 3.899 1.00 0.00 C ATOM 1043 O VAL A 66 -2.248 11.615 3.855 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.852 12.791 2.324 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -4.109 11.819 1.421 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.357 12.636 2.165 1.00 0.00 C ATOM 0 H VAL A 66 -5.841 14.085 4.236 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.790 11.610 4.128 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.580 13.804 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.412 11.979 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.036 11.984 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.346 10.796 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.630 12.783 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.655 11.636 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.866 13.377 2.781 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.389 13.854 4.037 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.947 14.045 4.148 1.00 0.00 C ATOM 1058 C GLN A 67 -0.422 13.478 5.463 1.00 0.00 C ATOM 1059 O GLN A 67 0.442 12.601 5.471 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.599 15.531 4.045 1.00 0.00 C ATOM 1061 CG GLN A 67 0.854 15.839 4.365 1.00 0.00 C ATOM 1062 CD GLN A 67 1.820 15.120 3.444 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.081 15.568 2.327 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.358 13.998 3.908 1.00 0.00 N ATOM 0 H GLN A 67 -2.933 14.716 4.075 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.471 13.509 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.822 15.879 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.239 16.093 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.018 16.914 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.063 15.556 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.114 13.663 4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.015 13.472 3.333 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.950 13.984 6.572 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.535 13.527 7.893 1.00 0.00 C ATOM 1075 C ASP A 68 -0.772 12.028 8.049 1.00 0.00 C ATOM 1076 O ASP A 68 -0.095 11.361 8.831 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.291 14.291 8.981 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.809 15.721 9.126 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.177 16.086 8.452 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.419 16.476 9.912 1.00 0.00 O ATOM 0 H ASP A 68 -1.666 14.710 6.582 1.00 0.00 H new ATOM 0 HA ASP A 68 0.532 13.721 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.356 14.292 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.174 13.773 9.933 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.738 11.506 7.300 1.00 0.00 N ATOM 1086 CA ALA A 69 -2.063 10.086 7.355 1.00 0.00 C ATOM 1087 C ALA A 69 -0.904 9.237 6.844 1.00 0.00 C ATOM 1088 O ALA A 69 -0.376 8.391 7.567 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.322 9.802 6.549 1.00 0.00 C ATOM 0 H ALA A 69 -2.309 12.045 6.649 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.243 9.820 8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.553 8.738 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.154 10.374 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.162 10.091 5.510 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.513 9.467 5.595 1.00 0.00 N ATOM 1096 CA ILE A 70 0.584 8.724 4.988 1.00 0.00 C ATOM 1097 C ILE A 70 1.885 8.941 5.754 1.00 0.00 C ATOM 1098 O ILE A 70 2.784 8.100 5.722 1.00 0.00 O ATOM 1099 CB ILE A 70 0.794 9.129 3.518 1.00 0.00 C ATOM 1100 CG1 ILE A 70 2.053 8.465 2.957 1.00 0.00 C ATOM 1101 CG2 ILE A 70 0.886 10.642 3.393 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.039 6.956 3.063 1.00 0.00 C ATOM 0 H ILE A 70 -0.940 10.163 4.983 1.00 0.00 H new ATOM 0 HA ILE A 70 0.311 7.669 5.030 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.063 8.788 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.167 8.747 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.924 8.850 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.034 10.912 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.037 11.094 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.726 11.006 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.962 6.553 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.957 6.666 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.188 6.560 2.509 1.00 0.00 H new ATOM 1114 N ASP A 71 1.977 10.073 6.443 1.00 0.00 N ATOM 1115 CA ASP A 71 3.167 10.400 7.220 1.00 0.00 C ATOM 1116 C ASP A 71 3.137 9.705 8.578 1.00 0.00 C ATOM 1117 O ASP A 71 4.180 9.464 9.186 1.00 0.00 O ATOM 1118 CB ASP A 71 3.278 11.913 7.410 1.00 0.00 C ATOM 1119 CG ASP A 71 4.229 12.288 8.529 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.457 12.247 8.303 1.00 0.00 O ATOM 1121 OD2 ASP A 71 3.747 12.622 9.632 1.00 0.00 O ATOM 0 H ASP A 71 1.242 10.779 6.479 1.00 0.00 H new ATOM 0 HA ASP A 71 4.039 10.046 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.618 12.369 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.291 12.323 7.624 1.00 0.00 H new ATOM 1126 N TYR A 72 1.936 9.388 9.048 1.00 0.00 N ATOM 1127 CA TYR A 72 1.770 8.724 10.336 1.00 0.00 C ATOM 1128 C TYR A 72 2.056 7.230 10.220 1.00 0.00 C ATOM 1129 O TYR A 72 2.532 6.603 11.167 1.00 0.00 O ATOM 1130 CB TYR A 72 0.352 8.944 10.867 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.358 7.663 11.243 1.00 0.00 C ATOM 1132 CD1 TYR A 72 -0.045 6.990 12.417 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.345 7.127 10.424 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.691 5.819 12.764 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.997 5.958 10.763 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.667 5.307 11.934 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.314 4.142 12.276 1.00 0.00 O ATOM 0 H TYR A 72 1.063 9.580 8.557 1.00 0.00 H new ATOM 0 HA TYR A 72 2.485 9.158 11.035 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.397 9.595 11.740 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.234 9.466 10.110 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.717 7.389 13.070 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.606 7.634 9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.433 5.307 13.680 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.761 5.555 10.115 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.780 4.265 13.129 1.00 0.00 H new ATOM 1147 N ILE A 73 1.762 6.667 9.053 1.00 0.00 N ATOM 1148 CA ILE A 73 1.989 5.248 8.811 1.00 0.00 C ATOM 1149 C ILE A 73 3.420 4.991 8.351 1.00 0.00 C ATOM 1150 O ILE A 73 3.988 3.933 8.621 1.00 0.00 O ATOM 1151 CB ILE A 73 1.015 4.694 7.755 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.356 5.252 6.372 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.420 5.032 8.130 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.248 4.343 5.557 1.00 0.00 C ATOM 0 H ILE A 73 1.366 7.172 8.260 1.00 0.00 H new ATOM 0 HA ILE A 73 1.816 4.735 9.757 1.00 0.00 H new ATOM 0 HB ILE A 73 1.116 3.609 7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.431 5.428 5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.846 6.218 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.097 4.634 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.657 4.590 9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.536 6.114 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.448 4.802 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.188 4.186 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.751 3.384 5.408 1.00 0.00 H new ATOM 1166 N GLU A 74 3.998 5.966 7.657 1.00 0.00 N ATOM 1167 CA GLU A 74 5.363 5.845 7.160 1.00 0.00 C ATOM 1168 C GLU A 74 6.373 6.112 8.273 1.00 0.00 C ATOM 1169 O GLU A 74 7.452 5.521 8.303 1.00 0.00 O ATOM 1170 CB GLU A 74 5.596 6.817 6.002 1.00 0.00 C ATOM 1171 CG GLU A 74 4.930 6.389 4.705 1.00 0.00 C ATOM 1172 CD GLU A 74 5.493 5.090 4.161 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.630 4.733 4.534 1.00 0.00 O ATOM 1174 OE2 GLU A 74 4.796 4.431 3.361 1.00 0.00 O ATOM 0 H GLU A 74 3.542 6.849 7.426 1.00 0.00 H new ATOM 0 HA GLU A 74 5.503 4.825 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.223 7.802 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.668 6.918 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.859 6.275 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.055 7.175 3.960 1.00 0.00 H new ATOM 1181 N LYS A 75 6.013 7.007 9.187 1.00 0.00 N ATOM 1182 CA LYS A 75 6.885 7.354 10.303 1.00 0.00 C ATOM 1183 C LYS A 75 6.821 6.290 11.395 1.00 0.00 C ATOM 1184 O LYS A 75 7.825 5.987 12.039 1.00 0.00 O ATOM 1185 CB LYS A 75 6.492 8.715 10.881 1.00 0.00 C ATOM 1186 CG LYS A 75 5.252 8.670 11.756 1.00 0.00 C ATOM 1187 CD LYS A 75 4.703 10.062 12.017 1.00 0.00 C ATOM 1188 CE LYS A 75 5.541 10.808 13.044 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.038 12.191 13.272 1.00 0.00 N ATOM 0 H LYS A 75 5.123 7.505 9.177 1.00 0.00 H new ATOM 0 HA LYS A 75 7.908 7.406 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.325 9.106 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.323 9.413 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.487 8.061 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.492 8.189 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.681 10.626 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.674 9.988 12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.534 10.259 13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.577 10.849 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.636 12.666 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.068 12.723 12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.058 12.151 13.618 1.00 0.00 H new ATOM 1203 N ASN A 76 5.635 5.725 11.595 1.00 0.00 N ATOM 1204 CA ASN A 76 5.441 4.693 12.608 1.00 0.00 C ATOM 1205 C ASN A 76 5.749 3.310 12.042 1.00 0.00 C ATOM 1206 O ASN A 76 6.568 2.573 12.588 1.00 0.00 O ATOM 1207 CB ASN A 76 4.007 4.733 13.138 1.00 0.00 C ATOM 1208 CG ASN A 76 3.745 5.946 14.009 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.610 6.166 14.992 1.00 0.00 O flip ATOM 1210 ND2 ASN A 76 2.777 6.677 13.799 1.00 0.00 N flip ATOM 0 H ASN A 76 4.794 5.964 11.070 1.00 0.00 H new ATOM 0 HA ASN A 76 6.130 4.891 13.429 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.312 4.736 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.810 3.828 13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.138 6.469 13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.614 7.490 14.392 1.00 0.00 H new ATOM 1217 N ASN A 77 5.085 2.966 10.943 1.00 0.00 N ATOM 1218 CA ASN A 77 5.287 1.671 10.302 1.00 0.00 C ATOM 1219 C ASN A 77 6.260 1.789 9.133 1.00 0.00 C ATOM 1220 O ASN A 77 6.336 2.827 8.476 1.00 0.00 O ATOM 1221 CB ASN A 77 3.951 1.107 9.814 1.00 0.00 C ATOM 1222 CG ASN A 77 4.115 0.182 8.623 1.00 0.00 C ATOM 1223 OD1 ASN A 77 4.252 -1.031 8.779 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.102 0.754 7.424 1.00 0.00 N ATOM 0 H ASN A 77 4.403 3.565 10.478 1.00 0.00 H new ATOM 0 HA ASN A 77 5.714 0.991 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.469 0.565 10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.289 1.930 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.208 0.183 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.986 1.764 7.342 1.00 0.00 H new ATOM 1231 N LYS A 78 7.002 0.717 8.879 1.00 0.00 N ATOM 1232 CA LYS A 78 7.970 0.697 7.788 1.00 0.00 C ATOM 1233 C LYS A 78 8.180 -0.723 7.273 1.00 0.00 C ATOM 1234 O LYS A 78 9.247 -1.053 6.756 1.00 0.00 O ATOM 1235 CB LYS A 78 9.305 1.285 8.253 1.00 0.00 C ATOM 1236 CG LYS A 78 9.282 2.796 8.409 1.00 0.00 C ATOM 1237 CD LYS A 78 10.645 3.335 8.811 1.00 0.00 C ATOM 1238 CE LYS A 78 10.528 4.683 9.504 1.00 0.00 C ATOM 1239 NZ LYS A 78 10.854 4.591 10.955 1.00 0.00 N ATOM 0 H LYS A 78 6.952 -0.150 9.414 1.00 0.00 H new ATOM 0 HA LYS A 78 7.575 1.305 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.579 0.834 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.081 1.014 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.970 3.255 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.543 3.074 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.137 2.625 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.274 3.433 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.199 5.397 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.515 5.067 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.763 5.530 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.198 3.929 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.829 4.249 11.071 1.00 0.00 H new ATOM 1253 N GLN A 79 7.155 -1.557 7.416 1.00 0.00 N ATOM 1254 CA GLN A 79 7.228 -2.941 6.963 1.00 0.00 C ATOM 1255 C GLN A 79 7.244 -3.016 5.440 1.00 0.00 C ATOM 1256 O GLN A 79 6.202 -2.918 4.792 1.00 0.00 O ATOM 1257 CB GLN A 79 6.047 -3.743 7.513 1.00 0.00 C ATOM 1258 CG GLN A 79 6.153 -4.041 8.999 1.00 0.00 C ATOM 1259 CD GLN A 79 7.343 -4.918 9.335 1.00 0.00 C ATOM 1260 OE1 GLN A 79 7.245 -6.145 9.332 1.00 0.00 O ATOM 1261 NE2 GLN A 79 8.477 -4.291 9.628 1.00 0.00 N ATOM 0 H GLN A 79 6.265 -1.299 7.842 1.00 0.00 H new ATOM 0 HA GLN A 79 8.156 -3.371 7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.126 -3.191 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.971 -4.683 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.231 -3.103 9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.239 -4.532 9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.513 -3.272 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.311 -4.829 9.863 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -19.519 10.151 19.099 1.00 0.00 P HETATM 1272 O25 PNS A 137 -20.200 9.029 20.036 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.785 11.175 19.874 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.715 10.750 18.200 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.672 12.077 17.665 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.764 12.358 16.612 1.00 0.00 C HETATM 1277 C30 PNS A 137 -23.137 11.994 17.207 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.479 11.458 15.391 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.662 13.854 16.229 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.949 14.693 17.353 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.573 14.323 15.066 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.614 13.726 14.774 1.00 0.00 O HETATM 1283 N36 PNS A 137 -22.226 15.415 14.372 1.00 0.00 N HETATM 1284 C37 PNS A 137 -21.046 16.268 14.615 1.00 0.00 C HETATM 1285 C38 PNS A 137 -21.227 17.587 13.857 1.00 0.00 C HETATM 1286 C39 PNS A 137 -20.162 18.626 14.271 1.00 0.00 C HETATM 1287 O40 PNS A 137 -20.234 19.129 15.392 1.00 0.00 O HETATM 1288 N41 PNS A 137 -19.187 18.949 13.411 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.990 18.435 12.040 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.715 19.026 11.438 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.766 20.849 11.249 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.868 18.759 12.069 1.00 0.00 H new HETATM 0 H431 PNS A 137 -17.541 18.573 10.462 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.848 18.693 11.419 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.924 17.347 12.057 1.00 0.00 H new HETATM 0 H382 PNS A 137 -22.222 17.987 14.052 1.00 0.00 H new HETATM 0 H381 PNS A 137 -21.161 17.404 12.784 1.00 0.00 H new HETATM 0 H372 PNS A 137 -20.140 15.762 14.282 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.931 16.458 15.682 1.00 0.00 H new HETATM 0 H313 PNS A 137 -22.235 11.633 14.626 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.506 10.412 15.696 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.494 11.693 14.988 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.916 12.189 16.470 1.00 0.00 H new HETATM 0 H302 PNS A 137 -23.320 12.597 18.096 1.00 0.00 H new HETATM 0 H301 PNS A 137 -23.148 10.938 17.476 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.694 12.246 17.215 1.00 0.00 H new HETATM 0 H281 PNS A 137 -20.775 12.792 18.482 1.00 0.00 H new HETATM 0 H44 PNS A 137 -16.646 21.263 10.735 1.00 0.00 H new HETATM 0 H41 PNS A 137 -18.501 19.628 13.741 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.837 15.683 13.600 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.867 15.029 17.284 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.631 13.948 15.888 1.00 0.00 H new