USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 555 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 Set 1.1: A 56 GLN : amide:sc= -1.21 K(o=-1.5,f=-5.5!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.249 X(o=-1.5,f=-0.98) USER MOD Set 2.1: A 45 ASN : amide:sc= -1.13 K(o=-2.1,f=0.0033) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= -0.984 (180deg=-0.0707) USER MOD Set 3.1: A 15 ASN : amide:sc= -7.69! C(o=-18!,f=-8.6!) USER MOD Set 3.2: A 16 GLN : amide:sc= -10.3! C(o=-18!,f=-8.6!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.203 (180deg=-0.822) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.364 (180deg=-0.539) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0217 (180deg=-0.249) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -2.45! (180deg=-3.47!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 0.0502 (180deg=0.00642) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.135 USER MOD Single : A 27 GLN : amide:sc= -2.91 K(o=-2.9,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -3.09! (180deg=-4.73!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.66! USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0337 (180deg=-0.278) USER MOD Single : A 49 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.25) USER MOD Single : A 53 TYR OH : rot -90:sc= 1.29 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 120:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.278 10.435 5.666 1.00 0.00 N ATOM 2 CA MET A 1 -6.109 9.754 5.052 1.00 0.00 C ATOM 3 C MET A 1 -5.519 8.712 5.996 1.00 0.00 C ATOM 4 O MET A 1 -4.504 8.088 5.690 1.00 0.00 O ATOM 5 CB MET A 1 -5.054 10.811 4.709 1.00 0.00 C ATOM 6 CG MET A 1 -5.531 11.841 3.698 1.00 0.00 C ATOM 7 SD MET A 1 -4.279 13.087 3.330 1.00 0.00 S ATOM 8 CE MET A 1 -4.024 13.803 4.952 1.00 0.00 C ATOM 0 H1 MET A 1 -7.710 11.077 4.971 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.977 9.725 5.963 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.966 10.981 6.494 1.00 0.00 H new ATOM 0 HA MET A 1 -6.431 9.235 4.149 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.754 11.323 5.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.167 10.313 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.815 11.334 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.425 12.333 4.081 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.586 14.796 4.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.980 13.881 5.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.351 13.168 5.528 1.00 0.00 H new ATOM 20 N ARG A 2 -6.164 8.532 7.144 1.00 0.00 N ATOM 21 CA ARG A 2 -5.701 7.568 8.135 1.00 0.00 C ATOM 22 C ARG A 2 -6.266 6.178 7.851 1.00 0.00 C ATOM 23 O ARG A 2 -6.767 5.502 8.749 1.00 0.00 O ATOM 24 CB ARG A 2 -6.098 8.021 9.542 1.00 0.00 C ATOM 25 CG ARG A 2 -7.599 8.181 9.732 1.00 0.00 C ATOM 26 CD ARG A 2 -7.939 8.661 11.137 1.00 0.00 C ATOM 27 NE ARG A 2 -9.378 8.814 11.331 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.930 9.225 12.469 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.166 9.523 13.512 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.248 9.338 12.565 1.00 0.00 N ATOM 0 H ARG A 2 -7.007 9.040 7.411 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.614 7.514 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.724 7.297 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.610 8.971 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.985 8.891 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.094 7.228 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.549 7.952 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.445 9.615 11.324 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.995 8.593 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.152 9.437 13.443 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.593 9.838 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.839 9.110 11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.671 9.653 13.438 1.00 0.00 H new ATOM 44 N LYS A 3 -6.177 5.756 6.593 1.00 0.00 N ATOM 45 CA LYS A 3 -6.672 4.445 6.190 1.00 0.00 C ATOM 46 C LYS A 3 -5.554 3.411 6.262 1.00 0.00 C ATOM 47 O LYS A 3 -4.750 3.287 5.336 1.00 0.00 O ATOM 48 CB LYS A 3 -7.237 4.504 4.771 1.00 0.00 C ATOM 49 CG LYS A 3 -7.942 3.229 4.338 1.00 0.00 C ATOM 50 CD LYS A 3 -8.686 3.428 3.027 1.00 0.00 C ATOM 51 CE LYS A 3 -9.868 4.371 3.193 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.605 4.570 1.915 1.00 0.00 N ATOM 0 H LYS A 3 -5.767 6.303 5.836 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.468 4.151 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.937 5.336 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.425 4.713 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.212 2.427 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.643 2.917 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.003 3.828 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.037 2.465 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.548 3.971 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.515 5.334 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.403 5.219 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.963 4.975 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.965 3.655 1.576 1.00 0.00 H new ATOM 66 N LYS A 4 -5.506 2.678 7.367 1.00 0.00 N ATOM 67 CA LYS A 4 -4.486 1.665 7.566 1.00 0.00 C ATOM 68 C LYS A 4 -5.093 0.269 7.537 1.00 0.00 C ATOM 69 O LYS A 4 -6.212 0.061 8.009 1.00 0.00 O ATOM 70 CB LYS A 4 -3.746 1.887 8.890 1.00 0.00 C ATOM 71 CG LYS A 4 -4.666 1.952 10.114 1.00 0.00 C ATOM 72 CD LYS A 4 -5.422 3.271 10.176 1.00 0.00 C ATOM 73 CE LYS A 4 -6.345 3.335 11.383 1.00 0.00 C ATOM 74 NZ LYS A 4 -5.599 3.182 12.663 1.00 0.00 N ATOM 0 H LYS A 4 -6.166 2.769 8.140 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.771 1.751 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.026 1.081 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.177 2.815 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.376 1.126 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.075 1.828 11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.711 4.096 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.006 3.399 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.876 4.287 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.098 2.551 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.220 3.432 13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.284 2.196 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.771 3.811 12.660 1.00 0.00 H new ATOM 88 N LEU A 5 -4.351 -0.685 6.988 1.00 0.00 N ATOM 89 CA LEU A 5 -4.823 -2.056 6.910 1.00 0.00 C ATOM 90 C LEU A 5 -3.669 -3.015 6.641 1.00 0.00 C ATOM 91 O LEU A 5 -2.613 -2.611 6.156 1.00 0.00 O ATOM 92 CB LEU A 5 -5.910 -2.190 5.829 1.00 0.00 C ATOM 93 CG LEU A 5 -5.566 -1.589 4.459 1.00 0.00 C ATOM 94 CD1 LEU A 5 -4.386 -2.305 3.816 1.00 0.00 C ATOM 95 CD2 LEU A 5 -6.782 -1.642 3.540 1.00 0.00 C ATOM 0 H LEU A 5 -3.423 -0.532 6.592 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.261 -2.322 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.134 -3.248 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.820 -1.715 6.195 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.280 -0.548 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.170 -1.853 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.512 -2.217 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.630 -3.358 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.525 -1.213 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.093 -2.678 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.599 -1.073 3.984 1.00 0.00 H new ATOM 107 N ASP A 6 -3.877 -4.288 6.957 1.00 0.00 N ATOM 108 CA ASP A 6 -2.855 -5.302 6.745 1.00 0.00 C ATOM 109 C ASP A 6 -2.642 -5.533 5.243 1.00 0.00 C ATOM 110 O ASP A 6 -3.503 -6.120 4.588 1.00 0.00 O ATOM 111 CB ASP A 6 -3.270 -6.615 7.413 1.00 0.00 C ATOM 112 CG ASP A 6 -3.457 -6.469 8.910 1.00 0.00 C ATOM 113 OD1 ASP A 6 -4.314 -5.662 9.326 1.00 0.00 O ATOM 114 OD2 ASP A 6 -2.746 -7.163 9.667 1.00 0.00 O ATOM 0 H ASP A 6 -4.745 -4.641 7.361 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.922 -4.954 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.199 -6.969 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.513 -7.374 7.217 1.00 0.00 H new ATOM 119 N LEU A 7 -1.508 -5.069 4.690 1.00 0.00 N ATOM 120 CA LEU A 7 -1.231 -5.241 3.265 1.00 0.00 C ATOM 121 C LEU A 7 -1.644 -6.630 2.800 1.00 0.00 C ATOM 122 O LEU A 7 -2.302 -6.769 1.770 1.00 0.00 O ATOM 123 CB LEU A 7 0.258 -4.987 2.973 1.00 0.00 C ATOM 124 CG LEU A 7 0.708 -5.213 1.516 1.00 0.00 C ATOM 125 CD1 LEU A 7 0.838 -6.698 1.217 1.00 0.00 C ATOM 126 CD2 LEU A 7 -0.255 -4.550 0.541 1.00 0.00 C ATOM 0 H LEU A 7 -0.779 -4.578 5.207 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.819 -4.511 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.492 -3.959 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.850 -5.634 3.620 1.00 0.00 H new ATOM 0 HG LEU A 7 1.688 -4.752 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.157 -6.835 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.576 -7.141 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.126 -7.185 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.084 -4.724 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.251 -4.973 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.288 -3.478 0.735 1.00 0.00 H new ATOM 138 N LYS A 8 -1.275 -7.650 3.569 1.00 0.00 N ATOM 139 CA LYS A 8 -1.640 -9.020 3.230 1.00 0.00 C ATOM 140 C LYS A 8 -3.114 -9.065 2.855 1.00 0.00 C ATOM 141 O LYS A 8 -3.472 -9.374 1.722 1.00 0.00 O ATOM 142 CB LYS A 8 -1.372 -9.952 4.418 1.00 0.00 C ATOM 143 CG LYS A 8 -1.786 -11.405 4.202 1.00 0.00 C ATOM 144 CD LYS A 8 -0.837 -12.182 3.293 1.00 0.00 C ATOM 145 CE LYS A 8 -0.877 -11.696 1.852 1.00 0.00 C ATOM 146 NZ LYS A 8 0.029 -12.486 0.974 1.00 0.00 N ATOM 0 H LYS A 8 -0.728 -7.555 4.424 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.037 -9.356 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.307 -9.924 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.899 -9.565 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.841 -11.906 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.788 -11.429 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.180 -12.092 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.097 -13.240 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.897 -11.763 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.592 -10.645 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.239 -11.942 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.915 -12.687 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.432 -13.381 0.715 1.00 0.00 H new ATOM 160 N LYS A 9 -3.954 -8.724 3.823 1.00 0.00 N ATOM 161 CA LYS A 9 -5.404 -8.689 3.626 1.00 0.00 C ATOM 162 C LYS A 9 -5.768 -7.942 2.343 1.00 0.00 C ATOM 163 O LYS A 9 -6.590 -8.409 1.553 1.00 0.00 O ATOM 164 CB LYS A 9 -6.085 -8.017 4.831 1.00 0.00 C ATOM 165 CG LYS A 9 -7.495 -7.495 4.573 1.00 0.00 C ATOM 166 CD LYS A 9 -8.541 -8.603 4.594 1.00 0.00 C ATOM 167 CE LYS A 9 -8.828 -9.143 3.202 1.00 0.00 C ATOM 168 NZ LYS A 9 -9.857 -10.219 3.225 1.00 0.00 N ATOM 0 H LYS A 9 -3.656 -8.465 4.763 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.757 -9.716 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.125 -8.733 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.462 -7.186 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.746 -6.749 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.522 -6.993 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.196 -9.415 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.463 -8.222 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.167 -8.330 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.907 -9.530 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.024 -10.560 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.523 -11.006 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.744 -9.843 3.617 1.00 0.00 H new ATOM 182 N PHE A 10 -5.168 -6.772 2.148 1.00 0.00 N ATOM 183 CA PHE A 10 -5.454 -5.960 0.969 1.00 0.00 C ATOM 184 C PHE A 10 -5.161 -6.723 -0.318 1.00 0.00 C ATOM 185 O PHE A 10 -5.954 -6.688 -1.259 1.00 0.00 O ATOM 186 CB PHE A 10 -4.656 -4.654 0.999 1.00 0.00 C ATOM 187 CG PHE A 10 -5.006 -3.685 -0.113 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.335 -3.373 -0.396 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.011 -3.074 -0.875 1.00 0.00 C ATOM 190 CE1 PHE A 10 -6.657 -2.484 -1.400 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.338 -2.185 -1.881 1.00 0.00 C ATOM 192 CZ PHE A 10 -5.661 -1.892 -2.143 1.00 0.00 C ATOM 0 H PHE A 10 -4.484 -6.366 2.787 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.518 -5.722 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.820 -4.163 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.593 -4.889 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.124 -3.834 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.973 -3.298 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.692 -2.252 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.557 -1.719 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.915 -1.198 -2.931 1.00 0.00 H new ATOM 202 N VAL A 11 -4.024 -7.410 -0.361 1.00 0.00 N ATOM 203 CA VAL A 11 -3.653 -8.173 -1.542 1.00 0.00 C ATOM 204 C VAL A 11 -4.475 -9.456 -1.618 1.00 0.00 C ATOM 205 O VAL A 11 -4.582 -10.078 -2.673 1.00 0.00 O ATOM 206 CB VAL A 11 -2.146 -8.542 -1.552 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.277 -7.393 -1.070 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.893 -9.761 -0.698 1.00 0.00 C ATOM 0 H VAL A 11 -3.350 -7.453 0.403 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.856 -7.540 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.877 -8.759 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.230 -7.694 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.421 -6.530 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.556 -7.129 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.831 -10.005 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.200 -9.557 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.465 -10.603 -1.087 1.00 0.00 H new ATOM 218 N GLU A 12 -5.046 -9.848 -0.480 1.00 0.00 N ATOM 219 CA GLU A 12 -5.848 -11.060 -0.404 1.00 0.00 C ATOM 220 C GLU A 12 -7.121 -10.936 -1.232 1.00 0.00 C ATOM 221 O GLU A 12 -7.723 -11.943 -1.607 1.00 0.00 O ATOM 222 CB GLU A 12 -6.209 -11.385 1.051 1.00 0.00 C ATOM 223 CG GLU A 12 -5.036 -11.821 1.900 1.00 0.00 C ATOM 224 CD GLU A 12 -5.457 -12.328 3.267 1.00 0.00 C ATOM 225 OE1 GLU A 12 -6.112 -11.568 4.009 1.00 0.00 O ATOM 226 OE2 GLU A 12 -5.133 -13.489 3.594 1.00 0.00 O ATOM 0 H GLU A 12 -4.966 -9.341 0.401 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.247 -11.872 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.664 -10.505 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.962 -12.174 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.488 -12.606 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.351 -10.982 2.024 1.00 0.00 H new ATOM 233 N ASP A 13 -7.531 -9.699 -1.510 1.00 0.00 N ATOM 234 CA ASP A 13 -8.739 -9.451 -2.292 1.00 0.00 C ATOM 235 C ASP A 13 -8.774 -10.346 -3.522 1.00 0.00 C ATOM 236 O ASP A 13 -9.784 -10.991 -3.806 1.00 0.00 O ATOM 237 CB ASP A 13 -8.819 -7.980 -2.703 1.00 0.00 C ATOM 238 CG ASP A 13 -10.113 -7.660 -3.426 1.00 0.00 C ATOM 239 OD1 ASP A 13 -11.188 -7.791 -2.805 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.051 -7.288 -4.615 1.00 0.00 O ATOM 0 H ASP A 13 -7.045 -8.856 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.603 -9.685 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.734 -7.351 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.974 -7.738 -3.348 1.00 0.00 H new ATOM 245 N LYS A 14 -7.656 -10.399 -4.231 1.00 0.00 N ATOM 246 CA LYS A 14 -7.542 -11.232 -5.417 1.00 0.00 C ATOM 247 C LYS A 14 -6.077 -11.327 -5.844 1.00 0.00 C ATOM 248 O LYS A 14 -5.706 -10.968 -6.959 1.00 0.00 O ATOM 249 CB LYS A 14 -8.457 -10.698 -6.542 1.00 0.00 C ATOM 250 CG LYS A 14 -8.085 -9.322 -7.081 1.00 0.00 C ATOM 251 CD LYS A 14 -7.438 -9.444 -8.455 1.00 0.00 C ATOM 252 CE LYS A 14 -7.166 -8.087 -9.083 1.00 0.00 C ATOM 253 NZ LYS A 14 -6.549 -8.213 -10.433 1.00 0.00 N ATOM 0 H LYS A 14 -6.812 -9.873 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.882 -12.243 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.445 -11.410 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.481 -10.660 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.976 -8.697 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.399 -8.828 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.502 -9.996 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.088 -10.022 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.099 -7.530 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.505 -7.513 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.019 -7.346 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.902 -9.027 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.295 -8.354 -11.144 1.00 0.00 H new ATOM 267 N ASN A 15 -5.248 -11.813 -4.915 1.00 0.00 N ATOM 268 CA ASN A 15 -3.806 -11.962 -5.143 1.00 0.00 C ATOM 269 C ASN A 15 -3.113 -10.605 -5.094 1.00 0.00 C ATOM 270 O ASN A 15 -3.751 -9.567 -5.267 1.00 0.00 O ATOM 271 CB ASN A 15 -3.526 -12.643 -6.488 1.00 0.00 C ATOM 272 CG ASN A 15 -2.034 -12.760 -6.767 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.318 -13.464 -6.053 1.00 0.00 O ATOM 274 ND2 ASN A 15 -1.550 -12.063 -7.794 1.00 0.00 N ATOM 0 H ASN A 15 -5.554 -12.113 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.408 -12.593 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.975 -13.636 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.001 -12.075 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.554 -12.101 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.175 -11.491 -8.362 1.00 0.00 H new ATOM 281 N GLN A 16 -1.804 -10.620 -4.856 1.00 0.00 N ATOM 282 CA GLN A 16 -1.025 -9.387 -4.785 1.00 0.00 C ATOM 283 C GLN A 16 -1.163 -8.570 -6.061 1.00 0.00 C ATOM 284 O GLN A 16 -0.770 -7.406 -6.108 1.00 0.00 O ATOM 285 CB GLN A 16 0.451 -9.689 -4.492 1.00 0.00 C ATOM 286 CG GLN A 16 0.929 -11.060 -4.968 1.00 0.00 C ATOM 287 CD GLN A 16 0.935 -11.282 -6.484 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.226 -12.386 -6.940 1.00 0.00 O ATOM 289 NE2 GLN A 16 0.633 -10.257 -7.275 1.00 0.00 N ATOM 0 H GLN A 16 -1.261 -11.471 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.423 -8.792 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.065 -8.922 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.617 -9.615 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.940 -11.220 -4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.296 -11.821 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.395 -9.352 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.639 -10.376 -8.288 1.00 0.00 H new ATOM 298 N GLU A 17 -1.724 -9.186 -7.094 1.00 0.00 N ATOM 299 CA GLU A 17 -1.918 -8.517 -8.367 1.00 0.00 C ATOM 300 C GLU A 17 -2.876 -7.343 -8.200 1.00 0.00 C ATOM 301 O GLU A 17 -2.716 -6.297 -8.828 1.00 0.00 O ATOM 302 CB GLU A 17 -2.469 -9.502 -9.394 1.00 0.00 C ATOM 303 CG GLU A 17 -2.568 -8.914 -10.783 1.00 0.00 C ATOM 304 CD GLU A 17 -3.195 -9.867 -11.782 1.00 0.00 C ATOM 305 OE1 GLU A 17 -4.359 -10.267 -11.570 1.00 0.00 O ATOM 306 OE2 GLU A 17 -2.522 -10.213 -12.775 1.00 0.00 O ATOM 0 H GLU A 17 -2.053 -10.151 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.958 -8.140 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.829 -10.384 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.457 -9.836 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.157 -7.998 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.571 -8.638 -11.127 1.00 0.00 H new ATOM 313 N TYR A 18 -3.867 -7.532 -7.335 1.00 0.00 N ATOM 314 CA TYR A 18 -4.860 -6.502 -7.054 1.00 0.00 C ATOM 315 C TYR A 18 -4.244 -5.353 -6.298 1.00 0.00 C ATOM 316 O TYR A 18 -4.412 -4.186 -6.652 1.00 0.00 O ATOM 317 CB TYR A 18 -5.993 -7.079 -6.203 1.00 0.00 C ATOM 318 CG TYR A 18 -7.062 -6.073 -5.835 1.00 0.00 C ATOM 319 CD1 TYR A 18 -6.929 -5.269 -4.707 1.00 0.00 C ATOM 320 CD2 TYR A 18 -8.210 -5.934 -6.607 1.00 0.00 C ATOM 321 CE1 TYR A 18 -7.906 -4.357 -4.361 1.00 0.00 C ATOM 322 CE2 TYR A 18 -9.190 -5.025 -6.268 1.00 0.00 C ATOM 323 CZ TYR A 18 -9.035 -4.238 -5.144 1.00 0.00 C ATOM 324 OH TYR A 18 -10.013 -3.330 -4.804 1.00 0.00 O ATOM 0 H TYR A 18 -4.004 -8.397 -6.812 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.246 -6.147 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.456 -7.904 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.571 -7.495 -5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.046 -5.360 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -8.336 -6.548 -7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.787 -3.740 -3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -10.075 -4.929 -6.879 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.740 -3.371 -5.460 1.00 0.00 H new ATOM 334 N ALA A 19 -3.552 -5.700 -5.234 1.00 0.00 N ATOM 335 CA ALA A 19 -2.929 -4.715 -4.390 1.00 0.00 C ATOM 336 C ALA A 19 -1.847 -3.965 -5.150 1.00 0.00 C ATOM 337 O ALA A 19 -1.688 -2.755 -5.000 1.00 0.00 O ATOM 338 CB ALA A 19 -2.369 -5.386 -3.155 1.00 0.00 C ATOM 0 H ALA A 19 -3.409 -6.665 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.676 -3.985 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.898 -4.639 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.176 -5.873 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.629 -6.131 -3.449 1.00 0.00 H new ATOM 344 N ALA A 20 -1.121 -4.696 -5.983 1.00 0.00 N ATOM 345 CA ALA A 20 -0.064 -4.108 -6.794 1.00 0.00 C ATOM 346 C ALA A 20 -0.677 -3.261 -7.902 1.00 0.00 C ATOM 347 O ALA A 20 -0.014 -2.413 -8.497 1.00 0.00 O ATOM 348 CB ALA A 20 0.828 -5.195 -7.378 1.00 0.00 C ATOM 0 H ALA A 20 -1.245 -5.700 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 20 0.554 -3.468 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.612 -4.737 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.281 -5.768 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.231 -5.859 -8.003 1.00 0.00 H new ATOM 354 N ARG A 21 -1.958 -3.504 -8.159 1.00 0.00 N ATOM 355 CA ARG A 21 -2.697 -2.782 -9.174 1.00 0.00 C ATOM 356 C ARG A 21 -3.149 -1.423 -8.651 1.00 0.00 C ATOM 357 O ARG A 21 -3.058 -0.413 -9.348 1.00 0.00 O ATOM 358 CB ARG A 21 -3.909 -3.600 -9.599 1.00 0.00 C ATOM 359 CG ARG A 21 -4.756 -2.891 -10.626 1.00 0.00 C ATOM 360 CD ARG A 21 -5.767 -3.822 -11.278 1.00 0.00 C ATOM 361 NE ARG A 21 -6.658 -3.112 -12.193 1.00 0.00 N ATOM 362 CZ ARG A 21 -7.504 -2.158 -11.813 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.588 -1.808 -10.536 1.00 0.00 N ATOM 364 NH2 ARG A 21 -8.272 -1.556 -12.711 1.00 0.00 N ATOM 0 H ARG A 21 -2.508 -4.208 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.044 -2.620 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.574 -4.554 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.518 -3.823 -8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.281 -2.062 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.111 -2.463 -11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.239 -4.606 -11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.358 -4.313 -10.505 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.630 -3.363 -13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.002 -2.271 -9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.238 -1.076 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.214 -1.824 -13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.920 -0.825 -12.419 1.00 0.00 H new ATOM 378 N ALA A 22 -3.642 -1.412 -7.416 1.00 0.00 N ATOM 379 CA ALA A 22 -4.118 -0.189 -6.786 1.00 0.00 C ATOM 380 C ALA A 22 -2.959 0.629 -6.219 1.00 0.00 C ATOM 381 O ALA A 22 -2.813 1.811 -6.531 1.00 0.00 O ATOM 382 CB ALA A 22 -5.121 -0.528 -5.695 1.00 0.00 C ATOM 0 H ALA A 22 -3.722 -2.243 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.610 0.421 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.474 0.391 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.966 -1.061 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.643 -1.157 -4.944 1.00 0.00 H new ATOM 388 N LEU A 23 -2.140 -0.009 -5.386 1.00 0.00 N ATOM 389 CA LEU A 23 -0.989 0.654 -4.775 1.00 0.00 C ATOM 390 C LEU A 23 -0.125 1.351 -5.828 1.00 0.00 C ATOM 391 O LEU A 23 -0.247 1.081 -7.023 1.00 0.00 O ATOM 392 CB LEU A 23 -0.142 -0.357 -3.993 1.00 0.00 C ATOM 393 CG LEU A 23 -0.671 -0.709 -2.590 1.00 0.00 C ATOM 394 CD1 LEU A 23 0.080 -1.910 -2.000 1.00 0.00 C ATOM 395 CD2 LEU A 23 -0.535 0.495 -1.658 1.00 0.00 C ATOM 0 H LEU A 23 -2.252 -0.987 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.369 1.411 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.069 -1.274 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.869 0.039 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.724 -0.976 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.315 -2.135 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.052 -2.776 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.141 -1.673 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.912 0.234 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.514 0.780 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.110 1.331 -2.057 1.00 0.00 H new ATOM 407 N GLY A 24 0.748 2.247 -5.373 1.00 0.00 N ATOM 408 CA GLY A 24 1.620 2.970 -6.283 1.00 0.00 C ATOM 409 C GLY A 24 2.996 2.350 -6.379 1.00 0.00 C ATOM 410 O GLY A 24 3.844 2.806 -7.148 1.00 0.00 O ATOM 0 H GLY A 24 0.867 2.485 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.166 2.995 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.713 4.003 -5.949 1.00 0.00 H new ATOM 414 N LEU A 25 3.211 1.304 -5.598 1.00 0.00 N ATOM 415 CA LEU A 25 4.488 0.598 -5.585 1.00 0.00 C ATOM 416 C LEU A 25 4.430 -0.635 -6.485 1.00 0.00 C ATOM 417 O LEU A 25 3.348 -1.108 -6.830 1.00 0.00 O ATOM 418 CB LEU A 25 4.872 0.181 -4.154 1.00 0.00 C ATOM 419 CG LEU A 25 3.727 -0.384 -3.297 1.00 0.00 C ATOM 420 CD1 LEU A 25 4.288 -1.240 -2.165 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.855 0.738 -2.719 1.00 0.00 C ATOM 0 H LEU A 25 2.514 0.921 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 25 5.249 1.279 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.662 -0.568 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.291 1.047 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 25 3.102 -1.002 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.467 -1.634 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.861 -2.067 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.937 -0.631 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.055 0.305 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.466 1.389 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.423 1.319 -3.534 1.00 0.00 H new ATOM 433 N SER A 26 5.597 -1.155 -6.861 1.00 0.00 N ATOM 434 CA SER A 26 5.667 -2.335 -7.719 1.00 0.00 C ATOM 435 C SER A 26 5.229 -3.582 -6.957 1.00 0.00 C ATOM 436 O SER A 26 4.916 -3.515 -5.768 1.00 0.00 O ATOM 437 CB SER A 26 7.091 -2.521 -8.245 1.00 0.00 C ATOM 438 OG SER A 26 7.149 -3.557 -9.209 1.00 0.00 O ATOM 0 H SER A 26 6.504 -0.779 -6.586 1.00 0.00 H new ATOM 0 HA SER A 26 4.991 -2.186 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.443 -1.589 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.760 -2.753 -7.417 1.00 0.00 H new ATOM 0 HG SER A 26 8.070 -3.654 -9.530 1.00 0.00 H new ATOM 444 N GLN A 27 5.212 -4.720 -7.645 1.00 0.00 N ATOM 445 CA GLN A 27 4.815 -5.981 -7.027 1.00 0.00 C ATOM 446 C GLN A 27 5.910 -6.472 -6.085 1.00 0.00 C ATOM 447 O GLN A 27 5.625 -7.027 -5.026 1.00 0.00 O ATOM 448 CB GLN A 27 4.521 -7.029 -8.101 1.00 0.00 C ATOM 449 CG GLN A 27 3.623 -8.158 -7.624 1.00 0.00 C ATOM 450 CD GLN A 27 4.245 -8.973 -6.511 1.00 0.00 C ATOM 451 OE1 GLN A 27 5.280 -9.613 -6.696 1.00 0.00 O ATOM 452 NE2 GLN A 27 3.617 -8.947 -5.342 1.00 0.00 N ATOM 0 H GLN A 27 5.468 -4.795 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 27 3.906 -5.818 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.052 -6.540 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.463 -7.450 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.677 -7.742 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.395 -8.814 -8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.761 -8.402 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.990 -9.472 -4.551 1.00 0.00 H new ATOM 461 N LYS A 28 7.165 -6.244 -6.463 1.00 0.00 N ATOM 462 CA LYS A 28 8.288 -6.648 -5.625 1.00 0.00 C ATOM 463 C LYS A 28 8.322 -5.770 -4.385 1.00 0.00 C ATOM 464 O LYS A 28 8.560 -6.245 -3.283 1.00 0.00 O ATOM 465 CB LYS A 28 9.612 -6.532 -6.384 1.00 0.00 C ATOM 466 CG LYS A 28 9.598 -7.166 -7.768 1.00 0.00 C ATOM 467 CD LYS A 28 9.495 -8.683 -7.708 1.00 0.00 C ATOM 468 CE LYS A 28 9.617 -9.299 -9.091 1.00 0.00 C ATOM 469 NZ LYS A 28 9.516 -10.784 -9.050 1.00 0.00 N ATOM 0 H LYS A 28 7.428 -5.786 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 28 8.156 -7.692 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.870 -5.477 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.399 -6.998 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.758 -6.769 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.506 -6.887 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.279 -9.078 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.541 -8.968 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.834 -8.900 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.571 -9.012 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.604 -11.165 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.278 -11.167 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.595 -11.058 -8.652 1.00 0.00 H new ATOM 483 N LEU A 29 8.042 -4.487 -4.552 1.00 0.00 N ATOM 484 CA LEU A 29 8.008 -3.598 -3.405 1.00 0.00 C ATOM 485 C LEU A 29 6.998 -4.149 -2.419 1.00 0.00 C ATOM 486 O LEU A 29 7.159 -4.036 -1.208 1.00 0.00 O ATOM 487 CB LEU A 29 7.618 -2.172 -3.811 1.00 0.00 C ATOM 488 CG LEU A 29 8.712 -1.327 -4.483 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.807 -0.957 -3.484 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.309 -2.062 -5.679 1.00 0.00 C ATOM 0 H LEU A 29 7.839 -4.047 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 29 9.001 -3.547 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.767 -2.231 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.278 -1.644 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 29 8.250 -0.407 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.569 -0.359 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.374 -0.382 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.261 -1.866 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.081 -1.444 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.748 -3.003 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.526 -2.266 -6.409 1.00 0.00 H new ATOM 502 N ILE A 30 5.964 -4.772 -2.969 1.00 0.00 N ATOM 503 CA ILE A 30 4.922 -5.378 -2.188 1.00 0.00 C ATOM 504 C ILE A 30 5.427 -6.594 -1.441 1.00 0.00 C ATOM 505 O ILE A 30 5.325 -6.660 -0.221 1.00 0.00 O ATOM 506 CB ILE A 30 3.756 -5.795 -3.094 1.00 0.00 C ATOM 507 CG1 ILE A 30 2.925 -4.570 -3.502 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.930 -6.868 -2.415 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.542 -4.911 -3.993 1.00 0.00 C ATOM 0 H ILE A 30 5.834 -4.865 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 30 4.583 -4.638 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 30 4.146 -6.226 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.842 -3.898 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.455 -4.027 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.105 -7.158 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.557 -7.737 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.534 -6.482 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.016 -3.995 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.615 -5.558 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.993 -5.427 -3.205 1.00 0.00 H new ATOM 521 N GLU A 31 5.972 -7.554 -2.176 1.00 0.00 N ATOM 522 CA GLU A 31 6.495 -8.763 -1.566 1.00 0.00 C ATOM 523 C GLU A 31 7.361 -8.386 -0.381 1.00 0.00 C ATOM 524 O GLU A 31 7.436 -9.099 0.617 1.00 0.00 O ATOM 525 CB GLU A 31 7.300 -9.554 -2.581 1.00 0.00 C ATOM 526 CG GLU A 31 8.490 -8.819 -3.081 1.00 0.00 C ATOM 527 CD GLU A 31 9.434 -9.686 -3.890 1.00 0.00 C ATOM 528 OE1 GLU A 31 8.999 -10.230 -4.927 1.00 0.00 O ATOM 529 OE2 GLU A 31 10.609 -9.821 -3.488 1.00 0.00 O ATOM 0 H GLU A 31 6.062 -7.517 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 31 5.669 -9.387 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.623 -10.492 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.659 -9.811 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.159 -7.982 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.031 -8.398 -2.234 1.00 0.00 H new ATOM 536 N GLU A 32 7.988 -7.231 -0.515 1.00 0.00 N ATOM 537 CA GLU A 32 8.849 -6.680 0.529 1.00 0.00 C ATOM 538 C GLU A 32 8.019 -6.238 1.732 1.00 0.00 C ATOM 539 O GLU A 32 8.185 -6.746 2.840 1.00 0.00 O ATOM 540 CB GLU A 32 9.640 -5.471 0.010 1.00 0.00 C ATOM 541 CG GLU A 32 10.513 -5.761 -1.196 1.00 0.00 C ATOM 542 CD GLU A 32 11.486 -4.637 -1.496 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.478 -3.629 -0.757 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.257 -4.764 -2.470 1.00 0.00 O ATOM 0 H GLU A 32 7.918 -6.646 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 32 9.543 -7.466 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.939 -4.677 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.269 -5.092 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.070 -6.682 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.879 -5.930 -2.067 1.00 0.00 H new ATOM 551 N VAL A 33 7.135 -5.274 1.498 1.00 0.00 N ATOM 552 CA VAL A 33 6.280 -4.732 2.548 1.00 0.00 C ATOM 553 C VAL A 33 5.349 -5.798 3.119 1.00 0.00 C ATOM 554 O VAL A 33 4.817 -5.649 4.219 1.00 0.00 O ATOM 555 CB VAL A 33 5.420 -3.569 2.013 1.00 0.00 C ATOM 556 CG1 VAL A 33 4.830 -2.766 3.162 1.00 0.00 C ATOM 557 CG2 VAL A 33 6.230 -2.681 1.080 1.00 0.00 C ATOM 0 H VAL A 33 6.991 -4.849 0.582 1.00 0.00 H new ATOM 0 HA VAL A 33 6.942 -4.372 3.336 1.00 0.00 H new ATOM 0 HB VAL A 33 4.595 -3.989 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.227 -1.950 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.204 -3.414 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.636 -2.357 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.602 -1.868 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.082 -2.268 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.587 -3.270 0.235 1.00 0.00 H new ATOM 567 N LEU A 34 5.148 -6.867 2.356 1.00 0.00 N ATOM 568 CA LEU A 34 4.278 -7.948 2.764 1.00 0.00 C ATOM 569 C LEU A 34 5.037 -9.010 3.559 1.00 0.00 C ATOM 570 O LEU A 34 4.494 -9.599 4.494 1.00 0.00 O ATOM 571 CB LEU A 34 3.616 -8.556 1.525 1.00 0.00 C ATOM 572 CG LEU A 34 2.956 -9.899 1.747 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.865 -9.777 2.796 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.403 -10.444 0.441 1.00 0.00 C ATOM 0 H LEU A 34 5.584 -7.002 1.444 1.00 0.00 H new ATOM 0 HA LEU A 34 3.508 -7.549 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.867 -7.857 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.369 -8.663 0.744 1.00 0.00 H new ATOM 0 HG LEU A 34 3.703 -10.604 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.396 -10.749 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.299 -9.433 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.115 -9.061 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.932 -11.411 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.665 -9.749 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.215 -10.564 -0.276 1.00 0.00 H new ATOM 586 N LYS A 35 6.294 -9.247 3.194 1.00 0.00 N ATOM 587 CA LYS A 35 7.115 -10.231 3.886 1.00 0.00 C ATOM 588 C LYS A 35 7.590 -9.678 5.228 1.00 0.00 C ATOM 589 O LYS A 35 7.456 -10.328 6.265 1.00 0.00 O ATOM 590 CB LYS A 35 8.313 -10.622 3.020 1.00 0.00 C ATOM 591 CG LYS A 35 9.361 -9.526 2.910 1.00 0.00 C ATOM 592 CD LYS A 35 10.511 -9.912 1.994 1.00 0.00 C ATOM 593 CE LYS A 35 11.615 -8.867 2.029 1.00 0.00 C ATOM 594 NZ LYS A 35 12.313 -8.844 3.343 1.00 0.00 N ATOM 0 H LYS A 35 6.764 -8.771 2.424 1.00 0.00 H new ATOM 0 HA LYS A 35 6.512 -11.120 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.776 -11.517 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.961 -10.880 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.892 -8.616 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.751 -9.299 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.912 -10.879 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.145 -10.024 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.336 -9.073 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.191 -7.884 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.526 -7.861 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.702 -9.272 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.200 -9.383 3.275 1.00 0.00 H new ATOM 608 N ARG A 36 8.148 -8.472 5.192 1.00 0.00 N ATOM 609 CA ARG A 36 8.653 -7.812 6.385 1.00 0.00 C ATOM 610 C ARG A 36 7.520 -7.411 7.321 1.00 0.00 C ATOM 611 O ARG A 36 7.614 -7.584 8.537 1.00 0.00 O ATOM 612 CB ARG A 36 9.465 -6.586 5.976 1.00 0.00 C ATOM 613 CG ARG A 36 10.684 -6.948 5.164 1.00 0.00 C ATOM 614 CD ARG A 36 10.925 -5.976 4.019 1.00 0.00 C ATOM 615 NE ARG A 36 11.112 -4.606 4.487 1.00 0.00 N ATOM 616 CZ ARG A 36 11.409 -3.588 3.683 1.00 0.00 C ATOM 617 NH1 ARG A 36 11.534 -3.785 2.377 1.00 0.00 N ATOM 618 NH2 ARG A 36 11.580 -2.373 4.184 1.00 0.00 N ATOM 0 H ARG A 36 8.261 -7.928 4.336 1.00 0.00 H new ATOM 0 HA ARG A 36 9.291 -8.511 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.833 -5.912 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.775 -6.044 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.559 -6.964 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.565 -7.955 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.805 -6.290 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.080 -6.011 3.331 1.00 0.00 H new ATOM 0 HE ARG A 36 11.009 -4.419 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.402 -4.718 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.762 -3.003 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.484 -2.217 5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.808 -1.594 3.566 1.00 0.00 H new ATOM 632 N GLY A 37 6.452 -6.873 6.746 1.00 0.00 N ATOM 633 CA GLY A 37 5.313 -6.451 7.540 1.00 0.00 C ATOM 634 C GLY A 37 5.425 -5.005 7.974 1.00 0.00 C ATOM 635 O GLY A 37 5.438 -4.704 9.168 1.00 0.00 O ATOM 0 H GLY A 37 6.354 -6.721 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.399 -6.586 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.230 -7.088 8.421 1.00 0.00 H new ATOM 639 N LEU A 38 5.516 -4.109 6.998 1.00 0.00 N ATOM 640 CA LEU A 38 5.639 -2.684 7.272 1.00 0.00 C ATOM 641 C LEU A 38 4.262 -2.017 7.278 1.00 0.00 C ATOM 642 O LEU A 38 3.343 -2.483 6.602 1.00 0.00 O ATOM 643 CB LEU A 38 6.535 -2.040 6.204 1.00 0.00 C ATOM 644 CG LEU A 38 7.913 -2.692 6.005 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.633 -2.009 4.863 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.769 -2.646 7.269 1.00 0.00 C ATOM 0 H LEU A 38 5.507 -4.347 6.006 1.00 0.00 H new ATOM 0 HA LEU A 38 6.087 -2.546 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.004 -2.059 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.684 -0.992 6.465 1.00 0.00 H new ATOM 0 HG LEU A 38 7.750 -3.744 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.610 -2.471 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.047 -2.112 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.761 -0.952 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.731 -3.119 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.928 -1.609 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.259 -3.177 8.073 1.00 0.00 H new ATOM 658 N PRO A 39 4.089 -0.916 8.039 1.00 0.00 N ATOM 659 CA PRO A 39 2.805 -0.209 8.109 1.00 0.00 C ATOM 660 C PRO A 39 2.463 0.485 6.795 1.00 0.00 C ATOM 661 O PRO A 39 3.279 1.224 6.246 1.00 0.00 O ATOM 662 CB PRO A 39 3.017 0.819 9.223 1.00 0.00 C ATOM 663 CG PRO A 39 4.488 1.042 9.262 1.00 0.00 C ATOM 664 CD PRO A 39 5.120 -0.275 8.885 1.00 0.00 C ATOM 0 HA PRO A 39 1.974 -0.888 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.482 1.745 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.648 0.448 10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.782 1.829 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.808 1.358 10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.054 -0.132 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.351 -0.877 9.764 1.00 0.00 H new ATOM 672 N VAL A 40 1.259 0.234 6.288 1.00 0.00 N ATOM 673 CA VAL A 40 0.828 0.832 5.029 1.00 0.00 C ATOM 674 C VAL A 40 -0.525 1.547 5.174 1.00 0.00 C ATOM 675 O VAL A 40 -1.451 1.010 5.792 1.00 0.00 O ATOM 676 CB VAL A 40 0.712 -0.237 3.925 1.00 0.00 C ATOM 677 CG1 VAL A 40 0.157 0.367 2.645 1.00 0.00 C ATOM 678 CG2 VAL A 40 2.068 -0.892 3.669 1.00 0.00 C ATOM 0 H VAL A 40 0.569 -0.376 6.727 1.00 0.00 H new ATOM 0 HA VAL A 40 1.586 1.565 4.752 1.00 0.00 H new ATOM 0 HB VAL A 40 0.018 -1.006 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.084 -0.406 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.832 0.782 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.821 1.159 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.967 -1.644 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.784 -0.134 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.422 -1.366 4.585 1.00 0.00 H new ATOM 688 N TYR A 41 -0.646 2.750 4.589 1.00 0.00 N ATOM 689 CA TYR A 41 -1.893 3.508 4.649 1.00 0.00 C ATOM 690 C TYR A 41 -2.341 3.897 3.249 1.00 0.00 C ATOM 691 O TYR A 41 -1.847 4.869 2.681 1.00 0.00 O ATOM 692 CB TYR A 41 -1.737 4.776 5.502 1.00 0.00 C ATOM 693 CG TYR A 41 -1.560 4.529 6.990 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.586 3.655 7.459 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.359 5.180 7.932 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.415 3.434 8.811 1.00 0.00 C ATOM 697 CE2 TYR A 41 -2.189 4.963 9.283 1.00 0.00 C ATOM 698 CZ TYR A 41 -1.217 4.089 9.718 1.00 0.00 C ATOM 699 OH TYR A 41 -1.047 3.872 11.066 1.00 0.00 O ATOM 0 H TYR A 41 0.104 3.211 4.073 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.645 2.868 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.877 5.338 5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.615 5.405 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.048 3.140 6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.123 5.865 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.346 2.749 9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.815 5.476 9.997 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.692 4.412 11.568 1.00 0.00 H new ATOM 709 N VAL A 42 -3.282 3.145 2.692 1.00 0.00 N ATOM 710 CA VAL A 42 -3.780 3.446 1.356 1.00 0.00 C ATOM 711 C VAL A 42 -5.046 4.303 1.436 1.00 0.00 C ATOM 712 O VAL A 42 -6.087 3.857 1.911 1.00 0.00 O ATOM 713 CB VAL A 42 -4.049 2.164 0.506 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.811 1.275 0.431 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.231 1.366 1.048 1.00 0.00 C ATOM 0 H VAL A 42 -3.711 2.333 3.137 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.994 4.005 0.848 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.296 2.501 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.033 0.392 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.993 1.829 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.522 0.968 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.387 0.482 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.024 1.060 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.128 1.985 1.028 1.00 0.00 H new ATOM 725 N GLU A 43 -4.936 5.548 0.980 1.00 0.00 N ATOM 726 CA GLU A 43 -6.066 6.488 1.005 1.00 0.00 C ATOM 727 C GLU A 43 -6.531 6.845 -0.411 1.00 0.00 C ATOM 728 O GLU A 43 -5.975 7.743 -1.044 1.00 0.00 O ATOM 729 CB GLU A 43 -5.654 7.755 1.753 1.00 0.00 C ATOM 730 CG GLU A 43 -6.665 8.888 1.669 1.00 0.00 C ATOM 731 CD GLU A 43 -7.992 8.551 2.324 1.00 0.00 C ATOM 732 OE1 GLU A 43 -8.117 7.442 2.886 1.00 0.00 O ATOM 733 OE2 GLU A 43 -8.907 9.400 2.279 1.00 0.00 O ATOM 0 H GLU A 43 -4.078 5.935 0.587 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.900 6.008 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.490 7.507 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.701 8.104 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.247 9.776 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.836 9.137 0.622 1.00 0.00 H new ATOM 740 N THR A 44 -7.532 6.118 -0.918 1.00 0.00 N ATOM 741 CA THR A 44 -8.036 6.348 -2.273 1.00 0.00 C ATOM 742 C THR A 44 -8.771 7.680 -2.367 1.00 0.00 C ATOM 743 O THR A 44 -9.353 8.149 -1.389 1.00 0.00 O ATOM 744 CB THR A 44 -8.959 5.206 -2.707 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.768 4.067 -1.887 1.00 0.00 O ATOM 746 CG2 THR A 44 -8.733 4.770 -4.143 1.00 0.00 C ATOM 0 H THR A 44 -8.006 5.370 -0.413 1.00 0.00 H new ATOM 0 HA THR A 44 -7.178 6.382 -2.945 1.00 0.00 H new ATOM 0 HB THR A 44 -9.971 5.600 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.368 3.349 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.418 3.958 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.913 5.612 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.705 4.426 -4.261 1.00 0.00 H new ATOM 754 N ASN A 45 -8.740 8.287 -3.552 1.00 0.00 N ATOM 755 CA ASN A 45 -9.403 9.567 -3.772 1.00 0.00 C ATOM 756 C ASN A 45 -10.574 9.416 -4.739 1.00 0.00 C ATOM 757 O ASN A 45 -11.725 9.287 -4.321 1.00 0.00 O ATOM 758 CB ASN A 45 -8.406 10.592 -4.317 1.00 0.00 C ATOM 759 CG ASN A 45 -7.215 10.785 -3.400 1.00 0.00 C ATOM 760 OD1 ASN A 45 -7.359 11.205 -2.252 1.00 0.00 O ATOM 761 ND2 ASN A 45 -6.027 10.474 -3.906 1.00 0.00 N ATOM 0 H ASN A 45 -8.263 7.912 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.790 9.917 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.057 10.269 -5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.912 11.547 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.187 10.580 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.955 10.129 -4.863 1.00 0.00 H new ATOM 768 N LYS A 46 -10.269 9.433 -6.033 1.00 0.00 N ATOM 769 CA LYS A 46 -11.293 9.300 -7.063 1.00 0.00 C ATOM 770 C LYS A 46 -10.711 8.653 -8.318 1.00 0.00 C ATOM 771 O LYS A 46 -9.496 8.662 -8.517 1.00 0.00 O ATOM 772 CB LYS A 46 -11.885 10.672 -7.402 1.00 0.00 C ATOM 773 CG LYS A 46 -13.020 10.623 -8.413 1.00 0.00 C ATOM 774 CD LYS A 46 -14.198 9.814 -7.894 1.00 0.00 C ATOM 775 CE LYS A 46 -15.334 9.772 -8.903 1.00 0.00 C ATOM 776 NZ LYS A 46 -15.847 11.133 -9.221 1.00 0.00 N ATOM 0 H LYS A 46 -9.320 9.538 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.087 8.659 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.249 11.136 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.093 11.312 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.347 11.637 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.660 10.186 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.872 8.798 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.555 10.248 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.988 9.292 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.146 9.161 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.758 11.054 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.978 11.669 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.164 11.628 -9.829 1.00 0.00 H new ATOM 790 N ASP A 47 -11.587 8.090 -9.153 1.00 0.00 N ATOM 791 CA ASP A 47 -11.175 7.428 -10.395 1.00 0.00 C ATOM 792 C ASP A 47 -10.548 6.064 -10.111 1.00 0.00 C ATOM 793 O ASP A 47 -10.703 5.127 -10.893 1.00 0.00 O ATOM 794 CB ASP A 47 -10.194 8.308 -11.180 1.00 0.00 C ATOM 795 CG ASP A 47 -9.790 7.696 -12.508 1.00 0.00 C ATOM 796 OD1 ASP A 47 -9.177 6.608 -12.500 1.00 0.00 O ATOM 797 OD2 ASP A 47 -10.087 8.306 -13.556 1.00 0.00 O ATOM 0 H ASP A 47 -12.594 8.079 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.068 7.274 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.649 9.283 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.302 8.478 -10.577 1.00 0.00 H new ATOM 802 N GLY A 48 -9.845 5.957 -8.986 1.00 0.00 N ATOM 803 CA GLY A 48 -9.215 4.702 -8.622 1.00 0.00 C ATOM 804 C GLY A 48 -7.780 4.879 -8.171 1.00 0.00 C ATOM 805 O GLY A 48 -7.105 3.903 -7.837 1.00 0.00 O ATOM 0 H GLY A 48 -9.701 6.717 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.787 4.231 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.243 4.025 -9.476 1.00 0.00 H new ATOM 809 N ASN A 49 -7.314 6.123 -8.145 1.00 0.00 N ATOM 810 CA ASN A 49 -5.959 6.419 -7.715 1.00 0.00 C ATOM 811 C ASN A 49 -5.915 6.482 -6.199 1.00 0.00 C ATOM 812 O ASN A 49 -6.932 6.746 -5.559 1.00 0.00 O ATOM 813 CB ASN A 49 -5.501 7.751 -8.309 1.00 0.00 C ATOM 814 CG ASN A 49 -4.131 8.163 -7.808 1.00 0.00 C ATOM 815 OD1 ASN A 49 -3.134 7.496 -8.080 1.00 0.00 O ATOM 816 ND2 ASN A 49 -4.075 9.261 -7.063 1.00 0.00 N ATOM 0 H ASN A 49 -7.858 6.941 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.289 5.633 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.480 7.673 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.225 8.526 -8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.180 9.581 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.927 9.785 -6.862 1.00 0.00 H new ATOM 823 N ILE A 50 -4.752 6.226 -5.616 1.00 0.00 N ATOM 824 CA ILE A 50 -4.630 6.247 -4.191 1.00 0.00 C ATOM 825 C ILE A 50 -3.192 6.462 -3.735 1.00 0.00 C ATOM 826 O ILE A 50 -2.244 6.226 -4.482 1.00 0.00 O ATOM 827 CB ILE A 50 -5.174 4.941 -3.597 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.040 4.954 -2.100 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.431 3.746 -4.148 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.874 3.899 -1.408 1.00 0.00 C ATOM 0 H ILE A 50 -3.892 6.004 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.217 7.091 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.226 4.863 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.993 4.808 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.329 5.936 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.836 2.833 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.548 3.713 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.373 3.829 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.727 3.968 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.927 4.057 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.570 2.911 -1.753 1.00 0.00 H new ATOM 842 N LYS A 51 -3.051 6.900 -2.488 1.00 0.00 N ATOM 843 CA LYS A 51 -1.750 7.141 -1.896 1.00 0.00 C ATOM 844 C LYS A 51 -1.407 6.006 -0.940 1.00 0.00 C ATOM 845 O LYS A 51 -2.293 5.273 -0.503 1.00 0.00 O ATOM 846 CB LYS A 51 -1.762 8.472 -1.142 1.00 0.00 C ATOM 847 CG LYS A 51 -2.003 9.674 -2.042 1.00 0.00 C ATOM 848 CD LYS A 51 -2.283 10.931 -1.230 1.00 0.00 C ATOM 849 CE LYS A 51 -2.393 12.157 -2.134 1.00 0.00 C ATOM 850 NZ LYS A 51 -3.543 12.050 -3.073 1.00 0.00 N ATOM 0 H LYS A 51 -3.835 7.096 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.998 7.187 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.537 8.440 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.810 8.598 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.131 9.836 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.845 9.472 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.208 10.806 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.486 11.082 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.506 13.051 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.470 12.274 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.584 12.901 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.423 11.210 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.427 11.964 -2.531 1.00 0.00 H new ATOM 864 N VAL A 52 -0.130 5.853 -0.616 1.00 0.00 N ATOM 865 CA VAL A 52 0.292 4.796 0.286 1.00 0.00 C ATOM 866 C VAL A 52 1.062 5.375 1.462 1.00 0.00 C ATOM 867 O VAL A 52 2.265 5.152 1.586 1.00 0.00 O ATOM 868 CB VAL A 52 1.188 3.777 -0.436 1.00 0.00 C ATOM 869 CG1 VAL A 52 1.248 2.470 0.338 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.714 3.557 -1.864 1.00 0.00 C ATOM 0 H VAL A 52 0.625 6.444 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.607 4.294 0.643 1.00 0.00 H new ATOM 0 HB VAL A 52 2.199 4.181 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.887 1.763 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.655 2.654 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.244 2.054 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.363 2.832 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.309 3.180 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.747 4.501 -2.408 1.00 0.00 H new ATOM 880 N TYR A 53 0.371 6.127 2.318 1.00 0.00 N ATOM 881 CA TYR A 53 1.018 6.741 3.479 1.00 0.00 C ATOM 882 C TYR A 53 1.698 5.695 4.360 1.00 0.00 C ATOM 883 O TYR A 53 1.144 5.259 5.368 1.00 0.00 O ATOM 884 CB TYR A 53 0.022 7.554 4.309 1.00 0.00 C ATOM 885 CG TYR A 53 -0.493 8.790 3.603 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.228 9.980 3.632 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.693 8.770 2.904 1.00 0.00 C ATOM 888 CE1 TYR A 53 -0.234 11.110 2.987 1.00 0.00 C ATOM 889 CE2 TYR A 53 -2.161 9.896 2.256 1.00 0.00 C ATOM 890 CZ TYR A 53 -1.428 11.064 2.300 1.00 0.00 C ATOM 891 OH TYR A 53 -1.892 12.187 1.656 1.00 0.00 O ATOM 0 H TYR A 53 -0.626 6.325 2.232 1.00 0.00 H new ATOM 0 HA TYR A 53 1.782 7.417 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.823 6.918 4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.499 7.852 5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.165 10.020 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.270 7.858 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.338 12.026 3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.096 9.863 1.717 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.451 12.709 2.269 1.00 0.00 H new ATOM 901 N ILE A 54 2.910 5.307 3.976 1.00 0.00 N ATOM 902 CA ILE A 54 3.676 4.326 4.729 1.00 0.00 C ATOM 903 C ILE A 54 4.589 5.029 5.735 1.00 0.00 C ATOM 904 O ILE A 54 5.144 6.088 5.437 1.00 0.00 O ATOM 905 CB ILE A 54 4.524 3.441 3.791 1.00 0.00 C ATOM 906 CG1 ILE A 54 3.612 2.605 2.888 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.460 2.544 4.592 1.00 0.00 C ATOM 908 CD1 ILE A 54 4.371 1.717 1.901 1.00 0.00 C ATOM 0 H ILE A 54 3.382 5.660 3.144 1.00 0.00 H new ATOM 0 HA ILE A 54 2.971 3.688 5.261 1.00 0.00 H new ATOM 0 HB ILE A 54 5.136 4.088 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.974 1.978 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.955 3.273 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.047 1.930 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.129 3.160 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.874 1.900 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.660 1.155 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.988 2.339 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.007 1.023 2.451 1.00 0.00 H new ATOM 920 N THR A 55 4.736 4.450 6.926 1.00 0.00 N ATOM 921 CA THR A 55 5.575 5.042 7.958 1.00 0.00 C ATOM 922 C THR A 55 6.966 4.406 7.967 1.00 0.00 C ATOM 923 O THR A 55 7.240 3.506 8.762 1.00 0.00 O ATOM 924 CB THR A 55 4.917 4.879 9.330 1.00 0.00 C ATOM 925 OG1 THR A 55 3.643 5.496 9.349 1.00 0.00 O ATOM 926 CG2 THR A 55 5.730 5.470 10.463 1.00 0.00 C ATOM 0 H THR A 55 4.286 3.575 7.196 1.00 0.00 H new ATOM 0 HA THR A 55 5.686 6.104 7.737 1.00 0.00 H new ATOM 0 HB THR A 55 4.840 3.803 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.237 5.380 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.204 5.319 11.406 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.703 4.980 10.507 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.869 6.538 10.293 1.00 0.00 H new ATOM 934 N GLN A 56 7.842 4.878 7.082 1.00 0.00 N ATOM 935 CA GLN A 56 9.199 4.351 7.001 1.00 0.00 C ATOM 936 C GLN A 56 10.222 5.464 7.208 1.00 0.00 C ATOM 937 O GLN A 56 9.978 6.616 6.849 1.00 0.00 O ATOM 938 CB GLN A 56 9.436 3.659 5.652 1.00 0.00 C ATOM 939 CG GLN A 56 9.528 4.601 4.457 1.00 0.00 C ATOM 940 CD GLN A 56 8.273 5.425 4.239 1.00 0.00 C ATOM 941 OE1 GLN A 56 8.019 6.394 4.951 1.00 0.00 O ATOM 942 NE2 GLN A 56 7.476 5.036 3.251 1.00 0.00 N ATOM 0 H GLN A 56 7.636 5.621 6.414 1.00 0.00 H new ATOM 0 HA GLN A 56 9.321 3.613 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.358 3.081 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.627 2.950 5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.374 5.273 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.731 4.017 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.725 4.226 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.615 5.548 3.059 1.00 0.00 H new ATOM 951 N ASP A 57 11.363 5.108 7.796 1.00 0.00 N ATOM 952 CA ASP A 57 12.435 6.066 8.064 1.00 0.00 C ATOM 953 C ASP A 57 12.045 7.039 9.177 1.00 0.00 C ATOM 954 O ASP A 57 12.870 7.829 9.638 1.00 0.00 O ATOM 955 CB ASP A 57 12.798 6.840 6.791 1.00 0.00 C ATOM 956 CG ASP A 57 13.948 7.803 7.005 1.00 0.00 C ATOM 957 OD1 ASP A 57 15.047 7.342 7.377 1.00 0.00 O ATOM 958 OD2 ASP A 57 13.750 9.019 6.799 1.00 0.00 O ATOM 0 H ASP A 57 11.570 4.156 8.098 1.00 0.00 H new ATOM 0 HA ASP A 57 13.307 5.502 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.061 6.134 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.925 7.393 6.445 1.00 0.00 H new ATOM 963 N GLY A 58 10.789 6.974 9.612 1.00 0.00 N ATOM 964 CA GLY A 58 10.327 7.855 10.673 1.00 0.00 C ATOM 965 C GLY A 58 9.250 8.819 10.211 1.00 0.00 C ATOM 966 O GLY A 58 8.541 9.405 11.028 1.00 0.00 O ATOM 0 H GLY A 58 10.085 6.330 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.941 7.253 11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.173 8.422 11.062 1.00 0.00 H new ATOM 970 N ILE A 59 9.128 8.986 8.897 1.00 0.00 N ATOM 971 CA ILE A 59 8.132 9.888 8.329 1.00 0.00 C ATOM 972 C ILE A 59 7.184 9.134 7.401 1.00 0.00 C ATOM 973 O ILE A 59 7.537 8.087 6.858 1.00 0.00 O ATOM 974 CB ILE A 59 8.803 11.040 7.548 1.00 0.00 C ATOM 975 CG1 ILE A 59 9.652 11.896 8.494 1.00 0.00 C ATOM 976 CG2 ILE A 59 7.761 11.899 6.833 1.00 0.00 C ATOM 977 CD1 ILE A 59 10.409 13.007 7.799 1.00 0.00 C ATOM 0 H ILE A 59 9.707 8.508 8.206 1.00 0.00 H new ATOM 0 HA ILE A 59 7.564 10.308 9.159 1.00 0.00 H new ATOM 0 HB ILE A 59 9.454 10.605 6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.004 12.331 9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.364 11.252 9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.261 12.702 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.201 11.282 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.077 12.327 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.986 13.569 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.083 12.579 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.703 13.675 7.305 1.00 0.00 H new ATOM 989 N THR A 60 5.982 9.673 7.217 1.00 0.00 N ATOM 990 CA THR A 60 4.993 9.049 6.350 1.00 0.00 C ATOM 991 C THR A 60 5.040 9.658 4.950 1.00 0.00 C ATOM 992 O THR A 60 5.542 10.767 4.763 1.00 0.00 O ATOM 993 CB THR A 60 3.592 9.205 6.941 1.00 0.00 C ATOM 994 OG1 THR A 60 2.629 8.567 6.121 1.00 0.00 O ATOM 995 CG2 THR A 60 3.173 10.648 7.103 1.00 0.00 C ATOM 0 H THR A 60 5.672 10.539 7.657 1.00 0.00 H new ATOM 0 HA THR A 60 5.229 7.987 6.275 1.00 0.00 H new ATOM 0 HB THR A 60 3.638 8.743 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.172 7.869 6.635 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.170 10.690 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.870 11.157 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.177 11.139 6.130 1.00 0.00 H new ATOM 1003 N GLN A 61 4.515 8.927 3.973 1.00 0.00 N ATOM 1004 CA GLN A 61 4.495 9.389 2.587 1.00 0.00 C ATOM 1005 C GLN A 61 3.641 8.459 1.731 1.00 0.00 C ATOM 1006 O GLN A 61 3.479 7.289 2.066 1.00 0.00 O ATOM 1007 CB GLN A 61 5.920 9.451 2.034 1.00 0.00 C ATOM 1008 CG GLN A 61 6.676 8.140 2.170 1.00 0.00 C ATOM 1009 CD GLN A 61 8.074 8.205 1.589 1.00 0.00 C ATOM 1010 OE1 GLN A 61 8.255 8.493 0.406 1.00 0.00 O ATOM 1011 NE2 GLN A 61 9.072 7.931 2.421 1.00 0.00 N ATOM 0 H GLN A 61 4.096 8.008 4.115 1.00 0.00 H new ATOM 0 HA GLN A 61 4.060 10.388 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.882 9.733 0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.470 10.235 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.738 7.869 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.116 7.350 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.875 7.697 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.035 7.954 2.087 1.00 0.00 H new ATOM 1020 N PRO A 62 3.088 8.955 0.608 1.00 0.00 N ATOM 1021 CA PRO A 62 2.253 8.144 -0.291 1.00 0.00 C ATOM 1022 C PRO A 62 3.094 7.271 -1.196 1.00 0.00 C ATOM 1023 O PRO A 62 2.955 7.340 -2.417 1.00 0.00 O ATOM 1024 CB PRO A 62 1.563 9.214 -1.127 1.00 0.00 C ATOM 1025 CG PRO A 62 2.653 10.200 -1.299 1.00 0.00 C ATOM 1026 CD PRO A 62 3.228 10.339 0.093 1.00 0.00 C ATOM 0 HA PRO A 62 1.584 7.469 0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.208 8.824 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.700 9.641 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.402 9.850 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.277 11.152 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.267 10.668 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.675 11.059 0.696 1.00 0.00 H new ATOM 1034 N PHE A 63 3.971 6.474 -0.583 1.00 0.00 N ATOM 1035 CA PHE A 63 4.878 5.588 -1.322 1.00 0.00 C ATOM 1036 C PHE A 63 4.683 5.794 -2.824 1.00 0.00 C ATOM 1037 O PHE A 63 3.898 5.084 -3.455 1.00 0.00 O ATOM 1038 CB PHE A 63 4.635 4.123 -0.944 1.00 0.00 C ATOM 1039 CG PHE A 63 5.889 3.285 -0.950 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.974 3.627 -0.148 1.00 0.00 C ATOM 1041 CD2 PHE A 63 5.993 2.159 -1.754 1.00 0.00 C ATOM 1042 CE1 PHE A 63 8.125 2.863 -0.151 1.00 0.00 C ATOM 1043 CE2 PHE A 63 7.143 1.396 -1.757 1.00 0.00 C ATOM 1044 CZ PHE A 63 8.209 1.747 -0.956 1.00 0.00 C ATOM 0 H PHE A 63 4.074 6.423 0.430 1.00 0.00 H new ATOM 0 HA PHE A 63 5.906 5.835 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.184 4.082 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.915 3.691 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.915 4.500 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.164 1.876 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.959 3.140 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.208 0.522 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.108 1.149 -0.959 1.00 0.00 H new ATOM 1054 N PRO A 64 5.350 6.818 -3.414 1.00 0.00 N ATOM 1055 CA PRO A 64 5.208 7.163 -4.824 1.00 0.00 C ATOM 1056 C PRO A 64 6.372 6.709 -5.724 1.00 0.00 C ATOM 1057 O PRO A 64 6.843 7.490 -6.550 1.00 0.00 O ATOM 1058 CB PRO A 64 5.214 8.682 -4.734 1.00 0.00 C ATOM 1059 CG PRO A 64 6.220 8.977 -3.666 1.00 0.00 C ATOM 1060 CD PRO A 64 6.258 7.769 -2.754 1.00 0.00 C ATOM 0 HA PRO A 64 4.336 6.688 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.495 9.137 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.229 9.070 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.202 9.164 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.942 9.872 -3.110 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.266 7.365 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.921 8.014 -1.747 1.00 0.00 H new ATOM 1068 N PRO A 65 6.868 5.460 -5.594 1.00 0.00 N ATOM 1069 CA PRO A 65 7.979 4.973 -6.413 1.00 0.00 C ATOM 1070 C PRO A 65 7.515 4.425 -7.759 1.00 0.00 C ATOM 1071 O PRO A 65 8.380 4.174 -8.625 1.00 0.00 O ATOM 1072 CB PRO A 65 8.544 3.859 -5.541 1.00 0.00 C ATOM 1073 CG PRO A 65 7.334 3.252 -4.939 1.00 0.00 C ATOM 1074 CD PRO A 65 6.416 4.424 -4.647 1.00 0.00 C ATOM 1075 OXT PRO A 65 6.291 4.252 -7.936 1.00 0.00 O ATOM 0 HA PRO A 65 8.693 5.755 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.108 3.135 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.221 4.248 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.866 2.543 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.578 2.704 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.370 4.164 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.508 4.758 -3.613 1.00 0.00 H new TER 1083 PRO A 65