USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 NoAdj-H: A 107 ASNHD21 : A 107 ASN ND2 : A 2 CACA :(H bumps) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.0781 (180deg=0.0293) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 73:sc= 0.204 USER MOD Single : A 103 MET CE :methyl 134:sc= -0.162 (180deg=-0.763) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.222) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= -0.145 (180deg=-0.145) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -1.05 K(o=-1,f=-3.3!) USER MOD Single : A 124 THR OG1 : rot -170:sc= -0.897 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 171:sc= -3.31! (180deg=-3.37!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -4.86! C(o=-4.9!,f=-8.9!) USER MOD Single : A 144 ASN : amide:sc= -0.0953 X(o=-0.095,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -157:sc= -6.93! (180deg=-9.2!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 56.426 11.065 17.944 1.00 0.00 N ATOM 2 CA GLY A 91 56.870 9.817 18.560 1.00 0.00 C ATOM 3 C GLY A 91 56.622 8.636 17.628 1.00 0.00 C ATOM 4 O GLY A 91 57.558 8.020 17.119 1.00 0.00 O ATOM 0 HA2 GLY A 91 57.932 9.881 18.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 56.341 9.662 19.500 1.00 0.00 H new ATOM 8 N LYS A 92 55.346 8.330 17.409 1.00 0.00 N ATOM 9 CA LYS A 92 54.977 7.221 16.533 1.00 0.00 C ATOM 10 C LYS A 92 55.318 5.885 17.186 1.00 0.00 C ATOM 11 O LYS A 92 54.433 5.094 17.514 1.00 0.00 O ATOM 12 CB LYS A 92 55.717 7.324 15.198 1.00 0.00 C ATOM 13 CG LYS A 92 55.719 8.779 14.722 1.00 0.00 C ATOM 14 CD LYS A 92 54.279 9.259 14.535 1.00 0.00 C ATOM 15 CE LYS A 92 53.855 9.043 13.082 1.00 0.00 C ATOM 16 NZ LYS A 92 52.369 8.969 13.003 1.00 0.00 N ATOM 0 H LYS A 92 54.557 8.828 17.821 1.00 0.00 H new ATOM 0 HA LYS A 92 53.902 7.276 16.359 1.00 0.00 H new ATOM 0 HB2 LYS A 92 56.740 6.966 15.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 55.236 6.688 14.454 1.00 0.00 H new ATOM 0 HG2 LYS A 92 56.232 9.409 15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 92 56.266 8.864 13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.613 8.714 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 92 54.199 10.314 14.795 1.00 0.00 H new ATOM 0 HE2 LYS A 92 54.223 9.859 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 92 54.296 8.124 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.067 9.095 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.049 8.041 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 51.952 9.719 13.590 1.00 0.00 H new ATOM 30 N SER A 93 56.612 5.642 17.370 1.00 0.00 N ATOM 31 CA SER A 93 57.062 4.396 17.984 1.00 0.00 C ATOM 32 C SER A 93 56.806 3.218 17.048 1.00 0.00 C ATOM 33 O SER A 93 56.212 3.372 15.981 1.00 0.00 O ATOM 34 CB SER A 93 56.328 4.152 19.302 1.00 0.00 C ATOM 35 OG SER A 93 57.260 4.189 20.373 1.00 0.00 O ATOM 0 H SER A 93 57.361 6.283 17.106 1.00 0.00 H new ATOM 0 HA SER A 93 58.131 4.483 18.176 1.00 0.00 H new ATOM 0 HB2 SER A 93 55.558 4.910 19.448 1.00 0.00 H new ATOM 0 HB3 SER A 93 55.824 3.186 19.277 1.00 0.00 H new ATOM 0 HG SER A 93 56.792 4.034 21.220 1.00 0.00 H new ATOM 41 N GLU A 94 57.263 2.040 17.462 1.00 0.00 N ATOM 42 CA GLU A 94 57.081 0.836 16.656 1.00 0.00 C ATOM 43 C GLU A 94 55.616 0.411 16.653 1.00 0.00 C ATOM 44 O GLU A 94 55.189 -0.393 15.824 1.00 0.00 O ATOM 45 CB GLU A 94 57.930 -0.312 17.206 1.00 0.00 C ATOM 46 CG GLU A 94 59.349 0.188 17.480 1.00 0.00 C ATOM 47 CD GLU A 94 60.207 -0.968 17.985 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.810 -2.104 17.787 1.00 0.00 O ATOM 49 OE2 GLU A 94 61.248 -0.699 18.561 1.00 0.00 O ATOM 0 H GLU A 94 57.757 1.893 18.342 1.00 0.00 H new ATOM 0 HA GLU A 94 57.396 1.065 15.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.486 -0.699 18.123 1.00 0.00 H new ATOM 0 HB3 GLU A 94 57.955 -1.135 16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 94 59.781 0.605 16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.327 0.989 18.219 1.00 0.00 H new ATOM 56 N GLU A 95 54.849 0.960 17.591 1.00 0.00 N ATOM 57 CA GLU A 95 53.430 0.631 17.689 1.00 0.00 C ATOM 58 C GLU A 95 52.727 0.912 16.365 1.00 0.00 C ATOM 59 O GLU A 95 51.825 0.182 15.956 1.00 0.00 O ATOM 60 CB GLU A 95 52.761 1.452 18.792 1.00 0.00 C ATOM 61 CG GLU A 95 52.913 2.943 18.484 1.00 0.00 C ATOM 62 CD GLU A 95 52.170 3.757 19.538 1.00 0.00 C ATOM 63 OE1 GLU A 95 52.753 4.014 20.578 1.00 0.00 O ATOM 64 OE2 GLU A 95 51.029 4.111 19.290 1.00 0.00 O ATOM 0 H GLU A 95 55.181 1.627 18.287 1.00 0.00 H new ATOM 0 HA GLU A 95 53.348 -0.429 17.929 1.00 0.00 H new ATOM 0 HB2 GLU A 95 51.705 1.191 18.864 1.00 0.00 H new ATOM 0 HB3 GLU A 95 53.213 1.221 19.757 1.00 0.00 H new ATOM 0 HG2 GLU A 95 53.968 3.218 18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.517 3.163 17.493 1.00 0.00 H new ATOM 71 N GLU A 96 53.154 1.982 15.701 1.00 0.00 N ATOM 72 CA GLU A 96 52.564 2.358 14.420 1.00 0.00 C ATOM 73 C GLU A 96 53.278 1.645 13.277 1.00 0.00 C ATOM 74 O GLU A 96 52.646 1.044 12.408 1.00 0.00 O ATOM 75 CB GLU A 96 52.664 3.869 14.205 1.00 0.00 C ATOM 76 CG GLU A 96 51.261 4.457 14.046 1.00 0.00 C ATOM 77 CD GLU A 96 50.721 4.119 12.661 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.484 4.202 11.713 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.552 3.783 12.569 1.00 0.00 O ATOM 0 H GLU A 96 53.899 2.599 16.024 1.00 0.00 H new ATOM 0 HA GLU A 96 51.514 2.064 14.434 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.171 4.334 15.050 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.261 4.082 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.599 4.057 14.814 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.291 5.538 14.182 1.00 0.00 H new ATOM 86 N LEU A 97 54.606 1.718 13.289 1.00 0.00 N ATOM 87 CA LEU A 97 55.402 1.074 12.248 1.00 0.00 C ATOM 88 C LEU A 97 54.810 -0.285 11.896 1.00 0.00 C ATOM 89 O LEU A 97 54.620 -0.612 10.724 1.00 0.00 O ATOM 90 CB LEU A 97 56.845 0.884 12.716 1.00 0.00 C ATOM 91 CG LEU A 97 57.367 2.191 13.314 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.884 2.104 13.483 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.025 3.354 12.379 1.00 0.00 C ATOM 0 H LEU A 97 55.149 2.210 13.999 1.00 0.00 H new ATOM 0 HA LEU A 97 55.391 1.717 11.368 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.895 0.087 13.458 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.472 0.579 11.878 1.00 0.00 H new ATOM 0 HG LEU A 97 56.901 2.357 14.285 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.257 3.035 13.909 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.129 1.277 14.149 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.349 1.938 12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 97 57.397 4.285 12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.490 3.189 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 97 55.944 3.417 12.257 1.00 0.00 H new ATOM 105 N SER A 98 54.516 -1.073 12.927 1.00 0.00 N ATOM 106 CA SER A 98 53.939 -2.396 12.718 1.00 0.00 C ATOM 107 C SER A 98 52.880 -2.337 11.623 1.00 0.00 C ATOM 108 O SER A 98 52.736 -3.263 10.825 1.00 0.00 O ATOM 109 CB SER A 98 53.297 -2.910 14.006 1.00 0.00 C ATOM 110 OG SER A 98 54.045 -2.444 15.122 1.00 0.00 O ATOM 0 H SER A 98 54.666 -0.822 13.904 1.00 0.00 H new ATOM 0 HA SER A 98 54.739 -3.074 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.266 -2.564 14.075 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.268 -4.000 14.002 1.00 0.00 H new ATOM 0 HG SER A 98 53.881 -1.486 15.248 1.00 0.00 H new ATOM 116 N ASP A 99 52.144 -1.229 11.593 1.00 0.00 N ATOM 117 CA ASP A 99 51.100 -1.044 10.590 1.00 0.00 C ATOM 118 C ASP A 99 51.714 -0.605 9.265 1.00 0.00 C ATOM 119 O ASP A 99 51.418 -1.165 8.210 1.00 0.00 O ATOM 120 CB ASP A 99 50.099 0.017 11.050 1.00 0.00 C ATOM 121 CG ASP A 99 48.787 -0.655 11.438 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.820 -1.532 12.285 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.767 -0.281 10.882 1.00 0.00 O ATOM 0 H ASP A 99 52.250 -0.452 12.246 1.00 0.00 H new ATOM 0 HA ASP A 99 50.584 -1.995 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.502 0.569 11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.927 0.740 10.253 1.00 0.00 H new ATOM 128 N LEU A 100 52.579 0.404 9.336 1.00 0.00 N ATOM 129 CA LEU A 100 53.239 0.915 8.138 1.00 0.00 C ATOM 130 C LEU A 100 53.759 -0.240 7.289 1.00 0.00 C ATOM 131 O LEU A 100 53.633 -0.237 6.064 1.00 0.00 O ATOM 132 CB LEU A 100 54.412 1.820 8.518 1.00 0.00 C ATOM 133 CG LEU A 100 53.975 3.284 8.437 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.839 4.128 9.375 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.143 3.787 7.001 1.00 0.00 C ATOM 0 H LEU A 100 52.837 0.879 10.201 1.00 0.00 H new ATOM 0 HA LEU A 100 52.509 1.489 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.753 1.587 9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.253 1.643 7.848 1.00 0.00 H new ATOM 0 HG LEU A 100 52.929 3.367 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.527 5.171 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.722 3.771 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.885 4.045 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.832 4.830 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.189 3.703 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 100 53.528 3.187 6.331 1.00 0.00 H new ATOM 147 N PHE A 101 54.343 -1.231 7.956 1.00 0.00 N ATOM 148 CA PHE A 101 54.878 -2.396 7.258 1.00 0.00 C ATOM 149 C PHE A 101 53.742 -3.237 6.687 1.00 0.00 C ATOM 150 O PHE A 101 53.876 -3.856 5.631 1.00 0.00 O ATOM 151 CB PHE A 101 55.708 -3.258 8.210 1.00 0.00 C ATOM 152 CG PHE A 101 56.444 -4.312 7.419 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.773 -5.466 6.999 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.796 -4.133 7.105 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.455 -6.443 6.264 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.478 -5.110 6.370 1.00 0.00 C ATOM 157 CZ PHE A 101 57.808 -6.265 5.950 1.00 0.00 C ATOM 0 H PHE A 101 54.457 -1.252 8.969 1.00 0.00 H new ATOM 0 HA PHE A 101 55.514 -2.041 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.417 -2.636 8.756 1.00 0.00 H new ATOM 0 HB3 PHE A 101 55.061 -3.729 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.730 -5.603 7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.313 -3.242 7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 101 55.938 -7.334 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.521 -4.973 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.335 -7.019 5.384 1.00 0.00 H new ATOM 167 N ARG A 102 52.618 -3.248 7.398 1.00 0.00 N ATOM 168 CA ARG A 102 51.454 -4.012 6.957 1.00 0.00 C ATOM 169 C ARG A 102 50.746 -3.278 5.824 1.00 0.00 C ATOM 170 O ARG A 102 50.625 -3.792 4.711 1.00 0.00 O ATOM 171 CB ARG A 102 50.472 -4.212 8.113 1.00 0.00 C ATOM 172 CG ARG A 102 49.221 -4.930 7.605 1.00 0.00 C ATOM 173 CD ARG A 102 48.649 -5.808 8.719 1.00 0.00 C ATOM 174 NE ARG A 102 47.653 -5.074 9.495 1.00 0.00 N ATOM 175 CZ ARG A 102 46.456 -4.796 8.986 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.159 -5.174 7.773 1.00 0.00 N ATOM 177 NH2 ARG A 102 45.580 -4.143 9.699 1.00 0.00 N ATOM 0 H ARG A 102 52.488 -2.742 8.274 1.00 0.00 H new ATOM 0 HA ARG A 102 51.798 -4.985 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.941 -4.795 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.201 -3.248 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.477 -4.202 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.467 -5.541 6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.196 -6.701 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 102 49.453 -6.143 9.374 1.00 0.00 H new ATOM 0 HE ARG A 102 47.879 -4.770 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.845 -5.683 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 102 45.241 -4.961 7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 102 45.813 -3.846 10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 102 44.662 -3.930 9.309 1.00 0.00 H new ATOM 191 N MET A 103 50.284 -2.066 6.118 1.00 0.00 N ATOM 192 CA MET A 103 49.594 -1.264 5.113 1.00 0.00 C ATOM 193 C MET A 103 50.341 -1.336 3.786 1.00 0.00 C ATOM 194 O MET A 103 49.743 -1.266 2.713 1.00 0.00 O ATOM 195 CB MET A 103 49.508 0.196 5.559 1.00 0.00 C ATOM 196 CG MET A 103 50.885 0.669 6.027 1.00 0.00 C ATOM 197 SD MET A 103 51.616 1.740 4.765 1.00 0.00 S ATOM 198 CE MET A 103 50.491 3.141 4.980 1.00 0.00 C ATOM 0 H MET A 103 50.373 -1.622 7.032 1.00 0.00 H new ATOM 0 HA MET A 103 48.587 -1.662 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.158 0.819 4.736 1.00 0.00 H new ATOM 0 HB3 MET A 103 48.783 0.299 6.366 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.795 1.209 6.970 1.00 0.00 H new ATOM 0 HG3 MET A 103 51.533 -0.188 6.211 1.00 0.00 H new ATOM 0 HE1 MET A 103 51.066 4.066 5.018 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.795 3.180 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.934 3.021 5.909 1.00 0.00 H new ATOM 208 N PHE A 104 51.659 -1.481 3.878 1.00 0.00 N ATOM 209 CA PHE A 104 52.493 -1.569 2.683 1.00 0.00 C ATOM 210 C PHE A 104 52.394 -2.963 2.072 1.00 0.00 C ATOM 211 O PHE A 104 52.057 -3.120 0.898 1.00 0.00 O ATOM 212 CB PHE A 104 53.955 -1.279 3.031 1.00 0.00 C ATOM 213 CG PHE A 104 54.583 -0.456 1.933 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.215 -0.671 0.599 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.535 0.522 2.247 1.00 0.00 C ATOM 216 CE1 PHE A 104 54.798 0.092 -0.419 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.118 1.285 1.229 1.00 0.00 C ATOM 218 CZ PHE A 104 55.750 1.070 -0.105 1.00 0.00 C ATOM 0 H PHE A 104 52.170 -1.540 4.759 1.00 0.00 H new ATOM 0 HA PHE A 104 52.138 -0.830 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.015 -0.745 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.502 -2.214 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.481 -1.425 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.819 0.687 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.514 -0.073 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.852 2.039 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.200 1.658 -0.891 1.00 0.00 H new ATOM 228 N ASP A 105 52.688 -3.974 2.886 1.00 0.00 N ATOM 229 CA ASP A 105 52.627 -5.358 2.423 1.00 0.00 C ATOM 230 C ASP A 105 51.181 -5.766 2.158 1.00 0.00 C ATOM 231 O ASP A 105 50.347 -5.766 3.063 1.00 0.00 O ATOM 232 CB ASP A 105 53.226 -6.297 3.471 1.00 0.00 C ATOM 233 CG ASP A 105 54.173 -7.281 2.794 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.681 -6.950 1.735 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.377 -8.351 3.343 1.00 0.00 O ATOM 0 H ASP A 105 52.968 -3.863 3.860 1.00 0.00 H new ATOM 0 HA ASP A 105 53.201 -5.432 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.762 -5.721 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.432 -6.837 3.986 1.00 0.00 H new ATOM 240 N LYS A 106 50.891 -6.109 0.905 1.00 0.00 N ATOM 241 CA LYS A 106 49.536 -6.513 0.535 1.00 0.00 C ATOM 242 C LYS A 106 49.566 -7.624 -0.510 1.00 0.00 C ATOM 243 O LYS A 106 48.597 -7.831 -1.241 1.00 0.00 O ATOM 244 CB LYS A 106 48.762 -5.323 -0.028 1.00 0.00 C ATOM 245 CG LYS A 106 49.589 -4.649 -1.123 1.00 0.00 C ATOM 246 CD LYS A 106 48.682 -3.744 -1.954 1.00 0.00 C ATOM 247 CE LYS A 106 48.250 -4.481 -3.223 1.00 0.00 C ATOM 248 NZ LYS A 106 46.896 -5.069 -3.019 1.00 0.00 N ATOM 0 H LYS A 106 51.564 -6.116 0.139 1.00 0.00 H new ATOM 0 HA LYS A 106 49.042 -6.881 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 106 47.806 -5.656 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.541 -4.610 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.396 -4.066 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.053 -5.402 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 106 47.806 -3.456 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 106 49.208 -2.826 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 106 48.236 -3.794 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.967 -5.266 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 46.495 -5.345 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 46.970 -5.907 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 46.277 -4.366 -2.568 1.00 0.00 H new ATOM 262 N ASN A 107 50.685 -8.339 -0.573 1.00 0.00 N ATOM 263 CA ASN A 107 50.822 -9.431 -1.534 1.00 0.00 C ATOM 264 C ASN A 107 51.142 -10.736 -0.812 1.00 0.00 C ATOM 265 O ASN A 107 51.630 -11.694 -1.413 1.00 0.00 O ATOM 266 CB ASN A 107 51.931 -9.123 -2.549 1.00 0.00 C ATOM 267 CG ASN A 107 53.299 -9.394 -1.927 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.667 -10.546 -1.698 1.00 0.00 O ATOM 269 ND2 ASN A 107 54.083 -8.391 -1.639 1.00 0.00 N ATOM 0 H ASN A 107 51.500 -8.186 0.020 1.00 0.00 H new ATOM 0 HA ASN A 107 49.875 -9.535 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.800 -9.736 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.866 -8.082 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.779 -7.436 -1.828 1.00 0.00 H new ATOM 276 N ALA A 108 50.865 -10.758 0.488 1.00 0.00 N ATOM 277 CA ALA A 108 51.128 -11.945 1.296 1.00 0.00 C ATOM 278 C ALA A 108 52.506 -12.512 0.979 1.00 0.00 C ATOM 279 O ALA A 108 52.661 -13.361 0.101 1.00 0.00 O ATOM 280 CB ALA A 108 50.079 -13.022 1.031 1.00 0.00 C ATOM 0 H ALA A 108 50.462 -9.975 1.002 1.00 0.00 H new ATOM 0 HA ALA A 108 51.086 -11.649 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 108 50.294 -13.898 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 108 49.091 -12.637 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 108 50.102 -13.301 -0.022 1.00 0.00 H new ATOM 286 N ASP A 109 53.504 -12.033 1.711 1.00 0.00 N ATOM 287 CA ASP A 109 54.875 -12.495 1.512 1.00 0.00 C ATOM 288 C ASP A 109 55.704 -12.252 2.769 1.00 0.00 C ATOM 289 O ASP A 109 56.553 -13.065 3.138 1.00 0.00 O ATOM 290 CB ASP A 109 55.524 -11.762 0.336 1.00 0.00 C ATOM 291 CG ASP A 109 55.484 -10.259 0.587 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.502 -9.798 1.145 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.436 -9.591 0.217 1.00 0.00 O ATOM 0 H ASP A 109 53.393 -11.331 2.442 1.00 0.00 H new ATOM 0 HA ASP A 109 54.843 -13.563 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 109 56.555 -12.093 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.999 -12.001 -0.589 1.00 0.00 H new ATOM 298 N GLY A 110 55.448 -11.123 3.423 1.00 0.00 N ATOM 299 CA GLY A 110 56.175 -10.778 4.642 1.00 0.00 C ATOM 300 C GLY A 110 57.451 -10.010 4.313 1.00 0.00 C ATOM 301 O GLY A 110 58.332 -9.852 5.157 1.00 0.00 O ATOM 0 H GLY A 110 54.750 -10.437 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.540 -10.175 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.423 -11.686 5.192 1.00 0.00 H new ATOM 305 N TYR A 111 57.538 -9.536 3.074 1.00 0.00 N ATOM 306 CA TYR A 111 58.712 -8.785 2.637 1.00 0.00 C ATOM 307 C TYR A 111 58.340 -7.836 1.502 1.00 0.00 C ATOM 308 O TYR A 111 58.323 -8.221 0.333 1.00 0.00 O ATOM 309 CB TYR A 111 59.805 -9.739 2.154 1.00 0.00 C ATOM 310 CG TYR A 111 60.391 -10.473 3.337 1.00 0.00 C ATOM 311 CD1 TYR A 111 61.466 -9.920 4.043 1.00 0.00 C ATOM 312 CD2 TYR A 111 59.856 -11.706 3.730 1.00 0.00 C ATOM 313 CE1 TYR A 111 62.008 -10.600 5.140 1.00 0.00 C ATOM 314 CE2 TYR A 111 60.397 -12.386 4.827 1.00 0.00 C ATOM 315 CZ TYR A 111 61.473 -11.833 5.533 1.00 0.00 C ATOM 316 OH TYR A 111 62.006 -12.503 6.614 1.00 0.00 O ATOM 0 H TYR A 111 56.819 -9.656 2.361 1.00 0.00 H new ATOM 0 HA TYR A 111 59.083 -8.210 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.392 -10.451 1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.585 -9.182 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 111 61.877 -8.968 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 111 59.026 -12.132 3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 111 62.839 -10.174 5.683 1.00 0.00 H new ATOM 0 HE2 TYR A 111 59.985 -13.337 5.129 1.00 0.00 H new ATOM 0 HH TYR A 111 61.518 -13.342 6.752 1.00 0.00 H new ATOM 326 N ILE A 112 58.039 -6.590 1.860 1.00 0.00 N ATOM 327 CA ILE A 112 57.663 -5.594 0.862 1.00 0.00 C ATOM 328 C ILE A 112 58.622 -5.634 -0.321 1.00 0.00 C ATOM 329 O ILE A 112 59.840 -5.704 -0.158 1.00 0.00 O ATOM 330 CB ILE A 112 57.668 -4.184 1.466 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.443 -4.016 2.365 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.620 -3.133 0.349 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.900 -3.680 3.783 1.00 0.00 C ATOM 0 H ILE A 112 58.048 -6.250 2.821 1.00 0.00 H new ATOM 0 HA ILE A 112 56.655 -5.832 0.521 1.00 0.00 H new ATOM 0 HB ILE A 112 58.580 -4.048 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.801 -3.224 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.852 -4.932 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.624 -2.135 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.490 -3.249 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.712 -3.267 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.029 -3.559 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.525 -4.487 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.473 -2.753 3.771 1.00 0.00 H new ATOM 345 N ASP A 113 58.046 -5.577 -1.514 1.00 0.00 N ATOM 346 CA ASP A 113 58.832 -5.594 -2.742 1.00 0.00 C ATOM 347 C ASP A 113 58.476 -4.377 -3.596 1.00 0.00 C ATOM 348 O ASP A 113 57.977 -3.375 -3.085 1.00 0.00 O ATOM 349 CB ASP A 113 58.561 -6.880 -3.529 1.00 0.00 C ATOM 350 CG ASP A 113 57.090 -6.939 -3.924 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.733 -6.302 -4.900 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.342 -7.621 -3.244 1.00 0.00 O ATOM 0 H ASP A 113 57.038 -5.519 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 113 59.891 -5.559 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.188 -6.912 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.821 -7.749 -2.925 1.00 0.00 H new ATOM 357 N LEU A 114 58.740 -4.465 -4.896 1.00 0.00 N ATOM 358 CA LEU A 114 58.441 -3.353 -5.794 1.00 0.00 C ATOM 359 C LEU A 114 56.981 -3.393 -6.237 1.00 0.00 C ATOM 360 O LEU A 114 56.294 -2.371 -6.254 1.00 0.00 O ATOM 361 CB LEU A 114 59.338 -3.411 -7.033 1.00 0.00 C ATOM 362 CG LEU A 114 60.179 -2.137 -7.118 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.222 -2.138 -6.000 1.00 0.00 C ATOM 364 CD2 LEU A 114 60.888 -2.087 -8.473 1.00 0.00 C ATOM 0 H LEU A 114 59.154 -5.281 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 114 58.627 -2.427 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 114 59.988 -4.285 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 114 58.729 -3.517 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 114 59.532 -1.266 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 114 61.821 -1.230 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 114 60.719 -2.177 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.870 -3.008 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.488 -1.179 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.535 -2.958 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.146 -2.088 -9.272 1.00 0.00 H new ATOM 376 N GLU A 115 56.517 -4.585 -6.601 1.00 0.00 N ATOM 377 CA GLU A 115 55.137 -4.752 -7.051 1.00 0.00 C ATOM 378 C GLU A 115 54.188 -3.897 -6.218 1.00 0.00 C ATOM 379 O GLU A 115 53.143 -3.457 -6.699 1.00 0.00 O ATOM 380 CB GLU A 115 54.711 -6.217 -6.942 1.00 0.00 C ATOM 381 CG GLU A 115 54.323 -6.739 -8.326 1.00 0.00 C ATOM 382 CD GLU A 115 52.933 -6.227 -8.690 1.00 0.00 C ATOM 383 OE1 GLU A 115 52.394 -5.441 -7.929 1.00 0.00 O ATOM 384 OE2 GLU A 115 52.428 -6.628 -9.726 1.00 0.00 O ATOM 0 H GLU A 115 57.069 -5.442 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 115 55.088 -4.434 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.525 -6.814 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 115 53.869 -6.312 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.050 -6.409 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 115 54.334 -7.829 -8.332 1.00 0.00 H new ATOM 391 N GLU A 116 54.559 -3.665 -4.962 1.00 0.00 N ATOM 392 CA GLU A 116 53.727 -2.860 -4.072 1.00 0.00 C ATOM 393 C GLU A 116 54.126 -1.390 -4.158 1.00 0.00 C ATOM 394 O GLU A 116 53.286 -0.514 -4.364 1.00 0.00 O ATOM 395 CB GLU A 116 53.872 -3.329 -2.623 1.00 0.00 C ATOM 396 CG GLU A 116 54.039 -4.849 -2.586 1.00 0.00 C ATOM 397 CD GLU A 116 54.346 -5.288 -1.159 1.00 0.00 C ATOM 398 OE1 GLU A 116 55.241 -4.711 -0.564 1.00 0.00 O ATOM 399 OE2 GLU A 116 53.682 -6.193 -0.682 1.00 0.00 O ATOM 0 H GLU A 116 55.419 -4.018 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 116 52.690 -2.978 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.733 -2.848 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 116 52.995 -3.036 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.130 -5.335 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.845 -5.154 -3.254 1.00 0.00 H new ATOM 406 N LEU A 117 55.421 -1.131 -3.998 1.00 0.00 N ATOM 407 CA LEU A 117 55.929 0.236 -4.057 1.00 0.00 C ATOM 408 C LEU A 117 55.275 1.000 -5.205 1.00 0.00 C ATOM 409 O LEU A 117 54.618 2.020 -4.996 1.00 0.00 O ATOM 410 CB LEU A 117 57.445 0.235 -4.255 1.00 0.00 C ATOM 411 CG LEU A 117 58.124 0.747 -2.983 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.064 -0.327 -2.435 1.00 0.00 C ATOM 413 CD2 LEU A 117 58.926 2.009 -3.306 1.00 0.00 C ATOM 0 H LEU A 117 56.132 -1.843 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 117 55.688 0.726 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 117 57.792 -0.772 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 117 57.713 0.866 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 117 57.365 0.979 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.547 0.040 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.493 -1.226 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.823 -0.561 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.410 2.374 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.684 1.777 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.256 2.776 -3.694 1.00 0.00 H new ATOM 425 N LYS A 118 55.462 0.495 -6.421 1.00 0.00 N ATOM 426 CA LYS A 118 54.885 1.138 -7.599 1.00 0.00 C ATOM 427 C LYS A 118 53.455 1.584 -7.313 1.00 0.00 C ATOM 428 O LYS A 118 53.080 2.726 -7.580 1.00 0.00 O ATOM 429 CB LYS A 118 54.871 0.174 -8.787 1.00 0.00 C ATOM 430 CG LYS A 118 56.305 -0.212 -9.151 1.00 0.00 C ATOM 431 CD LYS A 118 56.281 -1.313 -10.214 1.00 0.00 C ATOM 432 CE LYS A 118 57.640 -2.014 -10.255 1.00 0.00 C ATOM 433 NZ LYS A 118 57.440 -3.490 -10.188 1.00 0.00 N ATOM 0 H LYS A 118 56.002 -0.348 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 118 55.500 2.005 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.296 -0.718 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.381 0.641 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.844 0.658 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 118 56.836 -0.559 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 118 55.495 -2.034 -9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.051 -0.886 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.170 -1.749 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.258 -1.682 -9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.364 -3.967 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 56.951 -3.734 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.866 -3.800 -10.998 1.00 0.00 H new ATOM 447 N ILE A 119 52.660 0.666 -6.771 1.00 0.00 N ATOM 448 CA ILE A 119 51.267 0.968 -6.453 1.00 0.00 C ATOM 449 C ILE A 119 51.181 2.163 -5.508 1.00 0.00 C ATOM 450 O ILE A 119 50.339 3.046 -5.673 1.00 0.00 O ATOM 451 CB ILE A 119 50.595 -0.241 -5.794 1.00 0.00 C ATOM 452 CG1 ILE A 119 50.371 -1.333 -6.842 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.245 0.174 -5.202 1.00 0.00 C ATOM 454 CD1 ILE A 119 49.733 -2.555 -6.177 1.00 0.00 C ATOM 0 H ILE A 119 52.952 -0.285 -6.544 1.00 0.00 H new ATOM 0 HA ILE A 119 50.753 1.206 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 119 51.238 -0.619 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 119 49.726 -0.961 -7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.319 -1.610 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 119 48.772 -0.690 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.399 0.952 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.602 0.555 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 119 49.573 -3.333 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 119 50.394 -2.931 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 119 48.777 -2.272 -5.737 1.00 0.00 H new ATOM 466 N MET A 120 52.058 2.175 -4.509 1.00 0.00 N ATOM 467 CA MET A 120 52.071 3.259 -3.530 1.00 0.00 C ATOM 468 C MET A 120 52.511 4.575 -4.166 1.00 0.00 C ATOM 469 O MET A 120 52.487 5.625 -3.524 1.00 0.00 O ATOM 470 CB MET A 120 53.023 2.923 -2.380 1.00 0.00 C ATOM 471 CG MET A 120 52.305 3.122 -1.044 1.00 0.00 C ATOM 472 SD MET A 120 53.511 3.038 0.304 1.00 0.00 S ATOM 473 CE MET A 120 52.673 4.182 1.427 1.00 0.00 C ATOM 0 H MET A 120 52.763 1.454 -4.356 1.00 0.00 H new ATOM 0 HA MET A 120 51.055 3.371 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.368 1.893 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 120 53.906 3.560 -2.428 1.00 0.00 H new ATOM 0 HG2 MET A 120 51.796 4.086 -1.032 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.541 2.356 -0.911 1.00 0.00 H new ATOM 0 HE1 MET A 120 53.254 4.283 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.578 5.157 0.949 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.682 3.797 1.666 1.00 0.00 H new ATOM 483 N LEU A 121 52.920 4.513 -5.430 1.00 0.00 N ATOM 484 CA LEU A 121 53.368 5.715 -6.126 1.00 0.00 C ATOM 485 C LEU A 121 52.386 6.108 -7.228 1.00 0.00 C ATOM 486 O LEU A 121 51.616 7.058 -7.084 1.00 0.00 O ATOM 487 CB LEU A 121 54.749 5.487 -6.745 1.00 0.00 C ATOM 488 CG LEU A 121 55.738 5.077 -5.652 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.131 4.907 -6.262 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.784 6.162 -4.574 1.00 0.00 C ATOM 0 H LEU A 121 52.951 3.658 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 121 53.422 6.521 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.693 4.711 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.093 6.396 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 121 55.418 4.135 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.836 4.615 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.100 4.135 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.451 5.849 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.488 5.871 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.104 7.104 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.792 6.285 -4.139 1.00 0.00 H new ATOM 502 N GLN A 122 52.435 5.374 -8.336 1.00 0.00 N ATOM 503 CA GLN A 122 51.562 5.654 -9.475 1.00 0.00 C ATOM 504 C GLN A 122 50.090 5.455 -9.115 1.00 0.00 C ATOM 505 O GLN A 122 49.227 6.216 -9.551 1.00 0.00 O ATOM 506 CB GLN A 122 51.910 4.737 -10.649 1.00 0.00 C ATOM 507 CG GLN A 122 53.379 4.931 -11.030 1.00 0.00 C ATOM 508 CD GLN A 122 54.023 3.573 -11.284 1.00 0.00 C ATOM 509 OE1 GLN A 122 53.971 2.684 -10.434 1.00 0.00 O ATOM 510 NE2 GLN A 122 54.633 3.358 -12.417 1.00 0.00 N ATOM 0 H GLN A 122 53.066 4.584 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 122 51.719 6.696 -9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.728 3.697 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 122 51.269 4.961 -11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 122 53.455 5.554 -11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 122 53.907 5.452 -10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 122 54.676 4.095 -13.121 1.00 0.00 H new ATOM 0 HE22 GLN A 122 55.067 2.453 -12.599 1.00 0.00 H new ATOM 519 N ALA A 123 49.807 4.423 -8.324 1.00 0.00 N ATOM 520 CA ALA A 123 48.427 4.145 -7.931 1.00 0.00 C ATOM 521 C ALA A 123 47.919 5.225 -6.984 1.00 0.00 C ATOM 522 O ALA A 123 46.796 5.712 -7.119 1.00 0.00 O ATOM 523 CB ALA A 123 48.323 2.785 -7.239 1.00 0.00 C ATOM 0 H ALA A 123 50.500 3.776 -7.948 1.00 0.00 H new ATOM 0 HA ALA A 123 47.818 4.134 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.287 2.599 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.658 2.003 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.950 2.782 -6.347 1.00 0.00 H new ATOM 529 N THR A 124 48.761 5.597 -6.028 1.00 0.00 N ATOM 530 CA THR A 124 48.394 6.626 -5.063 1.00 0.00 C ATOM 531 C THR A 124 48.031 7.917 -5.786 1.00 0.00 C ATOM 532 O THR A 124 47.295 8.755 -5.266 1.00 0.00 O ATOM 533 CB THR A 124 49.557 6.903 -4.110 1.00 0.00 C ATOM 534 OG1 THR A 124 50.785 6.689 -4.793 1.00 0.00 O ATOM 535 CG2 THR A 124 49.469 5.962 -2.908 1.00 0.00 C ATOM 0 H THR A 124 49.694 5.206 -5.900 1.00 0.00 H new ATOM 0 HA THR A 124 47.536 6.268 -4.494 1.00 0.00 H new ATOM 0 HB THR A 124 49.507 7.935 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.525 6.713 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 124 50.299 6.160 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 124 48.526 6.126 -2.386 1.00 0.00 H new ATOM 0 HG23 THR A 124 49.520 4.928 -3.251 1.00 0.00 H new ATOM 543 N GLY A 125 48.567 8.068 -6.993 1.00 0.00 N ATOM 544 CA GLY A 125 48.310 9.262 -7.789 1.00 0.00 C ATOM 545 C GLY A 125 49.520 10.183 -7.747 1.00 0.00 C ATOM 546 O GLY A 125 49.418 11.387 -7.984 1.00 0.00 O ATOM 0 H GLY A 125 49.178 7.383 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 125 48.091 8.982 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 125 47.432 9.783 -7.406 1.00 0.00 H new ATOM 550 N GLU A 126 50.669 9.594 -7.430 1.00 0.00 N ATOM 551 CA GLU A 126 51.910 10.353 -7.342 1.00 0.00 C ATOM 552 C GLU A 126 52.551 10.504 -8.717 1.00 0.00 C ATOM 553 O GLU A 126 52.355 9.675 -9.607 1.00 0.00 O ATOM 554 CB GLU A 126 52.893 9.647 -6.408 1.00 0.00 C ATOM 555 CG GLU A 126 53.449 10.653 -5.400 1.00 0.00 C ATOM 556 CD GLU A 126 54.123 9.908 -4.253 1.00 0.00 C ATOM 557 OE1 GLU A 126 53.429 9.552 -3.315 1.00 0.00 O ATOM 558 OE2 GLU A 126 55.323 9.704 -4.330 1.00 0.00 O ATOM 0 H GLU A 126 50.766 8.598 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 126 51.673 11.342 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 126 52.393 8.831 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 126 53.706 9.206 -6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 126 54.165 11.314 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 126 52.645 11.281 -5.016 1.00 0.00 H new ATOM 565 N THR A 127 53.325 11.574 -8.877 1.00 0.00 N ATOM 566 CA THR A 127 54.000 11.835 -10.144 1.00 0.00 C ATOM 567 C THR A 127 55.393 11.214 -10.137 1.00 0.00 C ATOM 568 O THR A 127 56.370 11.850 -9.741 1.00 0.00 O ATOM 569 CB THR A 127 54.127 13.341 -10.381 1.00 0.00 C ATOM 570 OG1 THR A 127 55.041 13.577 -11.443 1.00 0.00 O ATOM 571 CG2 THR A 127 54.635 14.017 -9.107 1.00 0.00 C ATOM 0 H THR A 127 53.499 12.269 -8.151 1.00 0.00 H new ATOM 0 HA THR A 127 53.406 11.392 -10.943 1.00 0.00 H new ATOM 0 HB THR A 127 53.152 13.752 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 127 55.122 14.541 -11.597 1.00 0.00 H new ATOM 0 HG21 THR A 127 54.726 15.090 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 127 53.932 13.836 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 127 55.610 13.608 -8.842 1.00 0.00 H new ATOM 579 N ILE A 128 55.472 9.962 -10.576 1.00 0.00 N ATOM 580 CA ILE A 128 56.751 9.259 -10.612 1.00 0.00 C ATOM 581 C ILE A 128 56.858 8.406 -11.873 1.00 0.00 C ATOM 582 O ILE A 128 55.858 8.105 -12.524 1.00 0.00 O ATOM 583 CB ILE A 128 56.900 8.360 -9.383 1.00 0.00 C ATOM 584 CG1 ILE A 128 57.076 9.232 -8.137 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.125 7.460 -9.554 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.377 8.574 -6.946 1.00 0.00 C ATOM 0 H ILE A 128 54.676 9.418 -10.908 1.00 0.00 H new ATOM 0 HA ILE A 128 57.546 10.005 -10.614 1.00 0.00 H new ATOM 0 HB ILE A 128 56.010 7.741 -9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 128 58.136 9.365 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.660 10.224 -8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.231 6.820 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.001 6.842 -10.443 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.017 8.077 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.504 9.197 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 128 55.315 8.464 -7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 128 56.814 7.592 -6.765 1.00 0.00 H new ATOM 598 N THR A 129 58.086 8.021 -12.206 1.00 0.00 N ATOM 599 CA THR A 129 58.324 7.201 -13.390 1.00 0.00 C ATOM 600 C THR A 129 59.569 6.342 -13.193 1.00 0.00 C ATOM 601 O THR A 129 60.625 6.614 -13.764 1.00 0.00 O ATOM 602 CB THR A 129 58.517 8.084 -14.626 1.00 0.00 C ATOM 603 OG1 THR A 129 58.813 7.266 -15.749 1.00 0.00 O ATOM 604 CG2 THR A 129 59.670 9.059 -14.384 1.00 0.00 C ATOM 0 H THR A 129 58.925 8.261 -11.678 1.00 0.00 H new ATOM 0 HA THR A 129 57.455 6.560 -13.538 1.00 0.00 H new ATOM 0 HB THR A 129 57.603 8.647 -14.817 1.00 0.00 H new ATOM 0 HG1 THR A 129 58.935 7.830 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 129 59.806 9.687 -15.264 1.00 0.00 H new ATOM 0 HG22 THR A 129 59.441 9.687 -13.523 1.00 0.00 H new ATOM 0 HG23 THR A 129 60.586 8.499 -14.192 1.00 0.00 H new ATOM 612 N GLU A 130 59.434 5.303 -12.373 1.00 0.00 N ATOM 613 CA GLU A 130 60.557 4.411 -12.101 1.00 0.00 C ATOM 614 C GLU A 130 61.796 5.221 -11.737 1.00 0.00 C ATOM 615 O GLU A 130 62.926 4.808 -11.999 1.00 0.00 O ATOM 616 CB GLU A 130 60.866 3.547 -13.325 1.00 0.00 C ATOM 617 CG GLU A 130 61.050 2.092 -12.890 1.00 0.00 C ATOM 618 CD GLU A 130 61.790 1.324 -13.980 1.00 0.00 C ATOM 619 OE1 GLU A 130 61.789 1.787 -15.108 1.00 0.00 O ATOM 620 OE2 GLU A 130 62.349 0.285 -13.669 1.00 0.00 O ATOM 0 H GLU A 130 58.569 5.060 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 130 60.283 3.766 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 130 60.055 3.621 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 130 61.769 3.907 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.610 2.049 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 130 60.080 1.632 -12.701 1.00 0.00 H new ATOM 627 N ASP A 131 61.568 6.382 -11.130 1.00 0.00 N ATOM 628 CA ASP A 131 62.670 7.253 -10.731 1.00 0.00 C ATOM 629 C ASP A 131 62.672 7.458 -9.218 1.00 0.00 C ATOM 630 O ASP A 131 63.623 7.998 -8.653 1.00 0.00 O ATOM 631 CB ASP A 131 62.547 8.615 -11.418 1.00 0.00 C ATOM 632 CG ASP A 131 63.655 8.766 -12.455 1.00 0.00 C ATOM 633 OD1 ASP A 131 63.649 8.010 -13.413 1.00 0.00 O ATOM 634 OD2 ASP A 131 64.492 9.635 -12.277 1.00 0.00 O ATOM 0 H ASP A 131 60.640 6.740 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 131 63.602 6.775 -11.032 1.00 0.00 H new ATOM 0 HB2 ASP A 131 61.572 8.705 -11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 131 62.615 9.414 -10.679 1.00 0.00 H new ATOM 639 N ASP A 132 61.595 7.022 -8.568 1.00 0.00 N ATOM 640 CA ASP A 132 61.483 7.165 -7.119 1.00 0.00 C ATOM 641 C ASP A 132 61.591 5.805 -6.435 1.00 0.00 C ATOM 642 O ASP A 132 61.825 5.718 -5.229 1.00 0.00 O ATOM 643 CB ASP A 132 60.143 7.804 -6.747 1.00 0.00 C ATOM 644 CG ASP A 132 60.388 9.109 -5.998 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.497 9.302 -5.529 1.00 0.00 O ATOM 646 OD2 ASP A 132 59.461 9.896 -5.903 1.00 0.00 O ATOM 0 H ASP A 132 60.796 6.572 -9.015 1.00 0.00 H new ATOM 0 HA ASP A 132 62.298 7.805 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 132 59.557 7.994 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 132 59.563 7.121 -6.127 1.00 0.00 H new ATOM 651 N ILE A 133 61.416 4.743 -7.217 1.00 0.00 N ATOM 652 CA ILE A 133 61.492 3.389 -6.674 1.00 0.00 C ATOM 653 C ILE A 133 62.934 2.886 -6.684 1.00 0.00 C ATOM 654 O ILE A 133 63.526 2.632 -5.635 1.00 0.00 O ATOM 655 CB ILE A 133 60.627 2.431 -7.497 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.171 2.904 -7.466 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.717 1.024 -6.903 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.608 2.923 -8.888 1.00 0.00 C ATOM 0 H ILE A 133 61.223 4.791 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 133 61.126 3.421 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 133 60.983 2.415 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.576 2.242 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.111 3.900 -7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.101 0.342 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.753 0.686 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.361 1.040 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.572 3.260 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.197 3.603 -9.503 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.654 1.919 -9.311 1.00 0.00 H new ATOM 670 N GLU A 134 63.488 2.740 -7.884 1.00 0.00 N ATOM 671 CA GLU A 134 64.861 2.260 -8.031 1.00 0.00 C ATOM 672 C GLU A 134 65.825 3.113 -7.210 1.00 0.00 C ATOM 673 O GLU A 134 66.949 2.700 -6.922 1.00 0.00 O ATOM 674 CB GLU A 134 65.287 2.301 -9.500 1.00 0.00 C ATOM 675 CG GLU A 134 65.851 0.938 -9.907 1.00 0.00 C ATOM 676 CD GLU A 134 66.721 1.096 -11.149 1.00 0.00 C ATOM 677 OE1 GLU A 134 66.968 2.227 -11.536 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.127 0.084 -11.696 1.00 0.00 O ATOM 0 H GLU A 134 63.013 2.945 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 134 64.894 1.232 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.435 2.556 -10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.038 3.077 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.438 0.517 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.037 0.241 -10.107 1.00 0.00 H new ATOM 685 N GLU A 135 65.378 4.309 -6.841 1.00 0.00 N ATOM 686 CA GLU A 135 66.215 5.214 -6.057 1.00 0.00 C ATOM 687 C GLU A 135 66.063 4.933 -4.564 1.00 0.00 C ATOM 688 O GLU A 135 67.045 4.880 -3.824 1.00 0.00 O ATOM 689 CB GLU A 135 65.830 6.668 -6.330 1.00 0.00 C ATOM 690 CG GLU A 135 66.986 7.586 -5.929 1.00 0.00 C ATOM 691 CD GLU A 135 67.995 7.659 -7.070 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.608 7.390 -8.195 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.140 7.983 -6.801 1.00 0.00 O ATOM 0 H GLU A 135 64.452 4.672 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 135 67.251 5.048 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 135 65.596 6.801 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.933 6.929 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 135 66.610 8.582 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 135 67.468 7.209 -5.027 1.00 0.00 H new ATOM 700 N LEU A 136 64.817 4.761 -4.132 1.00 0.00 N ATOM 701 CA LEU A 136 64.538 4.494 -2.723 1.00 0.00 C ATOM 702 C LEU A 136 64.802 3.029 -2.386 1.00 0.00 C ATOM 703 O LEU A 136 65.175 2.694 -1.262 1.00 0.00 O ATOM 704 CB LEU A 136 63.079 4.819 -2.399 1.00 0.00 C ATOM 705 CG LEU A 136 63.021 6.010 -1.441 1.00 0.00 C ATOM 706 CD1 LEU A 136 62.002 7.028 -1.954 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.601 5.525 -0.052 1.00 0.00 C ATOM 0 H LEU A 136 63.991 4.801 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 136 65.198 5.126 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.535 5.049 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.594 3.953 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 136 64.004 6.478 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.960 7.877 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.299 7.373 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 136 61.019 6.561 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.559 6.373 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.618 5.058 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.326 4.798 0.314 1.00 0.00 H new ATOM 719 N MET A 137 64.597 2.160 -3.371 1.00 0.00 N ATOM 720 CA MET A 137 64.808 0.729 -3.168 1.00 0.00 C ATOM 721 C MET A 137 66.269 0.437 -2.836 1.00 0.00 C ATOM 722 O MET A 137 66.574 -0.200 -1.828 1.00 0.00 O ATOM 723 CB MET A 137 64.419 -0.053 -4.424 1.00 0.00 C ATOM 724 CG MET A 137 64.100 -1.500 -4.045 1.00 0.00 C ATOM 725 SD MET A 137 65.127 -2.622 -5.025 1.00 0.00 S ATOM 726 CE MET A 137 64.380 -4.167 -4.452 1.00 0.00 C ATOM 0 H MET A 137 64.288 2.417 -4.309 1.00 0.00 H new ATOM 0 HA MET A 137 64.180 0.417 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.554 0.409 -4.900 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.233 -0.027 -5.149 1.00 0.00 H new ATOM 0 HG2 MET A 137 64.283 -1.657 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 137 63.045 -1.709 -4.221 1.00 0.00 H new ATOM 0 HE1 MET A 137 64.756 -4.997 -5.051 1.00 0.00 H new ATOM 0 HE2 MET A 137 64.637 -4.329 -3.405 1.00 0.00 H new ATOM 0 HE3 MET A 137 63.296 -4.107 -4.554 1.00 0.00 H new ATOM 736 N LYS A 138 67.168 0.903 -3.697 1.00 0.00 N ATOM 737 CA LYS A 138 68.597 0.679 -3.488 1.00 0.00 C ATOM 738 C LYS A 138 68.991 1.004 -2.051 1.00 0.00 C ATOM 739 O LYS A 138 69.510 0.155 -1.327 1.00 0.00 O ATOM 740 CB LYS A 138 69.421 1.550 -4.438 1.00 0.00 C ATOM 741 CG LYS A 138 70.058 0.670 -5.515 1.00 0.00 C ATOM 742 CD LYS A 138 71.317 1.352 -6.052 1.00 0.00 C ATOM 743 CE LYS A 138 70.941 2.696 -6.680 1.00 0.00 C ATOM 744 NZ LYS A 138 71.180 2.642 -8.150 1.00 0.00 N ATOM 0 H LYS A 138 66.938 1.433 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 138 68.800 -0.373 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.785 2.305 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.194 2.081 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.309 -0.306 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.350 0.499 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 138 72.034 1.503 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.801 0.715 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 138 69.894 2.923 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 138 71.532 3.496 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 70.925 3.555 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 72.185 2.444 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 70.598 1.889 -8.569 1.00 0.00 H new ATOM 758 N ASP A 139 68.742 2.247 -1.648 1.00 0.00 N ATOM 759 CA ASP A 139 69.080 2.682 -0.295 1.00 0.00 C ATOM 760 C ASP A 139 68.268 1.910 0.741 1.00 0.00 C ATOM 761 O ASP A 139 68.808 1.413 1.729 1.00 0.00 O ATOM 762 CB ASP A 139 68.801 4.177 -0.131 1.00 0.00 C ATOM 763 CG ASP A 139 69.596 4.961 -1.170 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.188 4.965 -2.319 1.00 0.00 O ATOM 765 OD2 ASP A 139 70.601 5.546 -0.801 1.00 0.00 O ATOM 0 H ASP A 139 68.312 2.965 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 139 70.141 2.487 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 139 67.735 4.374 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 139 69.076 4.501 0.873 1.00 0.00 H new ATOM 770 N GLY A 140 66.962 1.821 0.507 1.00 0.00 N ATOM 771 CA GLY A 140 66.079 1.113 1.431 1.00 0.00 C ATOM 772 C GLY A 140 66.364 -0.386 1.427 1.00 0.00 C ATOM 773 O GLY A 140 65.813 -1.137 2.233 1.00 0.00 O ATOM 0 H GLY A 140 66.495 2.225 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.210 1.508 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.040 1.289 1.152 1.00 0.00 H new ATOM 777 N ASP A 141 67.227 -0.818 0.511 1.00 0.00 N ATOM 778 CA ASP A 141 67.571 -2.234 0.416 1.00 0.00 C ATOM 779 C ASP A 141 69.018 -2.466 0.838 1.00 0.00 C ATOM 780 O ASP A 141 69.804 -3.064 0.104 1.00 0.00 O ATOM 781 CB ASP A 141 67.384 -2.739 -1.016 1.00 0.00 C ATOM 782 CG ASP A 141 67.231 -4.256 -1.004 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.777 -4.778 0.002 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.569 -4.874 -2.000 1.00 0.00 O ATOM 0 H ASP A 141 67.695 -0.217 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 141 66.907 -2.782 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.504 -2.278 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.240 -2.454 -1.628 1.00 0.00 H new ATOM 789 N LYS A 142 69.360 -1.989 2.031 1.00 0.00 N ATOM 790 CA LYS A 142 70.718 -2.154 2.541 1.00 0.00 C ATOM 791 C LYS A 142 71.160 -3.607 2.400 1.00 0.00 C ATOM 792 O LYS A 142 72.213 -3.900 1.834 1.00 0.00 O ATOM 793 CB LYS A 142 70.792 -1.752 4.015 1.00 0.00 C ATOM 794 CG LYS A 142 71.193 -0.279 4.121 1.00 0.00 C ATOM 795 CD LYS A 142 71.684 0.018 5.540 1.00 0.00 C ATOM 796 CE LYS A 142 71.525 1.511 5.832 1.00 0.00 C ATOM 797 NZ LYS A 142 71.716 1.756 7.289 1.00 0.00 N ATOM 0 H LYS A 142 68.726 -1.491 2.656 1.00 0.00 H new ATOM 0 HA LYS A 142 71.378 -1.511 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.827 -1.913 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.517 -2.376 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 142 71.977 -0.052 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 142 70.343 0.358 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 142 71.116 -0.567 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 142 72.729 -0.275 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 142 72.253 2.084 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 142 70.536 1.850 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 71.608 2.771 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 71.005 1.220 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 72.668 1.448 7.571 1.00 0.00 H new ATOM 811 N ASN A 143 70.338 -4.513 2.922 1.00 0.00 N ATOM 812 CA ASN A 143 70.646 -5.940 2.853 1.00 0.00 C ATOM 813 C ASN A 143 70.856 -6.371 1.403 1.00 0.00 C ATOM 814 O ASN A 143 71.543 -7.354 1.126 1.00 0.00 O ATOM 815 CB ASN A 143 69.509 -6.764 3.470 1.00 0.00 C ATOM 816 CG ASN A 143 68.340 -6.858 2.492 1.00 0.00 C ATOM 817 OD1 ASN A 143 67.839 -7.948 2.216 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.871 -5.769 1.945 1.00 0.00 N ATOM 0 H ASN A 143 69.462 -4.289 3.393 1.00 0.00 H new ATOM 0 HA ASN A 143 71.563 -6.117 3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 143 69.867 -7.763 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.179 -6.303 4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.091 -5.822 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 143 68.285 -4.865 2.173 1.00 0.00 H new ATOM 825 N ASN A 144 70.254 -5.623 0.482 1.00 0.00 N ATOM 826 CA ASN A 144 70.378 -5.936 -0.939 1.00 0.00 C ATOM 827 C ASN A 144 69.949 -7.375 -1.207 1.00 0.00 C ATOM 828 O ASN A 144 70.772 -8.234 -1.527 1.00 0.00 O ATOM 829 CB ASN A 144 71.824 -5.752 -1.404 1.00 0.00 C ATOM 830 CG ASN A 144 71.842 -5.421 -2.892 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.198 -4.309 -3.283 1.00 0.00 O ATOM 832 ND2 ASN A 144 71.475 -6.329 -3.755 1.00 0.00 N ATOM 0 H ASN A 144 69.682 -4.805 0.690 1.00 0.00 H new ATOM 0 HA ASN A 144 69.730 -5.255 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.300 -4.952 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.396 -6.661 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.483 -6.117 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 144 71.180 -7.250 -3.432 1.00 0.00 H new ATOM 839 N ASP A 145 68.651 -7.630 -1.067 1.00 0.00 N ATOM 840 CA ASP A 145 68.118 -8.973 -1.292 1.00 0.00 C ATOM 841 C ASP A 145 67.110 -8.968 -2.438 1.00 0.00 C ATOM 842 O ASP A 145 66.872 -9.993 -3.077 1.00 0.00 O ATOM 843 CB ASP A 145 67.431 -9.493 -0.028 1.00 0.00 C ATOM 844 CG ASP A 145 66.755 -10.826 -0.328 1.00 0.00 C ATOM 845 OD1 ASP A 145 65.727 -10.812 -0.985 1.00 0.00 O ATOM 846 OD2 ASP A 145 67.274 -11.841 0.105 1.00 0.00 O ATOM 0 H ASP A 145 67.954 -6.934 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 145 68.953 -9.625 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 145 68.162 -9.616 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.694 -8.770 0.322 1.00 0.00 H new ATOM 851 N GLY A 146 66.519 -7.803 -2.688 1.00 0.00 N ATOM 852 CA GLY A 146 65.534 -7.674 -3.759 1.00 0.00 C ATOM 853 C GLY A 146 64.234 -7.083 -3.226 1.00 0.00 C ATOM 854 O GLY A 146 63.443 -6.508 -3.973 1.00 0.00 O ATOM 0 H GLY A 146 66.702 -6.943 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.931 -7.038 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.341 -8.651 -4.202 1.00 0.00 H new ATOM 858 N ARG A 147 64.023 -7.230 -1.920 1.00 0.00 N ATOM 859 CA ARG A 147 62.816 -6.703 -1.288 1.00 0.00 C ATOM 860 C ARG A 147 63.176 -5.929 -0.024 1.00 0.00 C ATOM 861 O ARG A 147 64.300 -5.451 0.133 1.00 0.00 O ATOM 862 CB ARG A 147 61.855 -7.836 -0.917 1.00 0.00 C ATOM 863 CG ARG A 147 61.798 -8.859 -2.054 1.00 0.00 C ATOM 864 CD ARG A 147 62.201 -10.237 -1.526 1.00 0.00 C ATOM 865 NE ARG A 147 61.618 -11.294 -2.349 1.00 0.00 N ATOM 866 CZ ARG A 147 61.985 -12.562 -2.194 1.00 0.00 C ATOM 867 NH1 ARG A 147 62.880 -12.876 -1.298 1.00 0.00 N ATOM 868 NH2 ARG A 147 61.452 -13.492 -2.938 1.00 0.00 N ATOM 0 H ARG A 147 64.664 -7.704 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 147 62.329 -6.039 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 147 62.185 -8.319 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 147 60.860 -7.434 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 147 60.792 -8.898 -2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 147 62.466 -8.558 -2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 147 63.287 -10.328 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 147 61.870 -10.348 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 147 60.919 -11.055 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 147 63.297 -12.149 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 147 63.162 -13.849 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 147 60.753 -13.246 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 147 61.734 -14.465 -2.818 1.00 0.00 H new ATOM 882 N ILE A 148 62.206 -5.813 0.877 1.00 0.00 N ATOM 883 CA ILE A 148 62.422 -5.097 2.132 1.00 0.00 C ATOM 884 C ILE A 148 62.194 -6.029 3.318 1.00 0.00 C ATOM 885 O ILE A 148 61.431 -6.991 3.231 1.00 0.00 O ATOM 886 CB ILE A 148 61.463 -3.911 2.244 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.416 -3.162 0.907 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.944 -2.965 3.348 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.693 -2.337 0.731 1.00 0.00 C ATOM 0 H ILE A 148 61.270 -6.202 0.765 1.00 0.00 H new ATOM 0 HA ILE A 148 63.450 -4.735 2.141 1.00 0.00 H new ATOM 0 HB ILE A 148 60.465 -4.274 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.314 -3.871 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.543 -2.510 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.260 -2.120 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.972 -3.499 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.943 -2.602 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.655 -1.806 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.776 -1.617 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.559 -2.999 0.743 1.00 0.00 H new ATOM 901 N ASP A 149 62.861 -5.731 4.430 1.00 0.00 N ATOM 902 CA ASP A 149 62.722 -6.549 5.632 1.00 0.00 C ATOM 903 C ASP A 149 62.097 -5.733 6.760 1.00 0.00 C ATOM 904 O ASP A 149 61.932 -4.519 6.649 1.00 0.00 O ATOM 905 CB ASP A 149 64.087 -7.066 6.091 1.00 0.00 C ATOM 906 CG ASP A 149 64.670 -7.986 5.024 1.00 0.00 C ATOM 907 OD1 ASP A 149 64.079 -8.078 3.960 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.699 -8.587 5.285 1.00 0.00 O ATOM 0 H ASP A 149 63.496 -4.939 4.524 1.00 0.00 H new ATOM 0 HA ASP A 149 62.077 -7.394 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.762 -6.229 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.985 -7.604 7.034 1.00 0.00 H new ATOM 913 N TYR A 150 61.746 -6.418 7.845 1.00 0.00 N ATOM 914 CA TYR A 150 61.132 -5.751 8.991 1.00 0.00 C ATOM 915 C TYR A 150 62.125 -4.809 9.665 1.00 0.00 C ATOM 916 O TYR A 150 61.747 -3.965 10.477 1.00 0.00 O ATOM 917 CB TYR A 150 60.651 -6.780 10.016 1.00 0.00 C ATOM 918 CG TYR A 150 60.070 -6.062 11.210 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.070 -5.101 11.029 1.00 0.00 C ATOM 920 CD2 TYR A 150 60.533 -6.357 12.498 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.532 -4.433 12.135 1.00 0.00 C ATOM 922 CE2 TYR A 150 59.995 -5.690 13.605 1.00 0.00 C ATOM 923 CZ TYR A 150 58.994 -4.728 13.423 1.00 0.00 C ATOM 924 OH TYR A 150 58.464 -4.069 14.514 1.00 0.00 O ATOM 0 H TYR A 150 61.874 -7.424 7.955 1.00 0.00 H new ATOM 0 HA TYR A 150 60.282 -5.176 8.623 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.901 -7.432 9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.480 -7.415 10.327 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.713 -4.874 10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 150 61.305 -7.099 12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.761 -3.690 11.995 1.00 0.00 H new ATOM 0 HE2 TYR A 150 60.352 -5.917 14.599 1.00 0.00 H new ATOM 0 HH TYR A 150 58.894 -4.393 15.333 1.00 0.00 H new ATOM 934 N ASP A 151 63.401 -4.961 9.322 1.00 0.00 N ATOM 935 CA ASP A 151 64.440 -4.115 9.906 1.00 0.00 C ATOM 936 C ASP A 151 64.648 -2.866 9.055 1.00 0.00 C ATOM 937 O ASP A 151 64.404 -1.746 9.502 1.00 0.00 O ATOM 938 CB ASP A 151 65.766 -4.875 10.008 1.00 0.00 C ATOM 939 CG ASP A 151 65.496 -6.370 10.141 1.00 0.00 C ATOM 940 OD1 ASP A 151 64.916 -6.761 11.141 1.00 0.00 O ATOM 941 OD2 ASP A 151 65.872 -7.102 9.241 1.00 0.00 O ATOM 0 H ASP A 151 63.739 -5.652 8.652 1.00 0.00 H new ATOM 0 HA ASP A 151 64.113 -3.827 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.374 -4.683 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.333 -4.521 10.869 1.00 0.00 H new ATOM 946 N GLU A 152 65.102 -3.073 7.823 1.00 0.00 N ATOM 947 CA GLU A 152 65.341 -1.960 6.913 1.00 0.00 C ATOM 948 C GLU A 152 64.119 -1.050 6.852 1.00 0.00 C ATOM 949 O GLU A 152 64.235 0.159 6.649 1.00 0.00 O ATOM 950 CB GLU A 152 65.650 -2.482 5.511 1.00 0.00 C ATOM 951 CG GLU A 152 67.048 -3.103 5.495 1.00 0.00 C ATOM 952 CD GLU A 152 67.155 -4.091 4.339 1.00 0.00 C ATOM 953 OE1 GLU A 152 66.630 -5.185 4.470 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.761 -3.741 3.340 1.00 0.00 O ATOM 0 H GLU A 152 65.310 -3.993 7.435 1.00 0.00 H new ATOM 0 HA GLU A 152 66.193 -1.392 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.908 -3.223 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.593 -1.669 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.802 -2.323 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 152 67.242 -3.611 6.440 1.00 0.00 H new ATOM 961 N PHE A 153 62.944 -1.645 7.034 1.00 0.00 N ATOM 962 CA PHE A 153 61.700 -0.882 7.002 1.00 0.00 C ATOM 963 C PHE A 153 61.619 0.046 8.210 1.00 0.00 C ATOM 964 O PHE A 153 61.253 1.215 8.092 1.00 0.00 O ATOM 965 CB PHE A 153 60.494 -1.823 7.016 1.00 0.00 C ATOM 966 CG PHE A 153 59.232 -1.031 6.771 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.847 -0.715 5.463 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.445 -0.613 7.851 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.677 0.019 5.235 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.275 0.121 7.623 1.00 0.00 C ATOM 971 CZ PHE A 153 56.891 0.437 6.315 1.00 0.00 C ATOM 0 H PHE A 153 62.827 -2.644 7.204 1.00 0.00 H new ATOM 0 HA PHE A 153 61.688 -0.292 6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.609 -2.590 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.432 -2.338 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.453 -1.038 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.741 -0.857 8.861 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.381 0.263 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.669 0.443 8.457 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.988 1.003 6.139 1.00 0.00 H new ATOM 981 N LEU A 154 61.963 -0.495 9.374 1.00 0.00 N ATOM 982 CA LEU A 154 61.928 0.283 10.608 1.00 0.00 C ATOM 983 C LEU A 154 62.795 1.533 10.482 1.00 0.00 C ATOM 984 O LEU A 154 62.388 2.630 10.864 1.00 0.00 O ATOM 985 CB LEU A 154 62.432 -0.561 11.782 1.00 0.00 C ATOM 986 CG LEU A 154 61.276 -1.380 12.357 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.802 -2.310 13.451 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.230 -0.436 12.952 1.00 0.00 C ATOM 0 H LEU A 154 62.267 -1.462 9.489 1.00 0.00 H new ATOM 0 HA LEU A 154 60.895 0.581 10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.231 -1.224 11.450 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.853 0.084 12.553 1.00 0.00 H new ATOM 0 HG LEU A 154 60.822 -1.974 11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.977 -2.893 13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.548 -2.983 13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.256 -1.717 14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.405 -1.019 13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.685 0.157 13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.853 0.227 12.173 1.00 0.00 H new ATOM 1000 N GLU A 155 63.998 1.353 9.942 1.00 0.00 N ATOM 1001 CA GLU A 155 64.923 2.471 9.769 1.00 0.00 C ATOM 1002 C GLU A 155 64.287 3.573 8.924 1.00 0.00 C ATOM 1003 O GLU A 155 63.942 4.642 9.428 1.00 0.00 O ATOM 1004 CB GLU A 155 66.207 2.000 9.083 1.00 0.00 C ATOM 1005 CG GLU A 155 66.798 0.819 9.857 1.00 0.00 C ATOM 1006 CD GLU A 155 68.295 0.726 9.579 1.00 0.00 C ATOM 1007 OE1 GLU A 155 69.002 1.655 9.935 1.00 0.00 O ATOM 1008 OE2 GLU A 155 68.712 -0.272 9.015 1.00 0.00 O ATOM 0 H GLU A 155 64.353 0.453 9.619 1.00 0.00 H new ATOM 0 HA GLU A 155 65.158 2.864 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 155 65.995 1.705 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.928 2.816 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.623 0.947 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 155 66.304 -0.107 9.561 1.00 0.00 H new ATOM 1015 N PHE A 156 64.144 3.300 7.631 1.00 0.00 N ATOM 1016 CA PHE A 156 63.557 4.271 6.712 1.00 0.00 C ATOM 1017 C PHE A 156 62.146 4.646 7.152 1.00 0.00 C ATOM 1018 O PHE A 156 61.667 5.746 6.876 1.00 0.00 O ATOM 1019 CB PHE A 156 63.498 3.696 5.295 1.00 0.00 C ATOM 1020 CG PHE A 156 64.044 4.708 4.318 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.607 6.037 4.369 1.00 0.00 C ATOM 1022 CD2 PHE A 156 64.988 4.318 3.360 1.00 0.00 C ATOM 1023 CE1 PHE A 156 64.114 6.976 3.463 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.495 5.257 2.454 1.00 0.00 C ATOM 1025 CZ PHE A 156 65.058 6.586 2.505 1.00 0.00 C ATOM 0 H PHE A 156 64.424 2.420 7.197 1.00 0.00 H new ATOM 0 HA PHE A 156 64.186 5.161 6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.076 2.774 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.470 3.443 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.879 6.338 5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.325 3.293 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 156 63.777 8.001 3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.223 4.956 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.449 7.310 1.806 1.00 0.00 H new ATOM 1035 N MET A 157 61.483 3.718 7.835 1.00 0.00 N ATOM 1036 CA MET A 157 60.122 3.961 8.305 1.00 0.00 C ATOM 1037 C MET A 157 60.076 3.972 9.829 1.00 0.00 C ATOM 1038 O MET A 157 59.441 3.121 10.452 1.00 0.00 O ATOM 1039 CB MET A 157 59.176 2.878 7.784 1.00 0.00 C ATOM 1040 CG MET A 157 57.819 3.502 7.451 1.00 0.00 C ATOM 1041 SD MET A 157 57.938 4.414 5.891 1.00 0.00 S ATOM 1042 CE MET A 157 58.118 2.981 4.801 1.00 0.00 C ATOM 0 H MET A 157 61.860 2.801 8.074 1.00 0.00 H new ATOM 0 HA MET A 157 59.804 4.933 7.927 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.599 2.407 6.897 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.054 2.096 8.533 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.059 2.725 7.373 1.00 0.00 H new ATOM 0 HG3 MET A 157 57.508 4.172 8.253 1.00 0.00 H new ATOM 0 HE1 MET A 157 58.604 3.287 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 157 58.725 2.222 5.295 1.00 0.00 H new ATOM 0 HE3 MET A 157 57.134 2.569 4.576 1.00 0.00 H new ATOM 1052 N LYS A 158 60.756 4.949 10.422 1.00 0.00 N ATOM 1053 CA LYS A 158 60.788 5.071 11.879 1.00 0.00 C ATOM 1054 C LYS A 158 59.607 5.902 12.381 1.00 0.00 C ATOM 1055 O LYS A 158 59.703 6.584 13.401 1.00 0.00 O ATOM 1056 CB LYS A 158 62.089 5.738 12.330 1.00 0.00 C ATOM 1057 CG LYS A 158 63.009 4.690 12.962 1.00 0.00 C ATOM 1058 CD LYS A 158 63.969 5.372 13.939 1.00 0.00 C ATOM 1059 CE LYS A 158 64.588 6.603 13.275 1.00 0.00 C ATOM 1060 NZ LYS A 158 65.683 7.135 14.135 1.00 0.00 N ATOM 0 H LYS A 158 61.288 5.662 9.923 1.00 0.00 H new ATOM 0 HA LYS A 158 60.725 4.066 12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.584 6.206 11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.874 6.529 13.048 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.416 3.938 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.572 4.170 12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.436 5.664 14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.752 4.676 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.978 6.341 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 158 63.827 7.368 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 66.104 7.972 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.297 7.400 15.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 66.413 6.405 14.259 1.00 0.00 H new ATOM 1074 N GLY A 159 58.491 5.838 11.657 1.00 0.00 N ATOM 1075 CA GLY A 159 57.300 6.590 12.043 1.00 0.00 C ATOM 1076 C GLY A 159 56.866 7.530 10.924 1.00 0.00 C ATOM 1077 O GLY A 159 56.702 8.732 11.131 1.00 0.00 O ATOM 0 H GLY A 159 58.387 5.280 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.490 5.900 12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.504 7.164 12.947 1.00 0.00 H new ATOM 1081 N VAL A 160 56.679 6.968 9.733 1.00 0.00 N ATOM 1082 CA VAL A 160 56.263 7.764 8.581 1.00 0.00 C ATOM 1083 C VAL A 160 54.743 7.879 8.533 1.00 0.00 C ATOM 1084 O VAL A 160 54.026 7.083 9.140 1.00 0.00 O ATOM 1085 CB VAL A 160 56.754 7.126 7.282 1.00 0.00 C ATOM 1086 CG1 VAL A 160 56.170 7.883 6.089 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.282 7.191 7.228 1.00 0.00 C ATOM 0 H VAL A 160 56.807 5.975 9.541 1.00 0.00 H new ATOM 0 HA VAL A 160 56.700 8.757 8.685 1.00 0.00 H new ATOM 0 HB VAL A 160 56.432 6.085 7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 160 56.520 7.428 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 160 55.082 7.838 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 160 56.491 8.924 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 160 58.633 6.736 6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.603 8.232 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.699 6.651 8.078 1.00 0.00 H new ATOM 1097 N GLU A 161 54.260 8.880 7.803 1.00 0.00 N ATOM 1098 CA GLU A 161 52.822 9.095 7.678 1.00 0.00 C ATOM 1099 C GLU A 161 52.216 9.439 9.035 1.00 0.00 C ATOM 1100 O GLU A 161 51.013 9.634 9.092 1.00 0.00 O ATOM 1101 CB GLU A 161 52.137 7.840 7.130 1.00 0.00 C ATOM 1102 CG GLU A 161 51.719 8.079 5.678 1.00 0.00 C ATOM 1103 CD GLU A 161 52.556 7.198 4.756 1.00 0.00 C ATOM 1104 OE1 GLU A 161 52.746 6.040 5.088 1.00 0.00 O ATOM 1105 OE2 GLU A 161 52.994 7.695 3.732 1.00 0.00 O ATOM 1106 OXT GLU A 161 52.964 9.503 9.997 1.00 0.00 O ATOM 0 H GLU A 161 54.837 9.549 7.293 1.00 0.00 H new ATOM 0 HA GLU A 161 52.665 9.924 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.814 6.988 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.264 7.596 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.660 7.853 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.855 9.129 5.417 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.912 -7.383 -0.143 1.00 0.00 CA HETATM 1115 CA CA A 3 65.627 -4.953 2.139 1.00 0.00 CA HETATM 1116 S1 EMD A 1 62.173 1.081 1.635 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.865 1.023 -0.005 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.815 0.281 -0.251 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.272 1.699 -0.983 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.117 2.438 -0.838 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.299 2.611 0.145 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.516 1.775 1.424 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.516 0.617 1.465 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.274 3.800 0.102 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.411 4.017 1.186 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.492 5.081 1.156 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.448 5.922 0.018 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.312 5.700 -1.061 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.226 4.640 -1.019 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.441 7.065 -0.006 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.807 7.503 1.309 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.288 6.806 2.565 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.552 5.297 2.352 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.068 7.728 -1.172 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.541 7.419 -2.265 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.050 8.871 -1.150 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.428 10.147 -1.587 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.566 11.238 -1.397 1.00 0.00 C HETATM 1139 O21 EMD A 1 54.991 12.492 -1.852 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.342 11.057 -0.776 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.451 12.114 -0.565 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.958 9.782 -0.337 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.811 8.689 -0.523 1.00 0.00 C HETATM 1144 C25 EMD A 1 55.948 12.696 -2.921 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.104 11.957 -0.052 1.00 0.00 C HETATM 0 H263 EMD A 1 50.531 11.318 -0.724 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.142 11.501 0.938 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.625 12.934 0.016 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.896 12.229 -2.655 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.568 12.249 -3.840 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.101 13.764 -3.074 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.609 4.777 2.180 1.00 0.00 H new HETATM 0 H171 EMD A 1 56.993 4.868 3.252 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.204 7.285 2.912 1.00 0.00 H new HETATM 0 H161 EMD A 1 55.544 6.932 3.352 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.977 8.573 1.428 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.729 7.358 1.231 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.453 3.359 2.054 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.738 -0.084 0.660 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.592 0.104 2.424 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.505 1.005 1.340 1.00 0.00 H new HETATM 0 H6 EMD A 1 60.371 2.486 2.238 1.00 0.00 H new HETATM 0 H3 EMD A 1 62.702 1.669 -1.907 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.512 7.698 -0.181 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.993 9.642 0.150 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.392 10.293 -2.075 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.900 4.468 -1.858 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.273 6.352 -1.934 1.00 0.00 H new