USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 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 Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -89:sc= 0.497 USER MOD Single : A 103 MET CE :methyl -146:sc= -0.525 (180deg=-2.39!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.71! C(o=-1.7!,f=-12!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -147:sc= -0.0431 (180deg=-0.358) USER MOD Single : A 120 MET CE :methyl -106:sc= -3.44! (180deg=-5.08!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.853! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.688 USER MOD Single : A 137 MET CE :methyl -113:sc= -0.652 (180deg=-3.41!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -113:sc= 0.953 (180deg=-0.345) USER MOD Single : A 143 ASN : amide:sc= -3.74 K(o=-3.7,f=-8.2!) USER MOD Single : A 144 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.69) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 171:sc= -0.485 (180deg=-0.561) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 57.146 10.037 19.287 1.00 0.00 N ATOM 2 CA GLY A 91 56.222 9.988 18.157 1.00 0.00 C ATOM 3 C GLY A 91 55.993 8.550 17.709 1.00 0.00 C ATOM 4 O GLY A 91 56.862 7.929 17.097 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.272 10.442 18.438 1.00 0.00 H new ATOM 0 HA3 GLY A 91 56.622 10.573 17.329 1.00 0.00 H new ATOM 8 N LYS A 92 54.811 8.025 18.021 1.00 0.00 N ATOM 9 CA LYS A 92 54.475 6.655 17.644 1.00 0.00 C ATOM 10 C LYS A 92 55.546 5.690 18.141 1.00 0.00 C ATOM 11 O LYS A 92 56.522 6.094 18.774 1.00 0.00 O ATOM 12 CB LYS A 92 54.356 6.532 16.124 1.00 0.00 C ATOM 13 CG LYS A 92 53.317 7.532 15.614 1.00 0.00 C ATOM 14 CD LYS A 92 53.196 7.417 14.094 1.00 0.00 C ATOM 15 CE LYS A 92 52.636 6.041 13.728 1.00 0.00 C ATOM 16 NZ LYS A 92 52.601 5.898 12.246 1.00 0.00 N ATOM 0 H LYS A 92 54.078 8.520 18.528 1.00 0.00 H new ATOM 0 HA LYS A 92 53.519 6.403 18.102 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.322 6.723 15.656 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.065 5.517 15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 92 52.351 7.338 16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 92 53.607 8.546 15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 92 52.543 8.201 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 92 54.172 7.559 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 92 53.254 5.257 14.165 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.633 5.923 14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.220 4.963 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 51.994 6.638 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.564 5.993 11.865 1.00 0.00 H new ATOM 30 N SER A 93 55.353 4.408 17.847 1.00 0.00 N ATOM 31 CA SER A 93 56.309 3.388 18.269 1.00 0.00 C ATOM 32 C SER A 93 56.176 2.139 17.403 1.00 0.00 C ATOM 33 O SER A 93 55.229 2.000 16.629 1.00 0.00 O ATOM 34 CB SER A 93 56.072 3.009 19.731 1.00 0.00 C ATOM 35 OG SER A 93 54.688 3.137 20.030 1.00 0.00 O ATOM 0 H SER A 93 54.553 4.052 17.324 1.00 0.00 H new ATOM 0 HA SER A 93 57.312 3.800 18.157 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.402 1.986 19.912 1.00 0.00 H new ATOM 0 HB3 SER A 93 56.659 3.654 20.386 1.00 0.00 H new ATOM 0 HG SER A 93 54.532 2.893 20.966 1.00 0.00 H new ATOM 41 N GLU A 94 57.138 1.230 17.545 1.00 0.00 N ATOM 42 CA GLU A 94 57.125 -0.010 16.772 1.00 0.00 C ATOM 43 C GLU A 94 55.704 -0.556 16.656 1.00 0.00 C ATOM 44 O GLU A 94 55.346 -1.191 15.665 1.00 0.00 O ATOM 45 CB GLU A 94 58.009 -1.067 17.440 1.00 0.00 C ATOM 46 CG GLU A 94 59.429 -0.520 17.604 1.00 0.00 C ATOM 47 CD GLU A 94 59.849 -0.618 19.067 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.315 0.131 19.868 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.701 -1.440 19.364 1.00 0.00 O ATOM 0 H GLU A 94 57.929 1.327 18.182 1.00 0.00 H new ATOM 0 HA GLU A 94 57.511 0.213 15.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.598 -1.337 18.413 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.026 -1.975 16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.121 -1.083 16.978 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.471 0.517 17.272 1.00 0.00 H new ATOM 56 N GLU A 95 54.902 -0.304 17.686 1.00 0.00 N ATOM 57 CA GLU A 95 53.520 -0.778 17.700 1.00 0.00 C ATOM 58 C GLU A 95 52.765 -0.292 16.465 1.00 0.00 C ATOM 59 O GLU A 95 51.952 -1.018 15.894 1.00 0.00 O ATOM 60 CB GLU A 95 52.796 -0.276 18.951 1.00 0.00 C ATOM 61 CG GLU A 95 53.516 -0.790 20.199 1.00 0.00 C ATOM 62 CD GLU A 95 53.321 -2.298 20.314 1.00 0.00 C ATOM 63 OE1 GLU A 95 52.188 -2.738 20.214 1.00 0.00 O ATOM 64 OE2 GLU A 95 54.308 -2.991 20.499 1.00 0.00 O ATOM 0 H GLU A 95 55.181 0.221 18.515 1.00 0.00 H new ATOM 0 HA GLU A 95 53.544 -1.868 17.701 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.770 0.814 18.956 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.762 -0.620 18.948 1.00 0.00 H new ATOM 0 HG2 GLU A 95 54.578 -0.553 20.142 1.00 0.00 H new ATOM 0 HG3 GLU A 95 53.126 -0.293 21.087 1.00 0.00 H new ATOM 71 N GLU A 96 53.037 0.946 16.064 1.00 0.00 N ATOM 72 CA GLU A 96 52.367 1.521 14.900 1.00 0.00 C ATOM 73 C GLU A 96 53.031 1.060 13.605 1.00 0.00 C ATOM 74 O GLU A 96 52.367 0.870 12.585 1.00 0.00 O ATOM 75 CB GLU A 96 52.401 3.050 14.962 1.00 0.00 C ATOM 76 CG GLU A 96 51.117 3.561 15.619 1.00 0.00 C ATOM 77 CD GLU A 96 50.909 2.846 16.950 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.834 2.838 17.745 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.829 2.318 17.153 1.00 0.00 O ATOM 0 H GLU A 96 53.708 1.565 16.520 1.00 0.00 H new ATOM 0 HA GLU A 96 51.332 1.178 14.912 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.270 3.383 15.529 1.00 0.00 H new ATOM 0 HB3 GLU A 96 52.498 3.464 13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.180 4.637 15.778 1.00 0.00 H new ATOM 0 HG3 GLU A 96 50.265 3.386 14.962 1.00 0.00 H new ATOM 86 N LEU A 97 54.349 0.885 13.652 1.00 0.00 N ATOM 87 CA LEU A 97 55.089 0.449 12.470 1.00 0.00 C ATOM 88 C LEU A 97 54.484 -0.830 11.906 1.00 0.00 C ATOM 89 O LEU A 97 54.240 -0.940 10.704 1.00 0.00 O ATOM 90 CB LEU A 97 56.558 0.198 12.813 1.00 0.00 C ATOM 91 CG LEU A 97 57.431 1.219 12.081 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.859 1.153 12.622 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.440 0.899 10.584 1.00 0.00 C ATOM 0 H LEU A 97 54.921 1.036 14.483 1.00 0.00 H new ATOM 0 HA LEU A 97 55.025 1.242 11.725 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.711 0.278 13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.843 -0.814 12.525 1.00 0.00 H new ATOM 0 HG LEU A 97 57.029 2.220 12.239 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.480 1.881 12.100 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.855 1.378 13.688 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.262 0.153 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.062 1.625 10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.842 -0.102 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.422 0.945 10.196 1.00 0.00 H new ATOM 105 N SER A 98 54.239 -1.797 12.787 1.00 0.00 N ATOM 106 CA SER A 98 53.655 -3.064 12.361 1.00 0.00 C ATOM 107 C SER A 98 52.582 -2.812 11.310 1.00 0.00 C ATOM 108 O SER A 98 52.493 -3.519 10.306 1.00 0.00 O ATOM 109 CB SER A 98 53.031 -3.797 13.547 1.00 0.00 C ATOM 110 OG SER A 98 51.827 -3.140 13.923 1.00 0.00 O ATOM 0 H SER A 98 54.433 -1.729 13.786 1.00 0.00 H new ATOM 0 HA SER A 98 54.449 -3.681 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.826 -4.834 13.281 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.727 -3.815 14.386 1.00 0.00 H new ATOM 0 HG SER A 98 52.027 -2.442 14.581 1.00 0.00 H new ATOM 116 N ASP A 99 51.775 -1.783 11.550 1.00 0.00 N ATOM 117 CA ASP A 99 50.714 -1.428 10.616 1.00 0.00 C ATOM 118 C ASP A 99 51.323 -0.889 9.327 1.00 0.00 C ATOM 119 O ASP A 99 51.037 -1.380 8.235 1.00 0.00 O ATOM 120 CB ASP A 99 49.796 -0.367 11.225 1.00 0.00 C ATOM 121 CG ASP A 99 48.919 -1.011 12.294 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.808 -2.226 12.286 1.00 0.00 O ATOM 123 OD2 ASP A 99 48.373 -0.280 13.104 1.00 0.00 O ATOM 0 H ASP A 99 51.835 -1.186 12.375 1.00 0.00 H new ATOM 0 HA ASP A 99 50.128 -2.321 10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.389 0.437 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.174 0.081 10.450 1.00 0.00 H new ATOM 128 N LEU A 100 52.181 0.118 9.471 1.00 0.00 N ATOM 129 CA LEU A 100 52.843 0.709 8.312 1.00 0.00 C ATOM 130 C LEU A 100 53.397 -0.399 7.422 1.00 0.00 C ATOM 131 O LEU A 100 53.450 -0.271 6.199 1.00 0.00 O ATOM 132 CB LEU A 100 53.997 1.615 8.756 1.00 0.00 C ATOM 133 CG LEU A 100 53.513 3.065 8.847 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.509 3.887 9.668 1.00 0.00 C ATOM 135 CD2 LEU A 100 53.406 3.656 7.440 1.00 0.00 C ATOM 0 H LEU A 100 52.432 0.537 10.366 1.00 0.00 H new ATOM 0 HA LEU A 100 52.114 1.304 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.377 1.287 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 100 54.822 1.541 8.048 1.00 0.00 H new ATOM 0 HG LEU A 100 52.536 3.090 9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.164 4.919 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.587 3.468 10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.487 3.861 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.061 4.688 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 100 54.384 3.629 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 100 52.697 3.073 6.853 1.00 0.00 H new ATOM 147 N PHE A 101 53.806 -1.491 8.063 1.00 0.00 N ATOM 148 CA PHE A 101 54.358 -2.637 7.345 1.00 0.00 C ATOM 149 C PHE A 101 53.257 -3.384 6.596 1.00 0.00 C ATOM 150 O PHE A 101 53.427 -3.772 5.441 1.00 0.00 O ATOM 151 CB PHE A 101 55.032 -3.599 8.325 1.00 0.00 C ATOM 152 CG PHE A 101 55.858 -4.606 7.561 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.228 -5.572 6.767 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.255 -4.576 7.650 1.00 0.00 C ATOM 155 CE1 PHE A 101 55.995 -6.507 6.062 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.022 -5.511 6.945 1.00 0.00 C ATOM 157 CZ PHE A 101 57.392 -6.476 6.151 1.00 0.00 C ATOM 0 H PHE A 101 53.766 -1.607 9.076 1.00 0.00 H new ATOM 0 HA PHE A 101 55.092 -2.265 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.666 -3.044 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.279 -4.111 8.924 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.150 -5.596 6.698 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.741 -3.831 8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 101 55.509 -7.252 5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.100 -5.488 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 101 57.984 -7.197 5.607 1.00 0.00 H new ATOM 167 N ARG A 102 52.127 -3.584 7.270 1.00 0.00 N ATOM 168 CA ARG A 102 51.005 -4.291 6.659 1.00 0.00 C ATOM 169 C ARG A 102 50.410 -3.467 5.524 1.00 0.00 C ATOM 170 O ARG A 102 50.350 -3.913 4.378 1.00 0.00 O ATOM 171 CB ARG A 102 49.915 -4.572 7.696 1.00 0.00 C ATOM 172 CG ARG A 102 48.717 -5.232 7.010 1.00 0.00 C ATOM 173 CD ARG A 102 47.803 -5.862 8.063 1.00 0.00 C ATOM 174 NE ARG A 102 46.669 -6.527 7.426 1.00 0.00 N ATOM 175 CZ ARG A 102 45.831 -7.285 8.130 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.018 -7.450 9.411 1.00 0.00 N ATOM 177 NH2 ARG A 102 44.822 -7.863 7.539 1.00 0.00 N ATOM 0 H ARG A 102 51.965 -3.271 8.227 1.00 0.00 H new ATOM 0 HA ARG A 102 51.380 -5.235 6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.303 -5.223 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.607 -3.643 8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.165 -4.492 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.061 -5.994 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.366 -6.581 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.444 -5.094 8.747 1.00 0.00 H new ATOM 0 HE ARG A 102 46.517 -6.409 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.807 -6.998 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 102 45.375 -8.031 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 102 44.675 -7.734 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 102 44.180 -8.444 8.078 1.00 0.00 H new ATOM 191 N MET A 103 49.972 -2.256 5.854 1.00 0.00 N ATOM 192 CA MET A 103 49.384 -1.374 4.852 1.00 0.00 C ATOM 193 C MET A 103 50.237 -1.374 3.588 1.00 0.00 C ATOM 194 O MET A 103 49.727 -1.251 2.475 1.00 0.00 O ATOM 195 CB MET A 103 49.280 0.053 5.389 1.00 0.00 C ATOM 196 CG MET A 103 50.656 0.531 5.855 1.00 0.00 C ATOM 197 SD MET A 103 50.718 2.339 5.789 1.00 0.00 S ATOM 198 CE MET A 103 50.500 2.510 4.001 1.00 0.00 C ATOM 0 H MET A 103 50.012 -1.866 6.796 1.00 0.00 H new ATOM 0 HA MET A 103 48.385 -1.742 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 103 48.897 0.717 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 103 48.572 0.089 6.217 1.00 0.00 H new ATOM 0 HG2 MET A 103 50.848 0.186 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 103 51.435 0.106 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 103 51.068 3.370 3.646 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.857 1.608 3.503 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.444 2.655 3.776 1.00 0.00 H new ATOM 208 N PHE A 104 51.545 -1.520 3.778 1.00 0.00 N ATOM 209 CA PHE A 104 52.475 -1.544 2.653 1.00 0.00 C ATOM 210 C PHE A 104 52.313 -2.842 1.868 1.00 0.00 C ATOM 211 O PHE A 104 52.312 -2.846 0.637 1.00 0.00 O ATOM 212 CB PHE A 104 53.919 -1.431 3.152 1.00 0.00 C ATOM 213 CG PHE A 104 54.691 -0.484 2.262 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.733 -0.700 0.880 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.365 0.609 2.821 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.449 0.176 0.055 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.081 1.485 1.996 1.00 0.00 C ATOM 218 CZ PHE A 104 56.123 1.269 0.613 1.00 0.00 C ATOM 0 H PHE A 104 51.983 -1.623 4.693 1.00 0.00 H new ATOM 0 HA PHE A 104 52.253 -0.696 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 104 53.932 -1.071 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.392 -2.413 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.213 -1.543 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.333 0.776 3.888 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.481 0.009 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.601 2.328 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.675 1.945 -0.023 1.00 0.00 H new ATOM 228 N ASP A 105 52.166 -3.945 2.598 1.00 0.00 N ATOM 229 CA ASP A 105 51.991 -5.247 1.961 1.00 0.00 C ATOM 230 C ASP A 105 50.627 -5.315 1.284 1.00 0.00 C ATOM 231 O ASP A 105 49.595 -5.428 1.945 1.00 0.00 O ATOM 232 CB ASP A 105 52.091 -6.370 2.994 1.00 0.00 C ATOM 233 CG ASP A 105 52.759 -7.584 2.360 1.00 0.00 C ATOM 234 OD1 ASP A 105 52.939 -7.574 1.153 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.081 -8.508 3.089 1.00 0.00 O ATOM 0 H ASP A 105 52.164 -3.964 3.618 1.00 0.00 H new ATOM 0 HA ASP A 105 52.780 -5.372 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 105 52.666 -6.035 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.098 -6.635 3.356 1.00 0.00 H new ATOM 240 N LYS A 106 50.634 -5.234 -0.041 1.00 0.00 N ATOM 241 CA LYS A 106 49.389 -5.274 -0.803 1.00 0.00 C ATOM 242 C LYS A 106 48.889 -6.708 -0.960 1.00 0.00 C ATOM 243 O LYS A 106 47.763 -6.939 -1.401 1.00 0.00 O ATOM 244 CB LYS A 106 49.595 -4.661 -2.187 1.00 0.00 C ATOM 245 CG LYS A 106 49.756 -3.146 -2.051 1.00 0.00 C ATOM 246 CD LYS A 106 48.441 -2.534 -1.565 1.00 0.00 C ATOM 247 CE LYS A 106 47.286 -3.073 -2.411 1.00 0.00 C ATOM 248 NZ LYS A 106 46.282 -1.994 -2.627 1.00 0.00 N ATOM 0 H LYS A 106 51.478 -5.141 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 106 48.644 -4.698 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 106 50.478 -5.091 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.745 -4.892 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.557 -2.917 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.039 -2.712 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.281 -2.776 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 106 48.484 -1.447 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 106 47.660 -3.433 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 106 46.821 -3.922 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 45.497 -2.360 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 45.917 -1.671 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 46.730 -1.196 -3.121 1.00 0.00 H new ATOM 262 N ASN A 107 49.734 -7.670 -0.597 1.00 0.00 N ATOM 263 CA ASN A 107 49.353 -9.078 -0.708 1.00 0.00 C ATOM 264 C ASN A 107 49.376 -9.756 0.661 1.00 0.00 C ATOM 265 O ASN A 107 48.765 -10.806 0.860 1.00 0.00 O ATOM 266 CB ASN A 107 50.303 -9.820 -1.658 1.00 0.00 C ATOM 267 CG ASN A 107 51.612 -10.145 -0.942 1.00 0.00 C ATOM 268 OD1 ASN A 107 51.645 -10.994 -0.051 1.00 0.00 O ATOM 269 ND2 ASN A 107 52.704 -9.515 -1.283 1.00 0.00 N ATOM 0 H ASN A 107 50.671 -7.507 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 107 48.340 -9.118 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 107 49.834 -10.739 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 107 50.503 -9.207 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 107 53.583 -9.727 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 107 52.678 -8.811 -2.021 1.00 0.00 H new ATOM 276 N ALA A 108 50.092 -9.145 1.601 1.00 0.00 N ATOM 277 CA ALA A 108 50.194 -9.699 2.948 1.00 0.00 C ATOM 278 C ALA A 108 51.030 -10.974 2.930 1.00 0.00 C ATOM 279 O ALA A 108 50.508 -12.080 3.076 1.00 0.00 O ATOM 280 CB ALA A 108 48.806 -10.020 3.507 1.00 0.00 C ATOM 0 H ALA A 108 50.605 -8.275 1.458 1.00 0.00 H new ATOM 0 HA ALA A 108 50.673 -8.954 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.905 -10.432 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.209 -9.109 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.314 -10.749 2.863 1.00 0.00 H new ATOM 286 N ASP A 109 52.336 -10.806 2.745 1.00 0.00 N ATOM 287 CA ASP A 109 53.245 -11.947 2.704 1.00 0.00 C ATOM 288 C ASP A 109 54.240 -11.877 3.858 1.00 0.00 C ATOM 289 O ASP A 109 54.803 -12.890 4.274 1.00 0.00 O ATOM 290 CB ASP A 109 54.018 -11.966 1.384 1.00 0.00 C ATOM 291 CG ASP A 109 54.640 -10.595 1.139 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.769 -9.846 2.093 1.00 0.00 O ATOM 293 OD2 ASP A 109 54.977 -10.315 0.001 1.00 0.00 O ATOM 0 H ASP A 109 52.786 -9.899 2.622 1.00 0.00 H new ATOM 0 HA ASP A 109 52.649 -12.856 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 109 54.795 -12.729 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.350 -12.226 0.563 1.00 0.00 H new ATOM 298 N GLY A 110 54.450 -10.667 4.369 1.00 0.00 N ATOM 299 CA GLY A 110 55.380 -10.469 5.477 1.00 0.00 C ATOM 300 C GLY A 110 56.634 -9.735 5.011 1.00 0.00 C ATOM 301 O GLY A 110 57.534 -9.454 5.803 1.00 0.00 O ATOM 0 H GLY A 110 53.994 -9.817 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 110 54.893 -9.899 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 110 55.656 -11.434 5.903 1.00 0.00 H new ATOM 305 N TYR A 111 56.687 -9.427 3.717 1.00 0.00 N ATOM 306 CA TYR A 111 57.840 -8.727 3.159 1.00 0.00 C ATOM 307 C TYR A 111 57.420 -7.856 1.979 1.00 0.00 C ATOM 308 O TYR A 111 56.620 -8.267 1.139 1.00 0.00 O ATOM 309 CB TYR A 111 58.894 -9.728 2.684 1.00 0.00 C ATOM 310 CG TYR A 111 59.581 -10.340 3.879 1.00 0.00 C ATOM 311 CD1 TYR A 111 58.944 -11.347 4.614 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.857 -9.901 4.253 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.583 -11.915 5.723 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.496 -10.470 5.361 1.00 0.00 C ATOM 315 CZ TYR A 111 60.859 -11.477 6.096 1.00 0.00 C ATOM 316 OH TYR A 111 61.489 -12.037 7.189 1.00 0.00 O ATOM 0 H TYR A 111 55.954 -9.648 3.043 1.00 0.00 H new ATOM 0 HA TYR A 111 58.260 -8.098 3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.426 -10.507 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.624 -9.229 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 111 57.960 -11.686 4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.348 -9.124 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.091 -12.691 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.481 -10.132 5.649 1.00 0.00 H new ATOM 0 HH TYR A 111 62.368 -11.620 7.309 1.00 0.00 H new ATOM 326 N ILE A 112 57.976 -6.649 1.923 1.00 0.00 N ATOM 327 CA ILE A 112 57.658 -5.728 0.837 1.00 0.00 C ATOM 328 C ILE A 112 58.772 -5.736 -0.202 1.00 0.00 C ATOM 329 O ILE A 112 59.953 -5.832 0.130 1.00 0.00 O ATOM 330 CB ILE A 112 57.482 -4.303 1.367 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.187 -4.220 2.176 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.413 -3.319 0.193 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.505 -3.781 3.606 1.00 0.00 C ATOM 0 H ILE A 112 58.641 -6.289 2.608 1.00 0.00 H new ATOM 0 HA ILE A 112 56.725 -6.057 0.380 1.00 0.00 H new ATOM 0 HB ILE A 112 58.329 -4.047 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.500 -3.512 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.688 -5.189 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.288 -2.306 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.335 -3.378 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.567 -3.573 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 112 55.582 -3.722 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.176 -4.505 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 112 56.985 -2.802 3.588 1.00 0.00 H new ATOM 345 N ASP A 113 58.378 -5.633 -1.464 1.00 0.00 N ATOM 346 CA ASP A 113 59.344 -5.626 -2.555 1.00 0.00 C ATOM 347 C ASP A 113 59.023 -4.499 -3.529 1.00 0.00 C ATOM 348 O ASP A 113 57.953 -3.894 -3.470 1.00 0.00 O ATOM 349 CB ASP A 113 59.317 -6.960 -3.304 1.00 0.00 C ATOM 350 CG ASP A 113 57.950 -7.152 -3.950 1.00 0.00 C ATOM 351 OD1 ASP A 113 57.067 -6.360 -3.667 1.00 0.00 O ATOM 352 OD2 ASP A 113 57.806 -8.089 -4.717 1.00 0.00 O ATOM 0 H ASP A 113 57.404 -5.554 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 113 60.337 -5.473 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 113 60.097 -6.978 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.525 -7.780 -2.616 1.00 0.00 H new ATOM 357 N LEU A 114 59.963 -4.223 -4.425 1.00 0.00 N ATOM 358 CA LEU A 114 59.769 -3.163 -5.408 1.00 0.00 C ATOM 359 C LEU A 114 58.378 -3.256 -6.027 1.00 0.00 C ATOM 360 O LEU A 114 57.716 -2.245 -6.259 1.00 0.00 O ATOM 361 CB LEU A 114 60.814 -3.266 -6.517 1.00 0.00 C ATOM 362 CG LEU A 114 61.890 -2.204 -6.300 1.00 0.00 C ATOM 363 CD1 LEU A 114 63.048 -2.453 -7.266 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.298 -0.816 -6.559 1.00 0.00 C ATOM 0 H LEU A 114 60.856 -4.711 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 114 59.875 -2.207 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.263 -4.259 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.343 -3.128 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 114 62.253 -2.257 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 114 63.818 -1.697 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 114 63.469 -3.441 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.684 -2.399 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 114 62.066 -0.058 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 114 60.936 -0.761 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.470 -0.639 -5.872 1.00 0.00 H new ATOM 376 N GLU A 115 57.944 -4.486 -6.290 1.00 0.00 N ATOM 377 CA GLU A 115 56.628 -4.708 -6.883 1.00 0.00 C ATOM 378 C GLU A 115 55.548 -4.031 -6.046 1.00 0.00 C ATOM 379 O GLU A 115 54.524 -3.588 -6.566 1.00 0.00 O ATOM 380 CB GLU A 115 56.327 -6.205 -6.970 1.00 0.00 C ATOM 381 CG GLU A 115 56.692 -6.721 -8.363 1.00 0.00 C ATOM 382 CD GLU A 115 55.417 -7.036 -9.139 1.00 0.00 C ATOM 383 OE1 GLU A 115 54.706 -7.939 -8.729 1.00 0.00 O ATOM 384 OE2 GLU A 115 55.171 -6.370 -10.131 1.00 0.00 O ATOM 0 H GLU A 115 58.477 -5.336 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 115 56.632 -4.281 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.893 -6.745 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 115 55.271 -6.386 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 115 57.280 -5.974 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.311 -7.615 -8.281 1.00 0.00 H new ATOM 391 N GLU A 116 55.792 -3.955 -4.741 1.00 0.00 N ATOM 392 CA GLU A 116 54.837 -3.330 -3.833 1.00 0.00 C ATOM 393 C GLU A 116 55.087 -1.828 -3.754 1.00 0.00 C ATOM 394 O GLU A 116 54.199 -1.052 -3.399 1.00 0.00 O ATOM 395 CB GLU A 116 54.957 -3.933 -2.433 1.00 0.00 C ATOM 396 CG GLU A 116 54.369 -5.345 -2.435 1.00 0.00 C ATOM 397 CD GLU A 116 54.999 -6.163 -1.313 1.00 0.00 C ATOM 398 OE1 GLU A 116 56.071 -6.702 -1.530 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.399 -6.239 -0.254 1.00 0.00 O ATOM 0 H GLU A 116 56.634 -4.315 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 116 53.834 -3.511 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 116 56.003 -3.963 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.431 -3.309 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.288 -5.300 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.553 -5.825 -3.396 1.00 0.00 H new ATOM 406 N LEU A 117 56.308 -1.426 -4.092 1.00 0.00 N ATOM 407 CA LEU A 117 56.672 -0.013 -4.060 1.00 0.00 C ATOM 408 C LEU A 117 55.940 0.748 -5.161 1.00 0.00 C ATOM 409 O LEU A 117 55.049 1.553 -4.892 1.00 0.00 O ATOM 410 CB LEU A 117 58.180 0.158 -4.259 1.00 0.00 C ATOM 411 CG LEU A 117 58.843 0.453 -2.913 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.414 -0.841 -2.330 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.976 1.464 -3.113 1.00 0.00 C ATOM 0 H LEU A 117 57.057 -2.052 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 117 56.387 0.385 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.605 -0.746 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.375 0.971 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 117 58.103 0.865 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.887 -0.630 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.609 -1.562 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.154 -1.254 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.449 1.675 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.715 1.051 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.571 2.387 -3.528 1.00 0.00 H new ATOM 425 N LYS A 118 56.330 0.483 -6.405 1.00 0.00 N ATOM 426 CA LYS A 118 55.709 1.148 -7.548 1.00 0.00 C ATOM 427 C LYS A 118 54.203 1.279 -7.342 1.00 0.00 C ATOM 428 O LYS A 118 53.638 2.365 -7.465 1.00 0.00 O ATOM 429 CB LYS A 118 55.966 0.358 -8.832 1.00 0.00 C ATOM 430 CG LYS A 118 57.425 0.530 -9.256 1.00 0.00 C ATOM 431 CD LYS A 118 57.871 -0.698 -10.052 1.00 0.00 C ATOM 432 CE LYS A 118 58.743 -1.592 -9.169 1.00 0.00 C ATOM 433 NZ LYS A 118 58.574 -3.013 -9.584 1.00 0.00 N ATOM 0 H LYS A 118 57.066 -0.181 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 118 56.151 2.141 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.745 -0.697 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 118 55.303 0.706 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 118 57.536 1.429 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 118 58.058 0.657 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 118 57.001 -1.253 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 118 58.428 -0.388 -10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 118 59.789 -1.298 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.464 -1.472 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.660 -3.630 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.635 -3.140 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 59.308 -3.262 -10.277 1.00 0.00 H new ATOM 447 N ILE A 119 53.559 0.159 -7.029 1.00 0.00 N ATOM 448 CA ILE A 119 52.116 0.158 -6.809 1.00 0.00 C ATOM 449 C ILE A 119 51.715 1.335 -5.925 1.00 0.00 C ATOM 450 O ILE A 119 50.946 2.205 -6.334 1.00 0.00 O ATOM 451 CB ILE A 119 51.679 -1.146 -6.137 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.784 -2.295 -7.142 1.00 0.00 C ATOM 453 CG2 ILE A 119 50.230 -1.023 -5.659 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.279 -3.587 -6.497 1.00 0.00 C ATOM 0 H ILE A 119 54.007 -0.751 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 119 51.624 0.247 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 119 52.325 -1.344 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 119 51.198 -2.068 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.818 -2.417 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.924 -1.954 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.151 -0.205 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.581 -0.822 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.354 -4.405 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.884 -3.816 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.239 -3.462 -6.197 1.00 0.00 H new ATOM 466 N MET A 120 52.247 1.348 -4.707 1.00 0.00 N ATOM 467 CA MET A 120 51.942 2.419 -3.762 1.00 0.00 C ATOM 468 C MET A 120 51.955 3.776 -4.459 1.00 0.00 C ATOM 469 O MET A 120 51.025 4.570 -4.317 1.00 0.00 O ATOM 470 CB MET A 120 52.968 2.435 -2.627 1.00 0.00 C ATOM 471 CG MET A 120 52.397 3.199 -1.431 1.00 0.00 C ATOM 472 SD MET A 120 53.328 2.766 0.060 1.00 0.00 S ATOM 473 CE MET A 120 53.784 4.450 0.541 1.00 0.00 C ATOM 0 H MET A 120 52.886 0.636 -4.352 1.00 0.00 H new ATOM 0 HA MET A 120 50.948 2.232 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.218 1.415 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 120 53.892 2.905 -2.965 1.00 0.00 H new ATOM 0 HG2 MET A 120 52.455 4.273 -1.610 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.343 2.954 -1.299 1.00 0.00 H new ATOM 0 HE1 MET A 120 54.840 4.616 0.327 1.00 0.00 H new ATOM 0 HE2 MET A 120 53.183 5.164 -0.021 1.00 0.00 H new ATOM 0 HE3 MET A 120 53.605 4.585 1.608 1.00 0.00 H new ATOM 483 N LEU A 121 53.022 4.036 -5.208 1.00 0.00 N ATOM 484 CA LEU A 121 53.150 5.306 -5.918 1.00 0.00 C ATOM 485 C LEU A 121 52.018 5.480 -6.928 1.00 0.00 C ATOM 486 O LEU A 121 51.116 6.294 -6.736 1.00 0.00 O ATOM 487 CB LEU A 121 54.492 5.379 -6.654 1.00 0.00 C ATOM 488 CG LEU A 121 55.625 4.960 -5.713 1.00 0.00 C ATOM 489 CD1 LEU A 121 56.965 5.390 -6.310 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.440 5.631 -4.349 1.00 0.00 C ATOM 0 H LEU A 121 53.803 3.393 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 121 53.097 6.105 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.473 4.728 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.664 6.393 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 121 55.608 3.877 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.773 5.093 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.102 4.912 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 121 56.977 6.473 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.248 5.330 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 121 55.455 6.714 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.485 5.327 -3.921 1.00 0.00 H new ATOM 502 N GLN A 122 52.083 4.708 -8.009 1.00 0.00 N ATOM 503 CA GLN A 122 51.067 4.783 -9.056 1.00 0.00 C ATOM 504 C GLN A 122 49.672 4.941 -8.456 1.00 0.00 C ATOM 505 O GLN A 122 48.779 5.521 -9.074 1.00 0.00 O ATOM 506 CB GLN A 122 51.097 3.519 -9.919 1.00 0.00 C ATOM 507 CG GLN A 122 52.190 3.653 -10.980 1.00 0.00 C ATOM 508 CD GLN A 122 52.083 2.499 -11.972 1.00 0.00 C ATOM 509 OE1 GLN A 122 51.758 2.706 -13.141 1.00 0.00 O ATOM 510 NE2 GLN A 122 52.338 1.284 -11.571 1.00 0.00 N ATOM 0 H GLN A 122 52.823 4.028 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 122 51.291 5.655 -9.671 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.285 2.645 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.129 3.368 -10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 122 52.090 4.605 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 122 53.172 3.650 -10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 122 52.607 1.113 -10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 122 52.268 0.505 -12.226 1.00 0.00 H new ATOM 519 N ALA A 123 49.489 4.413 -7.249 1.00 0.00 N ATOM 520 CA ALA A 123 48.191 4.499 -6.584 1.00 0.00 C ATOM 521 C ALA A 123 48.042 5.828 -5.849 1.00 0.00 C ATOM 522 O ALA A 123 46.951 6.393 -5.778 1.00 0.00 O ATOM 523 CB ALA A 123 48.023 3.356 -5.582 1.00 0.00 C ATOM 0 H ALA A 123 50.211 3.927 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 123 47.422 4.426 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.050 3.437 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.089 2.402 -6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.809 3.413 -4.830 1.00 0.00 H new ATOM 529 N THR A 124 49.149 6.321 -5.300 1.00 0.00 N ATOM 530 CA THR A 124 49.122 7.585 -4.569 1.00 0.00 C ATOM 531 C THR A 124 50.143 8.562 -5.144 1.00 0.00 C ATOM 532 O THR A 124 49.790 9.635 -5.633 1.00 0.00 O ATOM 533 CB THR A 124 49.427 7.353 -3.087 1.00 0.00 C ATOM 534 OG1 THR A 124 50.833 7.331 -2.887 1.00 0.00 O ATOM 535 CG2 THR A 124 48.826 6.018 -2.648 1.00 0.00 C ATOM 0 H THR A 124 50.064 5.872 -5.346 1.00 0.00 H new ATOM 0 HA THR A 124 48.123 8.009 -4.671 1.00 0.00 H new ATOM 0 HB THR A 124 48.992 8.159 -2.496 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.026 7.184 -1.938 1.00 0.00 H new ATOM 0 HG21 THR A 124 49.042 5.851 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 124 47.747 6.038 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 124 49.260 5.212 -3.239 1.00 0.00 H new ATOM 543 N GLY A 125 51.415 8.179 -5.079 1.00 0.00 N ATOM 544 CA GLY A 125 52.483 9.029 -5.596 1.00 0.00 C ATOM 545 C GLY A 125 52.725 8.752 -7.075 1.00 0.00 C ATOM 546 O GLY A 125 53.868 8.685 -7.529 1.00 0.00 O ATOM 0 H GLY A 125 51.729 7.295 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 125 52.220 10.077 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 125 53.400 8.852 -5.033 1.00 0.00 H new ATOM 550 N GLU A 126 51.636 8.593 -7.822 1.00 0.00 N ATOM 551 CA GLU A 126 51.741 8.323 -9.253 1.00 0.00 C ATOM 552 C GLU A 126 52.685 9.322 -9.918 1.00 0.00 C ATOM 553 O GLU A 126 53.455 8.970 -10.811 1.00 0.00 O ATOM 554 CB GLU A 126 50.365 8.415 -9.918 1.00 0.00 C ATOM 555 CG GLU A 126 49.535 9.502 -9.231 1.00 0.00 C ATOM 556 CD GLU A 126 48.682 10.223 -10.268 1.00 0.00 C ATOM 557 OE1 GLU A 126 48.015 9.546 -11.033 1.00 0.00 O ATOM 558 OE2 GLU A 126 48.706 11.443 -10.282 1.00 0.00 O ATOM 0 H GLU A 126 50.682 8.646 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 126 52.136 7.315 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 126 50.477 8.644 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 126 49.853 7.455 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.898 9.059 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.191 10.212 -8.728 1.00 0.00 H new ATOM 565 N THR A 127 52.615 10.573 -9.470 1.00 0.00 N ATOM 566 CA THR A 127 53.467 11.624 -10.026 1.00 0.00 C ATOM 567 C THR A 127 54.927 11.383 -9.650 1.00 0.00 C ATOM 568 O THR A 127 55.528 12.159 -8.908 1.00 0.00 O ATOM 569 CB THR A 127 53.038 12.996 -9.500 1.00 0.00 C ATOM 570 OG1 THR A 127 51.732 12.901 -8.948 1.00 0.00 O ATOM 571 CG2 THR A 127 53.036 14.009 -10.646 1.00 0.00 C ATOM 0 H THR A 127 51.984 10.883 -8.731 1.00 0.00 H new ATOM 0 HA THR A 127 53.362 11.602 -11.111 1.00 0.00 H new ATOM 0 HB THR A 127 53.737 13.325 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 127 51.456 13.778 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 127 52.730 14.985 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 127 54.038 14.081 -11.069 1.00 0.00 H new ATOM 0 HG23 THR A 127 52.339 13.684 -11.418 1.00 0.00 H new ATOM 579 N ILE A 128 55.489 10.298 -10.173 1.00 0.00 N ATOM 580 CA ILE A 128 56.880 9.959 -9.888 1.00 0.00 C ATOM 581 C ILE A 128 57.517 9.281 -11.098 1.00 0.00 C ATOM 582 O ILE A 128 56.828 8.701 -11.937 1.00 0.00 O ATOM 583 CB ILE A 128 56.965 9.024 -8.678 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.679 9.823 -7.402 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.364 8.405 -8.592 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.888 10.697 -7.060 1.00 0.00 C ATOM 0 H ILE A 128 55.009 9.644 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 128 57.418 10.881 -9.666 1.00 0.00 H new ATOM 0 HB ILE A 128 56.230 8.226 -8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.795 10.446 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.463 9.144 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.416 7.741 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.567 7.836 -9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.106 9.196 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.682 11.264 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 128 58.761 10.064 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.083 11.386 -7.882 1.00 0.00 H new ATOM 598 N THR A 129 58.842 9.363 -11.178 1.00 0.00 N ATOM 599 CA THR A 129 59.567 8.755 -12.289 1.00 0.00 C ATOM 600 C THR A 129 60.312 7.509 -11.822 1.00 0.00 C ATOM 601 O THR A 129 59.932 6.871 -10.840 1.00 0.00 O ATOM 602 CB THR A 129 60.573 9.747 -12.876 1.00 0.00 C ATOM 603 OG1 THR A 129 61.122 9.212 -14.072 1.00 0.00 O ATOM 604 CG2 THR A 129 61.693 9.996 -11.865 1.00 0.00 C ATOM 0 H THR A 129 59.430 9.839 -10.494 1.00 0.00 H new ATOM 0 HA THR A 129 58.841 8.478 -13.053 1.00 0.00 H new ATOM 0 HB THR A 129 60.069 10.688 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.765 9.848 -14.450 1.00 0.00 H new ATOM 0 HG21 THR A 129 62.410 10.703 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 129 61.271 10.407 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 129 62.198 9.056 -11.642 1.00 0.00 H new ATOM 612 N GLU A 130 61.380 7.171 -12.539 1.00 0.00 N ATOM 613 CA GLU A 130 62.177 5.998 -12.192 1.00 0.00 C ATOM 614 C GLU A 130 63.336 6.394 -11.283 1.00 0.00 C ATOM 615 O GLU A 130 64.426 5.828 -11.360 1.00 0.00 O ATOM 616 CB GLU A 130 62.735 5.341 -13.455 1.00 0.00 C ATOM 617 CG GLU A 130 61.684 4.402 -14.050 1.00 0.00 C ATOM 618 CD GLU A 130 61.530 4.689 -15.540 1.00 0.00 C ATOM 619 OE1 GLU A 130 62.502 4.524 -16.258 1.00 0.00 O ATOM 620 OE2 GLU A 130 60.443 5.071 -15.941 1.00 0.00 O ATOM 0 H GLU A 130 61.711 7.686 -13.355 1.00 0.00 H new ATOM 0 HA GLU A 130 61.531 5.292 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 130 63.010 6.104 -14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 130 63.642 4.785 -13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.980 3.364 -13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 130 60.729 4.539 -13.542 1.00 0.00 H new ATOM 627 N ASP A 131 63.085 7.375 -10.421 1.00 0.00 N ATOM 628 CA ASP A 131 64.112 7.848 -9.496 1.00 0.00 C ATOM 629 C ASP A 131 63.747 7.474 -8.063 1.00 0.00 C ATOM 630 O ASP A 131 64.578 6.970 -7.306 1.00 0.00 O ATOM 631 CB ASP A 131 64.260 9.368 -9.591 1.00 0.00 C ATOM 632 CG ASP A 131 65.392 9.712 -10.553 1.00 0.00 C ATOM 633 OD1 ASP A 131 66.465 9.152 -10.399 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.170 10.532 -11.429 1.00 0.00 O ATOM 0 H ASP A 131 62.188 7.855 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 131 65.055 7.375 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.327 9.814 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.467 9.786 -8.606 1.00 0.00 H new ATOM 639 N ASP A 132 62.493 7.726 -7.700 1.00 0.00 N ATOM 640 CA ASP A 132 62.022 7.413 -6.353 1.00 0.00 C ATOM 641 C ASP A 132 61.831 5.907 -6.188 1.00 0.00 C ATOM 642 O ASP A 132 61.590 5.416 -5.086 1.00 0.00 O ATOM 643 CB ASP A 132 60.692 8.116 -6.073 1.00 0.00 C ATOM 644 CG ASP A 132 60.926 9.293 -5.131 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.451 9.069 -4.053 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.574 10.401 -5.501 1.00 0.00 O ATOM 0 H ASP A 132 61.790 8.142 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 132 62.774 7.763 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.250 8.466 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 132 59.985 7.416 -5.628 1.00 0.00 H new ATOM 651 N ILE A 133 61.938 5.178 -7.297 1.00 0.00 N ATOM 652 CA ILE A 133 61.773 3.728 -7.261 1.00 0.00 C ATOM 653 C ILE A 133 63.100 3.044 -6.944 1.00 0.00 C ATOM 654 O ILE A 133 63.259 2.419 -5.896 1.00 0.00 O ATOM 655 CB ILE A 133 61.259 3.213 -8.606 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.853 3.762 -8.859 1.00 0.00 C ATOM 657 CG2 ILE A 133 61.210 1.685 -8.583 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.333 3.236 -10.199 1.00 0.00 C ATOM 0 H ILE A 133 62.136 5.562 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 133 61.049 3.495 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 133 61.928 3.544 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 133 59.183 3.461 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.873 4.852 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.844 1.318 -9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 133 62.210 1.292 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.541 1.354 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.332 3.627 -10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.998 3.559 -11.000 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.298 2.147 -10.174 1.00 0.00 H new ATOM 670 N GLU A 134 64.050 3.167 -7.868 1.00 0.00 N ATOM 671 CA GLU A 134 65.364 2.553 -7.687 1.00 0.00 C ATOM 672 C GLU A 134 66.135 3.245 -6.566 1.00 0.00 C ATOM 673 O GLU A 134 66.738 2.593 -5.714 1.00 0.00 O ATOM 674 CB GLU A 134 66.177 2.643 -8.980 1.00 0.00 C ATOM 675 CG GLU A 134 66.722 1.260 -9.341 1.00 0.00 C ATOM 676 CD GLU A 134 66.638 1.060 -10.850 1.00 0.00 C ATOM 677 OE1 GLU A 134 65.705 1.574 -11.445 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.508 0.396 -11.390 1.00 0.00 O ATOM 0 H GLU A 134 63.937 3.681 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 134 65.210 1.507 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.552 3.021 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.999 3.348 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 134 67.756 1.166 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 134 66.150 0.487 -8.828 1.00 0.00 H new ATOM 685 N GLU A 135 66.112 4.575 -6.578 1.00 0.00 N ATOM 686 CA GLU A 135 66.816 5.348 -5.558 1.00 0.00 C ATOM 687 C GLU A 135 66.243 5.052 -4.176 1.00 0.00 C ATOM 688 O GLU A 135 66.918 4.486 -3.315 1.00 0.00 O ATOM 689 CB GLU A 135 66.694 6.848 -5.840 1.00 0.00 C ATOM 690 CG GLU A 135 67.761 7.608 -5.047 1.00 0.00 C ATOM 691 CD GLU A 135 69.136 7.017 -5.341 1.00 0.00 C ATOM 692 OE1 GLU A 135 69.336 6.556 -6.453 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.968 7.034 -4.450 1.00 0.00 O ATOM 0 H GLU A 135 65.620 5.135 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 135 67.867 5.061 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.814 7.039 -6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.701 7.201 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.744 8.664 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 135 67.548 7.546 -3.980 1.00 0.00 H new ATOM 700 N LEU A 136 64.988 5.442 -3.973 1.00 0.00 N ATOM 701 CA LEU A 136 64.329 5.214 -2.691 1.00 0.00 C ATOM 702 C LEU A 136 64.475 3.755 -2.271 1.00 0.00 C ATOM 703 O LEU A 136 64.508 3.436 -1.083 1.00 0.00 O ATOM 704 CB LEU A 136 62.842 5.557 -2.786 1.00 0.00 C ATOM 705 CG LEU A 136 62.352 6.083 -1.437 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.111 6.952 -1.648 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.001 4.902 -0.528 1.00 0.00 C ATOM 0 H LEU A 136 64.412 5.912 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 136 64.803 5.856 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.680 6.306 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.272 4.673 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 136 63.137 6.680 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.762 7.327 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.361 7.792 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.325 6.357 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.651 5.275 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.216 4.306 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.886 4.283 -0.378 1.00 0.00 H new ATOM 719 N MET A 137 64.562 2.875 -3.264 1.00 0.00 N ATOM 720 CA MET A 137 64.705 1.447 -2.993 1.00 0.00 C ATOM 721 C MET A 137 66.144 1.121 -2.611 1.00 0.00 C ATOM 722 O MET A 137 66.404 0.200 -1.837 1.00 0.00 O ATOM 723 CB MET A 137 64.318 0.627 -4.225 1.00 0.00 C ATOM 724 CG MET A 137 64.618 -0.851 -3.968 1.00 0.00 C ATOM 725 SD MET A 137 63.717 -1.402 -2.499 1.00 0.00 S ATOM 726 CE MET A 137 63.416 -3.101 -3.044 1.00 0.00 C ATOM 0 H MET A 137 64.536 3.121 -4.254 1.00 0.00 H new ATOM 0 HA MET A 137 64.042 1.193 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.259 0.761 -4.447 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.873 0.976 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 137 64.326 -1.448 -4.832 1.00 0.00 H new ATOM 0 HG3 MET A 137 65.689 -0.997 -3.827 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.348 -3.247 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 137 63.954 -3.286 -3.974 1.00 0.00 H new ATOM 0 HE3 MET A 137 63.764 -3.795 -2.279 1.00 0.00 H new ATOM 736 N LYS A 138 67.077 1.891 -3.163 1.00 0.00 N ATOM 737 CA LYS A 138 68.492 1.682 -2.874 1.00 0.00 C ATOM 738 C LYS A 138 68.756 1.856 -1.383 1.00 0.00 C ATOM 739 O LYS A 138 69.462 1.060 -0.763 1.00 0.00 O ATOM 740 CB LYS A 138 69.351 2.684 -3.649 1.00 0.00 C ATOM 741 CG LYS A 138 70.192 1.942 -4.689 1.00 0.00 C ATOM 742 CD LYS A 138 71.278 2.877 -5.224 1.00 0.00 C ATOM 743 CE LYS A 138 71.747 2.386 -6.595 1.00 0.00 C ATOM 744 NZ LYS A 138 73.148 1.890 -6.491 1.00 0.00 N ATOM 0 H LYS A 138 66.882 2.658 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 138 68.753 0.668 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.715 3.421 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.000 3.229 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.646 1.057 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.559 1.597 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.891 3.893 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 138 72.119 2.909 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 138 71.093 1.590 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 138 71.689 3.196 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 73.468 1.556 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 73.766 2.662 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 73.189 1.106 -5.809 1.00 0.00 H new ATOM 758 N ASP A 139 68.179 2.911 -0.817 1.00 0.00 N ATOM 759 CA ASP A 139 68.351 3.195 0.604 1.00 0.00 C ATOM 760 C ASP A 139 67.387 2.356 1.436 1.00 0.00 C ATOM 761 O ASP A 139 67.607 2.125 2.625 1.00 0.00 O ATOM 762 CB ASP A 139 68.094 4.677 0.886 1.00 0.00 C ATOM 763 CG ASP A 139 69.346 5.308 1.484 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.719 4.917 2.578 1.00 0.00 O ATOM 765 OD2 ASP A 139 69.915 6.174 0.839 1.00 0.00 O ATOM 0 H ASP A 139 67.592 3.580 -1.316 1.00 0.00 H new ATOM 0 HA ASP A 139 69.376 2.945 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 139 67.820 5.191 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.255 4.787 1.573 1.00 0.00 H new ATOM 770 N GLY A 140 66.313 1.902 0.796 1.00 0.00 N ATOM 771 CA GLY A 140 65.317 1.087 1.486 1.00 0.00 C ATOM 772 C GLY A 140 65.772 -0.366 1.580 1.00 0.00 C ATOM 773 O GLY A 140 65.158 -1.179 2.271 1.00 0.00 O ATOM 0 H GLY A 140 66.111 2.082 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.146 1.484 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.366 1.141 0.955 1.00 0.00 H new ATOM 777 N ASP A 141 66.857 -0.685 0.877 1.00 0.00 N ATOM 778 CA ASP A 141 67.388 -2.045 0.888 1.00 0.00 C ATOM 779 C ASP A 141 68.829 -2.047 1.389 1.00 0.00 C ATOM 780 O ASP A 141 69.738 -2.519 0.705 1.00 0.00 O ATOM 781 CB ASP A 141 67.348 -2.646 -0.519 1.00 0.00 C ATOM 782 CG ASP A 141 66.510 -3.920 -0.508 1.00 0.00 C ATOM 783 OD1 ASP A 141 65.583 -3.988 0.280 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.807 -4.808 -1.291 1.00 0.00 O ATOM 0 H ASP A 141 67.380 -0.028 0.299 1.00 0.00 H new ATOM 0 HA ASP A 141 66.769 -2.645 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.925 -1.927 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.359 -2.867 -0.860 1.00 0.00 H new ATOM 789 N LYS A 142 69.028 -1.512 2.590 1.00 0.00 N ATOM 790 CA LYS A 142 70.365 -1.454 3.175 1.00 0.00 C ATOM 791 C LYS A 142 71.135 -2.735 2.875 1.00 0.00 C ATOM 792 O LYS A 142 72.160 -2.715 2.194 1.00 0.00 O ATOM 793 CB LYS A 142 70.283 -1.266 4.692 1.00 0.00 C ATOM 794 CG LYS A 142 71.631 -0.768 5.219 1.00 0.00 C ATOM 795 CD LYS A 142 71.794 0.715 4.881 1.00 0.00 C ATOM 796 CE LYS A 142 71.497 1.559 6.123 1.00 0.00 C ATOM 797 NZ LYS A 142 70.633 2.714 5.747 1.00 0.00 N ATOM 0 H LYS A 142 68.290 -1.116 3.172 1.00 0.00 H new ATOM 0 HA LYS A 142 70.886 -0.604 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.498 -0.551 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.019 -2.208 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 142 71.689 -0.915 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.443 -1.345 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.808 0.909 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.118 0.990 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 142 71.000 0.950 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 142 72.428 1.916 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 71.167 3.599 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 70.334 2.616 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 69.794 2.734 6.361 1.00 0.00 H new ATOM 811 N ASN A 143 70.630 -3.852 3.392 1.00 0.00 N ATOM 812 CA ASN A 143 71.280 -5.141 3.174 1.00 0.00 C ATOM 813 C ASN A 143 71.165 -5.557 1.710 1.00 0.00 C ATOM 814 O ASN A 143 71.932 -6.388 1.224 1.00 0.00 O ATOM 815 CB ASN A 143 70.644 -6.223 4.051 1.00 0.00 C ATOM 816 CG ASN A 143 69.131 -6.037 4.077 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.576 -5.551 5.062 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.422 -6.402 3.044 1.00 0.00 N ATOM 0 H ASN A 143 69.783 -3.892 3.958 1.00 0.00 H new ATOM 0 HA ASN A 143 72.331 -5.033 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.892 -7.211 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 143 71.045 -6.167 5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.409 -6.284 3.054 1.00 0.00 H new ATOM 0 HD22 ASN A 143 68.881 -6.805 2.227 1.00 0.00 H new ATOM 825 N ASN A 144 70.198 -4.968 1.012 1.00 0.00 N ATOM 826 CA ASN A 144 69.991 -5.285 -0.399 1.00 0.00 C ATOM 827 C ASN A 144 69.604 -6.752 -0.565 1.00 0.00 C ATOM 828 O ASN A 144 70.435 -7.591 -0.912 1.00 0.00 O ATOM 829 CB ASN A 144 71.265 -5.015 -1.202 1.00 0.00 C ATOM 830 CG ASN A 144 71.101 -5.559 -2.617 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.771 -6.518 -3.002 1.00 0.00 O ATOM 832 ND2 ASN A 144 70.240 -5.001 -3.423 1.00 0.00 N ATOM 0 H ASN A 144 69.552 -4.277 1.394 1.00 0.00 H new ATOM 0 HA ASN A 144 69.186 -4.651 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.467 -3.944 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.120 -5.486 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 144 70.122 -5.359 -4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 144 69.685 -4.207 -3.105 1.00 0.00 H new ATOM 839 N ASP A 145 68.333 -7.052 -0.313 1.00 0.00 N ATOM 840 CA ASP A 145 67.847 -8.424 -0.439 1.00 0.00 C ATOM 841 C ASP A 145 66.668 -8.487 -1.404 1.00 0.00 C ATOM 842 O ASP A 145 65.899 -9.447 -1.404 1.00 0.00 O ATOM 843 CB ASP A 145 67.406 -8.963 0.923 1.00 0.00 C ATOM 844 CG ASP A 145 68.211 -10.214 1.259 1.00 0.00 C ATOM 845 OD1 ASP A 145 69.420 -10.176 1.102 1.00 0.00 O ATOM 846 OD2 ASP A 145 67.607 -11.191 1.668 1.00 0.00 O ATOM 0 H ASP A 145 67.628 -6.374 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 145 68.663 -9.035 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.554 -8.205 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.341 -9.196 0.907 1.00 0.00 H new ATOM 851 N GLY A 146 66.536 -7.451 -2.228 1.00 0.00 N ATOM 852 CA GLY A 146 65.446 -7.398 -3.199 1.00 0.00 C ATOM 853 C GLY A 146 64.091 -7.394 -2.498 1.00 0.00 C ATOM 854 O GLY A 146 63.086 -7.830 -3.059 1.00 0.00 O ATOM 0 H GLY A 146 67.162 -6.646 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.544 -6.503 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.510 -8.254 -3.870 1.00 0.00 H new ATOM 858 N ARG A 147 64.074 -6.896 -1.263 1.00 0.00 N ATOM 859 CA ARG A 147 62.834 -6.840 -0.493 1.00 0.00 C ATOM 860 C ARG A 147 63.036 -6.047 0.796 1.00 0.00 C ATOM 861 O ARG A 147 64.147 -5.625 1.115 1.00 0.00 O ATOM 862 CB ARG A 147 62.357 -8.251 -0.140 1.00 0.00 C ATOM 863 CG ARG A 147 63.364 -8.910 0.805 1.00 0.00 C ATOM 864 CD ARG A 147 62.747 -10.174 1.407 1.00 0.00 C ATOM 865 NE ARG A 147 63.231 -11.365 0.712 1.00 0.00 N ATOM 866 CZ ARG A 147 64.428 -11.877 0.981 1.00 0.00 C ATOM 867 NH1 ARG A 147 65.189 -11.319 1.883 1.00 0.00 N ATOM 868 NH2 ARG A 147 64.842 -12.938 0.343 1.00 0.00 N ATOM 0 H ARG A 147 64.894 -6.530 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 147 62.082 -6.345 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.375 -8.207 0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.249 -8.847 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.277 -9.160 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.643 -8.216 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.997 -10.238 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 147 61.660 -10.123 1.338 1.00 0.00 H new ATOM 0 HE ARG A 147 62.641 -11.811 0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 147 64.865 -10.490 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 147 66.107 -11.712 2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 147 64.247 -13.374 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 147 65.760 -13.331 0.549 1.00 0.00 H new ATOM 882 N ILE A 148 61.944 -5.852 1.533 1.00 0.00 N ATOM 883 CA ILE A 148 62.003 -5.109 2.790 1.00 0.00 C ATOM 884 C ILE A 148 61.618 -6.014 3.956 1.00 0.00 C ATOM 885 O ILE A 148 60.696 -6.823 3.854 1.00 0.00 O ATOM 886 CB ILE A 148 61.052 -3.910 2.749 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.227 -3.171 1.420 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.370 -2.962 3.907 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.560 -2.419 1.420 1.00 0.00 C ATOM 0 H ILE A 148 61.016 -6.195 1.285 1.00 0.00 H new ATOM 0 HA ILE A 148 63.024 -4.753 2.927 1.00 0.00 H new ATOM 0 HB ILE A 148 60.023 -4.258 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.198 -3.880 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.404 -2.472 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.692 -2.109 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.247 -3.489 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.398 -2.611 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.682 -1.894 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.571 -1.699 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.378 -3.128 1.549 1.00 0.00 H new ATOM 901 N ASP A 149 62.338 -5.873 5.066 1.00 0.00 N ATOM 902 CA ASP A 149 62.064 -6.688 6.246 1.00 0.00 C ATOM 903 C ASP A 149 61.686 -5.808 7.433 1.00 0.00 C ATOM 904 O ASP A 149 61.621 -4.584 7.323 1.00 0.00 O ATOM 905 CB ASP A 149 63.293 -7.523 6.614 1.00 0.00 C ATOM 906 CG ASP A 149 64.464 -6.599 6.932 1.00 0.00 C ATOM 907 OD1 ASP A 149 64.364 -5.421 6.631 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.445 -7.084 7.473 1.00 0.00 O ATOM 0 H ASP A 149 63.106 -5.211 5.173 1.00 0.00 H new ATOM 0 HA ASP A 149 61.231 -7.350 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.071 -8.155 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.554 -8.187 5.790 1.00 0.00 H new ATOM 913 N TYR A 150 61.436 -6.450 8.572 1.00 0.00 N ATOM 914 CA TYR A 150 61.062 -5.724 9.784 1.00 0.00 C ATOM 915 C TYR A 150 62.254 -4.944 10.339 1.00 0.00 C ATOM 916 O TYR A 150 62.128 -4.212 11.319 1.00 0.00 O ATOM 917 CB TYR A 150 60.556 -6.696 10.854 1.00 0.00 C ATOM 918 CG TYR A 150 60.430 -5.977 12.178 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.250 -5.293 12.497 1.00 0.00 C ATOM 920 CD2 TYR A 150 61.495 -5.996 13.087 1.00 0.00 C ATOM 921 CE1 TYR A 150 59.136 -4.629 13.724 1.00 0.00 C ATOM 922 CE2 TYR A 150 61.381 -5.331 14.314 1.00 0.00 C ATOM 923 CZ TYR A 150 60.201 -4.647 14.632 1.00 0.00 C ATOM 924 OH TYR A 150 60.087 -3.993 15.841 1.00 0.00 O ATOM 0 H TYR A 150 61.485 -7.463 8.681 1.00 0.00 H new ATOM 0 HA TYR A 150 60.268 -5.025 9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.590 -7.106 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.243 -7.536 10.950 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.428 -5.278 11.796 1.00 0.00 H new ATOM 0 HD2 TYR A 150 62.405 -6.524 12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 150 58.226 -4.102 13.970 1.00 0.00 H new ATOM 0 HE2 TYR A 150 62.203 -5.346 15.015 1.00 0.00 H new ATOM 0 HH TYR A 150 60.915 -4.105 16.353 1.00 0.00 H new ATOM 934 N ASP A 151 63.413 -5.107 9.707 1.00 0.00 N ATOM 935 CA ASP A 151 64.613 -4.405 10.158 1.00 0.00 C ATOM 936 C ASP A 151 64.840 -3.151 9.319 1.00 0.00 C ATOM 937 O ASP A 151 64.873 -2.036 9.839 1.00 0.00 O ATOM 938 CB ASP A 151 65.840 -5.311 10.044 1.00 0.00 C ATOM 939 CG ASP A 151 66.730 -5.119 11.267 1.00 0.00 C ATOM 940 OD1 ASP A 151 67.182 -4.005 11.476 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.945 -6.087 11.977 1.00 0.00 O ATOM 0 H ASP A 151 63.548 -5.708 8.894 1.00 0.00 H new ATOM 0 HA ASP A 151 64.468 -4.125 11.201 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.530 -6.353 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.396 -5.076 9.136 1.00 0.00 H new ATOM 946 N GLU A 152 64.990 -3.348 8.013 1.00 0.00 N ATOM 947 CA GLU A 152 65.207 -2.229 7.104 1.00 0.00 C ATOM 948 C GLU A 152 64.085 -1.209 7.248 1.00 0.00 C ATOM 949 O GLU A 152 64.327 -0.012 7.401 1.00 0.00 O ATOM 950 CB GLU A 152 65.250 -2.727 5.659 1.00 0.00 C ATOM 951 CG GLU A 152 66.350 -3.780 5.517 1.00 0.00 C ATOM 952 CD GLU A 152 66.183 -4.517 4.192 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.918 -3.859 3.200 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.322 -5.729 4.190 1.00 0.00 O ATOM 0 H GLU A 152 64.966 -4.263 7.564 1.00 0.00 H new ATOM 0 HA GLU A 152 66.158 -1.759 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.286 -3.153 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.439 -1.894 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.330 -3.305 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.301 -4.486 6.346 1.00 0.00 H new ATOM 961 N PHE A 153 62.852 -1.703 7.201 1.00 0.00 N ATOM 962 CA PHE A 153 61.685 -0.837 7.331 1.00 0.00 C ATOM 963 C PHE A 153 61.707 -0.123 8.678 1.00 0.00 C ATOM 964 O PHE A 153 61.183 0.982 8.824 1.00 0.00 O ATOM 965 CB PHE A 153 60.402 -1.666 7.222 1.00 0.00 C ATOM 966 CG PHE A 153 59.237 -0.773 6.868 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.383 0.222 5.894 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.006 -0.946 7.512 1.00 0.00 C ATOM 969 CE1 PHE A 153 58.298 1.045 5.566 1.00 0.00 C ATOM 970 CE2 PHE A 153 56.922 -0.124 7.184 1.00 0.00 C ATOM 971 CZ PHE A 153 57.068 0.872 6.211 1.00 0.00 C ATOM 0 H PHE A 153 62.635 -2.692 7.075 1.00 0.00 H new ATOM 0 HA PHE A 153 61.711 -0.098 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.522 -2.439 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.207 -2.175 8.166 1.00 0.00 H new ATOM 0 HD1 PHE A 153 60.332 0.355 5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 153 57.893 -1.714 8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 153 58.411 1.813 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 153 55.973 -0.258 7.681 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.232 1.507 5.958 1.00 0.00 H new ATOM 981 N LEU A 154 62.323 -0.771 9.661 1.00 0.00 N ATOM 982 CA LEU A 154 62.418 -0.203 11.002 1.00 0.00 C ATOM 983 C LEU A 154 63.478 0.896 11.053 1.00 0.00 C ATOM 984 O LEU A 154 63.707 1.504 12.099 1.00 0.00 O ATOM 985 CB LEU A 154 62.781 -1.294 12.011 1.00 0.00 C ATOM 986 CG LEU A 154 61.543 -1.683 12.823 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.167 -0.533 13.755 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.369 -1.979 11.881 1.00 0.00 C ATOM 0 H LEU A 154 62.762 -1.686 9.556 1.00 0.00 H new ATOM 0 HA LEU A 154 61.448 0.226 11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.175 -2.167 11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.567 -0.939 12.677 1.00 0.00 H new ATOM 0 HG LEU A 154 61.765 -2.575 13.408 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.286 -0.808 14.334 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.996 -0.327 14.432 1.00 0.00 H new ATOM 0 HD13 LEU A 154 60.950 0.358 13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.493 -2.255 12.467 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.145 -1.092 11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.634 -2.801 11.216 1.00 0.00 H new ATOM 1000 N GLU A 155 64.124 1.143 9.915 1.00 0.00 N ATOM 1001 CA GLU A 155 65.161 2.171 9.849 1.00 0.00 C ATOM 1002 C GLU A 155 64.732 3.312 8.931 1.00 0.00 C ATOM 1003 O GLU A 155 64.872 4.487 9.271 1.00 0.00 O ATOM 1004 CB GLU A 155 66.470 1.580 9.325 1.00 0.00 C ATOM 1005 CG GLU A 155 67.633 2.493 9.716 1.00 0.00 C ATOM 1006 CD GLU A 155 68.399 2.908 8.465 1.00 0.00 C ATOM 1007 OE1 GLU A 155 69.000 2.044 7.848 1.00 0.00 O ATOM 1008 OE2 GLU A 155 68.373 4.084 8.141 1.00 0.00 O ATOM 0 H GLU A 155 63.951 0.653 9.037 1.00 0.00 H new ATOM 0 HA GLU A 155 65.312 2.555 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.622 0.582 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.425 1.474 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 155 67.258 3.375 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 155 68.298 1.976 10.407 1.00 0.00 H new ATOM 1015 N PHE A 156 64.208 2.956 7.761 1.00 0.00 N ATOM 1016 CA PHE A 156 63.763 3.964 6.803 1.00 0.00 C ATOM 1017 C PHE A 156 62.359 4.445 7.154 1.00 0.00 C ATOM 1018 O PHE A 156 61.950 5.543 6.775 1.00 0.00 O ATOM 1019 CB PHE A 156 63.757 3.394 5.383 1.00 0.00 C ATOM 1020 CG PHE A 156 63.790 4.529 4.386 1.00 0.00 C ATOM 1021 CD1 PHE A 156 62.649 5.316 4.182 1.00 0.00 C ATOM 1022 CD2 PHE A 156 64.960 4.795 3.665 1.00 0.00 C ATOM 1023 CE1 PHE A 156 62.679 6.368 3.258 1.00 0.00 C ATOM 1024 CE2 PHE A 156 64.990 5.847 2.741 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.849 6.634 2.538 1.00 0.00 C ATOM 0 H PHE A 156 64.082 1.991 7.456 1.00 0.00 H new ATOM 0 HA PHE A 156 64.458 4.802 6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.619 2.742 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.867 2.785 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 156 61.746 5.111 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.840 4.189 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 156 61.799 6.974 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 156 65.893 6.052 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 156 63.872 7.446 1.826 1.00 0.00 H new ATOM 1035 N MET A 157 61.624 3.610 7.884 1.00 0.00 N ATOM 1036 CA MET A 157 60.263 3.958 8.282 1.00 0.00 C ATOM 1037 C MET A 157 60.101 3.851 9.795 1.00 0.00 C ATOM 1038 O MET A 157 59.428 2.953 10.300 1.00 0.00 O ATOM 1039 CB MET A 157 59.253 3.029 7.606 1.00 0.00 C ATOM 1040 CG MET A 157 57.990 3.817 7.256 1.00 0.00 C ATOM 1041 SD MET A 157 57.985 4.194 5.486 1.00 0.00 S ATOM 1042 CE MET A 157 58.068 5.996 5.634 1.00 0.00 C ATOM 0 H MET A 157 61.943 2.697 8.209 1.00 0.00 H new ATOM 0 HA MET A 157 60.077 4.986 7.971 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.687 2.597 6.704 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.005 2.200 8.269 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.104 3.239 7.518 1.00 0.00 H new ATOM 0 HG3 MET A 157 57.952 4.740 7.835 1.00 0.00 H new ATOM 0 HE1 MET A 157 58.236 6.434 4.650 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.130 6.371 6.043 1.00 0.00 H new ATOM 0 HE3 MET A 157 58.888 6.269 6.298 1.00 0.00 H new ATOM 1052 N LYS A 158 60.723 4.782 10.511 1.00 0.00 N ATOM 1053 CA LYS A 158 60.639 4.789 11.969 1.00 0.00 C ATOM 1054 C LYS A 158 59.355 5.476 12.418 1.00 0.00 C ATOM 1055 O LYS A 158 59.359 6.652 12.784 1.00 0.00 O ATOM 1056 CB LYS A 158 61.836 5.527 12.572 1.00 0.00 C ATOM 1057 CG LYS A 158 62.735 4.529 13.304 1.00 0.00 C ATOM 1058 CD LYS A 158 63.297 5.183 14.567 1.00 0.00 C ATOM 1059 CE LYS A 158 64.358 4.270 15.183 1.00 0.00 C ATOM 1060 NZ LYS A 158 65.520 5.090 15.627 1.00 0.00 N ATOM 0 H LYS A 158 61.285 5.534 10.112 1.00 0.00 H new ATOM 0 HA LYS A 158 60.642 3.755 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.399 6.032 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.492 6.297 13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.168 3.636 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.549 4.211 12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.732 6.153 14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.496 5.363 15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 158 63.938 3.726 16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 158 64.681 3.526 14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 66.242 4.470 16.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.925 5.590 14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 65.205 5.783 16.336 1.00 0.00 H new ATOM 1074 N GLY A 159 58.253 4.733 12.380 1.00 0.00 N ATOM 1075 CA GLY A 159 56.965 5.290 12.779 1.00 0.00 C ATOM 1076 C GLY A 159 56.756 6.650 12.124 1.00 0.00 C ATOM 1077 O GLY A 159 56.766 7.685 12.791 1.00 0.00 O ATOM 0 H GLY A 159 58.225 3.758 12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.162 4.612 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.924 5.390 13.864 1.00 0.00 H new ATOM 1081 N VAL A 160 56.575 6.637 10.806 1.00 0.00 N ATOM 1082 CA VAL A 160 56.374 7.879 10.065 1.00 0.00 C ATOM 1083 C VAL A 160 55.164 7.766 9.145 1.00 0.00 C ATOM 1084 O VAL A 160 54.840 6.687 8.649 1.00 0.00 O ATOM 1085 CB VAL A 160 57.611 8.203 9.225 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.329 9.425 8.347 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.790 8.503 10.153 1.00 0.00 C ATOM 0 H VAL A 160 56.563 5.792 10.235 1.00 0.00 H new ATOM 0 HA VAL A 160 56.203 8.677 10.787 1.00 0.00 H new ATOM 0 HB VAL A 160 57.853 7.350 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.211 9.655 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.488 9.212 7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.087 10.279 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.673 8.734 9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.547 9.356 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.992 7.633 10.778 1.00 0.00 H new ATOM 1097 N GLU A 161 54.501 8.897 8.923 1.00 0.00 N ATOM 1098 CA GLU A 161 53.326 8.922 8.059 1.00 0.00 C ATOM 1099 C GLU A 161 53.720 8.629 6.615 1.00 0.00 C ATOM 1100 O GLU A 161 53.572 7.491 6.200 1.00 0.00 O ATOM 1101 CB GLU A 161 52.648 10.291 8.120 1.00 0.00 C ATOM 1102 CG GLU A 161 52.239 10.595 9.563 1.00 0.00 C ATOM 1103 CD GLU A 161 53.313 11.448 10.229 1.00 0.00 C ATOM 1104 OE1 GLU A 161 53.587 12.523 9.721 1.00 0.00 O ATOM 1105 OE2 GLU A 161 53.846 11.015 11.237 1.00 0.00 O ATOM 1106 OXT GLU A 161 54.163 9.547 5.946 1.00 0.00 O ATOM 0 H GLU A 161 54.754 9.800 9.325 1.00 0.00 H new ATOM 0 HA GLU A 161 52.634 8.157 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.327 11.061 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.772 10.304 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 161 51.283 11.118 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 161 52.103 9.666 10.117 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.577 -8.275 -0.221 1.00 0.00 CA HETATM 1115 CA CA A 3 66.857 -5.326 1.472 1.00 0.00 CA HETATM 1116 S1 EMD A 1 60.659 0.410 2.912 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.251 1.070 2.474 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.271 0.625 3.000 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.315 2.149 1.701 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.221 2.800 1.170 1.00 0.00 N HETATM 1121 C5 EMD A 1 59.954 2.549 1.177 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.488 1.209 1.787 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.163 0.213 0.673 1.00 0.00 C HETATM 1124 C8 EMD A 1 58.938 3.710 0.880 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.021 4.103 1.865 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.111 5.144 1.609 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.132 5.783 0.345 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.050 5.385 -0.634 1.00 0.00 C HETATM 1129 C13 EMD A 1 58.954 4.350 -0.366 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.135 6.903 0.076 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.435 7.555 1.263 1.00 0.00 C HETATM 1132 C16 EMD A 1 55.844 7.079 2.643 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.110 5.557 2.701 1.00 0.00 C HETATM 1134 C18 EMD A 1 55.829 7.359 -1.204 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.359 6.871 -2.201 1.00 0.00 O HETATM 1136 C19 EMD A 1 54.820 8.488 -1.431 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.242 9.702 -1.989 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.338 10.770 -2.110 1.00 0.00 C HETATM 1139 O21 EMD A 1 54.808 11.962 -2.674 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.030 10.625 -1.680 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.094 11.660 -1.780 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.604 9.411 -1.121 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.498 8.343 -0.996 1.00 0.00 C HETATM 1144 C25 EMD A 1 55.623 12.039 -3.872 1.00 0.00 C HETATM 1145 C26 EMD A 1 50.664 11.462 -1.915 1.00 0.00 C HETATM 0 H263 EMD A 1 50.459 10.895 -2.823 1.00 0.00 H new HETATM 0 H262 EMD A 1 50.290 10.912 -1.051 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.166 12.430 -1.972 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.552 11.491 -3.716 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.080 11.601 -4.710 1.00 0.00 H new HETATM 0 H251 EMD A 1 55.849 13.082 -4.092 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.175 5.013 2.570 1.00 0.00 H new HETATM 0 H171 EMD A 1 56.501 5.287 3.682 1.00 0.00 H new HETATM 0 H162 EMD A 1 56.743 7.612 2.954 1.00 0.00 H new HETATM 0 H161 EMD A 1 55.060 7.333 3.356 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.606 8.630 1.210 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.362 7.397 1.153 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.013 3.600 2.832 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.078 -0.052 0.143 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.721 -0.685 1.105 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.457 0.665 -0.024 1.00 0.00 H new HETATM 0 H6 EMD A 1 58.615 1.476 2.382 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.239 2.523 1.485 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.166 7.400 -0.561 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.574 9.300 -0.783 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.271 9.817 -2.329 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.671 4.042 -1.127 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.061 5.881 -1.605 1.00 0.00 H new