USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, 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 Set 1.1: A 138 LYS NZ :NH3+ -159:sc= 0.459 (180deg=0) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.675 K(o=1.1,f=-2.1) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.178) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00623 USER MOD Single : A 98 SER OG : rot -75:sc= -1.3! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc=-0.00679 (180deg=-0.0266) USER MOD Single : A 107 ASN : amide:sc= -7.67! C(o=-7.7!,f=-16!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.433 K(o=-0.43,f=-2.3!) USER MOD Single : A 124 THR OG1 : rot -30:sc= 1.17 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -134:sc= -0.0192 (180deg=-1.27) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -7.04! C(o=-7!,f=-20!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -137:sc= -1.42 (180deg=-3.69!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 56.753 11.443 16.589 1.00 0.00 N ATOM 2 CA GLY A 91 57.184 10.237 17.292 1.00 0.00 C ATOM 3 C GLY A 91 56.075 9.192 17.303 1.00 0.00 C ATOM 4 O GLY A 91 55.105 9.303 18.054 1.00 0.00 O ATOM 0 HA2 GLY A 91 58.071 9.827 16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 91 57.464 10.487 18.315 1.00 0.00 H new ATOM 8 N LYS A 92 56.228 8.173 16.462 1.00 0.00 N ATOM 9 CA LYS A 92 55.233 7.107 16.382 1.00 0.00 C ATOM 10 C LYS A 92 55.812 5.798 16.906 1.00 0.00 C ATOM 11 O LYS A 92 57.027 5.649 17.041 1.00 0.00 O ATOM 12 CB LYS A 92 54.775 6.906 14.937 1.00 0.00 C ATOM 13 CG LYS A 92 53.799 8.019 14.552 1.00 0.00 C ATOM 14 CD LYS A 92 54.255 8.668 13.244 1.00 0.00 C ATOM 15 CE LYS A 92 53.254 8.339 12.135 1.00 0.00 C ATOM 16 NZ LYS A 92 53.868 7.369 11.185 1.00 0.00 N ATOM 0 H LYS A 92 57.023 8.063 15.832 1.00 0.00 H new ATOM 0 HA LYS A 92 54.380 7.399 16.994 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.635 6.914 14.267 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.295 5.933 14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 92 52.794 7.612 14.438 1.00 0.00 H new ATOM 0 HG3 LYS A 92 53.752 8.766 15.344 1.00 0.00 H new ATOM 0 HD2 LYS A 92 54.333 9.748 13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 92 55.247 8.306 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.345 7.918 12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 92 52.967 9.249 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 53.129 6.964 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 54.572 7.858 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 54.332 6.607 11.719 1.00 0.00 H new ATOM 30 N SER A 93 54.929 4.849 17.200 1.00 0.00 N ATOM 31 CA SER A 93 55.361 3.552 17.710 1.00 0.00 C ATOM 32 C SER A 93 55.017 2.448 16.716 1.00 0.00 C ATOM 33 O SER A 93 54.268 2.661 15.763 1.00 0.00 O ATOM 34 CB SER A 93 54.680 3.249 19.044 1.00 0.00 C ATOM 35 OG SER A 93 53.512 4.050 19.166 1.00 0.00 O ATOM 0 H SER A 93 53.920 4.951 17.095 1.00 0.00 H new ATOM 0 HA SER A 93 56.441 3.589 17.853 1.00 0.00 H new ATOM 0 HB2 SER A 93 54.418 2.192 19.100 1.00 0.00 H new ATOM 0 HB3 SER A 93 55.363 3.453 19.869 1.00 0.00 H new ATOM 0 HG SER A 93 53.071 3.857 20.020 1.00 0.00 H new ATOM 41 N GLU A 94 55.575 1.263 16.951 1.00 0.00 N ATOM 42 CA GLU A 94 55.322 0.126 16.070 1.00 0.00 C ATOM 43 C GLU A 94 53.832 0.011 15.766 1.00 0.00 C ATOM 44 O GLU A 94 53.436 -0.415 14.681 1.00 0.00 O ATOM 45 CB GLU A 94 55.799 -1.173 16.722 1.00 0.00 C ATOM 46 CG GLU A 94 57.326 -1.245 16.657 1.00 0.00 C ATOM 47 CD GLU A 94 57.923 -0.415 17.788 1.00 0.00 C ATOM 48 OE1 GLU A 94 57.238 -0.221 18.779 1.00 0.00 O ATOM 49 OE2 GLU A 94 59.056 0.015 17.647 1.00 0.00 O ATOM 0 H GLU A 94 56.198 1.066 17.734 1.00 0.00 H new ATOM 0 HA GLU A 94 55.871 0.289 15.143 1.00 0.00 H new ATOM 0 HB2 GLU A 94 55.466 -1.216 17.759 1.00 0.00 H new ATOM 0 HB3 GLU A 94 55.362 -2.031 16.211 1.00 0.00 H new ATOM 0 HG2 GLU A 94 57.656 -2.281 16.739 1.00 0.00 H new ATOM 0 HG3 GLU A 94 57.678 -0.874 15.694 1.00 0.00 H new ATOM 56 N GLU A 95 53.010 0.400 16.737 1.00 0.00 N ATOM 57 CA GLU A 95 51.562 0.339 16.565 1.00 0.00 C ATOM 58 C GLU A 95 51.161 0.961 15.232 1.00 0.00 C ATOM 59 O GLU A 95 50.283 0.456 14.531 1.00 0.00 O ATOM 60 CB GLU A 95 50.854 1.087 17.696 1.00 0.00 C ATOM 61 CG GLU A 95 51.525 0.753 19.029 1.00 0.00 C ATOM 62 CD GLU A 95 50.457 0.518 20.091 1.00 0.00 C ATOM 63 OE1 GLU A 95 49.512 -0.199 19.804 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.599 1.058 21.176 1.00 0.00 O ATOM 0 H GLU A 95 53.318 0.757 17.642 1.00 0.00 H new ATOM 0 HA GLU A 95 51.265 -0.709 16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 95 50.894 2.161 17.516 1.00 0.00 H new ATOM 0 HB3 GLU A 95 49.801 0.808 17.727 1.00 0.00 H new ATOM 0 HG2 GLU A 95 52.148 -0.135 18.922 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.181 1.569 19.332 1.00 0.00 H new ATOM 71 N GLU A 96 51.816 2.066 14.890 1.00 0.00 N ATOM 72 CA GLU A 96 51.526 2.756 13.637 1.00 0.00 C ATOM 73 C GLU A 96 52.321 2.135 12.493 1.00 0.00 C ATOM 74 O GLU A 96 51.753 1.680 11.500 1.00 0.00 O ATOM 75 CB GLU A 96 51.883 4.239 13.746 1.00 0.00 C ATOM 76 CG GLU A 96 50.606 5.058 13.939 1.00 0.00 C ATOM 77 CD GLU A 96 50.301 5.183 15.428 1.00 0.00 C ATOM 78 OE1 GLU A 96 50.202 4.156 16.080 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.169 6.302 15.895 1.00 0.00 O ATOM 0 H GLU A 96 52.545 2.500 15.457 1.00 0.00 H new ATOM 0 HA GLU A 96 50.459 2.655 13.436 1.00 0.00 H new ATOM 0 HB2 GLU A 96 52.561 4.400 14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 96 52.405 4.566 12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.726 6.047 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 96 49.773 4.578 13.425 1.00 0.00 H new ATOM 86 N LEU A 97 53.642 2.121 12.643 1.00 0.00 N ATOM 87 CA LEU A 97 54.507 1.550 11.614 1.00 0.00 C ATOM 88 C LEU A 97 53.979 0.187 11.179 1.00 0.00 C ATOM 89 O LEU A 97 53.968 -0.141 9.992 1.00 0.00 O ATOM 90 CB LEU A 97 55.935 1.389 12.138 1.00 0.00 C ATOM 91 CG LEU A 97 56.844 2.420 11.465 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.178 2.489 12.210 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.093 2.009 10.012 1.00 0.00 C ATOM 0 H LEU A 97 54.133 2.493 13.456 1.00 0.00 H new ATOM 0 HA LEU A 97 54.512 2.230 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 97 55.954 1.522 13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.297 0.381 11.935 1.00 0.00 H new ATOM 0 HG LEU A 97 56.363 3.398 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.825 3.223 11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.002 2.782 13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 97 58.659 1.511 12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 97 57.740 2.743 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.573 1.031 9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.143 1.960 9.480 1.00 0.00 H new ATOM 105 N SER A 98 53.537 -0.604 12.155 1.00 0.00 N ATOM 106 CA SER A 98 53.004 -1.931 11.861 1.00 0.00 C ATOM 107 C SER A 98 52.065 -1.863 10.663 1.00 0.00 C ATOM 108 O SER A 98 51.994 -2.789 9.855 1.00 0.00 O ATOM 109 CB SER A 98 52.237 -2.483 13.062 1.00 0.00 C ATOM 110 OG SER A 98 51.280 -1.522 13.490 1.00 0.00 O ATOM 0 H SER A 98 53.537 -0.353 13.144 1.00 0.00 H new ATOM 0 HA SER A 98 53.842 -2.591 11.637 1.00 0.00 H new ATOM 0 HB2 SER A 98 51.739 -3.415 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.927 -2.713 13.874 1.00 0.00 H new ATOM 0 HG SER A 98 51.735 -0.798 13.969 1.00 0.00 H new ATOM 116 N ASP A 99 51.345 -0.750 10.560 1.00 0.00 N ATOM 117 CA ASP A 99 50.411 -0.558 9.457 1.00 0.00 C ATOM 118 C ASP A 99 51.167 -0.199 8.184 1.00 0.00 C ATOM 119 O ASP A 99 50.917 -0.757 7.119 1.00 0.00 O ATOM 120 CB ASP A 99 49.419 0.560 9.783 1.00 0.00 C ATOM 121 CG ASP A 99 48.302 0.011 10.663 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.304 -1.184 10.912 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.461 0.792 11.077 1.00 0.00 O ATOM 0 H ASP A 99 51.390 0.026 11.221 1.00 0.00 H new ATOM 0 HA ASP A 99 49.866 -1.490 9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 99 49.930 1.376 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.003 0.970 8.863 1.00 0.00 H new ATOM 128 N LEU A 100 52.100 0.740 8.310 1.00 0.00 N ATOM 129 CA LEU A 100 52.895 1.168 7.162 1.00 0.00 C ATOM 130 C LEU A 100 53.373 -0.043 6.368 1.00 0.00 C ATOM 131 O LEU A 100 53.230 -0.100 5.146 1.00 0.00 O ATOM 132 CB LEU A 100 54.113 1.973 7.624 1.00 0.00 C ATOM 133 CG LEU A 100 54.000 3.411 7.117 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.716 4.351 8.088 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.649 3.516 5.735 1.00 0.00 C ATOM 0 H LEU A 100 52.323 1.215 9.185 1.00 0.00 H new ATOM 0 HA LEU A 100 52.266 1.794 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.176 1.964 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.028 1.515 7.248 1.00 0.00 H new ATOM 0 HG LEU A 100 52.949 3.691 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.636 5.376 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.256 4.276 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.767 4.071 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.569 4.541 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.700 3.237 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.140 2.845 5.042 1.00 0.00 H new ATOM 147 N PHE A 101 53.946 -1.012 7.078 1.00 0.00 N ATOM 148 CA PHE A 101 54.447 -2.224 6.435 1.00 0.00 C ATOM 149 C PHE A 101 53.363 -2.859 5.573 1.00 0.00 C ATOM 150 O PHE A 101 53.580 -3.159 4.399 1.00 0.00 O ATOM 151 CB PHE A 101 54.907 -3.238 7.484 1.00 0.00 C ATOM 152 CG PHE A 101 55.734 -4.309 6.817 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.132 -5.205 5.926 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.104 -4.407 7.089 1.00 0.00 C ATOM 155 CE1 PHE A 101 55.898 -6.198 5.307 1.00 0.00 C ATOM 156 CE2 PHE A 101 57.871 -5.401 6.470 1.00 0.00 C ATOM 157 CZ PHE A 101 57.268 -6.297 5.578 1.00 0.00 C ATOM 0 H PHE A 101 54.074 -0.983 8.089 1.00 0.00 H new ATOM 0 HA PHE A 101 55.292 -1.944 5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.493 -2.739 8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.044 -3.684 7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.075 -5.129 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.569 -3.716 7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 101 55.432 -6.889 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 101 58.928 -5.477 6.680 1.00 0.00 H new ATOM 0 HZ PHE A 101 57.859 -7.064 5.100 1.00 0.00 H new ATOM 167 N ARG A 102 52.188 -3.057 6.165 1.00 0.00 N ATOM 168 CA ARG A 102 51.073 -3.652 5.435 1.00 0.00 C ATOM 169 C ARG A 102 50.535 -2.654 4.420 1.00 0.00 C ATOM 170 O ARG A 102 50.345 -2.975 3.247 1.00 0.00 O ATOM 171 CB ARG A 102 49.948 -4.051 6.392 1.00 0.00 C ATOM 172 CG ARG A 102 48.709 -4.445 5.585 1.00 0.00 C ATOM 173 CD ARG A 102 47.861 -5.426 6.396 1.00 0.00 C ATOM 174 NE ARG A 102 46.489 -4.939 6.523 1.00 0.00 N ATOM 175 CZ ARG A 102 46.173 -4.009 7.420 1.00 0.00 C ATOM 176 NH1 ARG A 102 47.094 -3.516 8.202 1.00 0.00 N ATOM 177 NH2 ARG A 102 44.941 -3.588 7.516 1.00 0.00 N ATOM 0 H ARG A 102 51.985 -2.818 7.135 1.00 0.00 H new ATOM 0 HA ARG A 102 51.434 -4.545 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.267 -4.884 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.712 -3.222 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.124 -3.558 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.007 -4.900 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.862 -6.402 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 102 48.298 -5.560 7.386 1.00 0.00 H new ATOM 0 HE ARG A 102 45.763 -5.318 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 102 48.057 -3.844 8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 102 46.851 -2.803 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 102 44.222 -3.972 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 102 44.698 -2.875 8.204 1.00 0.00 H new ATOM 191 N MET A 103 50.305 -1.431 4.889 1.00 0.00 N ATOM 192 CA MET A 103 49.803 -0.373 4.023 1.00 0.00 C ATOM 193 C MET A 103 50.538 -0.410 2.689 1.00 0.00 C ATOM 194 O MET A 103 49.989 -0.059 1.645 1.00 0.00 O ATOM 195 CB MET A 103 50.019 0.991 4.681 1.00 0.00 C ATOM 196 CG MET A 103 48.845 1.913 4.351 1.00 0.00 C ATOM 197 SD MET A 103 49.434 3.314 3.368 1.00 0.00 S ATOM 198 CE MET A 103 49.806 4.422 4.750 1.00 0.00 C ATOM 0 H MET A 103 50.458 -1.151 5.858 1.00 0.00 H new ATOM 0 HA MET A 103 48.737 -0.528 3.859 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.110 0.874 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 103 50.951 1.432 4.328 1.00 0.00 H new ATOM 0 HG2 MET A 103 48.082 1.364 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.380 2.270 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 103 50.191 5.367 4.366 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.897 4.607 5.323 1.00 0.00 H new ATOM 0 HE3 MET A 103 50.554 3.961 5.395 1.00 0.00 H new ATOM 208 N PHE A 104 51.791 -0.853 2.743 1.00 0.00 N ATOM 209 CA PHE A 104 52.612 -0.953 1.542 1.00 0.00 C ATOM 210 C PHE A 104 52.495 -2.356 0.954 1.00 0.00 C ATOM 211 O PHE A 104 52.300 -2.530 -0.249 1.00 0.00 O ATOM 212 CB PHE A 104 54.078 -0.666 1.875 1.00 0.00 C ATOM 213 CG PHE A 104 54.741 0.018 0.703 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.570 -0.484 -0.592 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.530 1.156 0.913 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.187 0.150 -1.677 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.147 1.791 -0.172 1.00 0.00 C ATOM 218 CZ PHE A 104 55.975 1.288 -1.467 1.00 0.00 C ATOM 0 H PHE A 104 52.257 -1.147 3.601 1.00 0.00 H new ATOM 0 HA PHE A 104 52.260 -0.219 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.143 -0.035 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.597 -1.596 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.961 -1.361 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.663 1.544 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.055 -0.239 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.755 2.668 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.450 1.778 -2.304 1.00 0.00 H new ATOM 228 N ASP A 105 52.606 -3.355 1.825 1.00 0.00 N ATOM 229 CA ASP A 105 52.502 -4.747 1.396 1.00 0.00 C ATOM 230 C ASP A 105 51.037 -5.133 1.215 1.00 0.00 C ATOM 231 O ASP A 105 50.269 -5.170 2.177 1.00 0.00 O ATOM 232 CB ASP A 105 53.136 -5.676 2.433 1.00 0.00 C ATOM 233 CG ASP A 105 53.849 -6.821 1.724 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.521 -6.557 0.741 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.712 -7.946 2.175 1.00 0.00 O ATOM 0 H ASP A 105 52.767 -3.229 2.824 1.00 0.00 H new ATOM 0 HA ASP A 105 53.030 -4.850 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.842 -5.121 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.370 -6.069 3.101 1.00 0.00 H new ATOM 240 N LYS A 106 50.657 -5.414 -0.028 1.00 0.00 N ATOM 241 CA LYS A 106 49.275 -5.790 -0.322 1.00 0.00 C ATOM 242 C LYS A 106 49.227 -7.052 -1.179 1.00 0.00 C ATOM 243 O LYS A 106 48.302 -7.247 -1.967 1.00 0.00 O ATOM 244 CB LYS A 106 48.541 -4.662 -1.058 1.00 0.00 C ATOM 245 CG LYS A 106 49.550 -3.691 -1.679 1.00 0.00 C ATOM 246 CD LYS A 106 50.219 -4.349 -2.887 1.00 0.00 C ATOM 247 CE LYS A 106 49.145 -4.876 -3.840 1.00 0.00 C ATOM 248 NZ LYS A 106 49.561 -4.613 -5.247 1.00 0.00 N ATOM 0 H LYS A 106 51.276 -5.390 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 106 48.781 -5.978 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 106 47.902 -5.081 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 106 47.891 -4.128 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 106 49.047 -2.774 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.302 -3.411 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 106 50.855 -3.628 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.863 -5.166 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 106 48.999 -5.945 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.191 -4.391 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 48.913 -5.101 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 49.532 -3.590 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 50.529 -4.964 -5.394 1.00 0.00 H new ATOM 262 N ASN A 107 50.229 -7.911 -1.013 1.00 0.00 N ATOM 263 CA ASN A 107 50.282 -9.158 -1.775 1.00 0.00 C ATOM 264 C ASN A 107 50.191 -10.361 -0.838 1.00 0.00 C ATOM 265 O ASN A 107 49.996 -11.494 -1.277 1.00 0.00 O ATOM 266 CB ASN A 107 51.581 -9.246 -2.579 1.00 0.00 C ATOM 267 CG ASN A 107 52.774 -9.176 -1.634 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.619 -9.288 -0.418 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.969 -8.997 -2.127 1.00 0.00 N ATOM 0 H ASN A 107 51.006 -7.771 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 107 49.435 -9.167 -2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.607 -10.177 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.629 -8.432 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 107 54.776 -8.950 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 107 54.096 -8.904 -3.135 1.00 0.00 H new ATOM 276 N ALA A 108 50.326 -10.099 0.461 1.00 0.00 N ATOM 277 CA ALA A 108 50.248 -11.163 1.459 1.00 0.00 C ATOM 278 C ALA A 108 51.463 -12.083 1.371 1.00 0.00 C ATOM 279 O ALA A 108 51.329 -13.297 1.214 1.00 0.00 O ATOM 280 CB ALA A 108 48.981 -11.996 1.258 1.00 0.00 C ATOM 0 H ALA A 108 50.488 -9.168 0.844 1.00 0.00 H new ATOM 0 HA ALA A 108 50.224 -10.691 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.940 -12.784 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.105 -11.355 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.994 -12.444 0.264 1.00 0.00 H new ATOM 286 N ASP A 109 52.649 -11.494 1.481 1.00 0.00 N ATOM 287 CA ASP A 109 53.883 -12.276 1.418 1.00 0.00 C ATOM 288 C ASP A 109 54.764 -11.996 2.634 1.00 0.00 C ATOM 289 O ASP A 109 55.517 -12.860 3.083 1.00 0.00 O ATOM 290 CB ASP A 109 54.665 -11.951 0.143 1.00 0.00 C ATOM 291 CG ASP A 109 55.115 -10.496 0.174 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.577 -9.747 0.972 1.00 0.00 O ATOM 293 OD2 ASP A 109 55.989 -10.150 -0.603 1.00 0.00 O ATOM 0 H ASP A 109 52.784 -10.492 1.613 1.00 0.00 H new ATOM 0 HA ASP A 109 53.607 -13.330 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.531 -12.608 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.042 -12.131 -0.733 1.00 0.00 H new ATOM 298 N GLY A 110 54.661 -10.780 3.166 1.00 0.00 N ATOM 299 CA GLY A 110 55.453 -10.402 4.334 1.00 0.00 C ATOM 300 C GLY A 110 56.744 -9.705 3.916 1.00 0.00 C ATOM 301 O GLY A 110 57.665 -9.542 4.717 1.00 0.00 O ATOM 0 H GLY A 110 54.045 -10.048 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 110 54.870 -9.741 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 110 55.688 -11.290 4.921 1.00 0.00 H new ATOM 305 N TYR A 111 56.802 -9.296 2.652 1.00 0.00 N ATOM 306 CA TYR A 111 57.988 -8.616 2.137 1.00 0.00 C ATOM 307 C TYR A 111 57.635 -7.773 0.914 1.00 0.00 C ATOM 308 O TYR A 111 57.348 -8.303 -0.160 1.00 0.00 O ATOM 309 CB TYR A 111 59.062 -9.634 1.744 1.00 0.00 C ATOM 310 CG TYR A 111 59.507 -10.398 2.969 1.00 0.00 C ATOM 311 CD1 TYR A 111 58.853 -11.581 3.334 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.576 -9.923 3.739 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.266 -12.289 4.468 1.00 0.00 C ATOM 314 CE2 TYR A 111 60.989 -10.631 4.874 1.00 0.00 C ATOM 315 CZ TYR A 111 60.335 -11.814 5.239 1.00 0.00 C ATOM 316 OH TYR A 111 60.742 -12.511 6.357 1.00 0.00 O ATOM 0 H TYR A 111 56.052 -9.421 1.972 1.00 0.00 H new ATOM 0 HA TYR A 111 58.370 -7.969 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.669 -10.323 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.913 -9.124 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.029 -11.947 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.081 -9.011 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 111 58.761 -13.201 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 111 61.813 -10.264 5.469 1.00 0.00 H new ATOM 0 HH TYR A 111 61.496 -12.046 6.776 1.00 0.00 H new ATOM 326 N ILE A 112 57.667 -6.453 1.084 1.00 0.00 N ATOM 327 CA ILE A 112 57.354 -5.549 -0.020 1.00 0.00 C ATOM 328 C ILE A 112 58.307 -5.801 -1.185 1.00 0.00 C ATOM 329 O ILE A 112 59.465 -6.168 -0.988 1.00 0.00 O ATOM 330 CB ILE A 112 57.480 -4.090 0.426 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.333 -3.750 1.380 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.409 -3.172 -0.797 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.903 -3.319 2.733 1.00 0.00 C ATOM 0 H ILE A 112 57.903 -5.991 1.962 1.00 0.00 H new ATOM 0 HA ILE A 112 56.328 -5.737 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 112 58.434 -3.947 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.722 -2.951 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.683 -4.616 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.499 -2.134 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.223 -3.413 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.455 -3.315 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.085 -3.077 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.496 -4.131 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.535 -2.441 2.599 1.00 0.00 H new ATOM 345 N ASP A 113 57.806 -5.610 -2.403 1.00 0.00 N ATOM 346 CA ASP A 113 58.626 -5.831 -3.592 1.00 0.00 C ATOM 347 C ASP A 113 58.493 -4.668 -4.570 1.00 0.00 C ATOM 348 O ASP A 113 57.529 -3.904 -4.527 1.00 0.00 O ATOM 349 CB ASP A 113 58.209 -7.124 -4.298 1.00 0.00 C ATOM 350 CG ASP A 113 56.728 -7.393 -4.045 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.389 -7.715 -2.918 1.00 0.00 O ATOM 352 OD2 ASP A 113 55.956 -7.273 -4.981 1.00 0.00 O ATOM 0 H ASP A 113 56.851 -5.307 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 113 59.663 -5.909 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.396 -7.042 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.808 -7.959 -3.933 1.00 0.00 H new ATOM 357 N LEU A 114 59.479 -4.549 -5.456 1.00 0.00 N ATOM 358 CA LEU A 114 59.480 -3.482 -6.454 1.00 0.00 C ATOM 359 C LEU A 114 58.145 -3.440 -7.190 1.00 0.00 C ATOM 360 O LEU A 114 57.719 -2.392 -7.675 1.00 0.00 O ATOM 361 CB LEU A 114 60.606 -3.708 -7.468 1.00 0.00 C ATOM 362 CG LEU A 114 60.468 -2.721 -8.630 1.00 0.00 C ATOM 363 CD1 LEU A 114 60.862 -1.319 -8.162 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.392 -3.152 -9.773 1.00 0.00 C ATOM 0 H LEU A 114 60.283 -5.174 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 114 59.637 -2.534 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.574 -3.580 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.570 -4.731 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 114 59.435 -2.711 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 114 60.763 -0.618 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 114 60.209 -1.011 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.895 -1.328 -7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.296 -2.451 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.424 -3.161 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 114 61.114 -4.151 -10.108 1.00 0.00 H new ATOM 376 N GLU A 115 57.492 -4.595 -7.271 1.00 0.00 N ATOM 377 CA GLU A 115 56.204 -4.685 -7.954 1.00 0.00 C ATOM 378 C GLU A 115 55.177 -3.777 -7.285 1.00 0.00 C ATOM 379 O GLU A 115 54.425 -3.067 -7.953 1.00 0.00 O ATOM 380 CB GLU A 115 55.685 -6.124 -7.932 1.00 0.00 C ATOM 381 CG GLU A 115 56.440 -6.957 -8.971 1.00 0.00 C ATOM 382 CD GLU A 115 57.131 -8.129 -8.282 1.00 0.00 C ATOM 383 OE1 GLU A 115 56.452 -8.864 -7.583 1.00 0.00 O ATOM 384 OE2 GLU A 115 58.328 -8.276 -8.465 1.00 0.00 O ATOM 0 H GLU A 115 57.828 -5.474 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 115 56.351 -4.367 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.818 -6.554 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.616 -6.139 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.749 -7.324 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.176 -6.338 -9.483 1.00 0.00 H new ATOM 391 N GLU A 116 55.152 -3.810 -5.955 1.00 0.00 N ATOM 392 CA GLU A 116 54.210 -2.988 -5.200 1.00 0.00 C ATOM 393 C GLU A 116 54.683 -1.538 -5.152 1.00 0.00 C ATOM 394 O GLU A 116 53.881 -0.612 -5.026 1.00 0.00 O ATOM 395 CB GLU A 116 54.067 -3.516 -3.770 1.00 0.00 C ATOM 396 CG GLU A 116 54.102 -5.045 -3.786 1.00 0.00 C ATOM 397 CD GLU A 116 53.706 -5.577 -2.413 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.037 -4.932 -1.432 1.00 0.00 O ATOM 399 OE2 GLU A 116 53.078 -6.621 -2.363 1.00 0.00 O ATOM 0 H GLU A 116 55.766 -4.390 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 116 53.244 -3.036 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.873 -3.130 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.131 -3.167 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.421 -5.427 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.101 -5.394 -4.049 1.00 0.00 H new ATOM 406 N LEU A 117 55.996 -1.350 -5.255 1.00 0.00 N ATOM 407 CA LEU A 117 56.568 -0.007 -5.221 1.00 0.00 C ATOM 408 C LEU A 117 55.976 0.852 -6.334 1.00 0.00 C ATOM 409 O LEU A 117 55.261 1.821 -6.075 1.00 0.00 O ATOM 410 CB LEU A 117 58.088 -0.064 -5.389 1.00 0.00 C ATOM 411 CG LEU A 117 58.760 0.543 -4.156 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.298 -0.578 -3.266 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.915 1.445 -4.597 1.00 0.00 C ATOM 0 H LEU A 117 56.677 -2.101 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 117 56.329 0.435 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.412 -1.096 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.386 0.481 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 117 58.033 1.132 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.777 -0.147 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.475 -1.220 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.026 -1.167 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.394 1.878 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.643 0.857 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.531 2.244 -5.232 1.00 0.00 H new ATOM 425 N LYS A 118 56.278 0.486 -7.576 1.00 0.00 N ATOM 426 CA LYS A 118 55.765 1.233 -8.722 1.00 0.00 C ATOM 427 C LYS A 118 54.294 1.573 -8.512 1.00 0.00 C ATOM 428 O LYS A 118 53.855 2.693 -8.774 1.00 0.00 O ATOM 429 CB LYS A 118 55.906 0.414 -10.007 1.00 0.00 C ATOM 430 CG LYS A 118 57.311 -0.185 -10.086 1.00 0.00 C ATOM 431 CD LYS A 118 57.557 -0.719 -11.499 1.00 0.00 C ATOM 432 CE LYS A 118 59.061 -0.808 -11.759 1.00 0.00 C ATOM 433 NZ LYS A 118 59.298 -1.103 -13.201 1.00 0.00 N ATOM 0 H LYS A 118 56.867 -0.312 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 118 56.346 2.150 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.160 -0.381 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 118 55.721 1.047 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 118 58.055 0.571 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.417 -0.989 -9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 118 57.099 -1.702 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 118 57.089 -0.063 -12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 118 59.545 0.129 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 118 59.503 -1.588 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 60.321 -1.164 -13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 58.849 -2.008 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 58.890 -0.343 -13.782 1.00 0.00 H new ATOM 447 N ILE A 119 53.538 0.588 -8.036 1.00 0.00 N ATOM 448 CA ILE A 119 52.111 0.783 -7.791 1.00 0.00 C ATOM 449 C ILE A 119 51.886 1.947 -6.832 1.00 0.00 C ATOM 450 O ILE A 119 50.969 2.748 -7.011 1.00 0.00 O ATOM 451 CB ILE A 119 51.494 -0.484 -7.194 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.571 -1.619 -8.218 1.00 0.00 C ATOM 453 CG2 ILE A 119 50.030 -0.221 -6.836 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.814 -2.838 -7.688 1.00 0.00 C ATOM 0 H ILE A 119 53.885 -0.345 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 119 51.633 1.005 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 119 52.043 -0.765 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 119 51.143 -1.296 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.612 -1.879 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.592 -1.124 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.973 0.588 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.481 0.061 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.869 -3.646 -8.418 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.262 -3.165 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.770 -2.573 -7.518 1.00 0.00 H new ATOM 466 N MET A 120 52.732 2.033 -5.809 1.00 0.00 N ATOM 467 CA MET A 120 52.615 3.105 -4.824 1.00 0.00 C ATOM 468 C MET A 120 52.830 4.463 -5.485 1.00 0.00 C ATOM 469 O MET A 120 52.076 5.408 -5.257 1.00 0.00 O ATOM 470 CB MET A 120 53.646 2.927 -3.709 1.00 0.00 C ATOM 471 CG MET A 120 53.148 3.618 -2.438 1.00 0.00 C ATOM 472 SD MET A 120 51.678 2.760 -1.822 1.00 0.00 S ATOM 473 CE MET A 120 51.446 3.755 -0.329 1.00 0.00 C ATOM 0 H MET A 120 53.498 1.381 -5.641 1.00 0.00 H new ATOM 0 HA MET A 120 51.612 3.060 -4.400 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.811 1.867 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.604 3.349 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.930 3.614 -1.679 1.00 0.00 H new ATOM 0 HG3 MET A 120 52.912 4.662 -2.647 1.00 0.00 H new ATOM 0 HE1 MET A 120 50.575 3.393 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.330 3.674 0.303 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.293 4.798 -0.607 1.00 0.00 H new ATOM 483 N LEU A 121 53.872 4.547 -6.307 1.00 0.00 N ATOM 484 CA LEU A 121 54.184 5.794 -7.000 1.00 0.00 C ATOM 485 C LEU A 121 53.019 6.208 -7.895 1.00 0.00 C ATOM 486 O LEU A 121 52.412 7.261 -7.700 1.00 0.00 O ATOM 487 CB LEU A 121 55.444 5.633 -7.853 1.00 0.00 C ATOM 488 CG LEU A 121 56.523 4.916 -7.040 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.853 4.971 -7.792 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.680 5.602 -5.680 1.00 0.00 C ATOM 0 H LEU A 121 54.509 3.776 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 121 54.356 6.565 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.215 5.065 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.805 6.610 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 121 56.232 3.876 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.621 4.460 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.744 4.482 -8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 121 58.144 6.011 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.449 5.091 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.969 6.642 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.733 5.562 -5.141 1.00 0.00 H new ATOM 502 N GLN A 122 52.710 5.364 -8.877 1.00 0.00 N ATOM 503 CA GLN A 122 51.610 5.651 -9.793 1.00 0.00 C ATOM 504 C GLN A 122 50.340 5.956 -9.007 1.00 0.00 C ATOM 505 O GLN A 122 49.501 6.749 -9.434 1.00 0.00 O ATOM 506 CB GLN A 122 51.349 4.456 -10.714 1.00 0.00 C ATOM 507 CG GLN A 122 52.670 3.976 -11.316 1.00 0.00 C ATOM 508 CD GLN A 122 52.624 4.129 -12.832 1.00 0.00 C ATOM 509 OE1 GLN A 122 51.548 4.152 -13.428 1.00 0.00 O ATOM 510 NE2 GLN A 122 53.741 4.237 -13.498 1.00 0.00 N ATOM 0 H GLN A 122 53.199 4.487 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 122 51.888 6.516 -10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 122 50.878 3.648 -10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.658 4.739 -11.507 1.00 0.00 H new ATOM 0 HG2 GLN A 122 53.499 4.553 -10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 122 52.845 2.934 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 122 54.633 4.218 -13.004 1.00 0.00 H new ATOM 0 HE22 GLN A 122 53.722 4.340 -14.513 1.00 0.00 H new ATOM 519 N ALA A 123 50.214 5.316 -7.848 1.00 0.00 N ATOM 520 CA ALA A 123 49.046 5.520 -6.997 1.00 0.00 C ATOM 521 C ALA A 123 49.145 6.859 -6.275 1.00 0.00 C ATOM 522 O ALA A 123 48.254 7.702 -6.374 1.00 0.00 O ATOM 523 CB ALA A 123 48.937 4.402 -5.960 1.00 0.00 C ATOM 0 H ALA A 123 50.900 4.657 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 123 48.160 5.512 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 123 48.061 4.570 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.841 3.442 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.832 4.395 -5.337 1.00 0.00 H new ATOM 529 N THR A 124 50.243 7.046 -5.547 1.00 0.00 N ATOM 530 CA THR A 124 50.451 8.289 -4.810 1.00 0.00 C ATOM 531 C THR A 124 50.159 9.488 -5.703 1.00 0.00 C ATOM 532 O THR A 124 49.087 10.089 -5.633 1.00 0.00 O ATOM 533 CB THR A 124 51.894 8.383 -4.310 1.00 0.00 C ATOM 534 OG1 THR A 124 52.784 8.248 -5.409 1.00 0.00 O ATOM 535 CG2 THR A 124 52.160 7.270 -3.296 1.00 0.00 C ATOM 0 H THR A 124 50.994 6.362 -5.452 1.00 0.00 H new ATOM 0 HA THR A 124 49.772 8.292 -3.958 1.00 0.00 H new ATOM 0 HB THR A 124 52.050 9.350 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 124 52.375 7.679 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 124 53.188 7.339 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 124 51.477 7.375 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 124 52.004 6.301 -3.770 1.00 0.00 H new ATOM 543 N GLY A 125 51.129 9.829 -6.545 1.00 0.00 N ATOM 544 CA GLY A 125 50.973 10.960 -7.455 1.00 0.00 C ATOM 545 C GLY A 125 51.567 10.640 -8.822 1.00 0.00 C ATOM 546 O GLY A 125 51.740 11.524 -9.661 1.00 0.00 O ATOM 0 H GLY A 125 52.024 9.344 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 125 49.916 11.204 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 125 51.463 11.839 -7.037 1.00 0.00 H new ATOM 550 N GLU A 126 51.877 9.364 -9.038 1.00 0.00 N ATOM 551 CA GLU A 126 52.451 8.937 -10.311 1.00 0.00 C ATOM 552 C GLU A 126 53.447 9.977 -10.815 1.00 0.00 C ATOM 553 O GLU A 126 53.930 10.814 -10.051 1.00 0.00 O ATOM 554 CB GLU A 126 51.349 8.740 -11.355 1.00 0.00 C ATOM 555 CG GLU A 126 50.690 10.085 -11.664 1.00 0.00 C ATOM 556 CD GLU A 126 49.818 9.951 -12.908 1.00 0.00 C ATOM 557 OE1 GLU A 126 49.515 8.828 -13.276 1.00 0.00 O ATOM 558 OE2 GLU A 126 49.466 10.973 -13.475 1.00 0.00 O ATOM 0 H GLU A 126 51.743 8.616 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 126 52.967 7.990 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.769 8.311 -12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.605 8.035 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 126 50.086 10.409 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 126 51.452 10.848 -11.822 1.00 0.00 H new ATOM 565 N THR A 127 53.755 9.916 -12.107 1.00 0.00 N ATOM 566 CA THR A 127 54.702 10.859 -12.696 1.00 0.00 C ATOM 567 C THR A 127 55.997 10.869 -11.892 1.00 0.00 C ATOM 568 O THR A 127 56.402 11.899 -11.351 1.00 0.00 O ATOM 569 CB THR A 127 54.115 12.272 -12.710 1.00 0.00 C ATOM 570 OG1 THR A 127 52.861 12.255 -13.376 1.00 0.00 O ATOM 571 CG2 THR A 127 55.072 13.216 -13.441 1.00 0.00 C ATOM 0 H THR A 127 53.369 9.233 -12.759 1.00 0.00 H new ATOM 0 HA THR A 127 54.905 10.543 -13.719 1.00 0.00 H new ATOM 0 HB THR A 127 53.977 12.620 -11.686 1.00 0.00 H new ATOM 0 HG1 THR A 127 52.483 13.159 -13.384 1.00 0.00 H new ATOM 0 HG21 THR A 127 54.654 14.222 -13.451 1.00 0.00 H new ATOM 0 HG22 THR A 127 56.034 13.228 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 127 55.211 12.871 -14.466 1.00 0.00 H new ATOM 579 N ILE A 128 56.638 9.707 -11.813 1.00 0.00 N ATOM 580 CA ILE A 128 57.885 9.584 -11.064 1.00 0.00 C ATOM 581 C ILE A 128 58.989 9.009 -11.948 1.00 0.00 C ATOM 582 O ILE A 128 58.747 8.139 -12.783 1.00 0.00 O ATOM 583 CB ILE A 128 57.685 8.672 -9.854 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.515 9.193 -9.017 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.954 8.661 -9.001 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.903 10.522 -8.367 1.00 0.00 C ATOM 0 H ILE A 128 56.319 8.844 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 128 58.178 10.579 -10.728 1.00 0.00 H new ATOM 0 HB ILE A 128 57.471 7.659 -10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.635 9.327 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.250 8.465 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.808 8.010 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 128 59.789 8.293 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.171 9.673 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.069 10.893 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.771 10.373 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.146 11.249 -9.142 1.00 0.00 H new ATOM 598 N THR A 129 60.207 9.509 -11.751 1.00 0.00 N ATOM 599 CA THR A 129 61.349 9.044 -12.532 1.00 0.00 C ATOM 600 C THR A 129 61.882 7.729 -11.968 1.00 0.00 C ATOM 601 O THR A 129 61.614 7.376 -10.820 1.00 0.00 O ATOM 602 CB THR A 129 62.470 10.085 -12.509 1.00 0.00 C ATOM 603 OG1 THR A 129 61.904 11.388 -12.503 1.00 0.00 O ATOM 604 CG2 THR A 129 63.352 9.916 -13.746 1.00 0.00 C ATOM 0 H THR A 129 60.427 10.230 -11.063 1.00 0.00 H new ATOM 0 HA THR A 129 61.015 8.890 -13.558 1.00 0.00 H new ATOM 0 HB THR A 129 63.075 9.947 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 129 62.621 12.056 -12.487 1.00 0.00 H new ATOM 0 HG21 THR A 129 64.150 10.658 -13.728 1.00 0.00 H new ATOM 0 HG22 THR A 129 63.786 8.916 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 129 62.749 10.053 -14.644 1.00 0.00 H new ATOM 612 N GLU A 130 62.641 7.010 -12.791 1.00 0.00 N ATOM 613 CA GLU A 130 63.210 5.734 -12.366 1.00 0.00 C ATOM 614 C GLU A 130 64.204 5.949 -11.230 1.00 0.00 C ATOM 615 O GLU A 130 64.553 5.018 -10.505 1.00 0.00 O ATOM 616 CB GLU A 130 63.926 5.047 -13.531 1.00 0.00 C ATOM 617 CG GLU A 130 62.893 4.419 -14.470 1.00 0.00 C ATOM 618 CD GLU A 130 63.477 3.158 -15.098 1.00 0.00 C ATOM 619 OE1 GLU A 130 64.678 2.971 -14.996 1.00 0.00 O ATOM 620 OE2 GLU A 130 62.714 2.398 -15.672 1.00 0.00 O ATOM 0 H GLU A 130 62.874 7.285 -13.745 1.00 0.00 H new ATOM 0 HA GLU A 130 62.392 5.100 -12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 130 64.534 5.770 -14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 130 64.603 4.280 -13.154 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.985 4.176 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 130 62.613 5.130 -15.248 1.00 0.00 H new ATOM 627 N ASP A 131 64.657 7.191 -11.084 1.00 0.00 N ATOM 628 CA ASP A 131 65.614 7.525 -10.033 1.00 0.00 C ATOM 629 C ASP A 131 64.953 7.447 -8.658 1.00 0.00 C ATOM 630 O ASP A 131 65.616 7.574 -7.629 1.00 0.00 O ATOM 631 CB ASP A 131 66.165 8.937 -10.239 1.00 0.00 C ATOM 632 CG ASP A 131 67.603 8.856 -10.741 1.00 0.00 C ATOM 633 OD1 ASP A 131 68.477 8.581 -9.934 1.00 0.00 O ATOM 634 OD2 ASP A 131 67.810 9.071 -11.923 1.00 0.00 O ATOM 0 H ASP A 131 64.380 7.976 -11.674 1.00 0.00 H new ATOM 0 HA ASP A 131 66.430 6.804 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 131 65.548 9.478 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 131 66.127 9.494 -9.303 1.00 0.00 H new ATOM 639 N ASP A 132 63.639 7.236 -8.650 1.00 0.00 N ATOM 640 CA ASP A 132 62.902 7.142 -7.393 1.00 0.00 C ATOM 641 C ASP A 132 62.389 5.721 -7.182 1.00 0.00 C ATOM 642 O ASP A 132 62.074 5.319 -6.062 1.00 0.00 O ATOM 643 CB ASP A 132 61.713 8.105 -7.396 1.00 0.00 C ATOM 644 CG ASP A 132 62.179 9.492 -7.826 1.00 0.00 C ATOM 645 OD1 ASP A 132 63.354 9.778 -7.663 1.00 0.00 O ATOM 646 OD2 ASP A 132 61.354 10.248 -8.312 1.00 0.00 O ATOM 0 H ASP A 132 63.069 7.128 -9.489 1.00 0.00 H new ATOM 0 HA ASP A 132 63.582 7.408 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.941 7.743 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 132 61.268 8.152 -6.402 1.00 0.00 H new ATOM 651 N ILE A 133 62.311 4.965 -8.272 1.00 0.00 N ATOM 652 CA ILE A 133 61.837 3.586 -8.198 1.00 0.00 C ATOM 653 C ILE A 133 62.997 2.643 -7.900 1.00 0.00 C ATOM 654 O ILE A 133 62.996 1.931 -6.895 1.00 0.00 O ATOM 655 CB ILE A 133 61.184 3.171 -9.518 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.909 3.989 -9.736 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.832 1.683 -9.468 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.555 3.995 -11.224 1.00 0.00 C ATOM 0 H ILE A 133 62.567 5.279 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 133 61.101 3.525 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 133 61.878 3.353 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 133 59.088 3.564 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 133 60.054 5.010 -9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 133 60.367 1.387 -10.408 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.739 1.099 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 133 60.139 1.501 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.647 4.577 -11.380 1.00 0.00 H new ATOM 0 HD12 ILE A 133 60.373 4.440 -11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 133 59.392 2.972 -11.563 1.00 0.00 H new ATOM 670 N GLU A 134 63.988 2.646 -8.786 1.00 0.00 N ATOM 671 CA GLU A 134 65.156 1.786 -8.613 1.00 0.00 C ATOM 672 C GLU A 134 66.021 2.285 -7.461 1.00 0.00 C ATOM 673 O GLU A 134 66.478 1.505 -6.625 1.00 0.00 O ATOM 674 CB GLU A 134 65.997 1.761 -9.891 1.00 0.00 C ATOM 675 CG GLU A 134 65.080 1.888 -11.110 1.00 0.00 C ATOM 676 CD GLU A 134 65.434 0.811 -12.129 1.00 0.00 C ATOM 677 OE1 GLU A 134 64.930 -0.292 -11.996 1.00 0.00 O ATOM 678 OE2 GLU A 134 66.203 1.105 -13.030 1.00 0.00 O ATOM 0 H GLU A 134 64.008 3.228 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 134 64.801 0.780 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 134 66.719 2.577 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.566 0.833 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 134 64.038 1.787 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.188 2.876 -11.558 1.00 0.00 H new ATOM 685 N GLU A 135 66.240 3.597 -7.425 1.00 0.00 N ATOM 686 CA GLU A 135 67.053 4.195 -6.370 1.00 0.00 C ATOM 687 C GLU A 135 66.447 3.900 -5.002 1.00 0.00 C ATOM 688 O GLU A 135 67.014 3.155 -4.203 1.00 0.00 O ATOM 689 CB GLU A 135 67.145 5.710 -6.558 1.00 0.00 C ATOM 690 CG GLU A 135 68.358 6.247 -5.797 1.00 0.00 C ATOM 691 CD GLU A 135 67.946 7.465 -4.977 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.319 8.348 -5.539 1.00 0.00 O ATOM 693 OE2 GLU A 135 68.264 7.497 -3.800 1.00 0.00 O ATOM 0 H GLU A 135 65.870 4.260 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 135 68.052 3.762 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 135 67.232 5.951 -7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 135 66.235 6.188 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.761 5.474 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 135 69.149 6.517 -6.497 1.00 0.00 H new ATOM 700 N LEU A 136 65.286 4.495 -4.744 1.00 0.00 N ATOM 701 CA LEU A 136 64.606 4.290 -3.469 1.00 0.00 C ATOM 702 C LEU A 136 64.460 2.800 -3.180 1.00 0.00 C ATOM 703 O LEU A 136 64.404 2.378 -2.024 1.00 0.00 O ATOM 704 CB LEU A 136 63.219 4.934 -3.493 1.00 0.00 C ATOM 705 CG LEU A 136 62.970 5.658 -2.169 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.868 6.702 -2.357 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.537 4.644 -1.107 1.00 0.00 C ATOM 0 H LEU A 136 64.801 5.116 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 136 65.206 4.755 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 136 63.147 5.637 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.456 4.173 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 136 63.887 6.152 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.691 7.218 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.176 7.424 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.951 6.209 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.359 5.159 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.620 4.149 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.323 3.900 -0.972 1.00 0.00 H new ATOM 719 N MET A 137 64.403 2.007 -4.247 1.00 0.00 N ATOM 720 CA MET A 137 64.268 0.560 -4.104 1.00 0.00 C ATOM 721 C MET A 137 65.583 -0.046 -3.621 1.00 0.00 C ATOM 722 O MET A 137 65.596 -1.013 -2.860 1.00 0.00 O ATOM 723 CB MET A 137 63.884 -0.075 -5.443 1.00 0.00 C ATOM 724 CG MET A 137 64.008 -1.597 -5.346 1.00 0.00 C ATOM 725 SD MET A 137 62.910 -2.211 -4.045 1.00 0.00 S ATOM 726 CE MET A 137 63.027 -3.968 -4.462 1.00 0.00 C ATOM 0 H MET A 137 64.448 2.338 -5.211 1.00 0.00 H new ATOM 0 HA MET A 137 63.485 0.360 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.863 0.200 -5.708 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.531 0.303 -6.235 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.750 -2.055 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 137 65.039 -1.875 -5.128 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.030 -4.409 -4.463 1.00 0.00 H new ATOM 0 HE2 MET A 137 63.474 -4.078 -5.450 1.00 0.00 H new ATOM 0 HE3 MET A 137 63.648 -4.477 -3.724 1.00 0.00 H new ATOM 736 N LYS A 138 66.688 0.538 -4.074 1.00 0.00 N ATOM 737 CA LYS A 138 68.010 0.054 -3.686 1.00 0.00 C ATOM 738 C LYS A 138 68.371 0.555 -2.291 1.00 0.00 C ATOM 739 O LYS A 138 68.814 -0.212 -1.435 1.00 0.00 O ATOM 740 CB LYS A 138 69.069 0.535 -4.679 1.00 0.00 C ATOM 741 CG LYS A 138 68.993 -0.307 -5.955 1.00 0.00 C ATOM 742 CD LYS A 138 69.757 -1.616 -5.748 1.00 0.00 C ATOM 743 CE LYS A 138 69.163 -2.703 -6.644 1.00 0.00 C ATOM 744 NZ LYS A 138 68.865 -3.913 -5.826 1.00 0.00 N ATOM 0 H LYS A 138 66.696 1.340 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 138 67.983 -1.036 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.910 1.587 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.062 0.454 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 138 67.953 -0.516 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.417 0.245 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.812 -1.474 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 138 69.700 -1.921 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 138 68.252 -2.339 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 138 69.862 -2.953 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 68.806 -4.746 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 69.622 -4.055 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 67.959 -3.784 -5.333 1.00 0.00 H new ATOM 758 N ASP A 139 68.176 1.852 -2.071 1.00 0.00 N ATOM 759 CA ASP A 139 68.484 2.451 -0.775 1.00 0.00 C ATOM 760 C ASP A 139 67.678 1.773 0.330 1.00 0.00 C ATOM 761 O ASP A 139 67.987 1.906 1.514 1.00 0.00 O ATOM 762 CB ASP A 139 68.156 3.945 -0.783 1.00 0.00 C ATOM 763 CG ASP A 139 69.284 4.712 -1.464 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.629 4.355 -2.579 1.00 0.00 O ATOM 765 OD2 ASP A 139 69.787 5.646 -0.861 1.00 0.00 O ATOM 0 H ASP A 139 67.810 2.503 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 139 69.549 2.314 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 139 67.216 4.119 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 139 68.023 4.304 0.238 1.00 0.00 H new ATOM 770 N GLY A 140 66.638 1.047 -0.072 1.00 0.00 N ATOM 771 CA GLY A 140 65.787 0.353 0.892 1.00 0.00 C ATOM 772 C GLY A 140 66.078 -1.144 0.897 1.00 0.00 C ATOM 773 O GLY A 140 65.216 -1.957 1.234 1.00 0.00 O ATOM 0 H GLY A 140 66.366 0.924 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.951 0.763 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.739 0.523 0.646 1.00 0.00 H new ATOM 777 N ASP A 141 67.303 -1.501 0.523 1.00 0.00 N ATOM 778 CA ASP A 141 67.697 -2.907 0.491 1.00 0.00 C ATOM 779 C ASP A 141 69.128 -3.069 0.991 1.00 0.00 C ATOM 780 O ASP A 141 69.989 -3.604 0.292 1.00 0.00 O ATOM 781 CB ASP A 141 67.599 -3.461 -0.931 1.00 0.00 C ATOM 782 CG ASP A 141 67.043 -4.880 -0.887 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.497 -5.250 0.139 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.171 -5.577 -1.881 1.00 0.00 O ATOM 0 H ASP A 141 68.032 -0.846 0.241 1.00 0.00 H new ATOM 0 HA ASP A 141 67.019 -3.461 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.954 -2.825 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.582 -3.459 -1.402 1.00 0.00 H new ATOM 789 N LYS A 142 69.371 -2.601 2.212 1.00 0.00 N ATOM 790 CA LYS A 142 70.703 -2.698 2.802 1.00 0.00 C ATOM 791 C LYS A 142 71.339 -4.041 2.459 1.00 0.00 C ATOM 792 O LYS A 142 72.447 -4.101 1.926 1.00 0.00 O ATOM 793 CB LYS A 142 70.630 -2.553 4.323 1.00 0.00 C ATOM 794 CG LYS A 142 72.018 -2.210 4.869 1.00 0.00 C ATOM 795 CD LYS A 142 71.885 -1.191 6.003 1.00 0.00 C ATOM 796 CE LYS A 142 71.377 0.137 5.441 1.00 0.00 C ATOM 797 NZ LYS A 142 72.082 1.264 6.116 1.00 0.00 N ATOM 0 H LYS A 142 68.672 -2.156 2.807 1.00 0.00 H new ATOM 0 HA LYS A 142 71.312 -1.892 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.919 -1.772 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.270 -3.479 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.510 -3.112 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.643 -1.805 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 142 71.197 -1.564 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 142 72.849 -1.046 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 142 71.549 0.179 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 142 70.301 0.222 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 71.737 2.168 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 71.897 1.227 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 73.105 1.185 5.947 1.00 0.00 H new ATOM 811 N ASN A 143 70.625 -5.120 2.771 1.00 0.00 N ATOM 812 CA ASN A 143 71.130 -6.461 2.490 1.00 0.00 C ATOM 813 C ASN A 143 71.171 -6.709 0.985 1.00 0.00 C ATOM 814 O ASN A 143 72.050 -7.407 0.479 1.00 0.00 O ATOM 815 CB ASN A 143 70.244 -7.521 3.151 1.00 0.00 C ATOM 816 CG ASN A 143 68.942 -7.667 2.368 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.926 -8.247 1.282 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.840 -7.171 2.858 1.00 0.00 N ATOM 0 H ASN A 143 69.706 -5.094 3.213 1.00 0.00 H new ATOM 0 HA ASN A 143 72.139 -6.533 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.768 -8.476 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 143 70.030 -7.238 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 143 66.965 -7.264 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.853 -6.690 3.758 1.00 0.00 H new ATOM 825 N ASN A 144 70.206 -6.129 0.276 1.00 0.00 N ATOM 826 CA ASN A 144 70.138 -6.292 -1.173 1.00 0.00 C ATOM 827 C ASN A 144 69.861 -7.749 -1.531 1.00 0.00 C ATOM 828 O ASN A 144 70.716 -8.441 -2.084 1.00 0.00 O ATOM 829 CB ASN A 144 71.454 -5.860 -1.823 1.00 0.00 C ATOM 830 CG ASN A 144 71.223 -5.576 -3.303 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.006 -4.430 -3.695 1.00 0.00 O ATOM 832 ND2 ASN A 144 71.258 -6.562 -4.157 1.00 0.00 N ATOM 0 H ASN A 144 69.469 -5.549 0.675 1.00 0.00 H new ATOM 0 HA ASN A 144 69.328 -5.665 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.841 -4.970 -1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.204 -6.642 -1.705 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.106 -6.383 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 144 71.438 -7.512 -3.832 1.00 0.00 H new ATOM 839 N ASP A 145 68.653 -8.205 -1.210 1.00 0.00 N ATOM 840 CA ASP A 145 68.268 -9.582 -1.503 1.00 0.00 C ATOM 841 C ASP A 145 67.117 -9.609 -2.504 1.00 0.00 C ATOM 842 O ASP A 145 66.935 -10.582 -3.236 1.00 0.00 O ATOM 843 CB ASP A 145 67.837 -10.304 -0.224 1.00 0.00 C ATOM 844 CG ASP A 145 66.777 -9.477 0.495 1.00 0.00 C ATOM 845 OD1 ASP A 145 66.360 -8.474 -0.059 1.00 0.00 O ATOM 846 OD2 ASP A 145 66.398 -9.860 1.590 1.00 0.00 O ATOM 0 H ASP A 145 67.931 -7.648 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 145 69.133 -10.091 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.441 -11.290 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 145 68.697 -10.457 0.427 1.00 0.00 H new ATOM 851 N GLY A 146 66.345 -8.526 -2.531 1.00 0.00 N ATOM 852 CA GLY A 146 65.215 -8.432 -3.452 1.00 0.00 C ATOM 853 C GLY A 146 63.901 -8.274 -2.693 1.00 0.00 C ATOM 854 O GLY A 146 62.906 -8.927 -3.007 1.00 0.00 O ATOM 0 H GLY A 146 66.478 -7.710 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.357 -7.583 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.174 -9.326 -4.075 1.00 0.00 H new ATOM 858 N ARG A 147 63.907 -7.397 -1.693 1.00 0.00 N ATOM 859 CA ARG A 147 62.705 -7.158 -0.896 1.00 0.00 C ATOM 860 C ARG A 147 63.036 -6.320 0.335 1.00 0.00 C ATOM 861 O ARG A 147 64.186 -5.941 0.557 1.00 0.00 O ATOM 862 CB ARG A 147 62.089 -8.483 -0.442 1.00 0.00 C ATOM 863 CG ARG A 147 63.164 -9.344 0.224 1.00 0.00 C ATOM 864 CD ARG A 147 62.754 -10.815 0.158 1.00 0.00 C ATOM 865 NE ARG A 147 63.041 -11.486 1.423 1.00 0.00 N ATOM 866 CZ ARG A 147 62.577 -12.707 1.671 1.00 0.00 C ATOM 867 NH1 ARG A 147 61.848 -13.323 0.780 1.00 0.00 N ATOM 868 NH2 ARG A 147 62.847 -13.288 2.809 1.00 0.00 N ATOM 0 H ARG A 147 64.719 -6.846 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 147 61.992 -6.620 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.273 -8.297 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.663 -9.010 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.122 -9.200 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.297 -9.039 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 147 61.690 -10.892 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 147 63.288 -11.311 -0.652 1.00 0.00 H new ATOM 0 HE ARG A 147 63.606 -11.011 2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 147 61.634 -12.868 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 147 61.492 -14.260 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 147 63.413 -12.805 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 147 62.492 -14.225 3.000 1.00 0.00 H new ATOM 882 N ILE A 148 62.009 -6.039 1.133 1.00 0.00 N ATOM 883 CA ILE A 148 62.189 -5.248 2.347 1.00 0.00 C ATOM 884 C ILE A 148 61.782 -6.063 3.571 1.00 0.00 C ATOM 885 O ILE A 148 60.880 -6.898 3.503 1.00 0.00 O ATOM 886 CB ILE A 148 61.341 -3.977 2.288 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.341 -3.433 0.858 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.924 -2.926 3.234 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.715 -2.841 0.534 1.00 0.00 C ATOM 0 H ILE A 148 61.051 -6.344 0.963 1.00 0.00 H new ATOM 0 HA ILE A 148 63.242 -4.975 2.423 1.00 0.00 H new ATOM 0 HB ILE A 148 60.320 -4.208 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.102 -4.231 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.570 -2.670 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.318 -2.021 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.924 -3.314 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.946 -2.693 2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.713 -2.454 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.935 -2.031 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.476 -3.616 0.627 1.00 0.00 H new ATOM 901 N ASP A 149 62.458 -5.817 4.689 1.00 0.00 N ATOM 902 CA ASP A 149 62.158 -6.541 5.921 1.00 0.00 C ATOM 903 C ASP A 149 61.828 -5.571 7.051 1.00 0.00 C ATOM 904 O ASP A 149 62.312 -4.440 7.082 1.00 0.00 O ATOM 905 CB ASP A 149 63.349 -7.406 6.335 1.00 0.00 C ATOM 906 CG ASP A 149 63.508 -8.555 5.346 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.126 -8.381 4.200 1.00 0.00 O ATOM 908 OD2 ASP A 149 64.009 -9.592 5.748 1.00 0.00 O ATOM 0 H ASP A 149 63.208 -5.131 4.768 1.00 0.00 H new ATOM 0 HA ASP A 149 61.294 -7.178 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.258 -6.805 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.197 -7.796 7.341 1.00 0.00 H new ATOM 913 N TYR A 150 60.994 -6.031 7.979 1.00 0.00 N ATOM 914 CA TYR A 150 60.594 -5.203 9.114 1.00 0.00 C ATOM 915 C TYR A 150 61.797 -4.460 9.688 1.00 0.00 C ATOM 916 O TYR A 150 61.671 -3.347 10.197 1.00 0.00 O ATOM 917 CB TYR A 150 59.971 -6.069 10.212 1.00 0.00 C ATOM 918 CG TYR A 150 59.121 -5.207 11.115 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.155 -4.357 10.564 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.299 -5.259 12.503 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.365 -3.559 11.401 1.00 0.00 C ATOM 922 CE2 TYR A 150 58.509 -4.461 13.340 1.00 0.00 C ATOM 923 CZ TYR A 150 57.543 -3.611 12.789 1.00 0.00 C ATOM 924 OH TYR A 150 56.764 -2.825 13.613 1.00 0.00 O ATOM 0 H TYR A 150 60.584 -6.965 7.969 1.00 0.00 H new ATOM 0 HA TYR A 150 59.860 -4.480 8.759 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.363 -6.857 9.767 1.00 0.00 H new ATOM 0 HB3 TYR A 150 60.754 -6.559 10.791 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.019 -4.317 9.493 1.00 0.00 H new ATOM 0 HD2 TYR A 150 60.045 -5.914 12.928 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.619 -2.904 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 150 58.645 -4.501 14.411 1.00 0.00 H new ATOM 0 HH TYR A 150 57.014 -2.982 14.547 1.00 0.00 H new ATOM 934 N ASP A 151 62.967 -5.088 9.602 1.00 0.00 N ATOM 935 CA ASP A 151 64.187 -4.473 10.118 1.00 0.00 C ATOM 936 C ASP A 151 64.610 -3.307 9.231 1.00 0.00 C ATOM 937 O ASP A 151 64.847 -2.198 9.710 1.00 0.00 O ATOM 938 CB ASP A 151 65.325 -5.496 10.171 1.00 0.00 C ATOM 939 CG ASP A 151 64.916 -6.669 11.055 1.00 0.00 C ATOM 940 OD1 ASP A 151 63.783 -6.679 11.505 1.00 0.00 O ATOM 941 OD2 ASP A 151 65.744 -7.540 11.269 1.00 0.00 O ATOM 0 H ASP A 151 63.096 -6.010 9.186 1.00 0.00 H new ATOM 0 HA ASP A 151 63.980 -4.110 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.558 -5.848 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.229 -5.030 10.563 1.00 0.00 H new ATOM 946 N GLU A 152 64.704 -3.572 7.931 1.00 0.00 N ATOM 947 CA GLU A 152 65.102 -2.543 6.978 1.00 0.00 C ATOM 948 C GLU A 152 63.967 -1.549 6.750 1.00 0.00 C ATOM 949 O GLU A 152 64.198 -0.350 6.587 1.00 0.00 O ATOM 950 CB GLU A 152 65.485 -3.183 5.645 1.00 0.00 C ATOM 951 CG GLU A 152 66.409 -4.375 5.901 1.00 0.00 C ATOM 952 CD GLU A 152 65.984 -5.548 5.025 1.00 0.00 C ATOM 953 OE1 GLU A 152 64.897 -5.490 4.475 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.753 -6.490 4.918 1.00 0.00 O ATOM 0 H GLU A 152 64.511 -4.484 7.516 1.00 0.00 H new ATOM 0 HA GLU A 152 65.960 -2.013 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.590 -3.510 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.984 -2.452 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.441 -4.101 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.369 -4.660 6.952 1.00 0.00 H new ATOM 961 N PHE A 153 62.737 -2.057 6.739 1.00 0.00 N ATOM 962 CA PHE A 153 61.574 -1.198 6.529 1.00 0.00 C ATOM 963 C PHE A 153 61.422 -0.222 7.690 1.00 0.00 C ATOM 964 O PHE A 153 60.942 0.899 7.521 1.00 0.00 O ATOM 965 CB PHE A 153 60.298 -2.034 6.410 1.00 0.00 C ATOM 966 CG PHE A 153 59.256 -1.257 5.640 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.418 -0.356 6.309 1.00 0.00 C ATOM 968 CD2 PHE A 153 59.129 -1.436 4.258 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.452 0.364 5.595 1.00 0.00 C ATOM 970 CE2 PHE A 153 58.164 -0.716 3.543 1.00 0.00 C ATOM 971 CZ PHE A 153 57.325 0.184 4.212 1.00 0.00 C ATOM 0 H PHE A 153 62.521 -3.045 6.871 1.00 0.00 H new ATOM 0 HA PHE A 153 61.728 -0.645 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.513 -2.975 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 153 59.921 -2.285 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 153 58.517 -0.216 7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 153 59.776 -2.130 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 153 56.805 1.058 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 153 58.067 -0.855 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.580 0.739 3.661 1.00 0.00 H new ATOM 981 N LEU A 154 61.841 -0.662 8.874 1.00 0.00 N ATOM 982 CA LEU A 154 61.751 0.179 10.064 1.00 0.00 C ATOM 983 C LEU A 154 62.776 1.307 9.993 1.00 0.00 C ATOM 984 O LEU A 154 62.491 2.449 10.355 1.00 0.00 O ATOM 985 CB LEU A 154 62.006 -0.650 11.325 1.00 0.00 C ATOM 986 CG LEU A 154 60.672 -1.128 11.900 1.00 0.00 C ATOM 987 CD1 LEU A 154 60.926 -1.946 13.167 1.00 0.00 C ATOM 988 CD2 LEU A 154 59.802 0.084 12.243 1.00 0.00 C ATOM 0 H LEU A 154 62.242 -1.586 9.034 1.00 0.00 H new ATOM 0 HA LEU A 154 60.747 0.601 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 154 62.640 -1.505 11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.539 -0.052 12.064 1.00 0.00 H new ATOM 0 HG LEU A 154 60.160 -1.748 11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 154 59.975 -2.287 13.577 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.547 -2.809 12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.437 -1.326 13.904 1.00 0.00 H new ATOM 0 HD21 LEU A 154 58.851 -0.255 12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.314 0.703 12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.621 0.669 11.341 1.00 0.00 H new ATOM 1000 N GLU A 155 63.973 0.973 9.520 1.00 0.00 N ATOM 1001 CA GLU A 155 65.041 1.963 9.401 1.00 0.00 C ATOM 1002 C GLU A 155 64.597 3.121 8.513 1.00 0.00 C ATOM 1003 O GLU A 155 64.412 4.245 8.979 1.00 0.00 O ATOM 1004 CB GLU A 155 66.296 1.326 8.800 1.00 0.00 C ATOM 1005 CG GLU A 155 67.502 1.637 9.689 1.00 0.00 C ATOM 1006 CD GLU A 155 68.229 0.341 10.032 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.698 -0.314 9.115 1.00 0.00 O ATOM 1008 OE2 GLU A 155 68.307 0.022 11.207 1.00 0.00 O ATOM 0 H GLU A 155 64.228 0.034 9.215 1.00 0.00 H new ATOM 0 HA GLU A 155 65.267 2.337 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.163 0.248 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.465 1.709 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.178 2.321 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.176 2.136 10.602 1.00 0.00 H new ATOM 1015 N PHE A 156 64.427 2.832 7.226 1.00 0.00 N ATOM 1016 CA PHE A 156 64.002 3.854 6.274 1.00 0.00 C ATOM 1017 C PHE A 156 62.664 4.447 6.701 1.00 0.00 C ATOM 1018 O PHE A 156 62.517 5.663 6.822 1.00 0.00 O ATOM 1019 CB PHE A 156 63.858 3.254 4.875 1.00 0.00 C ATOM 1020 CG PHE A 156 64.280 4.273 3.845 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.568 5.471 3.712 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.385 4.020 3.023 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.960 6.416 2.756 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.777 4.965 2.067 1.00 0.00 C ATOM 1025 CZ PHE A 156 65.065 6.163 1.934 1.00 0.00 C ATOM 0 H PHE A 156 64.575 1.908 6.821 1.00 0.00 H new ATOM 0 HA PHE A 156 64.760 4.637 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.471 2.357 4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.825 2.952 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.716 5.666 4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.935 3.096 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 156 63.410 7.340 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.629 4.770 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.368 6.892 1.197 1.00 0.00 H new ATOM 1035 N MET A 157 61.691 3.570 6.930 1.00 0.00 N ATOM 1036 CA MET A 157 60.365 4.010 7.349 1.00 0.00 C ATOM 1037 C MET A 157 60.194 3.808 8.851 1.00 0.00 C ATOM 1038 O MET A 157 59.472 2.916 9.296 1.00 0.00 O ATOM 1039 CB MET A 157 59.281 3.223 6.611 1.00 0.00 C ATOM 1040 CG MET A 157 58.104 4.147 6.296 1.00 0.00 C ATOM 1041 SD MET A 157 57.838 4.196 4.506 1.00 0.00 S ATOM 1042 CE MET A 157 59.374 5.049 4.072 1.00 0.00 C ATOM 0 H MET A 157 61.794 2.560 6.834 1.00 0.00 H new ATOM 0 HA MET A 157 60.267 5.069 7.109 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.685 2.804 5.689 1.00 0.00 H new ATOM 0 HB3 MET A 157 58.946 2.385 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.204 3.792 6.799 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.304 5.150 6.672 1.00 0.00 H new ATOM 0 HE1 MET A 157 59.166 5.814 3.324 1.00 0.00 H new ATOM 0 HE2 MET A 157 59.794 5.517 4.962 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.088 4.331 3.668 1.00 0.00 H new ATOM 1052 N LYS A 158 60.875 4.648 9.626 1.00 0.00 N ATOM 1053 CA LYS A 158 60.804 4.561 11.083 1.00 0.00 C ATOM 1054 C LYS A 158 59.613 5.354 11.617 1.00 0.00 C ATOM 1055 O LYS A 158 59.559 5.695 12.799 1.00 0.00 O ATOM 1056 CB LYS A 158 62.087 5.109 11.711 1.00 0.00 C ATOM 1057 CG LYS A 158 62.238 4.560 13.130 1.00 0.00 C ATOM 1058 CD LYS A 158 63.671 4.790 13.617 1.00 0.00 C ATOM 1059 CE LYS A 158 64.430 3.462 13.618 1.00 0.00 C ATOM 1060 NZ LYS A 158 64.033 2.664 14.812 1.00 0.00 N ATOM 0 H LYS A 158 61.478 5.391 9.274 1.00 0.00 H new ATOM 0 HA LYS A 158 60.684 3.511 11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.949 4.826 11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.057 6.198 11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.532 5.052 13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.003 3.496 13.146 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.175 5.508 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.661 5.216 14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.212 2.906 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 158 65.504 3.645 13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 64.549 1.761 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 64.262 3.195 15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 63.010 2.478 14.781 1.00 0.00 H new ATOM 1074 N GLY A 159 58.661 5.645 10.736 1.00 0.00 N ATOM 1075 CA GLY A 159 57.476 6.400 11.132 1.00 0.00 C ATOM 1076 C GLY A 159 57.193 7.517 10.136 1.00 0.00 C ATOM 1077 O GLY A 159 57.242 8.699 10.477 1.00 0.00 O ATOM 0 H GLY A 159 58.685 5.373 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.616 5.733 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.622 6.821 12.127 1.00 0.00 H new ATOM 1081 N VAL A 160 56.898 7.130 8.899 1.00 0.00 N ATOM 1082 CA VAL A 160 56.609 8.109 7.856 1.00 0.00 C ATOM 1083 C VAL A 160 55.157 7.995 7.407 1.00 0.00 C ATOM 1084 O VAL A 160 54.777 7.050 6.716 1.00 0.00 O ATOM 1085 CB VAL A 160 57.525 7.895 6.651 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.475 9.128 5.747 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.961 7.678 7.135 1.00 0.00 C ATOM 0 H VAL A 160 56.853 6.157 8.596 1.00 0.00 H new ATOM 0 HA VAL A 160 56.783 9.103 8.269 1.00 0.00 H new ATOM 0 HB VAL A 160 57.192 7.020 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.128 8.976 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.453 9.285 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.808 10.003 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.615 7.525 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.293 8.553 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.999 6.801 7.781 1.00 0.00 H new ATOM 1097 N GLU A 161 54.351 8.973 7.810 1.00 0.00 N ATOM 1098 CA GLU A 161 52.937 8.980 7.448 1.00 0.00 C ATOM 1099 C GLU A 161 52.711 9.830 6.202 1.00 0.00 C ATOM 1100 O GLU A 161 51.861 9.465 5.407 1.00 0.00 O ATOM 1101 CB GLU A 161 52.095 9.542 8.594 1.00 0.00 C ATOM 1102 CG GLU A 161 50.627 9.601 8.169 1.00 0.00 C ATOM 1103 CD GLU A 161 49.767 9.987 9.367 1.00 0.00 C ATOM 1104 OE1 GLU A 161 49.903 11.106 9.833 1.00 0.00 O ATOM 1105 OE2 GLU A 161 48.984 9.158 9.801 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.392 10.832 6.061 1.00 0.00 O ATOM 0 H GLU A 161 54.649 9.764 8.382 1.00 0.00 H new ATOM 0 HA GLU A 161 52.635 7.952 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.203 8.916 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.447 10.538 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.498 10.327 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 161 50.311 8.634 7.778 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.212 -7.141 -1.301 1.00 0.00 CA HETATM 1115 CA CA A 3 65.376 -6.110 2.558 1.00 0.00 CA HETATM 1116 S1 EMD A 1 60.874 0.564 2.522 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.542 1.005 2.086 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.489 0.563 2.737 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.743 1.948 1.173 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.741 2.610 0.494 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.457 2.481 0.464 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.837 1.293 1.231 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.461 0.179 0.252 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.579 3.710 0.029 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.697 4.294 0.949 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.913 5.399 0.573 1.00 0.00 C HETATM 1127 C11 EMD A 1 58.025 5.907 -0.744 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.907 5.320 -1.658 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.685 4.223 -1.272 1.00 0.00 C HETATM 1130 N14 EMD A 1 57.164 7.099 -1.141 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.521 7.933 -0.039 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.854 7.550 1.388 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.948 6.021 1.595 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.933 7.466 -2.463 1.00 0.00 C HETATM 1135 O18 EMD A 1 57.422 6.835 -3.399 1.00 0.00 O HETATM 1136 C19 EMD A 1 56.062 8.674 -2.813 1.00 0.00 C HETATM 1137 C20 EMD A 1 56.667 9.840 -3.304 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.942 11.041 -3.355 1.00 0.00 C HETATM 1139 O21 EMD A 1 56.592 12.176 -3.852 1.00 0.00 O HETATM 1140 C22 EMD A 1 54.629 11.078 -2.923 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.868 12.251 -2.953 1.00 0.00 O HETATM 1142 C23 EMD A 1 54.017 9.917 -2.431 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.732 8.716 -2.376 1.00 0.00 C HETATM 1144 C25 EMD A 1 57.651 12.149 -4.842 1.00 0.00 C HETATM 1145 C26 EMD A 1 52.787 12.546 -2.033 1.00 0.00 C HETATM 0 H263 EMD A 1 52.016 11.781 -2.121 1.00 0.00 H new HETATM 0 H262 EMD A 1 53.171 12.559 -1.013 1.00 0.00 H new HETATM 0 H261 EMD A 1 52.361 13.520 -2.273 1.00 0.00 H new HETATM 0 H253 EMD A 1 58.490 11.567 -4.461 1.00 0.00 H new HETATM 0 H252 EMD A 1 57.280 11.692 -5.759 1.00 0.00 H new HETATM 0 H251 EMD A 1 57.980 13.167 -5.051 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.960 5.572 1.491 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.291 5.805 2.607 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.802 8.009 1.670 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.093 7.956 2.055 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.810 8.974 -0.188 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.439 7.882 -0.161 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.619 3.890 1.958 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.366 -0.244 -0.183 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.914 -0.601 0.781 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.834 0.587 -0.541 1.00 0.00 H new HETATM 0 H6 EMD A 1 58.971 1.723 1.734 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.707 2.201 0.958 1.00 0.00 H new HETATM 0 H24 EMD A 1 54.255 7.814 -1.993 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.982 9.950 -2.091 1.00 0.00 H new HETATM 0 H20 EMD A 1 57.701 9.814 -3.646 1.00 0.00 H new HETATM 0 H13 EMD A 1 60.374 3.767 -1.983 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.988 5.717 -2.670 1.00 0.00 H new