USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 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 -76:sc= 0.00394 USER MOD Single : A 98 SER OG : rot 96:sc= 1.35 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.13! C(o=-5.1!,f=-18!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -114:sc= -0.517 (180deg=-1.42!) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.916 F(o=-1.6,f=-0.92) USER MOD Single : A 124 THR OG1 : rot -54:sc= 0.796 USER MOD Single : A 127 THR OG1 : rot -75:sc= 0.955 USER MOD Single : A 129 THR OG1 : rot -145:sc= 0.153 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 144 ASN :FLIP amide:sc= 0.729 F(o=-0.57,f=0.73) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -133:sc= -4.16! (180deg=-8.85!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 54.121 10.996 18.072 1.00 0.00 N ATOM 2 CA GLY A 91 53.942 10.920 16.625 1.00 0.00 C ATOM 3 C GLY A 91 53.381 9.562 16.222 1.00 0.00 C ATOM 4 O GLY A 91 52.205 9.435 15.881 1.00 0.00 O ATOM 0 HA2 GLY A 91 53.267 11.710 16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 91 54.897 11.087 16.126 1.00 0.00 H new ATOM 8 N LYS A 92 54.237 8.546 16.267 1.00 0.00 N ATOM 9 CA LYS A 92 53.823 7.193 15.906 1.00 0.00 C ATOM 10 C LYS A 92 54.356 6.188 16.921 1.00 0.00 C ATOM 11 O LYS A 92 53.601 5.410 17.503 1.00 0.00 O ATOM 12 CB LYS A 92 54.349 6.825 14.517 1.00 0.00 C ATOM 13 CG LYS A 92 53.269 7.099 13.469 1.00 0.00 C ATOM 14 CD LYS A 92 53.698 8.277 12.591 1.00 0.00 C ATOM 15 CE LYS A 92 52.458 8.998 12.060 1.00 0.00 C ATOM 16 NZ LYS A 92 52.846 10.344 11.552 1.00 0.00 N ATOM 0 H LYS A 92 55.214 8.631 16.547 1.00 0.00 H new ATOM 0 HA LYS A 92 52.733 7.163 15.900 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.244 7.404 14.291 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.635 5.774 14.492 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.110 6.213 12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 92 52.321 7.322 13.958 1.00 0.00 H new ATOM 0 HD2 LYS A 92 54.314 8.968 13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 92 54.308 7.922 11.761 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.999 8.415 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.715 9.096 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.003 10.835 11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 53.265 10.899 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.541 10.239 10.785 1.00 0.00 H new ATOM 30 N SER A 93 55.670 6.215 17.124 1.00 0.00 N ATOM 31 CA SER A 93 56.303 5.302 18.071 1.00 0.00 C ATOM 32 C SER A 93 56.558 3.949 17.415 1.00 0.00 C ATOM 33 O SER A 93 55.905 3.583 16.438 1.00 0.00 O ATOM 34 CB SER A 93 55.415 5.108 19.303 1.00 0.00 C ATOM 35 OG SER A 93 54.743 3.858 19.211 1.00 0.00 O ATOM 0 H SER A 93 56.312 6.852 16.651 1.00 0.00 H new ATOM 0 HA SER A 93 57.253 5.738 18.379 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.020 5.142 20.209 1.00 0.00 H new ATOM 0 HB3 SER A 93 54.690 5.919 19.373 1.00 0.00 H new ATOM 0 HG SER A 93 54.005 3.930 18.570 1.00 0.00 H new ATOM 41 N GLU A 94 57.517 3.211 17.965 1.00 0.00 N ATOM 42 CA GLU A 94 57.857 1.897 17.428 1.00 0.00 C ATOM 43 C GLU A 94 56.596 1.062 17.228 1.00 0.00 C ATOM 44 O GLU A 94 56.528 0.219 16.333 1.00 0.00 O ATOM 45 CB GLU A 94 58.798 1.156 18.380 1.00 0.00 C ATOM 46 CG GLU A 94 60.245 1.538 18.067 1.00 0.00 C ATOM 47 CD GLU A 94 60.780 2.447 19.168 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.979 3.125 19.790 1.00 0.00 O ATOM 49 OE2 GLU A 94 61.982 2.452 19.373 1.00 0.00 O ATOM 0 H GLU A 94 58.068 3.496 18.775 1.00 0.00 H new ATOM 0 HA GLU A 94 58.353 2.044 16.469 1.00 0.00 H new ATOM 0 HB2 GLU A 94 58.560 1.408 19.413 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.664 0.079 18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.860 0.642 17.990 1.00 0.00 H new ATOM 0 HG3 GLU A 94 60.298 2.045 17.104 1.00 0.00 H new ATOM 56 N GLU A 95 55.599 1.306 18.073 1.00 0.00 N ATOM 57 CA GLU A 95 54.340 0.572 17.985 1.00 0.00 C ATOM 58 C GLU A 95 53.661 0.838 16.645 1.00 0.00 C ATOM 59 O GLU A 95 53.290 -0.089 15.925 1.00 0.00 O ATOM 60 CB GLU A 95 53.397 0.987 19.116 1.00 0.00 C ATOM 61 CG GLU A 95 53.353 -0.118 20.174 1.00 0.00 C ATOM 62 CD GLU A 95 51.912 -0.576 20.374 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.058 0.278 20.543 1.00 0.00 O ATOM 64 OE2 GLU A 95 51.685 -1.775 20.358 1.00 0.00 O ATOM 0 H GLU A 95 55.636 1.999 18.820 1.00 0.00 H new ATOM 0 HA GLU A 95 54.563 -0.491 18.073 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.737 1.921 19.564 1.00 0.00 H new ATOM 0 HB3 GLU A 95 52.397 1.168 18.722 1.00 0.00 H new ATOM 0 HG2 GLU A 95 53.973 -0.959 19.863 1.00 0.00 H new ATOM 0 HG3 GLU A 95 53.763 0.249 21.115 1.00 0.00 H new ATOM 71 N GLU A 96 53.504 2.118 16.320 1.00 0.00 N ATOM 72 CA GLU A 96 52.868 2.502 15.063 1.00 0.00 C ATOM 73 C GLU A 96 53.592 1.860 13.884 1.00 0.00 C ATOM 74 O GLU A 96 52.970 1.263 13.005 1.00 0.00 O ATOM 75 CB GLU A 96 52.893 4.022 14.894 1.00 0.00 C ATOM 76 CG GLU A 96 51.533 4.602 15.286 1.00 0.00 C ATOM 77 CD GLU A 96 50.514 4.292 14.194 1.00 0.00 C ATOM 78 OE1 GLU A 96 50.802 3.442 13.368 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.462 4.909 14.200 1.00 0.00 O ATOM 0 H GLU A 96 53.805 2.900 16.902 1.00 0.00 H new ATOM 0 HA GLU A 96 51.835 2.156 15.088 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.677 4.455 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.126 4.280 13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.205 4.178 16.235 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.613 5.680 15.429 1.00 0.00 H new ATOM 86 N LEU A 97 54.915 1.993 13.876 1.00 0.00 N ATOM 87 CA LEU A 97 55.723 1.425 12.801 1.00 0.00 C ATOM 88 C LEU A 97 55.191 0.052 12.401 1.00 0.00 C ATOM 89 O LEU A 97 55.137 -0.289 11.219 1.00 0.00 O ATOM 90 CB LEU A 97 57.181 1.285 13.244 1.00 0.00 C ATOM 91 CG LEU A 97 58.064 2.207 12.403 1.00 0.00 C ATOM 92 CD1 LEU A 97 59.473 2.248 12.998 1.00 0.00 C ATOM 93 CD2 LEU A 97 58.132 1.677 10.968 1.00 0.00 C ATOM 0 H LEU A 97 55.447 2.484 14.594 1.00 0.00 H new ATOM 0 HA LEU A 97 55.666 2.099 11.946 1.00 0.00 H new ATOM 0 HB2 LEU A 97 57.276 1.537 14.300 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.508 0.251 13.133 1.00 0.00 H new ATOM 0 HG LEU A 97 57.642 3.212 12.401 1.00 0.00 H new ATOM 0 HD11 LEU A 97 60.102 2.905 12.398 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.426 2.624 14.020 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.896 1.244 13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.761 2.333 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 97 58.554 0.672 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 97 57.129 1.648 10.543 1.00 0.00 H new ATOM 105 N SER A 98 54.799 -0.733 13.401 1.00 0.00 N ATOM 106 CA SER A 98 54.271 -2.070 13.142 1.00 0.00 C ATOM 107 C SER A 98 53.178 -2.009 12.080 1.00 0.00 C ATOM 108 O SER A 98 53.051 -2.905 11.245 1.00 0.00 O ATOM 109 CB SER A 98 53.691 -2.675 14.421 1.00 0.00 C ATOM 110 OG SER A 98 54.523 -2.333 15.522 1.00 0.00 O ATOM 0 H SER A 98 54.836 -0.471 14.386 1.00 0.00 H new ATOM 0 HA SER A 98 55.091 -2.695 12.788 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.679 -2.304 14.586 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.622 -3.759 14.326 1.00 0.00 H new ATOM 0 HG SER A 98 54.162 -1.540 15.971 1.00 0.00 H new ATOM 116 N ASP A 99 52.391 -0.938 12.123 1.00 0.00 N ATOM 117 CA ASP A 99 51.309 -0.761 11.158 1.00 0.00 C ATOM 118 C ASP A 99 51.873 -0.386 9.792 1.00 0.00 C ATOM 119 O ASP A 99 51.484 -0.949 8.769 1.00 0.00 O ATOM 120 CB ASP A 99 50.352 0.339 11.622 1.00 0.00 C ATOM 121 CG ASP A 99 49.783 -0.024 12.989 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.840 -0.797 13.030 1.00 0.00 O ATOM 123 OD2 ASP A 99 50.299 0.476 13.975 1.00 0.00 O ATOM 0 H ASP A 99 52.480 -0.187 12.807 1.00 0.00 H new ATOM 0 HA ASP A 99 50.767 -1.704 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.877 1.293 11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.544 0.461 10.901 1.00 0.00 H new ATOM 128 N LEU A 100 52.794 0.575 9.786 1.00 0.00 N ATOM 129 CA LEU A 100 53.408 1.020 8.538 1.00 0.00 C ATOM 130 C LEU A 100 53.747 -0.179 7.657 1.00 0.00 C ATOM 131 O LEU A 100 53.338 -0.250 6.499 1.00 0.00 O ATOM 132 CB LEU A 100 54.688 1.812 8.820 1.00 0.00 C ATOM 133 CG LEU A 100 54.427 3.302 8.593 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.376 4.125 9.466 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.666 3.642 7.120 1.00 0.00 C ATOM 0 H LEU A 100 53.128 1.056 10.621 1.00 0.00 H new ATOM 0 HA LEU A 100 52.694 1.662 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 100 55.015 1.641 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.491 1.469 8.168 1.00 0.00 H new ATOM 0 HG LEU A 100 53.396 3.535 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.190 5.187 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 100 55.207 3.883 10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.408 3.893 9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.480 4.704 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.697 3.409 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 100 53.991 3.056 6.497 1.00 0.00 H new ATOM 147 N PHE A 101 54.497 -1.123 8.221 1.00 0.00 N ATOM 148 CA PHE A 101 54.880 -2.318 7.474 1.00 0.00 C ATOM 149 C PHE A 101 53.660 -2.923 6.789 1.00 0.00 C ATOM 150 O PHE A 101 53.685 -3.223 5.595 1.00 0.00 O ATOM 151 CB PHE A 101 55.501 -3.361 8.404 1.00 0.00 C ATOM 152 CG PHE A 101 56.417 -4.260 7.608 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.877 -5.237 6.763 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.806 -4.117 7.713 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.725 -6.071 6.024 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.654 -4.950 6.974 1.00 0.00 C ATOM 157 CZ PHE A 101 58.113 -5.927 6.129 1.00 0.00 C ATOM 0 H PHE A 101 54.847 -1.086 9.178 1.00 0.00 H new ATOM 0 HA PHE A 101 55.615 -2.026 6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.059 -2.868 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.718 -3.951 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.806 -5.347 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.223 -3.364 8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.308 -6.825 5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.725 -4.839 7.055 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.767 -6.569 5.558 1.00 0.00 H new ATOM 167 N ARG A 102 52.587 -3.090 7.557 1.00 0.00 N ATOM 168 CA ARG A 102 51.356 -3.649 7.009 1.00 0.00 C ATOM 169 C ARG A 102 50.695 -2.629 6.093 1.00 0.00 C ATOM 170 O ARG A 102 50.079 -2.977 5.086 1.00 0.00 O ATOM 171 CB ARG A 102 50.383 -4.022 8.130 1.00 0.00 C ATOM 172 CG ARG A 102 49.133 -4.663 7.526 1.00 0.00 C ATOM 173 CD ARG A 102 49.274 -6.186 7.556 1.00 0.00 C ATOM 174 NE ARG A 102 48.875 -6.715 8.859 1.00 0.00 N ATOM 175 CZ ARG A 102 48.537 -7.994 9.005 1.00 0.00 C ATOM 176 NH1 ARG A 102 48.564 -8.799 7.978 1.00 0.00 N ATOM 177 NH2 ARG A 102 48.180 -8.445 10.177 1.00 0.00 N ATOM 0 H ARG A 102 52.544 -2.850 8.547 1.00 0.00 H new ATOM 0 HA ARG A 102 51.607 -4.548 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.860 -4.713 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.110 -3.134 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.249 -4.358 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 102 48.995 -4.320 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.658 -6.629 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 102 50.306 -6.465 7.345 1.00 0.00 H new ATOM 0 HE ARG A 102 48.855 -6.095 9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 102 48.844 -8.448 7.062 1.00 0.00 H new ATOM 0 HH12 ARG A 102 48.305 -9.779 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 102 48.160 -7.817 10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 102 47.921 -9.425 10.289 1.00 0.00 H new ATOM 191 N MET A 103 50.846 -1.358 6.453 1.00 0.00 N ATOM 192 CA MET A 103 50.278 -0.276 5.657 1.00 0.00 C ATOM 193 C MET A 103 50.928 -0.254 4.279 1.00 0.00 C ATOM 194 O MET A 103 50.373 0.277 3.317 1.00 0.00 O ATOM 195 CB MET A 103 50.518 1.068 6.343 1.00 0.00 C ATOM 196 CG MET A 103 49.329 1.993 6.084 1.00 0.00 C ATOM 197 SD MET A 103 49.818 3.297 4.928 1.00 0.00 S ATOM 198 CE MET A 103 48.658 4.560 5.506 1.00 0.00 C ATOM 0 H MET A 103 51.353 -1.054 7.284 1.00 0.00 H new ATOM 0 HA MET A 103 49.206 -0.444 5.557 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.652 0.922 7.415 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.434 1.522 5.966 1.00 0.00 H new ATOM 0 HG2 MET A 103 48.494 1.424 5.675 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.986 2.433 7.021 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.788 5.469 4.919 1.00 0.00 H new ATOM 0 HE2 MET A 103 47.637 4.196 5.390 1.00 0.00 H new ATOM 0 HE3 MET A 103 48.849 4.776 6.557 1.00 0.00 H new ATOM 208 N PHE A 104 52.116 -0.843 4.204 1.00 0.00 N ATOM 209 CA PHE A 104 52.858 -0.901 2.948 1.00 0.00 C ATOM 210 C PHE A 104 52.539 -2.193 2.202 1.00 0.00 C ATOM 211 O PHE A 104 52.081 -2.172 1.060 1.00 0.00 O ATOM 212 CB PHE A 104 54.364 -0.845 3.214 1.00 0.00 C ATOM 213 CG PHE A 104 55.035 -0.014 2.148 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.962 -0.407 0.806 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.732 1.147 2.501 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.586 0.363 -0.183 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.356 1.916 1.512 1.00 0.00 C ATOM 218 CZ PHE A 104 56.283 1.524 0.170 1.00 0.00 C ATOM 0 H PHE A 104 52.585 -1.286 4.994 1.00 0.00 H new ATOM 0 HA PHE A 104 52.562 -0.045 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.554 -0.416 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.780 -1.852 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.425 -1.304 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.788 1.450 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.529 0.061 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.894 2.812 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.765 2.118 -0.593 1.00 0.00 H new ATOM 228 N ASP A 105 52.790 -3.318 2.865 1.00 0.00 N ATOM 229 CA ASP A 105 52.531 -4.622 2.262 1.00 0.00 C ATOM 230 C ASP A 105 51.149 -4.649 1.620 1.00 0.00 C ATOM 231 O ASP A 105 50.131 -4.481 2.292 1.00 0.00 O ATOM 232 CB ASP A 105 52.609 -5.726 3.319 1.00 0.00 C ATOM 233 CG ASP A 105 53.518 -6.849 2.827 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.190 -6.649 1.829 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.529 -7.893 3.458 1.00 0.00 O ATOM 0 H ASP A 105 53.169 -3.354 3.811 1.00 0.00 H new ATOM 0 HA ASP A 105 53.290 -4.794 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 105 52.992 -5.320 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.612 -6.116 3.525 1.00 0.00 H new ATOM 240 N LYS A 106 51.127 -4.867 0.309 1.00 0.00 N ATOM 241 CA LYS A 106 49.865 -4.921 -0.422 1.00 0.00 C ATOM 242 C LYS A 106 49.422 -6.371 -0.618 1.00 0.00 C ATOM 243 O LYS A 106 48.428 -6.644 -1.290 1.00 0.00 O ATOM 244 CB LYS A 106 50.013 -4.252 -1.791 1.00 0.00 C ATOM 245 CG LYS A 106 50.349 -2.771 -1.601 1.00 0.00 C ATOM 246 CD LYS A 106 49.201 -1.912 -2.136 1.00 0.00 C ATOM 247 CE LYS A 106 47.873 -2.414 -1.566 1.00 0.00 C ATOM 248 NZ LYS A 106 47.191 -1.302 -0.844 1.00 0.00 N ATOM 0 H LYS A 106 51.959 -5.008 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 106 49.113 -4.390 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 106 50.799 -4.743 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.089 -4.356 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.515 -2.558 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 106 51.274 -2.527 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 106 49.355 -0.869 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 106 49.180 -1.954 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 106 47.237 -2.784 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.048 -3.249 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 46.288 -1.642 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.798 -0.968 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 47.011 -0.519 -1.504 1.00 0.00 H new ATOM 262 N ASN A 107 50.172 -7.297 -0.021 1.00 0.00 N ATOM 263 CA ASN A 107 49.848 -8.718 -0.135 1.00 0.00 C ATOM 264 C ASN A 107 49.714 -9.352 1.249 1.00 0.00 C ATOM 265 O ASN A 107 48.913 -10.265 1.453 1.00 0.00 O ATOM 266 CB ASN A 107 50.938 -9.455 -0.919 1.00 0.00 C ATOM 267 CG ASN A 107 52.184 -9.605 -0.051 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.137 -10.219 1.014 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.309 -9.076 -0.448 1.00 0.00 N ATOM 0 H ASN A 107 50.999 -7.092 0.540 1.00 0.00 H new ATOM 0 HA ASN A 107 48.899 -8.803 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 107 50.577 -10.436 -1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.181 -8.905 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 107 54.148 -9.172 0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.350 -8.567 -1.331 1.00 0.00 H new ATOM 276 N ALA A 108 50.512 -8.857 2.195 1.00 0.00 N ATOM 277 CA ALA A 108 50.485 -9.378 3.561 1.00 0.00 C ATOM 278 C ALA A 108 51.392 -10.597 3.685 1.00 0.00 C ATOM 279 O ALA A 108 50.926 -11.720 3.878 1.00 0.00 O ATOM 280 CB ALA A 108 49.064 -9.772 3.965 1.00 0.00 C ATOM 0 H ALA A 108 51.180 -8.102 2.042 1.00 0.00 H new ATOM 0 HA ALA A 108 50.841 -8.589 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.069 -10.157 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.415 -8.898 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.694 -10.542 3.289 1.00 0.00 H new ATOM 286 N ASP A 109 52.694 -10.359 3.573 1.00 0.00 N ATOM 287 CA ASP A 109 53.669 -11.442 3.674 1.00 0.00 C ATOM 288 C ASP A 109 54.729 -11.108 4.720 1.00 0.00 C ATOM 289 O ASP A 109 55.214 -11.985 5.436 1.00 0.00 O ATOM 290 CB ASP A 109 54.354 -11.673 2.325 1.00 0.00 C ATOM 291 CG ASP A 109 55.150 -10.432 1.938 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.560 -9.366 1.885 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.339 -10.567 1.700 1.00 0.00 O ATOM 0 H ASP A 109 53.097 -9.436 3.414 1.00 0.00 H new ATOM 0 HA ASP A 109 53.138 -12.347 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.015 -12.538 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.609 -11.893 1.560 1.00 0.00 H new ATOM 298 N GLY A 110 55.082 -9.828 4.802 1.00 0.00 N ATOM 299 CA GLY A 110 56.085 -9.383 5.766 1.00 0.00 C ATOM 300 C GLY A 110 57.362 -8.938 5.059 1.00 0.00 C ATOM 301 O GLY A 110 58.390 -8.707 5.695 1.00 0.00 O ATOM 0 H GLY A 110 54.693 -9.087 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.686 -8.559 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.312 -10.192 6.460 1.00 0.00 H new ATOM 305 N TYR A 111 57.286 -8.820 3.736 1.00 0.00 N ATOM 306 CA TYR A 111 58.446 -8.402 2.953 1.00 0.00 C ATOM 307 C TYR A 111 58.006 -7.652 1.699 1.00 0.00 C ATOM 308 O TYR A 111 57.650 -8.259 0.688 1.00 0.00 O ATOM 309 CB TYR A 111 59.279 -9.615 2.536 1.00 0.00 C ATOM 310 CG TYR A 111 59.840 -10.289 3.764 1.00 0.00 C ATOM 311 CD1 TYR A 111 61.013 -9.802 4.354 1.00 0.00 C ATOM 312 CD2 TYR A 111 59.190 -11.400 4.312 1.00 0.00 C ATOM 313 CE1 TYR A 111 61.535 -10.428 5.493 1.00 0.00 C ATOM 314 CE2 TYR A 111 59.712 -12.025 5.451 1.00 0.00 C ATOM 315 CZ TYR A 111 60.884 -11.539 6.041 1.00 0.00 C ATOM 316 OH TYR A 111 61.398 -12.156 7.164 1.00 0.00 O ATOM 0 H TYR A 111 56.445 -9.005 3.189 1.00 0.00 H new ATOM 0 HA TYR A 111 59.049 -7.743 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.663 -10.316 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.090 -9.303 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 111 61.515 -8.944 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 111 58.286 -11.776 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 111 62.440 -10.053 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 111 59.210 -12.882 5.874 1.00 0.00 H new ATOM 0 HH TYR A 111 60.824 -12.910 7.414 1.00 0.00 H new ATOM 326 N ILE A 112 58.042 -6.326 1.774 1.00 0.00 N ATOM 327 CA ILE A 112 57.653 -5.498 0.636 1.00 0.00 C ATOM 328 C ILE A 112 58.606 -5.739 -0.533 1.00 0.00 C ATOM 329 O ILE A 112 59.793 -6.002 -0.338 1.00 0.00 O ATOM 330 CB ILE A 112 57.686 -4.017 1.023 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.510 -3.708 1.953 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.581 -3.150 -0.233 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.043 -3.297 3.326 1.00 0.00 C ATOM 0 H ILE A 112 58.333 -5.805 2.601 1.00 0.00 H new ATOM 0 HA ILE A 112 56.639 -5.767 0.339 1.00 0.00 H new ATOM 0 HB ILE A 112 58.625 -3.800 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.900 -2.908 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.867 -4.583 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.605 -2.097 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.418 -3.367 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.645 -3.367 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.207 -3.077 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.634 -4.111 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.668 -2.410 3.223 1.00 0.00 H new ATOM 345 N ASP A 113 58.076 -5.653 -1.750 1.00 0.00 N ATOM 346 CA ASP A 113 58.895 -5.871 -2.941 1.00 0.00 C ATOM 347 C ASP A 113 58.858 -4.648 -3.853 1.00 0.00 C ATOM 348 O ASP A 113 58.290 -3.613 -3.508 1.00 0.00 O ATOM 349 CB ASP A 113 58.397 -7.090 -3.720 1.00 0.00 C ATOM 350 CG ASP A 113 56.882 -7.019 -3.865 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.383 -5.945 -4.155 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.241 -8.042 -3.683 1.00 0.00 O ATOM 0 H ASP A 113 57.097 -5.437 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 113 59.920 -6.044 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.866 -7.122 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.680 -8.006 -3.202 1.00 0.00 H new ATOM 357 N LEU A 114 59.476 -4.783 -5.024 1.00 0.00 N ATOM 358 CA LEU A 114 59.516 -3.686 -5.987 1.00 0.00 C ATOM 359 C LEU A 114 58.138 -3.467 -6.605 1.00 0.00 C ATOM 360 O LEU A 114 57.698 -2.332 -6.789 1.00 0.00 O ATOM 361 CB LEU A 114 60.520 -3.990 -7.101 1.00 0.00 C ATOM 362 CG LEU A 114 60.464 -2.888 -8.160 1.00 0.00 C ATOM 363 CD1 LEU A 114 60.966 -1.575 -7.560 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.351 -3.275 -9.344 1.00 0.00 C ATOM 0 H LEU A 114 59.952 -5.633 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 114 59.823 -2.784 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.526 -4.060 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.294 -4.955 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 114 59.435 -2.763 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 114 60.926 -0.791 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 114 60.337 -1.297 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 114 61.994 -1.700 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.312 -2.490 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.379 -3.400 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.995 -4.211 -9.774 1.00 0.00 H new ATOM 376 N GLU A 115 57.462 -4.567 -6.922 1.00 0.00 N ATOM 377 CA GLU A 115 56.132 -4.486 -7.518 1.00 0.00 C ATOM 378 C GLU A 115 55.205 -3.649 -6.644 1.00 0.00 C ATOM 379 O GLU A 115 54.636 -2.653 -7.091 1.00 0.00 O ATOM 380 CB GLU A 115 55.531 -5.884 -7.680 1.00 0.00 C ATOM 381 CG GLU A 115 56.179 -6.586 -8.874 1.00 0.00 C ATOM 382 CD GLU A 115 56.277 -8.081 -8.592 1.00 0.00 C ATOM 383 OE1 GLU A 115 57.035 -8.449 -7.710 1.00 0.00 O ATOM 384 OE2 GLU A 115 55.591 -8.836 -9.261 1.00 0.00 O ATOM 0 H GLU A 115 57.808 -5.516 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 115 56.232 -4.017 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.690 -6.467 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.453 -5.813 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.590 -6.413 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.171 -6.174 -9.057 1.00 0.00 H new ATOM 391 N GLU A 116 55.057 -4.068 -5.390 1.00 0.00 N ATOM 392 CA GLU A 116 54.193 -3.354 -4.454 1.00 0.00 C ATOM 393 C GLU A 116 54.595 -1.885 -4.366 1.00 0.00 C ATOM 394 O GLU A 116 53.755 -1.009 -4.157 1.00 0.00 O ATOM 395 CB GLU A 116 54.279 -3.980 -3.061 1.00 0.00 C ATOM 396 CG GLU A 116 53.600 -5.351 -3.076 1.00 0.00 C ATOM 397 CD GLU A 116 54.070 -6.163 -1.874 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.288 -5.568 -0.832 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.204 -7.367 -2.013 1.00 0.00 O ATOM 0 H GLU A 116 55.519 -4.890 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 116 53.169 -3.427 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.322 -4.082 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.798 -3.332 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.517 -5.233 -3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.839 -5.877 -4.000 1.00 0.00 H new ATOM 406 N LEU A 117 55.889 -1.625 -4.529 1.00 0.00 N ATOM 407 CA LEU A 117 56.390 -0.255 -4.467 1.00 0.00 C ATOM 408 C LEU A 117 55.738 0.595 -5.551 1.00 0.00 C ATOM 409 O LEU A 117 55.585 1.808 -5.403 1.00 0.00 O ATOM 410 CB LEU A 117 57.908 -0.228 -4.653 1.00 0.00 C ATOM 411 CG LEU A 117 58.561 0.388 -3.414 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.658 -0.545 -2.897 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.173 1.741 -3.780 1.00 0.00 C ATOM 0 H LEU A 117 56.602 -2.334 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 117 56.142 0.152 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.284 -1.239 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.167 0.351 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 117 57.808 0.527 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.123 -0.106 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.222 -1.509 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.411 -0.685 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.638 2.180 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.926 1.602 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.392 2.406 -4.147 1.00 0.00 H new ATOM 425 N LYS A 118 55.345 -0.058 -6.641 1.00 0.00 N ATOM 426 CA LYS A 118 54.697 0.644 -7.745 1.00 0.00 C ATOM 427 C LYS A 118 53.247 0.946 -7.385 1.00 0.00 C ATOM 428 O LYS A 118 52.774 2.073 -7.532 1.00 0.00 O ATOM 429 CB LYS A 118 54.718 -0.204 -9.021 1.00 0.00 C ATOM 430 CG LYS A 118 56.069 -0.912 -9.159 1.00 0.00 C ATOM 431 CD LYS A 118 57.187 0.127 -9.259 1.00 0.00 C ATOM 432 CE LYS A 118 57.616 0.276 -10.721 1.00 0.00 C ATOM 433 NZ LYS A 118 58.624 -0.770 -11.052 1.00 0.00 N ATOM 0 H LYS A 118 55.462 -1.061 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 118 55.244 1.570 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 118 53.914 -0.940 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.539 0.429 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.239 -1.562 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 118 56.069 -1.547 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.843 1.086 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 118 58.037 -0.178 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 118 56.750 0.182 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.037 1.268 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.539 -0.319 -11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 58.727 -1.420 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 58.310 -1.302 -11.889 1.00 0.00 H new ATOM 447 N ILE A 119 52.549 -0.080 -6.906 1.00 0.00 N ATOM 448 CA ILE A 119 51.150 0.072 -6.520 1.00 0.00 C ATOM 449 C ILE A 119 51.010 1.147 -5.448 1.00 0.00 C ATOM 450 O ILE A 119 50.004 1.853 -5.381 1.00 0.00 O ATOM 451 CB ILE A 119 50.602 -1.249 -5.974 1.00 0.00 C ATOM 452 CG1 ILE A 119 50.801 -2.352 -7.018 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.111 -1.100 -5.670 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.747 -3.720 -6.335 1.00 0.00 C ATOM 0 H ILE A 119 52.926 -1.019 -6.777 1.00 0.00 H new ATOM 0 HA ILE A 119 50.584 0.363 -7.405 1.00 0.00 H new ATOM 0 HB ILE A 119 51.133 -1.511 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.028 -2.286 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.760 -2.223 -7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 119 48.723 -2.042 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 119 48.968 -0.315 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.578 -0.837 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.889 -4.504 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.536 -3.784 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.778 -3.848 -5.853 1.00 0.00 H new ATOM 466 N MET A 120 52.035 1.259 -4.609 1.00 0.00 N ATOM 467 CA MET A 120 52.025 2.249 -3.535 1.00 0.00 C ATOM 468 C MET A 120 52.135 3.660 -4.105 1.00 0.00 C ATOM 469 O MET A 120 51.457 4.582 -3.652 1.00 0.00 O ATOM 470 CB MET A 120 53.193 2.006 -2.578 1.00 0.00 C ATOM 471 CG MET A 120 52.817 2.498 -1.181 1.00 0.00 C ATOM 472 SD MET A 120 53.505 4.151 -0.922 1.00 0.00 S ATOM 473 CE MET A 120 53.069 4.305 0.827 1.00 0.00 C ATOM 0 H MET A 120 52.876 0.683 -4.650 1.00 0.00 H new ATOM 0 HA MET A 120 51.083 2.150 -2.995 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.438 0.944 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.082 2.528 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 120 51.733 2.522 -1.071 1.00 0.00 H new ATOM 0 HG3 MET A 120 53.199 1.811 -0.426 1.00 0.00 H new ATOM 0 HE1 MET A 120 53.406 5.271 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 120 51.988 4.229 0.940 1.00 0.00 H new ATOM 0 HE3 MET A 120 53.550 3.508 1.393 1.00 0.00 H new ATOM 483 N LEU A 121 53.000 3.818 -5.102 1.00 0.00 N ATOM 484 CA LEU A 121 53.194 5.124 -5.728 1.00 0.00 C ATOM 485 C LEU A 121 51.970 5.504 -6.553 1.00 0.00 C ATOM 486 O LEU A 121 51.186 6.369 -6.162 1.00 0.00 O ATOM 487 CB LEU A 121 54.424 5.102 -6.639 1.00 0.00 C ATOM 488 CG LEU A 121 55.685 4.927 -5.790 1.00 0.00 C ATOM 489 CD1 LEU A 121 56.921 5.217 -6.644 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.648 5.900 -4.608 1.00 0.00 C ATOM 0 H LEU A 121 53.572 3.069 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 121 53.342 5.860 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.342 4.288 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.483 6.028 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 121 55.729 3.903 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.819 5.092 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 121 56.952 4.525 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 121 56.874 6.240 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.547 5.774 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 121 55.602 6.923 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.769 5.696 -3.996 1.00 0.00 H new ATOM 502 N GLN A 122 51.812 4.842 -7.697 1.00 0.00 N ATOM 503 CA GLN A 122 50.674 5.113 -8.572 1.00 0.00 C ATOM 504 C GLN A 122 49.424 5.385 -7.744 1.00 0.00 C ATOM 505 O GLN A 122 48.546 6.147 -8.148 1.00 0.00 O ATOM 506 CB GLN A 122 50.410 3.920 -9.493 1.00 0.00 C ATOM 507 CG GLN A 122 51.344 3.989 -10.703 1.00 0.00 C ATOM 508 CD GLN A 122 50.782 4.971 -11.725 1.00 0.00 C ATOM 509 OE1 GLN A 122 49.522 4.896 -12.058 1.00 0.00 O flip ATOM 510 NE2 GLN A 122 51.503 5.828 -12.235 1.00 0.00 N flip ATOM 0 H GLN A 122 52.450 4.122 -8.037 1.00 0.00 H new ATOM 0 HA GLN A 122 50.912 5.990 -9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 122 50.568 2.987 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.371 3.925 -9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 122 52.339 4.304 -10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 122 51.449 3.001 -11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 122 52.488 5.887 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 122 51.116 6.480 -12.918 1.00 0.00 H new ATOM 519 N ALA A 123 49.356 4.750 -6.577 1.00 0.00 N ATOM 520 CA ALA A 123 48.211 4.925 -5.689 1.00 0.00 C ATOM 521 C ALA A 123 48.224 6.318 -5.070 1.00 0.00 C ATOM 522 O ALA A 123 47.211 7.018 -5.060 1.00 0.00 O ATOM 523 CB ALA A 123 48.244 3.886 -4.569 1.00 0.00 C ATOM 0 H ALA A 123 50.073 4.115 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 123 47.304 4.798 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.384 4.029 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.210 2.885 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.162 4.002 -3.992 1.00 0.00 H new ATOM 529 N THR A 124 49.383 6.712 -4.549 1.00 0.00 N ATOM 530 CA THR A 124 49.515 8.026 -3.926 1.00 0.00 C ATOM 531 C THR A 124 48.934 9.107 -4.830 1.00 0.00 C ATOM 532 O THR A 124 47.846 9.626 -4.583 1.00 0.00 O ATOM 533 CB THR A 124 50.986 8.346 -3.651 1.00 0.00 C ATOM 534 OG1 THR A 124 51.728 8.227 -4.856 1.00 0.00 O ATOM 535 CG2 THR A 124 51.536 7.368 -2.612 1.00 0.00 C ATOM 0 H THR A 124 50.234 6.149 -4.545 1.00 0.00 H new ATOM 0 HA THR A 124 48.966 8.005 -2.984 1.00 0.00 H new ATOM 0 HB THR A 124 51.072 9.364 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.570 7.344 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 124 52.584 7.596 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A 124 50.966 7.460 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 124 51.451 6.349 -2.990 1.00 0.00 H new ATOM 543 N GLY A 125 49.676 9.441 -5.881 1.00 0.00 N ATOM 544 CA GLY A 125 49.227 10.467 -6.819 1.00 0.00 C ATOM 545 C GLY A 125 49.682 10.151 -8.241 1.00 0.00 C ATOM 546 O GLY A 125 49.603 10.998 -9.131 1.00 0.00 O ATOM 0 H GLY A 125 50.579 9.023 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 125 48.140 10.540 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 125 49.620 11.438 -6.516 1.00 0.00 H new ATOM 550 N GLU A 126 50.157 8.922 -8.443 1.00 0.00 N ATOM 551 CA GLU A 126 50.625 8.495 -9.763 1.00 0.00 C ATOM 552 C GLU A 126 51.267 9.660 -10.511 1.00 0.00 C ATOM 553 O GLU A 126 51.153 9.773 -11.731 1.00 0.00 O ATOM 554 CB GLU A 126 49.468 7.937 -10.602 1.00 0.00 C ATOM 555 CG GLU A 126 48.136 8.511 -10.109 1.00 0.00 C ATOM 556 CD GLU A 126 46.985 7.701 -10.696 1.00 0.00 C ATOM 557 OE1 GLU A 126 46.762 7.806 -11.891 1.00 0.00 O ATOM 558 OE2 GLU A 126 46.344 6.988 -9.942 1.00 0.00 O ATOM 0 H GLU A 126 50.228 8.209 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 126 51.366 7.711 -9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 126 49.615 8.189 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 126 49.451 6.849 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.096 8.483 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 126 48.047 9.556 -10.404 1.00 0.00 H new ATOM 565 N THR A 127 51.945 10.524 -9.761 1.00 0.00 N ATOM 566 CA THR A 127 52.608 11.682 -10.356 1.00 0.00 C ATOM 567 C THR A 127 54.118 11.575 -10.175 1.00 0.00 C ATOM 568 O THR A 127 54.799 12.567 -9.912 1.00 0.00 O ATOM 569 CB THR A 127 52.118 12.974 -9.700 1.00 0.00 C ATOM 570 OG1 THR A 127 51.396 12.659 -8.518 1.00 0.00 O ATOM 571 CG2 THR A 127 51.209 13.730 -10.670 1.00 0.00 C ATOM 0 H THR A 127 52.050 10.447 -8.749 1.00 0.00 H new ATOM 0 HA THR A 127 52.367 11.702 -11.419 1.00 0.00 H new ATOM 0 HB THR A 127 52.974 13.600 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 127 50.510 12.316 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 127 50.861 14.650 -10.200 1.00 0.00 H new ATOM 0 HG22 THR A 127 51.765 13.972 -11.576 1.00 0.00 H new ATOM 0 HG23 THR A 127 50.352 13.107 -10.926 1.00 0.00 H new ATOM 579 N ILE A 128 54.632 10.357 -10.314 1.00 0.00 N ATOM 580 CA ILE A 128 56.065 10.121 -10.160 1.00 0.00 C ATOM 581 C ILE A 128 56.635 9.455 -11.407 1.00 0.00 C ATOM 582 O ILE A 128 55.907 8.850 -12.195 1.00 0.00 O ATOM 583 CB ILE A 128 56.331 9.217 -8.956 1.00 0.00 C ATOM 584 CG1 ILE A 128 55.842 9.907 -7.681 1.00 0.00 C ATOM 585 CG2 ILE A 128 57.832 8.947 -8.843 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.019 8.962 -6.491 1.00 0.00 C ATOM 0 H ILE A 128 54.084 9.524 -10.531 1.00 0.00 H new ATOM 0 HA ILE A 128 56.548 11.086 -10.008 1.00 0.00 H new ATOM 0 HB ILE A 128 55.800 8.274 -9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 128 56.402 10.827 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 128 54.793 10.186 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.022 8.303 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.183 8.456 -9.751 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.363 9.890 -8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 128 55.671 9.453 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 128 55.439 8.054 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.073 8.705 -6.384 1.00 0.00 H new ATOM 598 N THR A 129 57.950 9.568 -11.574 1.00 0.00 N ATOM 599 CA THR A 129 58.616 8.968 -12.725 1.00 0.00 C ATOM 600 C THR A 129 59.137 7.580 -12.367 1.00 0.00 C ATOM 601 O THR A 129 58.910 7.082 -11.264 1.00 0.00 O ATOM 602 CB THR A 129 59.788 9.840 -13.183 1.00 0.00 C ATOM 603 OG1 THR A 129 60.949 9.502 -12.436 1.00 0.00 O ATOM 604 CG2 THR A 129 59.449 11.314 -12.962 1.00 0.00 C ATOM 0 H THR A 129 58.570 10.064 -10.934 1.00 0.00 H new ATOM 0 HA THR A 129 57.890 8.889 -13.534 1.00 0.00 H new ATOM 0 HB THR A 129 59.974 9.668 -14.243 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.485 10.308 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 129 60.285 11.933 -13.289 1.00 0.00 H new ATOM 0 HG22 THR A 129 58.560 11.573 -13.537 1.00 0.00 H new ATOM 0 HG23 THR A 129 59.260 11.489 -11.903 1.00 0.00 H new ATOM 612 N GLU A 130 59.839 6.960 -13.311 1.00 0.00 N ATOM 613 CA GLU A 130 60.389 5.627 -13.082 1.00 0.00 C ATOM 614 C GLU A 130 61.797 5.726 -12.505 1.00 0.00 C ATOM 615 O GLU A 130 62.583 4.782 -12.581 1.00 0.00 O ATOM 616 CB GLU A 130 60.437 4.835 -14.389 1.00 0.00 C ATOM 617 CG GLU A 130 59.427 3.688 -14.326 1.00 0.00 C ATOM 618 CD GLU A 130 58.016 4.245 -14.474 1.00 0.00 C ATOM 619 OE1 GLU A 130 57.870 5.455 -14.421 1.00 0.00 O ATOM 620 OE2 GLU A 130 57.101 3.454 -14.637 1.00 0.00 O ATOM 0 H GLU A 130 60.039 7.353 -14.231 1.00 0.00 H new ATOM 0 HA GLU A 130 59.741 5.112 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 130 60.210 5.488 -15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 130 61.440 4.442 -14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 130 59.630 2.967 -15.118 1.00 0.00 H new ATOM 0 HG3 GLU A 130 59.522 3.157 -13.379 1.00 0.00 H new ATOM 627 N ASP A 131 62.104 6.883 -11.925 1.00 0.00 N ATOM 628 CA ASP A 131 63.420 7.102 -11.333 1.00 0.00 C ATOM 629 C ASP A 131 63.320 7.178 -9.811 1.00 0.00 C ATOM 630 O ASP A 131 64.322 7.358 -9.118 1.00 0.00 O ATOM 631 CB ASP A 131 64.032 8.402 -11.856 1.00 0.00 C ATOM 632 CG ASP A 131 64.760 8.130 -13.168 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.934 7.806 -13.114 1.00 0.00 O ATOM 634 OD2 ASP A 131 64.131 8.249 -14.207 1.00 0.00 O ATOM 0 H ASP A 131 61.467 7.676 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 131 64.055 6.261 -11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.252 9.148 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.725 8.811 -11.121 1.00 0.00 H new ATOM 639 N ASP A 132 62.100 7.040 -9.298 1.00 0.00 N ATOM 640 CA ASP A 132 61.879 7.095 -7.856 1.00 0.00 C ATOM 641 C ASP A 132 61.591 5.701 -7.306 1.00 0.00 C ATOM 642 O ASP A 132 61.570 5.487 -6.094 1.00 0.00 O ATOM 643 CB ASP A 132 60.698 8.010 -7.531 1.00 0.00 C ATOM 644 CG ASP A 132 61.216 9.343 -7.003 1.00 0.00 C ATOM 645 OD1 ASP A 132 62.282 9.350 -6.410 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.538 10.339 -7.199 1.00 0.00 O ATOM 0 H ASP A 132 61.257 6.891 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 132 62.784 7.489 -7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.093 8.171 -8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.053 7.539 -6.789 1.00 0.00 H new ATOM 651 N ILE A 133 61.364 4.755 -8.213 1.00 0.00 N ATOM 652 CA ILE A 133 61.072 3.383 -7.812 1.00 0.00 C ATOM 653 C ILE A 133 62.365 2.598 -7.607 1.00 0.00 C ATOM 654 O ILE A 133 62.646 2.110 -6.512 1.00 0.00 O ATOM 655 CB ILE A 133 60.221 2.690 -8.880 1.00 0.00 C ATOM 656 CG1 ILE A 133 58.800 3.257 -8.840 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.173 1.184 -8.610 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.529 4.057 -10.115 1.00 0.00 C ATOM 0 H ILE A 133 61.376 4.911 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 133 60.521 3.413 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 133 60.662 2.865 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.077 2.447 -8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 133 58.677 3.896 -7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.566 0.697 -9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.184 0.777 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.735 1.004 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.517 4.459 -10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.243 4.877 -10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.634 3.405 -10.983 1.00 0.00 H new ATOM 670 N GLU A 134 63.144 2.478 -8.677 1.00 0.00 N ATOM 671 CA GLU A 134 64.405 1.745 -8.614 1.00 0.00 C ATOM 672 C GLU A 134 65.383 2.429 -7.661 1.00 0.00 C ATOM 673 O GLU A 134 65.974 1.789 -6.792 1.00 0.00 O ATOM 674 CB GLU A 134 65.036 1.658 -10.004 1.00 0.00 C ATOM 675 CG GLU A 134 66.015 0.483 -10.049 1.00 0.00 C ATOM 676 CD GLU A 134 65.363 -0.698 -10.760 1.00 0.00 C ATOM 677 OE1 GLU A 134 65.180 -0.613 -11.963 1.00 0.00 O ATOM 678 OE2 GLU A 134 65.058 -1.672 -10.091 1.00 0.00 O ATOM 0 H GLU A 134 62.928 2.875 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 134 64.192 0.742 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.261 1.528 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 134 65.556 2.587 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.927 0.776 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 134 66.303 0.198 -9.037 1.00 0.00 H new ATOM 685 N GLU A 135 65.553 3.736 -7.839 1.00 0.00 N ATOM 686 CA GLU A 135 66.470 4.500 -6.995 1.00 0.00 C ATOM 687 C GLU A 135 66.189 4.245 -5.516 1.00 0.00 C ATOM 688 O GLU A 135 67.080 3.858 -4.759 1.00 0.00 O ATOM 689 CB GLU A 135 66.334 5.997 -7.276 1.00 0.00 C ATOM 690 CG GLU A 135 67.419 6.429 -8.263 1.00 0.00 C ATOM 691 CD GLU A 135 67.172 7.871 -8.693 1.00 0.00 C ATOM 692 OE1 GLU A 135 66.320 8.509 -8.096 1.00 0.00 O ATOM 693 OE2 GLU A 135 67.839 8.317 -9.612 1.00 0.00 O ATOM 0 H GLU A 135 65.074 4.285 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 135 67.484 4.174 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 135 65.347 6.213 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 135 66.425 6.562 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.402 6.340 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 135 67.415 5.773 -9.134 1.00 0.00 H new ATOM 700 N LEU A 136 64.944 4.476 -5.109 1.00 0.00 N ATOM 701 CA LEU A 136 64.559 4.276 -3.714 1.00 0.00 C ATOM 702 C LEU A 136 64.727 2.814 -3.307 1.00 0.00 C ATOM 703 O LEU A 136 65.442 2.499 -2.356 1.00 0.00 O ATOM 704 CB LEU A 136 63.103 4.690 -3.495 1.00 0.00 C ATOM 705 CG LEU A 136 62.991 5.499 -2.200 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.765 6.410 -2.271 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.846 4.544 -1.013 1.00 0.00 C ATOM 0 H LEU A 136 64.191 4.798 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 136 65.211 4.896 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.752 5.284 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.467 3.807 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 136 63.888 6.105 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.686 6.986 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.866 7.091 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.868 5.804 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.766 5.119 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.949 3.938 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.719 3.894 -0.960 1.00 0.00 H new ATOM 719 N MET A 137 64.054 1.925 -4.033 1.00 0.00 N ATOM 720 CA MET A 137 64.131 0.496 -3.734 1.00 0.00 C ATOM 721 C MET A 137 65.585 0.047 -3.614 1.00 0.00 C ATOM 722 O MET A 137 65.898 -0.896 -2.888 1.00 0.00 O ATOM 723 CB MET A 137 63.445 -0.321 -4.830 1.00 0.00 C ATOM 724 CG MET A 137 62.812 -1.571 -4.214 1.00 0.00 C ATOM 725 SD MET A 137 64.030 -2.910 -4.174 1.00 0.00 S ATOM 726 CE MET A 137 62.894 -4.234 -3.693 1.00 0.00 C ATOM 0 H MET A 137 63.456 2.164 -4.824 1.00 0.00 H new ATOM 0 HA MET A 137 63.622 0.328 -2.785 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.682 0.281 -5.323 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.169 -0.606 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 137 62.461 -1.354 -3.205 1.00 0.00 H new ATOM 0 HG3 MET A 137 61.941 -1.875 -4.795 1.00 0.00 H new ATOM 0 HE1 MET A 137 63.443 -5.172 -3.608 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.438 -3.992 -2.733 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.115 -4.337 -4.448 1.00 0.00 H new ATOM 736 N LYS A 138 66.468 0.732 -4.334 1.00 0.00 N ATOM 737 CA LYS A 138 67.889 0.391 -4.299 1.00 0.00 C ATOM 738 C LYS A 138 68.425 0.494 -2.875 1.00 0.00 C ATOM 739 O LYS A 138 68.771 -0.510 -2.251 1.00 0.00 O ATOM 740 CB LYS A 138 68.690 1.331 -5.202 1.00 0.00 C ATOM 741 CG LYS A 138 69.955 0.619 -5.687 1.00 0.00 C ATOM 742 CD LYS A 138 70.536 1.371 -6.886 1.00 0.00 C ATOM 743 CE LYS A 138 71.873 0.743 -7.284 1.00 0.00 C ATOM 744 NZ LYS A 138 72.921 1.801 -7.346 1.00 0.00 N ATOM 0 H LYS A 138 66.231 1.516 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 138 67.998 -0.633 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.084 1.638 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 138 68.956 2.237 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.690 0.572 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.722 -0.408 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 138 69.840 1.333 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 138 70.676 2.423 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 138 72.157 -0.023 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 138 71.781 0.250 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 73.830 1.374 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 72.651 2.516 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 73.014 2.252 -6.414 1.00 0.00 H new ATOM 758 N ASP A 139 68.491 1.722 -2.368 1.00 0.00 N ATOM 759 CA ASP A 139 68.988 1.952 -1.015 1.00 0.00 C ATOM 760 C ASP A 139 68.038 1.343 0.011 1.00 0.00 C ATOM 761 O ASP A 139 68.445 0.973 1.113 1.00 0.00 O ATOM 762 CB ASP A 139 69.122 3.452 -0.742 1.00 0.00 C ATOM 763 CG ASP A 139 70.525 3.752 -0.228 1.00 0.00 C ATOM 764 OD1 ASP A 139 71.467 3.519 -0.966 1.00 0.00 O ATOM 765 OD2 ASP A 139 70.636 4.211 0.897 1.00 0.00 O ATOM 0 H ASP A 139 68.210 2.565 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 139 69.966 1.479 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 139 68.929 4.017 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 139 68.380 3.767 -0.009 1.00 0.00 H new ATOM 770 N GLY A 140 66.766 1.242 -0.364 1.00 0.00 N ATOM 771 CA GLY A 140 65.762 0.674 0.532 1.00 0.00 C ATOM 772 C GLY A 140 66.084 -0.782 0.848 1.00 0.00 C ATOM 773 O GLY A 140 65.612 -1.335 1.842 1.00 0.00 O ATOM 0 H GLY A 140 66.408 1.542 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.723 1.252 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.776 0.742 0.072 1.00 0.00 H new ATOM 777 N ASP A 141 66.893 -1.397 -0.010 1.00 0.00 N ATOM 778 CA ASP A 141 67.275 -2.793 0.185 1.00 0.00 C ATOM 779 C ASP A 141 68.724 -2.890 0.656 1.00 0.00 C ATOM 780 O ASP A 141 69.525 -3.640 0.098 1.00 0.00 O ATOM 781 CB ASP A 141 67.121 -3.577 -1.120 1.00 0.00 C ATOM 782 CG ASP A 141 67.203 -5.072 -0.829 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.090 -5.437 0.329 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.377 -5.830 -1.770 1.00 0.00 O ATOM 0 H ASP A 141 67.293 -0.957 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 141 66.618 -3.218 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.166 -3.339 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.902 -3.289 -1.824 1.00 0.00 H new ATOM 789 N LYS A 142 69.049 -2.123 1.693 1.00 0.00 N ATOM 790 CA LYS A 142 70.404 -2.128 2.237 1.00 0.00 C ATOM 791 C LYS A 142 70.913 -3.558 2.390 1.00 0.00 C ATOM 792 O LYS A 142 72.075 -3.853 2.111 1.00 0.00 O ATOM 793 CB LYS A 142 70.436 -1.440 3.604 1.00 0.00 C ATOM 794 CG LYS A 142 71.888 -1.274 4.059 1.00 0.00 C ATOM 795 CD LYS A 142 72.225 0.215 4.158 1.00 0.00 C ATOM 796 CE LYS A 142 72.725 0.532 5.568 1.00 0.00 C ATOM 797 NZ LYS A 142 71.640 1.199 6.342 1.00 0.00 N ATOM 0 H LYS A 142 68.401 -1.496 2.169 1.00 0.00 H new ATOM 0 HA LYS A 142 71.046 -1.586 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.949 -0.467 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 142 69.881 -2.030 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.035 -1.756 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.559 -1.764 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.987 0.476 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.344 0.814 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.034 -0.385 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 142 73.601 1.179 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 71.980 1.415 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 71.366 2.082 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 70.816 0.567 6.401 1.00 0.00 H new ATOM 811 N ASN A 143 70.028 -4.442 2.841 1.00 0.00 N ATOM 812 CA ASN A 143 70.393 -5.843 3.034 1.00 0.00 C ATOM 813 C ASN A 143 70.817 -6.473 1.711 1.00 0.00 C ATOM 814 O ASN A 143 71.724 -7.303 1.665 1.00 0.00 O ATOM 815 CB ASN A 143 69.214 -6.631 3.606 1.00 0.00 C ATOM 816 CG ASN A 143 69.563 -8.114 3.644 1.00 0.00 C ATOM 817 OD1 ASN A 143 70.717 -8.481 3.867 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.626 -8.998 3.438 1.00 0.00 N ATOM 0 H ASN A 143 69.062 -4.217 3.078 1.00 0.00 H new ATOM 0 HA ASN A 143 71.227 -5.878 3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 143 68.979 -6.276 4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.326 -6.471 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 143 68.849 -9.993 3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.670 -8.694 3.253 1.00 0.00 H new ATOM 825 N ASN A 144 70.148 -6.068 0.634 1.00 0.00 N ATOM 826 CA ASN A 144 70.463 -6.600 -0.689 1.00 0.00 C ATOM 827 C ASN A 144 69.909 -8.013 -0.844 1.00 0.00 C ATOM 828 O ASN A 144 70.653 -8.965 -1.077 1.00 0.00 O ATOM 829 CB ASN A 144 71.977 -6.633 -0.905 1.00 0.00 C ATOM 830 CG ASN A 144 72.276 -6.808 -2.390 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.823 -5.826 -3.054 1.00 0.00 O flip ATOM 832 ND2 ASN A 144 72.007 -7.863 -2.964 1.00 0.00 N flip ATOM 0 H ASN A 144 69.394 -5.382 0.650 1.00 0.00 H new ATOM 0 HA ASN A 144 70.003 -5.947 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.427 -5.710 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.418 -7.451 -0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.580 -8.631 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 144 72.211 -7.970 -3.958 1.00 0.00 H new ATOM 839 N ASP A 145 68.591 -8.137 -0.714 1.00 0.00 N ATOM 840 CA ASP A 145 67.941 -9.440 -0.843 1.00 0.00 C ATOM 841 C ASP A 145 66.659 -9.317 -1.661 1.00 0.00 C ATOM 842 O ASP A 145 65.759 -10.152 -1.562 1.00 0.00 O ATOM 843 CB ASP A 145 67.603 -10.011 0.536 1.00 0.00 C ATOM 844 CG ASP A 145 68.783 -10.827 1.052 1.00 0.00 C ATOM 845 OD1 ASP A 145 69.894 -10.327 0.995 1.00 0.00 O ATOM 846 OD2 ASP A 145 68.558 -11.942 1.495 1.00 0.00 O ATOM 0 H ASP A 145 67.957 -7.361 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 145 68.633 -10.112 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.375 -9.202 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.713 -10.638 0.474 1.00 0.00 H new ATOM 851 N GLY A 146 66.590 -8.265 -2.471 1.00 0.00 N ATOM 852 CA GLY A 146 65.416 -8.034 -3.309 1.00 0.00 C ATOM 853 C GLY A 146 64.164 -7.865 -2.456 1.00 0.00 C ATOM 854 O GLY A 146 63.090 -8.359 -2.800 1.00 0.00 O ATOM 0 H GLY A 146 67.325 -7.564 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.569 -7.143 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.283 -8.871 -3.995 1.00 0.00 H new ATOM 858 N ARG A 147 64.312 -7.160 -1.337 1.00 0.00 N ATOM 859 CA ARG A 147 63.183 -6.930 -0.439 1.00 0.00 C ATOM 860 C ARG A 147 63.647 -6.227 0.834 1.00 0.00 C ATOM 861 O ARG A 147 64.844 -6.065 1.069 1.00 0.00 O ATOM 862 CB ARG A 147 62.519 -8.256 -0.063 1.00 0.00 C ATOM 863 CG ARG A 147 63.543 -9.165 0.621 1.00 0.00 C ATOM 864 CD ARG A 147 62.895 -10.514 0.936 1.00 0.00 C ATOM 865 NE ARG A 147 63.802 -11.350 1.719 1.00 0.00 N ATOM 866 CZ ARG A 147 63.547 -12.641 1.916 1.00 0.00 C ATOM 867 NH1 ARG A 147 62.472 -13.180 1.407 1.00 0.00 N ATOM 868 NH2 ARG A 147 64.371 -13.370 2.619 1.00 0.00 N ATOM 0 H ARG A 147 65.191 -6.742 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 147 62.463 -6.299 -0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.675 -8.076 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.124 -8.742 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.409 -9.307 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.904 -8.699 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 147 61.968 -10.358 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.632 -11.023 0.008 1.00 0.00 H new ATOM 0 HE ARG A 147 64.644 -10.938 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 147 61.827 -12.611 0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 147 62.277 -14.170 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 147 65.211 -12.950 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 147 64.175 -14.360 2.770 1.00 0.00 H new ATOM 882 N ILE A 148 62.683 -5.812 1.652 1.00 0.00 N ATOM 883 CA ILE A 148 63.000 -5.126 2.902 1.00 0.00 C ATOM 884 C ILE A 148 62.502 -5.944 4.094 1.00 0.00 C ATOM 885 O ILE A 148 61.545 -6.711 3.984 1.00 0.00 O ATOM 886 CB ILE A 148 62.363 -3.727 2.916 1.00 0.00 C ATOM 887 CG1 ILE A 148 63.318 -2.746 2.243 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.102 -3.256 4.351 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.620 -2.108 1.049 1.00 0.00 C ATOM 0 H ILE A 148 61.686 -5.937 1.475 1.00 0.00 H new ATOM 0 HA ILE A 148 64.082 -5.019 2.978 1.00 0.00 H new ATOM 0 HB ILE A 148 61.412 -3.771 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 148 63.628 -1.978 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 148 64.221 -3.263 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.651 -2.264 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 148 61.425 -3.953 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.044 -3.216 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 148 63.298 -1.406 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.332 -2.883 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 148 61.730 -1.578 1.388 1.00 0.00 H new ATOM 901 N ASP A 149 63.163 -5.765 5.235 1.00 0.00 N ATOM 902 CA ASP A 149 62.783 -6.485 6.447 1.00 0.00 C ATOM 903 C ASP A 149 62.510 -5.500 7.580 1.00 0.00 C ATOM 904 O ASP A 149 62.749 -4.300 7.448 1.00 0.00 O ATOM 905 CB ASP A 149 63.896 -7.443 6.878 1.00 0.00 C ATOM 906 CG ASP A 149 64.620 -7.972 5.644 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.972 -8.604 4.827 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.813 -7.739 5.537 1.00 0.00 O ATOM 0 H ASP A 149 63.957 -5.134 5.346 1.00 0.00 H new ATOM 0 HA ASP A 149 61.881 -7.057 6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.600 -6.929 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.476 -8.271 7.449 1.00 0.00 H new ATOM 913 N TYR A 150 62.009 -6.022 8.696 1.00 0.00 N ATOM 914 CA TYR A 150 61.709 -5.177 9.848 1.00 0.00 C ATOM 915 C TYR A 150 62.939 -4.366 10.240 1.00 0.00 C ATOM 916 O TYR A 150 62.835 -3.327 10.893 1.00 0.00 O ATOM 917 CB TYR A 150 61.271 -6.028 11.040 1.00 0.00 C ATOM 918 CG TYR A 150 59.781 -5.885 11.240 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.904 -6.149 10.181 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.276 -5.489 12.484 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.522 -6.017 10.366 1.00 0.00 C ATOM 922 CE2 TYR A 150 57.895 -5.356 12.670 1.00 0.00 C ATOM 923 CZ TYR A 150 57.017 -5.621 11.611 1.00 0.00 C ATOM 924 OH TYR A 150 55.656 -5.490 11.794 1.00 0.00 O ATOM 0 H TYR A 150 61.804 -7.013 8.827 1.00 0.00 H new ATOM 0 HA TYR A 150 60.898 -4.503 9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 150 61.527 -7.073 10.868 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.801 -5.714 11.939 1.00 0.00 H new ATOM 0 HD1 TYR A 150 59.293 -6.455 9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 150 59.952 -5.286 13.301 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.846 -6.221 9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 150 57.506 -5.049 13.630 1.00 0.00 H new ATOM 0 HH TYR A 150 55.475 -5.209 12.715 1.00 0.00 H new ATOM 934 N ASP A 151 64.107 -4.853 9.829 1.00 0.00 N ATOM 935 CA ASP A 151 65.360 -4.168 10.136 1.00 0.00 C ATOM 936 C ASP A 151 65.527 -2.948 9.236 1.00 0.00 C ATOM 937 O ASP A 151 65.534 -1.810 9.705 1.00 0.00 O ATOM 938 CB ASP A 151 66.549 -5.107 9.928 1.00 0.00 C ATOM 939 CG ASP A 151 66.688 -6.028 11.136 1.00 0.00 C ATOM 940 OD1 ASP A 151 66.676 -5.522 12.246 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.805 -7.225 10.933 1.00 0.00 O ATOM 0 H ASP A 151 64.212 -5.711 9.288 1.00 0.00 H new ATOM 0 HA ASP A 151 65.328 -3.853 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.406 -5.697 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 151 67.463 -4.529 9.791 1.00 0.00 H new ATOM 946 N GLU A 152 65.654 -3.200 7.936 1.00 0.00 N ATOM 947 CA GLU A 152 65.812 -2.115 6.974 1.00 0.00 C ATOM 948 C GLU A 152 64.624 -1.164 7.065 1.00 0.00 C ATOM 949 O GLU A 152 64.770 0.053 6.957 1.00 0.00 O ATOM 950 CB GLU A 152 65.897 -2.669 5.552 1.00 0.00 C ATOM 951 CG GLU A 152 67.322 -3.146 5.270 1.00 0.00 C ATOM 952 CD GLU A 152 67.274 -4.495 4.562 1.00 0.00 C ATOM 953 OE1 GLU A 152 67.108 -5.494 5.243 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.404 -4.510 3.349 1.00 0.00 O ATOM 0 H GLU A 152 65.651 -4.135 7.528 1.00 0.00 H new ATOM 0 HA GLU A 152 66.733 -1.581 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 152 65.196 -3.495 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.612 -1.900 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.846 -2.417 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 152 67.880 -3.232 6.203 1.00 0.00 H new ATOM 961 N PHE A 153 63.443 -1.741 7.268 1.00 0.00 N ATOM 962 CA PHE A 153 62.223 -0.948 7.377 1.00 0.00 C ATOM 963 C PHE A 153 62.264 -0.079 8.631 1.00 0.00 C ATOM 964 O PHE A 153 62.044 1.130 8.573 1.00 0.00 O ATOM 965 CB PHE A 153 60.997 -1.860 7.442 1.00 0.00 C ATOM 966 CG PHE A 153 59.761 -1.072 7.078 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.681 -0.428 5.837 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.695 -0.986 7.981 1.00 0.00 C ATOM 969 CE1 PHE A 153 58.535 0.302 5.500 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.549 -0.256 7.644 1.00 0.00 C ATOM 971 CZ PHE A 153 57.469 0.388 6.404 1.00 0.00 C ATOM 0 H PHE A 153 63.305 -2.747 7.360 1.00 0.00 H new ATOM 0 HA PHE A 153 62.154 -0.311 6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 153 61.119 -2.700 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.893 -2.276 8.444 1.00 0.00 H new ATOM 0 HD1 PHE A 153 60.503 -0.495 5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.757 -1.483 8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 153 58.473 0.799 4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.727 -0.190 8.341 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.585 0.951 6.144 1.00 0.00 H new ATOM 981 N LEU A 154 62.551 -0.712 9.766 1.00 0.00 N ATOM 982 CA LEU A 154 62.620 0.013 11.032 1.00 0.00 C ATOM 983 C LEU A 154 63.604 1.173 10.927 1.00 0.00 C ATOM 984 O LEU A 154 63.376 2.251 11.475 1.00 0.00 O ATOM 985 CB LEU A 154 63.064 -0.918 12.163 1.00 0.00 C ATOM 986 CG LEU A 154 61.851 -1.673 12.709 1.00 0.00 C ATOM 987 CD1 LEU A 154 62.312 -2.712 13.732 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.898 -0.683 13.384 1.00 0.00 C ATOM 0 H LEU A 154 62.737 -1.712 9.836 1.00 0.00 H new ATOM 0 HA LEU A 154 61.625 0.398 11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.810 -1.623 11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.535 -0.341 12.959 1.00 0.00 H new ATOM 0 HG LEU A 154 61.337 -2.175 11.889 1.00 0.00 H new ATOM 0 HD11 LEU A 154 61.447 -3.249 14.120 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.992 -3.417 13.254 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.826 -2.212 14.552 1.00 0.00 H new ATOM 0 HD21 LEU A 154 60.033 -1.219 13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 154 61.414 -0.182 14.203 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.568 0.058 12.656 1.00 0.00 H new ATOM 1000 N GLU A 155 64.701 0.940 10.214 1.00 0.00 N ATOM 1001 CA GLU A 155 65.716 1.974 10.039 1.00 0.00 C ATOM 1002 C GLU A 155 65.293 2.946 8.944 1.00 0.00 C ATOM 1003 O GLU A 155 65.245 4.158 9.152 1.00 0.00 O ATOM 1004 CB GLU A 155 67.060 1.350 9.659 1.00 0.00 C ATOM 1005 CG GLU A 155 67.793 0.902 10.925 1.00 0.00 C ATOM 1006 CD GLU A 155 69.014 0.074 10.540 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.862 -0.834 9.740 1.00 0.00 O ATOM 1008 OE2 GLU A 155 70.085 0.361 11.050 1.00 0.00 O ATOM 0 H GLU A 155 64.909 0.055 9.752 1.00 0.00 H new ATOM 0 HA GLU A 155 65.821 2.508 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.903 0.499 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 155 67.666 2.072 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.099 1.771 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.126 0.314 11.555 1.00 0.00 H new ATOM 1015 N PHE A 156 64.986 2.397 7.773 1.00 0.00 N ATOM 1016 CA PHE A 156 64.564 3.221 6.645 1.00 0.00 C ATOM 1017 C PHE A 156 63.250 3.926 6.965 1.00 0.00 C ATOM 1018 O PHE A 156 63.178 5.154 6.991 1.00 0.00 O ATOM 1019 CB PHE A 156 64.378 2.364 5.392 1.00 0.00 C ATOM 1020 CG PHE A 156 64.474 3.240 4.167 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.404 4.071 3.816 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.634 3.225 3.383 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.492 4.886 2.681 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.723 4.040 2.248 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.653 4.871 1.897 1.00 0.00 C ATOM 0 H PHE A 156 65.021 1.396 7.581 1.00 0.00 H new ATOM 0 HA PHE A 156 65.341 3.963 6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 156 65.138 1.584 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.410 1.864 5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.510 4.084 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 156 66.460 2.585 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 156 62.665 5.526 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.618 4.027 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.722 5.500 1.022 1.00 0.00 H new ATOM 1035 N MET A 157 62.211 3.132 7.207 1.00 0.00 N ATOM 1036 CA MET A 157 60.898 3.689 7.525 1.00 0.00 C ATOM 1037 C MET A 157 60.763 3.919 9.026 1.00 0.00 C ATOM 1038 O MET A 157 59.963 3.269 9.699 1.00 0.00 O ATOM 1039 CB MET A 157 59.787 2.743 7.066 1.00 0.00 C ATOM 1040 CG MET A 157 58.468 3.512 6.983 1.00 0.00 C ATOM 1041 SD MET A 157 58.391 4.412 5.414 1.00 0.00 S ATOM 1042 CE MET A 157 56.860 3.667 4.802 1.00 0.00 C ATOM 0 H MET A 157 62.250 2.113 7.190 1.00 0.00 H new ATOM 0 HA MET A 157 60.804 4.640 7.002 1.00 0.00 H new ATOM 0 HB2 MET A 157 60.035 2.318 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.692 1.910 7.763 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.627 2.822 7.061 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.387 4.208 7.818 1.00 0.00 H new ATOM 0 HE1 MET A 157 56.994 3.360 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 157 56.611 2.797 5.409 1.00 0.00 H new ATOM 0 HE3 MET A 157 56.051 4.395 4.863 1.00 0.00 H new ATOM 1052 N LYS A 158 61.553 4.854 9.544 1.00 0.00 N ATOM 1053 CA LYS A 158 61.512 5.166 10.970 1.00 0.00 C ATOM 1054 C LYS A 158 60.291 6.023 11.289 1.00 0.00 C ATOM 1055 O LYS A 158 60.386 7.244 11.407 1.00 0.00 O ATOM 1056 CB LYS A 158 62.774 5.922 11.391 1.00 0.00 C ATOM 1057 CG LYS A 158 62.843 5.991 12.919 1.00 0.00 C ATOM 1058 CD LYS A 158 64.044 6.841 13.338 1.00 0.00 C ATOM 1059 CE LYS A 158 64.741 6.186 14.531 1.00 0.00 C ATOM 1060 NZ LYS A 158 65.971 5.487 14.064 1.00 0.00 N ATOM 0 H LYS A 158 62.223 5.404 9.006 1.00 0.00 H new ATOM 0 HA LYS A 158 61.454 4.226 11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.659 5.421 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.765 6.928 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.923 6.421 13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.931 4.988 13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.741 6.940 12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.717 7.847 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.998 6.940 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 158 64.069 5.478 15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 66.446 5.041 14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.713 4.757 13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 66.614 6.174 13.621 1.00 0.00 H new ATOM 1074 N GLY A 159 59.141 5.367 11.423 1.00 0.00 N ATOM 1075 CA GLY A 159 57.902 6.079 11.724 1.00 0.00 C ATOM 1076 C GLY A 159 57.704 7.241 10.759 1.00 0.00 C ATOM 1077 O GLY A 159 57.667 8.404 11.163 1.00 0.00 O ATOM 0 H GLY A 159 59.041 4.356 11.329 1.00 0.00 H new ATOM 0 HA2 GLY A 159 57.057 5.394 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.929 6.450 12.748 1.00 0.00 H new ATOM 1081 N VAL A 160 57.581 6.913 9.476 1.00 0.00 N ATOM 1082 CA VAL A 160 57.392 7.938 8.453 1.00 0.00 C ATOM 1083 C VAL A 160 55.910 8.254 8.280 1.00 0.00 C ATOM 1084 O VAL A 160 55.438 9.321 8.673 1.00 0.00 O ATOM 1085 CB VAL A 160 57.962 7.468 7.113 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.995 8.642 6.132 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.384 6.941 7.323 1.00 0.00 C ATOM 0 H VAL A 160 57.608 5.957 9.122 1.00 0.00 H new ATOM 0 HA VAL A 160 57.918 8.836 8.776 1.00 0.00 H new ATOM 0 HB VAL A 160 57.334 6.674 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.401 8.307 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.984 9.021 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 160 58.624 9.436 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.792 6.606 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 160 60.011 7.736 7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.363 6.105 8.023 1.00 0.00 H new ATOM 1097 N GLU A 161 55.182 7.312 7.687 1.00 0.00 N ATOM 1098 CA GLU A 161 53.751 7.496 7.463 1.00 0.00 C ATOM 1099 C GLU A 161 53.510 8.535 6.372 1.00 0.00 C ATOM 1100 O GLU A 161 53.616 8.179 5.209 1.00 0.00 O ATOM 1101 CB GLU A 161 53.061 7.955 8.749 1.00 0.00 C ATOM 1102 CG GLU A 161 51.661 7.344 8.819 1.00 0.00 C ATOM 1103 CD GLU A 161 50.867 7.754 7.584 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.117 7.193 6.529 1.00 0.00 O ATOM 1105 OE2 GLU A 161 50.021 8.623 7.709 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.223 9.670 6.714 1.00 0.00 O ATOM 0 H GLU A 161 55.554 6.422 7.356 1.00 0.00 H new ATOM 0 HA GLU A 161 53.335 6.538 7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.646 7.652 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.997 9.043 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 161 51.729 6.258 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.150 7.680 9.721 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.505 -7.759 -0.211 1.00 0.00 CA HETATM 1115 CA CA A 3 66.473 -6.347 2.650 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.156 0.844 2.645 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.618 1.172 1.685 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.711 0.761 2.073 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.555 2.055 0.694 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.415 2.734 0.319 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.183 2.673 0.698 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.794 1.560 1.695 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.095 0.419 0.954 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.251 3.916 0.471 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.615 4.518 1.565 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.780 5.632 1.374 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.589 6.134 0.063 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.226 5.528 -1.027 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.059 4.420 -0.823 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.674 7.337 -0.130 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.319 8.184 1.086 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.971 7.802 2.398 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.089 6.272 2.588 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.143 7.702 -1.364 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.389 7.060 -2.384 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.228 8.919 -1.507 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.656 10.021 -2.261 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.970 11.241 -2.176 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.440 12.309 -2.951 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.868 11.363 -1.347 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.153 12.560 -1.227 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.433 10.265 -0.590 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.112 9.044 -0.670 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.546 12.220 -3.886 1.00 0.00 C HETATM 1145 C26 EMD A 1 52.207 12.844 -0.167 1.00 0.00 C HETATM 0 H263 EMD A 1 51.402 12.109 -0.191 1.00 0.00 H new HETATM 0 H262 EMD A 1 52.714 12.794 0.796 1.00 0.00 H new HETATM 0 H261 EMD A 1 51.792 13.842 -0.308 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.450 11.923 -3.354 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.316 11.479 -4.652 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.704 13.191 -4.356 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.098 5.838 2.720 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.656 6.054 3.493 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.965 8.247 2.447 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.393 8.222 3.221 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.579 9.219 0.866 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.238 8.148 1.221 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.769 4.121 2.568 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.805 -0.071 0.288 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.715 -0.304 1.675 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.266 0.819 0.370 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.144 2.060 2.413 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.411 2.244 0.173 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.773 8.191 -0.082 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.565 10.363 0.062 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.524 9.929 -2.914 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.558 3.950 -1.671 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.074 5.918 -2.033 1.00 0.00 H new