USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 172:sc= -1.32 (180deg=-1.43) USER MOD Single : A 1 MET N :NH3+ -153:sc= -3.12! (180deg=-4.46!) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0436) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -41:sc= -1.48! USER MOD Single : A 13 TYR OH : rot 75:sc= 0.569 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 14:sc= 0.549 USER MOD Single : A 19 MET CE :methyl -174:sc= -4.71! (180deg=-4.86!) USER MOD Single : A 20 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.9!) USER MOD Single : A 22 ASN : amide:sc= -0.653 K(o=-0.65,f=-1.3) USER MOD Single : A 31 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -48:sc= 0.645 USER MOD Single : A 40 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.54) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00451 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.742 -4.800 -0.906 1.00 0.00 N ATOM 2 CA MET A 1 11.223 -4.570 -2.282 1.00 0.00 C ATOM 3 C MET A 1 11.394 -5.811 -3.150 1.00 0.00 C ATOM 4 O MET A 1 10.531 -6.135 -3.966 1.00 0.00 O ATOM 5 CB MET A 1 11.974 -3.387 -2.901 1.00 0.00 C ATOM 6 CG MET A 1 11.899 -2.115 -2.073 1.00 0.00 C ATOM 7 SD MET A 1 10.402 -1.163 -2.397 1.00 0.00 S ATOM 8 CE MET A 1 9.315 -1.795 -1.122 1.00 0.00 C ATOM 0 H1 MET A 1 11.238 -4.183 -0.237 1.00 0.00 H new ATOM 0 H2 MET A 1 11.592 -5.794 -0.640 1.00 0.00 H new ATOM 0 H3 MET A 1 12.759 -4.584 -0.878 1.00 0.00 H new ATOM 0 HA MET A 1 10.157 -4.350 -2.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.020 -3.662 -3.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.568 -3.189 -3.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.940 -2.372 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.771 -1.496 -2.284 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.399 -1.205 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.071 -2.836 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.812 -1.729 -0.154 1.00 0.00 H new ATOM 20 N ARG A 2 12.515 -6.505 -2.970 1.00 0.00 N ATOM 21 CA ARG A 2 12.799 -7.711 -3.738 1.00 0.00 C ATOM 22 C ARG A 2 12.114 -8.927 -3.122 1.00 0.00 C ATOM 23 O ARG A 2 11.418 -9.675 -3.809 1.00 0.00 O ATOM 24 CB ARG A 2 14.308 -7.947 -3.819 1.00 0.00 C ATOM 25 CG ARG A 2 14.699 -9.042 -4.798 1.00 0.00 C ATOM 26 CD ARG A 2 16.209 -9.199 -4.884 1.00 0.00 C ATOM 27 NE ARG A 2 16.594 -10.505 -5.415 1.00 0.00 N ATOM 28 CZ ARG A 2 17.853 -10.938 -5.499 1.00 0.00 C ATOM 29 NH1 ARG A 2 18.860 -10.174 -5.088 1.00 0.00 N ATOM 30 NH2 ARG A 2 18.106 -12.141 -5.996 1.00 0.00 N ATOM 0 H ARG A 2 13.240 -6.252 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 2 12.406 -7.569 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.798 -7.018 -4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.681 -8.206 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.251 -9.986 -4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.300 -8.809 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 2 16.620 -8.414 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.644 -9.068 -3.893 1.00 0.00 H new ATOM 0 HE ARG A 2 15.853 -11.125 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 2 18.674 -9.248 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.819 -10.514 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.339 -12.733 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.068 -12.474 -6.061 1.00 0.00 H new ATOM 44 N LYS A 3 12.315 -9.122 -1.821 1.00 0.00 N ATOM 45 CA LYS A 3 11.716 -10.250 -1.117 1.00 0.00 C ATOM 46 C LYS A 3 11.688 -10.004 0.388 1.00 0.00 C ATOM 47 O LYS A 3 12.695 -10.182 1.075 1.00 0.00 O ATOM 48 CB LYS A 3 12.487 -11.536 -1.420 1.00 0.00 C ATOM 49 CG LYS A 3 11.771 -12.796 -0.962 1.00 0.00 C ATOM 50 CD LYS A 3 12.113 -13.984 -1.845 1.00 0.00 C ATOM 51 CE LYS A 3 11.187 -15.160 -1.581 1.00 0.00 C ATOM 52 NZ LYS A 3 11.251 -15.610 -0.164 1.00 0.00 N ATOM 0 H LYS A 3 12.887 -8.514 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 3 10.689 -10.358 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.665 -11.599 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.463 -11.487 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.046 -13.017 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.694 -12.629 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.042 -13.692 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.145 -14.285 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.163 -14.878 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.456 -15.988 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.741 -16.511 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.245 -15.742 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.812 -14.893 0.448 1.00 0.00 H new ATOM 66 N LEU A 4 10.530 -9.596 0.895 1.00 0.00 N ATOM 67 CA LEU A 4 10.366 -9.325 2.320 1.00 0.00 C ATOM 68 C LEU A 4 9.158 -10.073 2.877 1.00 0.00 C ATOM 69 O LEU A 4 8.150 -10.240 2.190 1.00 0.00 O ATOM 70 CB LEU A 4 10.196 -7.822 2.569 1.00 0.00 C ATOM 71 CG LEU A 4 10.973 -6.902 1.621 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.737 -5.443 1.984 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.461 -7.229 1.653 1.00 0.00 C ATOM 0 H LEU A 4 9.688 -9.445 0.339 1.00 0.00 H new ATOM 0 HA LEU A 4 11.265 -9.672 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.136 -7.577 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.504 -7.604 3.592 1.00 0.00 H new ATOM 0 HG LEU A 4 10.610 -7.068 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.296 -4.803 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.674 -5.216 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.072 -5.263 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 4 12.994 -6.565 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.842 -7.094 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.613 -8.263 1.343 1.00 0.00 H new ATOM 85 N SER A 5 9.261 -10.512 4.129 1.00 0.00 N ATOM 86 CA SER A 5 8.168 -11.228 4.781 1.00 0.00 C ATOM 87 C SER A 5 6.923 -10.358 4.832 1.00 0.00 C ATOM 88 O SER A 5 7.008 -9.137 4.705 1.00 0.00 O ATOM 89 CB SER A 5 8.574 -11.644 6.196 1.00 0.00 C ATOM 90 OG SER A 5 9.575 -12.646 6.166 1.00 0.00 O ATOM 0 H SER A 5 10.089 -10.385 4.711 1.00 0.00 H new ATOM 0 HA SER A 5 7.947 -12.124 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.941 -10.775 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.701 -12.014 6.734 1.00 0.00 H new ATOM 0 HG SER A 5 9.818 -12.893 7.083 1.00 0.00 H new ATOM 96 N ASP A 6 5.761 -10.982 5.024 1.00 0.00 N ATOM 97 CA ASP A 6 4.506 -10.228 5.097 1.00 0.00 C ATOM 98 C ASP A 6 4.611 -9.136 6.154 1.00 0.00 C ATOM 99 O ASP A 6 3.987 -8.089 6.042 1.00 0.00 O ATOM 100 CB ASP A 6 3.303 -11.135 5.412 1.00 0.00 C ATOM 101 CG ASP A 6 3.390 -12.501 4.753 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.017 -12.601 3.678 1.00 0.00 O ATOM 103 OD2 ASP A 6 2.830 -13.467 5.312 1.00 0.00 O ATOM 0 H ASP A 6 5.660 -11.991 5.131 1.00 0.00 H new ATOM 0 HA ASP A 6 4.340 -9.781 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.228 -11.265 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.388 -10.640 5.086 1.00 0.00 H new ATOM 108 N GLU A 7 5.424 -9.381 7.172 1.00 0.00 N ATOM 109 CA GLU A 7 5.610 -8.403 8.233 1.00 0.00 C ATOM 110 C GLU A 7 6.359 -7.186 7.707 1.00 0.00 C ATOM 111 O GLU A 7 6.073 -6.054 8.093 1.00 0.00 O ATOM 112 CB GLU A 7 6.359 -9.029 9.415 1.00 0.00 C ATOM 113 CG GLU A 7 5.477 -9.278 10.628 1.00 0.00 C ATOM 114 CD GLU A 7 6.180 -10.082 11.704 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.378 -9.828 11.947 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.531 -10.964 12.304 1.00 0.00 O ATOM 0 H GLU A 7 5.961 -10.241 7.285 1.00 0.00 H new ATOM 0 HA GLU A 7 4.629 -8.079 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.800 -9.973 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.181 -8.374 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.158 -8.322 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.576 -9.806 10.315 1.00 0.00 H new ATOM 123 N LEU A 8 7.313 -7.430 6.819 1.00 0.00 N ATOM 124 CA LEU A 8 8.103 -6.359 6.226 1.00 0.00 C ATOM 125 C LEU A 8 7.361 -5.711 5.063 1.00 0.00 C ATOM 126 O LEU A 8 7.434 -4.498 4.864 1.00 0.00 O ATOM 127 CB LEU A 8 9.450 -6.895 5.752 1.00 0.00 C ATOM 128 CG LEU A 8 10.535 -6.933 6.826 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.975 -5.523 7.187 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.045 -7.674 8.062 1.00 0.00 C ATOM 0 H LEU A 8 7.559 -8.364 6.492 1.00 0.00 H new ATOM 0 HA LEU A 8 8.270 -5.601 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.308 -7.903 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.800 -6.279 4.923 1.00 0.00 H new ATOM 0 HG LEU A 8 11.394 -7.471 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.748 -5.568 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.371 -5.027 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.121 -4.961 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.834 -7.689 8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.168 -7.168 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.781 -8.697 7.792 1.00 0.00 H new ATOM 142 N LEU A 9 6.651 -6.531 4.295 1.00 0.00 N ATOM 143 CA LEU A 9 5.897 -6.042 3.147 1.00 0.00 C ATOM 144 C LEU A 9 4.629 -5.324 3.586 1.00 0.00 C ATOM 145 O LEU A 9 4.238 -4.319 2.990 1.00 0.00 O ATOM 146 CB LEU A 9 5.547 -7.200 2.210 1.00 0.00 C ATOM 147 CG LEU A 9 5.039 -6.783 0.828 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.166 -6.175 0.007 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.432 -7.975 0.105 1.00 0.00 C ATOM 0 H LEU A 9 6.582 -7.537 4.447 1.00 0.00 H new ATOM 0 HA LEU A 9 6.524 -5.328 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.431 -7.824 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.787 -7.818 2.689 1.00 0.00 H new ATOM 0 HG LEU A 9 4.264 -6.027 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.787 -5.884 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.557 -5.296 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.963 -6.908 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.075 -7.662 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.187 -8.752 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.597 -8.367 0.686 1.00 0.00 H new ATOM 161 N ILE A 10 3.989 -5.834 4.629 1.00 0.00 N ATOM 162 CA ILE A 10 2.771 -5.221 5.130 1.00 0.00 C ATOM 163 C ILE A 10 3.098 -3.959 5.912 1.00 0.00 C ATOM 164 O ILE A 10 2.379 -2.963 5.832 1.00 0.00 O ATOM 165 CB ILE A 10 1.954 -6.203 5.995 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.530 -7.396 5.142 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.730 -5.522 6.601 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.144 -8.601 5.957 1.00 0.00 C ATOM 0 H ILE A 10 4.291 -6.664 5.140 1.00 0.00 H new ATOM 0 HA ILE A 10 2.155 -4.953 4.272 1.00 0.00 H new ATOM 0 HB ILE A 10 2.581 -6.546 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.687 -7.105 4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.347 -7.665 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.176 -6.240 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.050 -4.691 7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.089 -5.148 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.853 -9.413 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.992 -8.916 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.307 -8.348 6.607 1.00 0.00 H new ATOM 180 N GLU A 11 4.198 -3.997 6.651 1.00 0.00 N ATOM 181 CA GLU A 11 4.623 -2.844 7.422 1.00 0.00 C ATOM 182 C GLU A 11 4.926 -1.675 6.496 1.00 0.00 C ATOM 183 O GLU A 11 4.768 -0.518 6.876 1.00 0.00 O ATOM 184 CB GLU A 11 5.860 -3.181 8.251 1.00 0.00 C ATOM 185 CG GLU A 11 5.540 -3.741 9.628 1.00 0.00 C ATOM 186 CD GLU A 11 6.745 -4.379 10.291 1.00 0.00 C ATOM 187 OE1 GLU A 11 7.669 -4.801 9.564 1.00 0.00 O ATOM 188 OE2 GLU A 11 6.764 -4.459 11.538 1.00 0.00 O ATOM 0 H GLU A 11 4.808 -4.811 6.731 1.00 0.00 H new ATOM 0 HA GLU A 11 3.814 -2.565 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.465 -3.905 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.465 -2.282 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.162 -2.940 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.744 -4.481 9.540 1.00 0.00 H new ATOM 195 N SER A 12 5.348 -1.984 5.272 1.00 0.00 N ATOM 196 CA SER A 12 5.653 -0.949 4.295 1.00 0.00 C ATOM 197 C SER A 12 4.361 -0.349 3.758 1.00 0.00 C ATOM 198 O SER A 12 4.230 0.869 3.639 1.00 0.00 O ATOM 199 CB SER A 12 6.496 -1.514 3.150 1.00 0.00 C ATOM 200 OG SER A 12 5.763 -2.457 2.389 1.00 0.00 O ATOM 0 H SER A 12 5.485 -2.938 4.937 1.00 0.00 H new ATOM 0 HA SER A 12 6.232 -0.166 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.828 -0.701 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.392 -1.986 3.553 1.00 0.00 H new ATOM 0 HG SER A 12 5.240 -3.027 2.991 1.00 0.00 H new ATOM 206 N TYR A 13 3.401 -1.217 3.457 1.00 0.00 N ATOM 207 CA TYR A 13 2.108 -0.776 2.956 1.00 0.00 C ATOM 208 C TYR A 13 1.353 -0.040 4.052 1.00 0.00 C ATOM 209 O TYR A 13 0.666 0.949 3.796 1.00 0.00 O ATOM 210 CB TYR A 13 1.283 -1.970 2.475 1.00 0.00 C ATOM 211 CG TYR A 13 0.006 -1.575 1.768 1.00 0.00 C ATOM 212 CD1 TYR A 13 0.039 -0.969 0.518 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.232 -1.807 2.352 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.126 -0.606 -0.129 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.402 -1.447 1.711 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.344 -0.847 0.471 1.00 0.00 C ATOM 217 OH TYR A 13 -3.507 -0.487 -0.170 1.00 0.00 O ATOM 0 H TYR A 13 3.495 -2.228 3.552 1.00 0.00 H new ATOM 0 HA TYR A 13 2.273 -0.103 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.891 -2.573 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.036 -2.599 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.991 -0.779 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.281 -2.277 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.083 -0.136 -1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.357 -1.635 2.179 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.685 -1.115 -0.901 1.00 0.00 H new ATOM 227 N PHE A 14 1.491 -0.533 5.277 1.00 0.00 N ATOM 228 CA PHE A 14 0.830 0.070 6.425 1.00 0.00 C ATOM 229 C PHE A 14 1.519 1.376 6.813 1.00 0.00 C ATOM 230 O PHE A 14 0.861 2.371 7.124 1.00 0.00 O ATOM 231 CB PHE A 14 0.827 -0.915 7.600 1.00 0.00 C ATOM 232 CG PHE A 14 -0.139 -2.079 7.454 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.780 -2.347 6.247 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.395 -2.911 8.534 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.650 -3.416 6.126 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.268 -3.981 8.417 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.895 -4.233 7.211 1.00 0.00 C ATOM 0 H PHE A 14 2.057 -1.352 5.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.202 0.300 6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.835 -1.311 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.582 -0.370 8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.595 -1.711 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.093 -2.722 9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.138 -3.611 5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.458 -4.618 9.268 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.575 -5.067 7.118 1.00 0.00 H new ATOM 247 N LYS A 15 2.849 1.369 6.777 1.00 0.00 N ATOM 248 CA LYS A 15 3.631 2.555 7.110 1.00 0.00 C ATOM 249 C LYS A 15 3.378 3.666 6.100 1.00 0.00 C ATOM 250 O LYS A 15 3.125 4.811 6.472 1.00 0.00 O ATOM 251 CB LYS A 15 5.124 2.221 7.142 1.00 0.00 C ATOM 252 CG LYS A 15 5.578 1.573 8.440 1.00 0.00 C ATOM 253 CD LYS A 15 5.682 2.589 9.564 1.00 0.00 C ATOM 254 CE LYS A 15 4.430 2.597 10.425 1.00 0.00 C ATOM 255 NZ LYS A 15 4.747 2.807 11.865 1.00 0.00 N ATOM 0 H LYS A 15 3.407 0.555 6.520 1.00 0.00 H new ATOM 0 HA LYS A 15 3.321 2.897 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.356 1.553 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.695 3.136 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.875 0.789 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.546 1.095 8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.549 2.360 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.843 3.582 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.759 3.385 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.900 1.652 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.866 2.806 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.367 2.042 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.230 3.720 11.985 1.00 0.00 H new ATOM 269 N ALA A 16 3.457 3.317 4.820 1.00 0.00 N ATOM 270 CA ALA A 16 3.248 4.284 3.750 1.00 0.00 C ATOM 271 C ALA A 16 1.827 4.828 3.751 1.00 0.00 C ATOM 272 O ALA A 16 1.604 5.998 3.444 1.00 0.00 O ATOM 273 CB ALA A 16 3.576 3.659 2.403 1.00 0.00 C ATOM 0 H ALA A 16 3.664 2.371 4.499 1.00 0.00 H new ATOM 0 HA ALA A 16 3.921 5.123 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.415 4.392 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.618 3.339 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.930 2.797 2.235 1.00 0.00 H new ATOM 279 N THR A 17 0.865 3.983 4.099 1.00 0.00 N ATOM 280 CA THR A 17 -0.529 4.404 4.137 1.00 0.00 C ATOM 281 C THR A 17 -0.744 5.441 5.233 1.00 0.00 C ATOM 282 O THR A 17 -1.579 6.337 5.101 1.00 0.00 O ATOM 283 CB THR A 17 -1.446 3.202 4.361 1.00 0.00 C ATOM 284 OG1 THR A 17 -0.956 2.383 5.408 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.603 2.333 3.132 1.00 0.00 C ATOM 0 H THR A 17 1.023 3.009 4.357 1.00 0.00 H new ATOM 0 HA THR A 17 -0.776 4.856 3.176 1.00 0.00 H new ATOM 0 HB THR A 17 -2.418 3.624 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.266 2.868 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.266 1.498 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.028 2.924 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.628 1.950 2.830 1.00 0.00 H new ATOM 293 N GLU A 18 0.016 5.313 6.316 1.00 0.00 N ATOM 294 CA GLU A 18 -0.089 6.236 7.441 1.00 0.00 C ATOM 295 C GLU A 18 0.557 7.581 7.117 1.00 0.00 C ATOM 296 O GLU A 18 -0.033 8.637 7.345 1.00 0.00 O ATOM 297 CB GLU A 18 0.561 5.626 8.686 1.00 0.00 C ATOM 298 CG GLU A 18 -0.435 4.974 9.632 1.00 0.00 C ATOM 299 CD GLU A 18 0.223 3.996 10.586 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.451 2.836 10.183 1.00 0.00 O ATOM 301 OE2 GLU A 18 0.511 4.390 11.736 1.00 0.00 O ATOM 0 H GLU A 18 0.712 4.578 6.439 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.147 6.409 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.295 4.883 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.103 6.405 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.946 5.747 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.196 4.453 9.051 1.00 0.00 H new ATOM 308 N MET A 19 1.774 7.531 6.596 1.00 0.00 N ATOM 309 CA MET A 19 2.516 8.736 6.248 1.00 0.00 C ATOM 310 C MET A 19 2.081 9.319 4.902 1.00 0.00 C ATOM 311 O MET A 19 2.461 10.438 4.557 1.00 0.00 O ATOM 312 CB MET A 19 4.008 8.423 6.210 1.00 0.00 C ATOM 313 CG MET A 19 4.410 7.472 5.094 1.00 0.00 C ATOM 314 SD MET A 19 6.197 7.364 4.883 1.00 0.00 S ATOM 315 CE MET A 19 6.464 5.615 5.159 1.00 0.00 C ATOM 0 H MET A 19 2.273 6.662 6.403 1.00 0.00 H new ATOM 0 HA MET A 19 2.304 9.483 7.012 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.562 9.355 6.097 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.303 7.991 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.013 6.480 5.307 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.957 7.803 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.534 5.407 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.030 5.327 6.117 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.990 5.044 4.360 1.00 0.00 H new ATOM 325 N ASN A 20 1.304 8.553 4.137 1.00 0.00 N ATOM 326 CA ASN A 20 0.838 8.986 2.819 1.00 0.00 C ATOM 327 C ASN A 20 1.993 8.960 1.824 1.00 0.00 C ATOM 328 O ASN A 20 2.156 9.871 1.011 1.00 0.00 O ATOM 329 CB ASN A 20 0.213 10.386 2.871 1.00 0.00 C ATOM 330 CG ASN A 20 -0.824 10.525 3.971 1.00 0.00 C ATOM 331 OD1 ASN A 20 -0.789 9.808 4.971 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.755 11.454 3.789 1.00 0.00 N ATOM 0 H ASN A 20 0.982 7.624 4.409 1.00 0.00 H new ATOM 0 HA ASN A 20 0.064 8.292 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.000 11.125 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.251 10.608 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.479 11.595 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.746 12.026 2.945 1.00 0.00 H new ATOM 339 N LEU A 21 2.792 7.900 1.902 1.00 0.00 N ATOM 340 CA LEU A 21 3.945 7.722 1.024 1.00 0.00 C ATOM 341 C LEU A 21 3.512 7.750 -0.441 1.00 0.00 C ATOM 342 O LEU A 21 2.343 7.516 -0.751 1.00 0.00 O ATOM 343 CB LEU A 21 4.628 6.389 1.351 1.00 0.00 C ATOM 344 CG LEU A 21 6.127 6.308 1.041 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.784 5.226 1.888 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.365 6.051 -0.444 1.00 0.00 C ATOM 0 H LEU A 21 2.660 7.143 2.573 1.00 0.00 H new ATOM 0 HA LEU A 21 4.648 8.539 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.485 6.181 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.120 5.598 0.799 1.00 0.00 H new ATOM 0 HG LEU A 21 6.581 7.267 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.848 5.180 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.651 5.460 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.323 4.263 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.436 5.998 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.898 5.109 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.931 6.863 -1.028 1.00 0.00 H new ATOM 358 N ASN A 22 4.455 8.046 -1.339 1.00 0.00 N ATOM 359 CA ASN A 22 4.174 8.115 -2.781 1.00 0.00 C ATOM 360 C ASN A 22 3.283 6.961 -3.252 1.00 0.00 C ATOM 361 O ASN A 22 3.475 5.812 -2.854 1.00 0.00 O ATOM 362 CB ASN A 22 5.483 8.112 -3.573 1.00 0.00 C ATOM 363 CG ASN A 22 5.303 8.615 -4.992 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.451 9.465 -5.257 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.102 8.091 -5.912 1.00 0.00 N ATOM 0 H ASN A 22 5.425 8.243 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 22 3.635 9.045 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.216 8.735 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.887 7.100 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.025 8.390 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.794 7.390 -5.647 1.00 0.00 H new ATOM 372 N ARG A 23 2.305 7.286 -4.090 1.00 0.00 N ATOM 373 CA ARG A 23 1.369 6.293 -4.611 1.00 0.00 C ATOM 374 C ARG A 23 2.090 5.145 -5.306 1.00 0.00 C ATOM 375 O ARG A 23 1.617 4.010 -5.292 1.00 0.00 O ATOM 376 CB ARG A 23 0.388 6.952 -5.582 1.00 0.00 C ATOM 377 CG ARG A 23 -0.934 6.208 -5.712 1.00 0.00 C ATOM 378 CD ARG A 23 -1.733 6.245 -4.416 1.00 0.00 C ATOM 379 NE ARG A 23 -3.079 6.779 -4.620 1.00 0.00 N ATOM 380 CZ ARG A 23 -4.058 6.706 -3.717 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.851 6.120 -2.542 1.00 0.00 N ATOM 382 NH2 ARG A 23 -5.248 7.222 -3.990 1.00 0.00 N ATOM 0 H ARG A 23 2.138 8.235 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 23 0.823 5.880 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.191 7.971 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.854 7.022 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.523 6.651 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.742 5.172 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.801 5.239 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.207 6.856 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.282 7.236 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.938 5.721 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.606 6.069 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.414 7.674 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.998 7.167 -3.301 1.00 0.00 H new ATOM 396 N ASP A 24 3.228 5.441 -5.920 1.00 0.00 N ATOM 397 CA ASP A 24 3.989 4.418 -6.623 1.00 0.00 C ATOM 398 C ASP A 24 4.522 3.366 -5.657 1.00 0.00 C ATOM 399 O ASP A 24 4.578 2.181 -5.986 1.00 0.00 O ATOM 400 CB ASP A 24 5.143 5.048 -7.405 1.00 0.00 C ATOM 401 CG ASP A 24 4.707 5.563 -8.762 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.501 4.735 -9.674 1.00 0.00 O ATOM 403 OD2 ASP A 24 4.570 6.796 -8.914 1.00 0.00 O ATOM 0 H ASP A 24 3.641 6.373 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 24 3.315 3.926 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.565 5.869 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.935 4.311 -7.536 1.00 0.00 H new ATOM 408 N PHE A 25 4.895 3.799 -4.460 1.00 0.00 N ATOM 409 CA PHE A 25 5.403 2.886 -3.448 1.00 0.00 C ATOM 410 C PHE A 25 4.247 2.089 -2.866 1.00 0.00 C ATOM 411 O PHE A 25 4.329 0.872 -2.708 1.00 0.00 O ATOM 412 CB PHE A 25 6.126 3.659 -2.343 1.00 0.00 C ATOM 413 CG PHE A 25 7.162 2.846 -1.620 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.350 2.502 -2.245 1.00 0.00 C ATOM 415 CD2 PHE A 25 6.949 2.429 -0.316 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.305 1.755 -1.583 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.902 1.682 0.351 1.00 0.00 C ATOM 418 CZ PHE A 25 9.081 1.345 -0.283 1.00 0.00 C ATOM 0 H PHE A 25 4.855 4.775 -4.168 1.00 0.00 H new ATOM 0 HA PHE A 25 6.118 2.203 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.604 4.537 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.391 4.020 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.531 2.821 -3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.029 2.690 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.226 1.492 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.724 1.362 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.827 0.762 0.236 1.00 0.00 H new ATOM 428 N ILE A 26 3.157 2.791 -2.574 1.00 0.00 N ATOM 429 CA ILE A 26 1.962 2.164 -2.034 1.00 0.00 C ATOM 430 C ILE A 26 1.416 1.137 -3.023 1.00 0.00 C ATOM 431 O ILE A 26 1.086 0.014 -2.646 1.00 0.00 O ATOM 432 CB ILE A 26 0.881 3.226 -1.710 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.386 4.163 -0.607 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.435 2.570 -1.294 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.373 5.204 -0.173 1.00 0.00 C ATOM 0 H ILE A 26 3.079 3.800 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 26 2.229 1.656 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 26 0.690 3.806 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.673 3.567 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.285 4.670 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.172 3.342 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.800 1.940 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.272 1.959 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.805 5.828 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.103 5.827 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.518 4.707 0.210 1.00 0.00 H new ATOM 447 N GLU A 27 1.336 1.526 -4.291 1.00 0.00 N ATOM 448 CA GLU A 27 0.845 0.626 -5.323 1.00 0.00 C ATOM 449 C GLU A 27 1.848 -0.497 -5.558 1.00 0.00 C ATOM 450 O GLU A 27 1.473 -1.627 -5.865 1.00 0.00 O ATOM 451 CB GLU A 27 0.586 1.389 -6.624 1.00 0.00 C ATOM 452 CG GLU A 27 -0.655 0.924 -7.366 1.00 0.00 C ATOM 453 CD GLU A 27 -1.089 1.900 -8.443 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.270 2.203 -9.334 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.249 2.359 -8.395 1.00 0.00 O ATOM 0 H GLU A 27 1.603 2.452 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.097 0.192 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.488 2.451 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.452 1.280 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.461 -0.048 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.470 0.787 -6.655 1.00 0.00 H new ATOM 462 N LEU A 28 3.127 -0.172 -5.393 1.00 0.00 N ATOM 463 CA LEU A 28 4.194 -1.145 -5.567 1.00 0.00 C ATOM 464 C LEU A 28 4.109 -2.207 -4.474 1.00 0.00 C ATOM 465 O LEU A 28 4.172 -3.404 -4.752 1.00 0.00 O ATOM 466 CB LEU A 28 5.553 -0.421 -5.549 1.00 0.00 C ATOM 467 CG LEU A 28 6.781 -1.267 -5.189 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.033 -0.682 -5.821 1.00 0.00 C ATOM 469 CD2 LEU A 28 6.940 -1.352 -3.679 1.00 0.00 C ATOM 0 H LEU A 28 3.448 0.762 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 28 4.088 -1.648 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.718 0.016 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.489 0.405 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 28 6.635 -2.274 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.895 -1.294 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.920 -0.666 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.184 0.334 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.815 -1.955 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.067 -0.350 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.052 -1.812 -3.245 1.00 0.00 H new ATOM 481 N ILE A 29 3.947 -1.761 -3.233 1.00 0.00 N ATOM 482 CA ILE A 29 3.833 -2.678 -2.112 1.00 0.00 C ATOM 483 C ILE A 29 2.516 -3.441 -2.194 1.00 0.00 C ATOM 484 O ILE A 29 2.431 -4.600 -1.792 1.00 0.00 O ATOM 485 CB ILE A 29 3.911 -1.938 -0.760 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.164 -1.061 -0.701 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.907 -2.931 0.390 1.00 0.00 C ATOM 488 CD1 ILE A 29 4.978 0.201 0.112 1.00 0.00 C ATOM 0 H ILE A 29 3.892 -0.774 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 29 4.671 -3.373 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 29 3.034 -1.297 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.984 -1.640 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.457 -0.791 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.963 -2.392 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.989 -3.519 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.766 -3.596 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.905 0.774 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.180 0.801 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.715 -0.062 1.137 1.00 0.00 H new ATOM 500 N GLU A 30 1.495 -2.783 -2.734 1.00 0.00 N ATOM 501 CA GLU A 30 0.184 -3.398 -2.887 1.00 0.00 C ATOM 502 C GLU A 30 0.189 -4.370 -4.063 1.00 0.00 C ATOM 503 O GLU A 30 -0.509 -5.382 -4.048 1.00 0.00 O ATOM 504 CB GLU A 30 -0.885 -2.324 -3.100 1.00 0.00 C ATOM 505 CG GLU A 30 -2.278 -2.756 -2.673 1.00 0.00 C ATOM 506 CD GLU A 30 -3.368 -1.896 -3.284 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.190 -1.438 -4.432 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.399 -1.679 -2.614 1.00 0.00 O ATOM 0 H GLU A 30 1.552 -1.823 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.048 -3.949 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.605 -1.430 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.907 -2.049 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.436 -3.795 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.351 -2.711 -1.586 1.00 0.00 H new ATOM 515 N ASN A 31 0.988 -4.050 -5.078 1.00 0.00 N ATOM 516 CA ASN A 31 1.096 -4.889 -6.264 1.00 0.00 C ATOM 517 C ASN A 31 1.760 -6.219 -5.930 1.00 0.00 C ATOM 518 O ASN A 31 1.408 -7.258 -6.489 1.00 0.00 O ATOM 519 CB ASN A 31 1.888 -4.160 -7.352 1.00 0.00 C ATOM 520 CG ASN A 31 1.015 -3.246 -8.190 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.212 -3.342 -8.160 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.645 -2.352 -8.943 1.00 0.00 N ATOM 0 H ASN A 31 1.571 -3.213 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 31 0.091 -5.094 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.682 -3.575 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.369 -4.893 -8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.110 -1.710 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.664 -2.308 -8.937 1.00 0.00 H new ATOM 529 N GLU A 32 2.708 -6.181 -5.002 1.00 0.00 N ATOM 530 CA GLU A 32 3.406 -7.387 -4.580 1.00 0.00 C ATOM 531 C GLU A 32 2.510 -8.188 -3.649 1.00 0.00 C ATOM 532 O GLU A 32 2.350 -9.398 -3.804 1.00 0.00 O ATOM 533 CB GLU A 32 4.718 -7.033 -3.875 1.00 0.00 C ATOM 534 CG GLU A 32 5.671 -8.210 -3.737 1.00 0.00 C ATOM 535 CD GLU A 32 7.126 -7.796 -3.829 1.00 0.00 C ATOM 536 OE1 GLU A 32 7.474 -6.727 -3.284 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.917 -8.540 -4.445 1.00 0.00 O ATOM 0 H GLU A 32 3.010 -5.330 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 32 3.644 -7.985 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.215 -6.237 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.494 -6.640 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.497 -8.703 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.455 -8.941 -4.516 1.00 0.00 H new ATOM 544 N ILE A 33 1.904 -7.486 -2.699 1.00 0.00 N ATOM 545 CA ILE A 33 0.991 -8.098 -1.747 1.00 0.00 C ATOM 546 C ILE A 33 -0.198 -8.708 -2.492 1.00 0.00 C ATOM 547 O ILE A 33 -0.756 -9.721 -2.069 1.00 0.00 O ATOM 548 CB ILE A 33 0.505 -7.045 -0.714 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.676 -6.583 0.152 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.618 -7.579 0.173 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.389 -5.318 0.930 1.00 0.00 C ATOM 0 H ILE A 33 2.032 -6.482 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 33 1.513 -8.889 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 33 0.105 -6.201 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.937 -7.378 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.546 -6.419 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.923 -6.806 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.469 -7.861 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.264 -8.452 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.264 -5.049 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.157 -4.509 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.539 -5.483 1.592 1.00 0.00 H new ATOM 563 N LYS A 34 -0.572 -8.087 -3.607 1.00 0.00 N ATOM 564 CA LYS A 34 -1.684 -8.570 -4.413 1.00 0.00 C ATOM 565 C LYS A 34 -1.298 -9.856 -5.138 1.00 0.00 C ATOM 566 O LYS A 34 -2.023 -10.850 -5.089 1.00 0.00 O ATOM 567 CB LYS A 34 -2.101 -7.496 -5.420 1.00 0.00 C ATOM 568 CG LYS A 34 -3.288 -6.667 -4.963 1.00 0.00 C ATOM 569 CD LYS A 34 -3.583 -5.533 -5.930 1.00 0.00 C ATOM 570 CE LYS A 34 -4.041 -4.281 -5.199 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.123 -3.571 -5.937 1.00 0.00 N ATOM 0 H LYS A 34 -0.120 -7.248 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.527 -8.786 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.255 -6.834 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.345 -7.974 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.166 -7.307 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.088 -6.259 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.689 -5.309 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.353 -5.846 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.397 -4.551 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.193 -3.609 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.407 -2.723 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.776 -3.291 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.942 -4.203 -6.045 1.00 0.00 H new ATOM 585 N ARG A 35 -0.146 -9.832 -5.798 1.00 0.00 N ATOM 586 CA ARG A 35 0.344 -11.000 -6.521 1.00 0.00 C ATOM 587 C ARG A 35 0.788 -12.092 -5.544 1.00 0.00 C ATOM 588 O ARG A 35 0.810 -13.274 -5.889 1.00 0.00 O ATOM 589 CB ARG A 35 1.504 -10.604 -7.443 1.00 0.00 C ATOM 590 CG ARG A 35 1.241 -10.906 -8.911 1.00 0.00 C ATOM 591 CD ARG A 35 1.942 -12.181 -9.355 1.00 0.00 C ATOM 592 NE ARG A 35 1.437 -12.663 -10.639 1.00 0.00 N ATOM 593 CZ ARG A 35 1.686 -12.073 -11.810 1.00 0.00 C ATOM 594 NH1 ARG A 35 2.435 -10.976 -11.869 1.00 0.00 N ATOM 595 NH2 ARG A 35 1.184 -12.582 -12.926 1.00 0.00 N ATOM 0 H ARG A 35 0.466 -9.017 -5.848 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.469 -11.396 -7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.701 -9.538 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.405 -11.130 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.168 -11.004 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.583 -10.071 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.014 -11.998 -9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.804 -12.953 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 35 0.858 -13.503 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.825 -10.578 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.620 -10.532 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.608 -13.423 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.373 -12.132 -13.822 1.00 0.00 H new ATOM 609 N ARG A 36 1.140 -11.686 -4.324 1.00 0.00 N ATOM 610 CA ARG A 36 1.582 -12.624 -3.299 1.00 0.00 C ATOM 611 C ARG A 36 0.405 -13.277 -2.567 1.00 0.00 C ATOM 612 O ARG A 36 0.608 -14.002 -1.593 1.00 0.00 O ATOM 613 CB ARG A 36 2.478 -11.900 -2.290 1.00 0.00 C ATOM 614 CG ARG A 36 3.940 -11.828 -2.714 1.00 0.00 C ATOM 615 CD ARG A 36 4.867 -12.505 -1.712 1.00 0.00 C ATOM 616 NE ARG A 36 5.646 -13.580 -2.327 1.00 0.00 N ATOM 617 CZ ARG A 36 5.136 -14.755 -2.697 1.00 0.00 C ATOM 618 NH1 ARG A 36 3.846 -15.021 -2.518 1.00 0.00 N ATOM 619 NH2 ARG A 36 5.921 -15.670 -3.248 1.00 0.00 N ATOM 0 H ARG A 36 1.127 -10.711 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 36 2.141 -13.416 -3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.101 -10.888 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.412 -12.408 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.057 -12.300 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.232 -10.784 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.544 -11.764 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.278 -12.909 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 36 6.641 -13.421 -2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.235 -14.323 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.467 -15.923 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.912 -15.474 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.534 -16.570 -3.532 1.00 0.00 H new ATOM 633 N SER A 37 -0.825 -13.016 -3.019 1.00 0.00 N ATOM 634 CA SER A 37 -2.003 -13.587 -2.372 1.00 0.00 C ATOM 635 C SER A 37 -2.100 -13.104 -0.930 1.00 0.00 C ATOM 636 O SER A 37 -2.566 -13.823 -0.046 1.00 0.00 O ATOM 637 CB SER A 37 -1.949 -15.117 -2.411 1.00 0.00 C ATOM 638 OG SER A 37 -3.150 -15.683 -1.919 1.00 0.00 O ATOM 0 H SER A 37 -1.027 -12.420 -3.821 1.00 0.00 H new ATOM 0 HA SER A 37 -2.888 -13.256 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.778 -15.452 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.107 -15.469 -1.816 1.00 0.00 H new ATOM 0 HG SER A 37 -3.388 -15.257 -1.069 1.00 0.00 H new ATOM 644 N LEU A 38 -1.646 -11.876 -0.706 1.00 0.00 N ATOM 645 CA LEU A 38 -1.663 -11.268 0.618 1.00 0.00 C ATOM 646 C LEU A 38 -2.486 -9.975 0.618 1.00 0.00 C ATOM 647 O LEU A 38 -2.379 -9.165 1.536 1.00 0.00 O ATOM 648 CB LEU A 38 -0.222 -10.992 1.057 1.00 0.00 C ATOM 649 CG LEU A 38 -0.037 -10.589 2.523 1.00 0.00 C ATOM 650 CD1 LEU A 38 0.313 -11.803 3.370 1.00 0.00 C ATOM 651 CD2 LEU A 38 1.043 -9.521 2.650 1.00 0.00 C ATOM 0 H LEU A 38 -1.257 -11.277 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.133 -11.954 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.373 -11.886 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.184 -10.200 0.428 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.977 -10.175 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.441 -11.498 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.490 -12.537 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.240 -12.246 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.161 -9.246 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.987 -9.911 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.754 -8.641 2.075 1.00 0.00 H new ATOM 663 N GLY A 39 -3.322 -9.789 -0.409 1.00 0.00 N ATOM 664 CA GLY A 39 -4.148 -8.595 -0.483 1.00 0.00 C ATOM 665 C GLY A 39 -5.271 -8.590 0.544 1.00 0.00 C ATOM 666 O GLY A 39 -5.966 -7.588 0.699 1.00 0.00 O ATOM 0 H GLY A 39 -3.439 -10.441 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.522 -7.716 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.576 -8.516 -1.483 1.00 0.00 H new ATOM 670 N HIS A 40 -5.452 -9.702 1.255 1.00 0.00 N ATOM 671 CA HIS A 40 -6.491 -9.790 2.271 1.00 0.00 C ATOM 672 C HIS A 40 -6.016 -9.143 3.570 1.00 0.00 C ATOM 673 O HIS A 40 -6.817 -8.620 4.346 1.00 0.00 O ATOM 674 CB HIS A 40 -6.868 -11.252 2.522 1.00 0.00 C ATOM 675 CG HIS A 40 -5.690 -12.136 2.787 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.356 -13.207 1.985 1.00 0.00 N ATOM 677 CD2 HIS A 40 -4.763 -12.105 3.775 1.00 0.00 C ATOM 678 CE1 HIS A 40 -4.275 -13.796 2.467 1.00 0.00 C ATOM 679 NE2 HIS A 40 -3.896 -13.146 3.552 1.00 0.00 N ATOM 0 H HIS A 40 -4.894 -10.549 1.145 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.372 -9.257 1.913 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.548 -11.303 3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.410 -11.633 1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.715 -11.394 4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.785 -14.661 2.045 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.089 -13.380 4.131 1.00 0.00 H new ATOM 688 N ILE A 41 -4.704 -9.181 3.796 1.00 0.00 N ATOM 689 CA ILE A 41 -4.111 -8.600 4.992 1.00 0.00 C ATOM 690 C ILE A 41 -4.261 -7.074 4.964 1.00 0.00 C ATOM 691 O ILE A 41 -4.469 -6.431 5.992 1.00 0.00 O ATOM 692 CB ILE A 41 -2.611 -9.010 5.106 1.00 0.00 C ATOM 693 CG1 ILE A 41 -2.164 -9.028 6.566 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.696 -8.106 4.279 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.972 -9.981 7.417 1.00 0.00 C ATOM 0 H ILE A 41 -4.031 -9.611 3.161 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.634 -8.981 5.869 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.526 -10.017 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.112 -9.308 6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.246 -8.022 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.662 -8.433 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.982 -8.163 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.791 -7.077 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.608 -9.950 8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.022 -9.688 7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.870 -10.993 7.026 1.00 0.00 H new ATOM 707 N ILE A 42 -4.144 -6.521 3.760 1.00 0.00 N ATOM 708 CA ILE A 42 -4.254 -5.081 3.542 1.00 0.00 C ATOM 709 C ILE A 42 -5.713 -4.645 3.448 1.00 0.00 C ATOM 710 O ILE A 42 -6.598 -5.457 3.179 1.00 0.00 O ATOM 711 CB ILE A 42 -3.538 -4.648 2.241 1.00 0.00 C ATOM 712 CG1 ILE A 42 -3.956 -5.539 1.079 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.034 -4.694 2.402 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.557 -4.995 -0.276 1.00 0.00 C ATOM 0 H ILE A 42 -3.971 -7.057 2.909 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.779 -4.603 4.399 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.832 -3.620 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.511 -6.526 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.038 -5.671 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.559 -4.384 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.733 -4.020 3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.725 -5.710 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.887 -5.682 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.023 -4.022 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.473 -4.889 -0.321 1.00 0.00 H new ATOM 726 N SER A 43 -5.951 -3.353 3.648 1.00 0.00 N ATOM 727 CA SER A 43 -7.296 -2.802 3.560 1.00 0.00 C ATOM 728 C SER A 43 -7.521 -2.219 2.169 1.00 0.00 C ATOM 729 O SER A 43 -7.510 -1.002 1.981 1.00 0.00 O ATOM 730 CB SER A 43 -7.507 -1.724 4.626 1.00 0.00 C ATOM 731 OG SER A 43 -8.755 -1.075 4.457 1.00 0.00 O ATOM 0 H SER A 43 -5.229 -2.669 3.872 1.00 0.00 H new ATOM 0 HA SER A 43 -8.016 -3.601 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.460 -2.175 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.702 -0.991 4.570 1.00 0.00 H new ATOM 0 HG SER A 43 -8.865 -0.392 5.151 1.00 0.00 H new ATOM 737 N VAL A 44 -7.696 -3.104 1.194 1.00 0.00 N ATOM 738 CA VAL A 44 -7.893 -2.690 -0.195 1.00 0.00 C ATOM 739 C VAL A 44 -9.322 -2.211 -0.424 1.00 0.00 C ATOM 740 O VAL A 44 -10.272 -2.780 0.113 1.00 0.00 O ATOM 741 CB VAL A 44 -7.584 -3.835 -1.196 1.00 0.00 C ATOM 742 CG1 VAL A 44 -7.153 -3.265 -2.534 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.517 -4.776 -0.661 1.00 0.00 C ATOM 0 H VAL A 44 -7.706 -4.114 1.337 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.195 -1.872 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.500 -4.410 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.940 -4.080 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.952 -2.645 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.257 -2.659 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.328 -5.564 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.597 -4.219 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.859 -5.221 0.274 1.00 0.00 H new ATOM 753 N SER A 45 -9.467 -1.160 -1.224 1.00 0.00 N ATOM 754 CA SER A 45 -10.781 -0.605 -1.524 1.00 0.00 C ATOM 755 C SER A 45 -11.278 -1.089 -2.883 1.00 0.00 C ATOM 756 O SER A 45 -11.011 -0.465 -3.911 1.00 0.00 O ATOM 757 CB SER A 45 -10.729 0.924 -1.503 1.00 0.00 C ATOM 758 OG SER A 45 -11.907 1.483 -2.059 1.00 0.00 O ATOM 0 H SER A 45 -8.691 -0.676 -1.676 1.00 0.00 H new ATOM 0 HA SER A 45 -11.477 -0.949 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.606 1.273 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.860 1.269 -2.063 1.00 0.00 H new ATOM 0 HG SER A 45 -11.849 2.461 -2.032 1.00 0.00 H new ATOM 764 N SER A 46 -12.001 -2.204 -2.880 1.00 0.00 N ATOM 765 CA SER A 46 -12.535 -2.771 -4.112 1.00 0.00 C ATOM 766 C SER A 46 -13.562 -1.836 -4.741 1.00 0.00 C ATOM 767 O SER A 46 -13.193 -1.098 -5.679 1.00 0.00 O ATOM 768 CB SER A 46 -13.170 -4.135 -3.837 1.00 0.00 C ATOM 769 OG SER A 46 -12.302 -4.960 -3.078 1.00 0.00 O ATOM 770 OXT SER A 46 -14.729 -1.851 -4.292 1.00 0.00 O ATOM 0 H SER A 46 -12.230 -2.732 -2.038 1.00 0.00 H new ATOM 0 HA SER A 46 -11.709 -2.897 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.109 -4.000 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.409 -4.625 -4.781 1.00 0.00 H new ATOM 0 HG SER A 46 -12.733 -5.825 -2.915 1.00 0.00 H new TER 776 SER A 46