USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 862 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 2 LYS NZ :NH3+ 162:sc= 0.00959 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -22:sc= 0.213 USER MOD Single : A 15 SER OG : rot 180:sc= 0.014 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 168:sc= -0.864 USER MOD Single : A 27 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.044) USER MOD Single : A 30 THR OG1 : rot 21:sc= 0.384 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.000784 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.0011 (180deg=-0.0919) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 1.17 (180deg=1.08) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -149:sc= -0.166 (180deg=-1.02) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.75) USER MOD Single : A 71 SER OG : rot 46:sc= 0.0463 USER MOD Single : A 74 SER OG : rot 138:sc= -0.0965 USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.265 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -1.26 (180deg=-1.62) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 82:sc= 1.13 USER MOD Single : A 114 LYS NZ :NH3+ 135:sc= -0.78 (180deg=-2.26!) USER MOD Single : A 115 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 0.020 2.010 13.498 1.00 0.00 N ATOM 21 CA LYS A 2 -0.506 0.726 13.044 1.00 0.00 C ATOM 22 C LYS A 2 -1.566 0.918 11.962 1.00 0.00 C ATOM 23 O LYS A 2 -1.863 2.042 11.563 1.00 0.00 O ATOM 24 CB LYS A 2 -1.090 -0.057 14.222 1.00 0.00 C ATOM 25 CG LYS A 2 -0.092 -0.313 15.338 1.00 0.00 C ATOM 26 CD LYS A 2 1.015 -1.256 14.893 1.00 0.00 C ATOM 27 CE LYS A 2 2.341 -0.907 15.550 1.00 0.00 C ATOM 28 NZ LYS A 2 3.260 -2.077 15.600 1.00 0.00 N ATOM 0 HA LYS A 2 0.319 0.157 12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.941 0.492 14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.470 -1.012 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.343 0.632 15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.609 -0.738 16.199 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.743 -2.282 15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.121 -1.209 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.816 -0.095 15.000 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.161 -0.543 16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.233 -1.748 15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.974 -2.710 16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.216 -2.592 14.698 1.00 0.00 H new ATOM 42 N ARG A 3 -2.127 -0.193 11.489 1.00 0.00 N ATOM 43 CA ARG A 3 -3.150 -0.172 10.450 1.00 0.00 C ATOM 44 C ARG A 3 -2.541 0.146 9.088 1.00 0.00 C ATOM 45 O ARG A 3 -2.046 1.250 8.860 1.00 0.00 O ATOM 46 CB ARG A 3 -4.241 0.843 10.780 1.00 0.00 C ATOM 47 CG ARG A 3 -4.808 0.693 12.181 1.00 0.00 C ATOM 48 CD ARG A 3 -4.202 1.707 13.133 1.00 0.00 C ATOM 49 NE ARG A 3 -5.188 2.229 14.078 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.091 3.412 14.680 1.00 0.00 C ATOM 51 NH1 ARG A 3 -4.050 4.203 14.448 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.039 3.807 15.518 1.00 0.00 N ATOM 0 H ARG A 3 -1.885 -1.129 11.815 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.596 -1.166 10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.836 1.849 10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.050 0.742 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.890 0.819 12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.614 -0.315 12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.383 1.244 13.683 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.776 2.531 12.561 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.001 1.650 14.289 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.317 3.906 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.983 5.108 14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.842 3.205 15.701 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.966 4.713 15.980 1.00 0.00 H new ATOM 66 N VAL A 4 -2.587 -0.827 8.186 1.00 0.00 N ATOM 67 CA VAL A 4 -2.049 -0.654 6.843 1.00 0.00 C ATOM 68 C VAL A 4 -3.151 -0.823 5.800 1.00 0.00 C ATOM 69 O VAL A 4 -4.187 -1.425 6.077 1.00 0.00 O ATOM 70 CB VAL A 4 -0.909 -1.656 6.558 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.294 -1.396 5.191 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.155 -1.584 7.646 1.00 0.00 C ATOM 0 H VAL A 4 -2.993 -1.746 8.361 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.643 0.356 6.781 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.331 -2.661 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.507 -2.113 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.058 -1.504 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.111 -0.384 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.949 -2.298 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.572 -0.577 7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.293 -1.825 8.610 1.00 0.00 H new ATOM 82 N LEU A 5 -2.935 -0.281 4.607 1.00 0.00 N ATOM 83 CA LEU A 5 -3.929 -0.372 3.542 1.00 0.00 C ATOM 84 C LEU A 5 -3.435 -1.245 2.393 1.00 0.00 C ATOM 85 O LEU A 5 -2.345 -1.034 1.865 1.00 0.00 O ATOM 86 CB LEU A 5 -4.275 1.021 3.018 1.00 0.00 C ATOM 87 CG LEU A 5 -5.362 1.056 1.941 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.671 0.511 2.488 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.548 2.472 1.418 1.00 0.00 C ATOM 0 H LEU A 5 -2.086 0.224 4.353 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.823 -0.833 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.596 1.639 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.370 1.476 2.615 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.047 0.423 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.433 0.543 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.528 -0.519 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.992 1.118 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.325 2.478 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.841 3.127 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.612 2.827 0.987 1.00 0.00 H new ATOM 101 N VAL A 6 -4.250 -2.223 2.006 1.00 0.00 N ATOM 102 CA VAL A 6 -3.895 -3.122 0.912 1.00 0.00 C ATOM 103 C VAL A 6 -4.832 -2.942 -0.281 1.00 0.00 C ATOM 104 O VAL A 6 -5.877 -3.586 -0.362 1.00 0.00 O ATOM 105 CB VAL A 6 -3.933 -4.597 1.355 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.396 -5.501 0.256 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.148 -4.789 2.642 1.00 0.00 C ATOM 0 H VAL A 6 -5.157 -2.413 2.432 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.878 -2.864 0.617 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.971 -4.872 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.431 -6.538 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.006 -5.386 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.365 -5.227 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.187 -5.837 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.111 -4.495 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.583 -4.173 3.429 1.00 0.00 H new ATOM 117 N VAL A 7 -4.447 -2.071 -1.210 1.00 0.00 N ATOM 118 CA VAL A 7 -5.251 -1.819 -2.402 1.00 0.00 C ATOM 119 C VAL A 7 -4.937 -2.847 -3.485 1.00 0.00 C ATOM 120 O VAL A 7 -3.807 -2.926 -3.967 1.00 0.00 O ATOM 121 CB VAL A 7 -5.006 -0.402 -2.961 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.954 -0.103 -4.112 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.149 0.638 -1.860 1.00 0.00 C ATOM 0 H VAL A 7 -3.585 -1.529 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.298 -1.901 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.987 -0.358 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.762 0.901 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.796 -0.827 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.984 -0.168 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.973 1.631 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.155 0.591 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.421 0.438 -1.073 1.00 0.00 H new ATOM 133 N ASP A 8 -5.937 -3.642 -3.858 1.00 0.00 N ATOM 134 CA ASP A 8 -5.752 -4.668 -4.877 1.00 0.00 C ATOM 135 C ASP A 8 -7.080 -5.031 -5.531 1.00 0.00 C ATOM 136 O ASP A 8 -8.127 -5.002 -4.885 1.00 0.00 O ATOM 137 CB ASP A 8 -5.112 -5.914 -4.257 1.00 0.00 C ATOM 138 CG ASP A 8 -4.884 -7.018 -5.272 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.839 -6.712 -6.481 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.752 -8.188 -4.856 1.00 0.00 O ATOM 0 H ASP A 8 -6.879 -3.595 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.090 -4.271 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.160 -5.641 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.752 -6.287 -3.457 1.00 0.00 H new ATOM 145 N ASP A 9 -7.031 -5.373 -6.815 1.00 0.00 N ATOM 146 CA ASP A 9 -8.239 -5.739 -7.548 1.00 0.00 C ATOM 147 C ASP A 9 -8.746 -7.113 -7.120 1.00 0.00 C ATOM 148 O ASP A 9 -9.747 -7.222 -6.413 1.00 0.00 O ATOM 149 CB ASP A 9 -7.971 -5.721 -9.052 1.00 0.00 C ATOM 150 CG ASP A 9 -9.202 -6.075 -9.865 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.173 -5.289 -9.845 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.195 -7.137 -10.522 1.00 0.00 O ATOM 0 H ASP A 9 -6.174 -5.404 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.011 -5.005 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.619 -4.731 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.171 -6.425 -9.284 1.00 0.00 H new ATOM 157 N GLU A 10 -8.052 -8.160 -7.554 1.00 0.00 N ATOM 158 CA GLU A 10 -8.437 -9.525 -7.217 1.00 0.00 C ATOM 159 C GLU A 10 -7.789 -9.972 -5.911 1.00 0.00 C ATOM 160 O GLU A 10 -6.940 -9.273 -5.357 1.00 0.00 O ATOM 161 CB GLU A 10 -8.048 -10.482 -8.345 1.00 0.00 C ATOM 162 CG GLU A 10 -8.914 -11.730 -8.412 1.00 0.00 C ATOM 163 CD GLU A 10 -8.155 -12.988 -8.037 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.973 -13.106 -8.421 1.00 0.00 O ATOM 165 OE2 GLU A 10 -8.745 -13.857 -7.359 1.00 0.00 O ATOM 0 H GLU A 10 -7.220 -8.089 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.519 -9.545 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.113 -9.954 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.007 -10.779 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.767 -11.612 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.312 -11.838 -9.421 1.00 0.00 H new ATOM 217 N THR A 14 -3.793 -10.166 -1.184 1.00 0.00 N ATOM 218 CA THR A 14 -4.638 -10.056 0.003 1.00 0.00 C ATOM 219 C THR A 14 -4.861 -11.418 0.661 1.00 0.00 C ATOM 220 O THR A 14 -4.947 -11.519 1.883 1.00 0.00 O ATOM 221 CB THR A 14 -5.985 -9.431 -0.364 1.00 0.00 C ATOM 222 OG1 THR A 14 -6.545 -10.073 -1.496 1.00 0.00 O ATOM 223 CG2 THR A 14 -5.894 -7.953 -0.673 1.00 0.00 C ATOM 0 HA THR A 14 -4.123 -9.415 0.718 1.00 0.00 H new ATOM 0 HB THR A 14 -6.614 -9.564 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.835 -10.517 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.884 -7.572 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.512 -7.422 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.220 -7.798 -1.516 1.00 0.00 H new ATOM 231 N SER A 15 -4.958 -12.460 -0.158 1.00 0.00 N ATOM 232 CA SER A 15 -5.176 -13.811 0.348 1.00 0.00 C ATOM 233 C SER A 15 -3.979 -14.302 1.156 1.00 0.00 C ATOM 234 O SER A 15 -4.135 -15.064 2.111 1.00 0.00 O ATOM 235 CB SER A 15 -5.449 -14.771 -0.812 1.00 0.00 C ATOM 236 OG SER A 15 -4.545 -14.550 -1.880 1.00 0.00 O ATOM 0 H SER A 15 -4.889 -12.395 -1.174 1.00 0.00 H new ATOM 0 HA SER A 15 -6.043 -13.784 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.362 -15.800 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.472 -14.639 -1.164 1.00 0.00 H new ATOM 0 HG SER A 15 -4.739 -15.177 -2.608 1.00 0.00 H new ATOM 242 N SER A 16 -2.783 -13.870 0.767 1.00 0.00 N ATOM 243 CA SER A 16 -1.563 -14.276 1.458 1.00 0.00 C ATOM 244 C SER A 16 -1.058 -13.171 2.381 1.00 0.00 C ATOM 245 O SER A 16 -0.934 -13.368 3.591 1.00 0.00 O ATOM 246 CB SER A 16 -0.478 -14.643 0.444 1.00 0.00 C ATOM 247 OG SER A 16 0.739 -14.968 1.094 1.00 0.00 O ATOM 0 H SER A 16 -2.632 -13.240 -0.021 1.00 0.00 H new ATOM 0 HA SER A 16 -1.797 -15.149 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.810 -15.489 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.317 -13.809 -0.239 1.00 0.00 H new ATOM 0 HG SER A 16 1.416 -15.201 0.424 1.00 0.00 H new ATOM 253 N LEU A 17 -0.763 -12.011 1.802 1.00 0.00 N ATOM 254 CA LEU A 17 -0.265 -10.871 2.565 1.00 0.00 C ATOM 255 C LEU A 17 -1.097 -10.635 3.821 1.00 0.00 C ATOM 256 O LEU A 17 -0.563 -10.619 4.928 1.00 0.00 O ATOM 257 CB LEU A 17 -0.263 -9.609 1.690 1.00 0.00 C ATOM 258 CG LEU A 17 -0.146 -8.277 2.442 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.508 -7.827 2.948 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.838 -8.402 3.597 1.00 0.00 C ATOM 0 H LEU A 17 -0.861 -11.835 0.802 1.00 0.00 H new ATOM 0 HA LEU A 17 0.755 -11.096 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.564 -9.680 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.182 -9.594 1.104 1.00 0.00 H new ATOM 0 HG LEU A 17 0.229 -7.523 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.404 -6.881 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.185 -7.697 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.912 -8.580 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.909 -7.448 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.491 -9.170 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.819 -8.678 3.211 1.00 0.00 H new ATOM 272 N SER A 18 -2.398 -10.436 3.646 1.00 0.00 N ATOM 273 CA SER A 18 -3.287 -10.186 4.778 1.00 0.00 C ATOM 274 C SER A 18 -2.946 -11.093 5.957 1.00 0.00 C ATOM 275 O SER A 18 -2.691 -10.620 7.061 1.00 0.00 O ATOM 276 CB SER A 18 -4.747 -10.383 4.367 1.00 0.00 C ATOM 277 OG SER A 18 -5.627 -9.854 5.343 1.00 0.00 O ATOM 0 H SER A 18 -2.861 -10.442 2.737 1.00 0.00 H new ATOM 0 HA SER A 18 -3.145 -9.152 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.927 -9.896 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.949 -11.445 4.228 1.00 0.00 H new ATOM 0 HG SER A 18 -6.554 -9.991 5.056 1.00 0.00 H new ATOM 283 N ALA A 19 -2.921 -12.399 5.716 1.00 0.00 N ATOM 284 CA ALA A 19 -2.587 -13.358 6.764 1.00 0.00 C ATOM 285 C ALA A 19 -1.287 -12.962 7.456 1.00 0.00 C ATOM 286 O ALA A 19 -1.131 -13.132 8.666 1.00 0.00 O ATOM 287 CB ALA A 19 -2.463 -14.752 6.175 1.00 0.00 C ATOM 0 H ALA A 19 -3.127 -12.817 4.809 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.387 -13.357 7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.214 -15.460 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.409 -15.039 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.677 -14.759 5.420 1.00 0.00 H new ATOM 293 N ILE A 20 -0.360 -12.434 6.668 1.00 0.00 N ATOM 294 CA ILE A 20 0.939 -12.002 7.171 1.00 0.00 C ATOM 295 C ILE A 20 0.833 -10.717 7.987 1.00 0.00 C ATOM 296 O ILE A 20 1.003 -10.726 9.206 1.00 0.00 O ATOM 297 CB ILE A 20 1.933 -11.761 6.015 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.241 -13.063 5.287 1.00 0.00 C ATOM 299 CG2 ILE A 20 3.211 -11.118 6.533 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.501 -12.865 3.810 1.00 0.00 C ATOM 0 H ILE A 20 -0.486 -12.293 5.666 1.00 0.00 H new ATOM 0 HA ILE A 20 1.301 -12.806 7.811 1.00 0.00 H new ATOM 0 HB ILE A 20 1.470 -11.077 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.112 -13.532 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.405 -13.751 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.899 -10.956 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.974 -10.162 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.677 -11.775 7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.714 -13.828 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.621 -12.423 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.355 -12.201 3.677 1.00 0.00 H new ATOM 312 N LEU A 21 0.563 -9.613 7.298 1.00 0.00 N ATOM 313 CA LEU A 21 0.448 -8.315 7.940 1.00 0.00 C ATOM 314 C LEU A 21 -0.543 -8.380 9.105 1.00 0.00 C ATOM 315 O LEU A 21 -0.413 -7.641 10.082 1.00 0.00 O ATOM 316 CB LEU A 21 0.080 -7.264 6.878 1.00 0.00 C ATOM 317 CG LEU A 21 -1.307 -6.677 6.969 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.331 -7.781 6.806 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.458 -5.944 8.287 1.00 0.00 C ATOM 0 H LEU A 21 0.419 -9.595 6.288 1.00 0.00 H new ATOM 0 HA LEU A 21 1.401 -8.017 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.801 -6.449 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.195 -7.718 5.894 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.471 -5.954 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.334 -7.359 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.200 -8.258 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.196 -8.521 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.460 -5.519 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.303 -6.641 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.720 -5.144 8.345 1.00 0.00 H new ATOM 331 N GLU A 22 -1.516 -9.280 9.012 1.00 0.00 N ATOM 332 CA GLU A 22 -2.497 -9.447 10.068 1.00 0.00 C ATOM 333 C GLU A 22 -1.923 -10.280 11.209 1.00 0.00 C ATOM 334 O GLU A 22 -2.375 -10.183 12.350 1.00 0.00 O ATOM 335 CB GLU A 22 -3.756 -10.108 9.520 1.00 0.00 C ATOM 336 CG GLU A 22 -4.996 -9.797 10.329 1.00 0.00 C ATOM 337 CD GLU A 22 -5.721 -11.043 10.801 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.052 -11.948 11.343 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.955 -11.115 10.627 1.00 0.00 O ATOM 0 H GLU A 22 -1.643 -9.903 8.215 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.755 -8.461 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.911 -9.782 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.609 -11.188 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.718 -9.195 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.675 -9.194 9.726 1.00 0.00 H new ATOM 346 N GLU A 23 -0.914 -11.094 10.899 1.00 0.00 N ATOM 347 CA GLU A 23 -0.274 -11.928 11.899 1.00 0.00 C ATOM 348 C GLU A 23 0.700 -11.097 12.726 1.00 0.00 C ATOM 349 O GLU A 23 0.806 -11.270 13.941 1.00 0.00 O ATOM 350 CB GLU A 23 0.455 -13.094 11.220 1.00 0.00 C ATOM 351 CG GLU A 23 1.425 -13.824 12.130 1.00 0.00 C ATOM 352 CD GLU A 23 1.317 -15.332 12.011 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.461 -15.850 10.883 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.089 -15.995 13.045 1.00 0.00 O ATOM 0 H GLU A 23 -0.527 -11.189 9.960 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.035 -12.335 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.283 -13.804 10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.998 -12.716 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.443 -13.517 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.238 -13.531 13.163 1.00 0.00 H new ATOM 361 N GLU A 24 1.405 -10.188 12.058 1.00 0.00 N ATOM 362 CA GLU A 24 2.366 -9.323 12.731 1.00 0.00 C ATOM 363 C GLU A 24 1.705 -8.550 13.869 1.00 0.00 C ATOM 364 O GLU A 24 2.264 -8.431 14.960 1.00 0.00 O ATOM 365 CB GLU A 24 2.993 -8.351 11.736 1.00 0.00 C ATOM 366 CG GLU A 24 4.491 -8.534 11.569 1.00 0.00 C ATOM 367 CD GLU A 24 5.264 -8.181 12.824 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.029 -7.086 13.378 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.106 -8.998 13.253 1.00 0.00 O ATOM 0 H GLU A 24 1.328 -10.032 11.053 1.00 0.00 H new ATOM 0 HA GLU A 24 3.148 -9.954 13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.510 -8.475 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.794 -7.330 12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.699 -9.569 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.840 -7.912 10.745 1.00 0.00 H new ATOM 376 N GLY A 25 0.515 -8.023 13.604 1.00 0.00 N ATOM 377 CA GLY A 25 -0.204 -7.265 14.605 1.00 0.00 C ATOM 378 C GLY A 25 -0.595 -5.886 14.112 1.00 0.00 C ATOM 379 O GLY A 25 -0.177 -4.875 14.677 1.00 0.00 O ATOM 0 H GLY A 25 0.035 -8.109 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.101 -7.812 14.897 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.414 -7.168 15.497 1.00 0.00 H new ATOM 383 N TYR A 26 -1.393 -5.846 13.051 1.00 0.00 N ATOM 384 CA TYR A 26 -1.837 -4.582 12.474 1.00 0.00 C ATOM 385 C TYR A 26 -3.343 -4.592 12.224 1.00 0.00 C ATOM 386 O TYR A 26 -4.047 -5.514 12.637 1.00 0.00 O ATOM 387 CB TYR A 26 -1.099 -4.320 11.160 1.00 0.00 C ATOM 388 CG TYR A 26 0.393 -4.139 11.319 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.908 -3.072 12.043 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.286 -5.030 10.739 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.271 -2.900 12.187 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.651 -4.865 10.878 1.00 0.00 C ATOM 393 CZ TYR A 26 3.138 -3.798 11.603 1.00 0.00 C ATOM 394 OH TYR A 26 4.495 -3.630 11.745 1.00 0.00 O ATOM 0 H TYR A 26 -1.746 -6.675 12.572 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.611 -3.787 13.185 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.283 -5.151 10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.515 -3.427 10.693 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.232 -2.365 12.501 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.908 -5.866 10.170 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.655 -2.066 12.755 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.332 -5.568 10.421 1.00 0.00 H new ATOM 0 HH TYR A 26 4.958 -4.440 11.444 1.00 0.00 H new ATOM 404 N HIS A 27 -3.826 -3.559 11.540 1.00 0.00 N ATOM 405 CA HIS A 27 -5.246 -3.440 11.224 1.00 0.00 C ATOM 406 C HIS A 27 -5.442 -3.088 9.752 1.00 0.00 C ATOM 407 O HIS A 27 -5.615 -1.921 9.400 1.00 0.00 O ATOM 408 CB HIS A 27 -5.895 -2.373 12.107 1.00 0.00 C ATOM 409 CG HIS A 27 -7.246 -2.763 12.623 1.00 0.00 C ATOM 410 ND1 HIS A 27 -8.278 -1.862 12.785 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.733 -3.965 13.012 1.00 0.00 C ATOM 412 CE1 HIS A 27 -9.340 -2.493 13.253 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.036 -3.769 13.399 1.00 0.00 N ATOM 0 H HIS A 27 -3.253 -2.790 11.193 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.723 -4.401 11.418 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.239 -2.164 12.952 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.986 -1.448 11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.197 -4.903 13.017 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.295 -2.041 13.478 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.667 -4.493 13.744 1.00 0.00 H new ATOM 422 N PRO A 28 -5.411 -4.099 8.868 1.00 0.00 N ATOM 423 CA PRO A 28 -5.578 -3.895 7.426 1.00 0.00 C ATOM 424 C PRO A 28 -6.967 -3.383 7.063 1.00 0.00 C ATOM 425 O PRO A 28 -7.963 -3.781 7.667 1.00 0.00 O ATOM 426 CB PRO A 28 -5.363 -5.290 6.825 1.00 0.00 C ATOM 427 CG PRO A 28 -4.718 -6.093 7.902 1.00 0.00 C ATOM 428 CD PRO A 28 -5.201 -5.514 9.200 1.00 0.00 C ATOM 0 HA PRO A 28 -4.884 -3.142 7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.309 -5.735 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.730 -5.242 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.990 -7.145 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.632 -6.038 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.121 -5.991 9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.467 -5.638 9.996 1.00 0.00 H new ATOM 436 N ASP A 29 -7.026 -2.507 6.066 1.00 0.00 N ATOM 437 CA ASP A 29 -8.305 -1.958 5.625 1.00 0.00 C ATOM 438 C ASP A 29 -8.624 -2.342 4.195 1.00 0.00 C ATOM 439 O ASP A 29 -9.746 -2.162 3.723 1.00 0.00 O ATOM 440 CB ASP A 29 -8.345 -0.442 5.799 1.00 0.00 C ATOM 441 CG ASP A 29 -9.763 0.091 5.866 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.370 0.298 4.795 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.265 0.303 6.991 1.00 0.00 O ATOM 0 H ASP A 29 -6.214 -2.164 5.552 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.075 -2.396 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.813 -0.169 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.820 0.031 4.969 1.00 0.00 H new ATOM 448 N THR A 30 -7.635 -2.894 3.533 1.00 0.00 N ATOM 449 CA THR A 30 -7.753 -3.352 2.149 1.00 0.00 C ATOM 450 C THR A 30 -8.504 -2.371 1.250 1.00 0.00 C ATOM 451 O THR A 30 -9.010 -1.342 1.695 1.00 0.00 O ATOM 452 CB THR A 30 -8.437 -4.717 2.107 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.682 -4.678 2.781 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.605 -5.815 2.735 1.00 0.00 C ATOM 0 H THR A 30 -6.710 -3.044 3.936 1.00 0.00 H new ATOM 0 HA THR A 30 -6.738 -3.425 1.758 1.00 0.00 H new ATOM 0 HB THR A 30 -8.573 -4.943 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.995 -3.751 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.145 -6.760 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.658 -5.903 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.413 -5.573 3.780 1.00 0.00 H new ATOM 462 N ALA A 31 -8.557 -2.718 -0.029 1.00 0.00 N ATOM 463 CA ALA A 31 -9.228 -1.913 -1.035 1.00 0.00 C ATOM 464 C ALA A 31 -9.425 -2.730 -2.307 1.00 0.00 C ATOM 465 O ALA A 31 -8.952 -3.863 -2.402 1.00 0.00 O ATOM 466 CB ALA A 31 -8.424 -0.659 -1.323 1.00 0.00 C ATOM 0 H ALA A 31 -8.133 -3.570 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.206 -1.614 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.937 -0.064 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.321 -0.075 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.436 -0.937 -1.689 1.00 0.00 H new ATOM 472 N LYS A 32 -10.121 -2.161 -3.282 1.00 0.00 N ATOM 473 CA LYS A 32 -10.367 -2.857 -4.539 1.00 0.00 C ATOM 474 C LYS A 32 -9.638 -2.182 -5.696 1.00 0.00 C ATOM 475 O LYS A 32 -9.303 -2.825 -6.691 1.00 0.00 O ATOM 476 CB LYS A 32 -11.868 -2.918 -4.833 1.00 0.00 C ATOM 477 CG LYS A 32 -12.718 -3.212 -3.608 1.00 0.00 C ATOM 478 CD LYS A 32 -14.201 -3.217 -3.945 1.00 0.00 C ATOM 479 CE LYS A 32 -14.724 -4.631 -4.146 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.621 -5.054 -3.035 1.00 0.00 N ATOM 0 H LYS A 32 -10.523 -1.225 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.982 -3.872 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.184 -1.968 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.051 -3.686 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.435 -4.179 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.521 -2.464 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.759 -2.733 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.371 -2.633 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.265 -4.687 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.884 -5.322 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.956 -6.023 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.098 -5.025 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.436 -4.410 -2.982 1.00 0.00 H new ATOM 494 N THR A 33 -9.393 -0.884 -5.559 1.00 0.00 N ATOM 495 CA THR A 33 -8.703 -0.124 -6.591 1.00 0.00 C ATOM 496 C THR A 33 -8.340 1.265 -6.082 1.00 0.00 C ATOM 497 O THR A 33 -8.603 1.600 -4.927 1.00 0.00 O ATOM 498 CB THR A 33 -9.575 -0.011 -7.843 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.949 -0.068 -7.504 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.306 -1.099 -8.860 1.00 0.00 C ATOM 0 H THR A 33 -9.663 -0.337 -4.742 1.00 0.00 H new ATOM 0 HA THR A 33 -7.785 -0.652 -6.847 1.00 0.00 H new ATOM 0 HB THR A 33 -9.318 0.950 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.490 0.007 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.958 -0.960 -9.723 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.265 -1.049 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.501 -2.073 -8.411 1.00 0.00 H new ATOM 508 N LEU A 34 -7.735 2.069 -6.946 1.00 0.00 N ATOM 509 CA LEU A 34 -7.340 3.421 -6.575 1.00 0.00 C ATOM 510 C LEU A 34 -8.558 4.248 -6.182 1.00 0.00 C ATOM 511 O LEU A 34 -8.509 5.028 -5.231 1.00 0.00 O ATOM 512 CB LEU A 34 -6.587 4.087 -7.727 1.00 0.00 C ATOM 513 CG LEU A 34 -5.281 3.395 -8.118 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.661 4.064 -9.335 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.310 3.398 -6.946 1.00 0.00 C ATOM 0 H LEU A 34 -7.508 1.809 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.676 3.363 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.240 4.121 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.368 5.119 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.502 2.360 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.733 3.556 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.354 4.007 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.451 5.109 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.385 2.902 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.094 4.426 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.755 2.868 -6.104 1.00 0.00 H new ATOM 527 N ARG A 35 -9.656 4.061 -6.907 1.00 0.00 N ATOM 528 CA ARG A 35 -10.888 4.781 -6.614 1.00 0.00 C ATOM 529 C ARG A 35 -11.386 4.409 -5.221 1.00 0.00 C ATOM 530 O ARG A 35 -11.673 5.278 -4.396 1.00 0.00 O ATOM 531 CB ARG A 35 -11.958 4.460 -7.662 1.00 0.00 C ATOM 532 CG ARG A 35 -12.300 5.636 -8.563 1.00 0.00 C ATOM 533 CD ARG A 35 -12.847 5.172 -9.903 1.00 0.00 C ATOM 534 NE ARG A 35 -14.303 5.289 -9.971 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.145 4.374 -9.494 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.684 3.274 -8.910 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.454 4.560 -9.600 1.00 0.00 N ATOM 0 H ARG A 35 -9.717 3.420 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.685 5.852 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.614 3.629 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.863 4.127 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.035 6.272 -8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.409 6.244 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.398 5.763 -10.702 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.558 4.135 -10.073 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.697 6.121 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.679 3.125 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.335 2.578 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.815 5.403 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.100 3.860 -9.235 1.00 0.00 H new ATOM 551 N GLU A 36 -11.468 3.108 -4.965 1.00 0.00 N ATOM 552 CA GLU A 36 -11.911 2.609 -3.671 1.00 0.00 C ATOM 553 C GLU A 36 -10.910 2.995 -2.588 1.00 0.00 C ATOM 554 O GLU A 36 -11.284 3.246 -1.441 1.00 0.00 O ATOM 555 CB GLU A 36 -12.077 1.088 -3.716 1.00 0.00 C ATOM 556 CG GLU A 36 -13.364 0.595 -3.079 1.00 0.00 C ATOM 557 CD GLU A 36 -13.541 1.094 -1.658 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.596 2.326 -1.464 1.00 0.00 O ATOM 559 OE2 GLU A 36 -13.625 0.252 -0.740 1.00 0.00 O ATOM 0 H GLU A 36 -11.233 2.379 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.876 3.059 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.047 0.759 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.231 0.624 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.211 0.920 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.371 -0.495 -3.081 1.00 0.00 H new ATOM 566 N ALA A 37 -9.635 3.044 -2.963 1.00 0.00 N ATOM 567 CA ALA A 37 -8.577 3.404 -2.030 1.00 0.00 C ATOM 568 C ALA A 37 -8.561 4.905 -1.770 1.00 0.00 C ATOM 569 O ALA A 37 -8.031 5.361 -0.758 1.00 0.00 O ATOM 570 CB ALA A 37 -7.226 2.941 -2.555 1.00 0.00 C ATOM 0 H ALA A 37 -9.311 2.838 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.776 2.901 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.446 3.218 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.236 1.858 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.027 3.415 -3.516 1.00 0.00 H new ATOM 576 N GLU A 38 -9.160 5.673 -2.675 1.00 0.00 N ATOM 577 CA GLU A 38 -9.221 7.118 -2.516 1.00 0.00 C ATOM 578 C GLU A 38 -10.295 7.481 -1.503 1.00 0.00 C ATOM 579 O GLU A 38 -10.118 8.385 -0.687 1.00 0.00 O ATOM 580 CB GLU A 38 -9.505 7.798 -3.853 1.00 0.00 C ATOM 581 CG GLU A 38 -8.263 8.015 -4.700 1.00 0.00 C ATOM 582 CD GLU A 38 -8.271 9.352 -5.415 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.227 9.613 -6.175 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.321 10.139 -5.214 1.00 0.00 O ATOM 0 H GLU A 38 -9.607 5.319 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.255 7.469 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.217 7.193 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.981 8.761 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.379 7.952 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.185 7.214 -5.435 1.00 0.00 H new ATOM 591 N LYS A 39 -11.402 6.748 -1.546 1.00 0.00 N ATOM 592 CA LYS A 39 -12.496 6.973 -0.616 1.00 0.00 C ATOM 593 C LYS A 39 -12.065 6.572 0.789 1.00 0.00 C ATOM 594 O LYS A 39 -12.396 7.239 1.769 1.00 0.00 O ATOM 595 CB LYS A 39 -13.731 6.173 -1.040 1.00 0.00 C ATOM 596 CG LYS A 39 -14.887 6.266 -0.057 1.00 0.00 C ATOM 597 CD LYS A 39 -14.825 5.161 0.983 1.00 0.00 C ATOM 598 CE LYS A 39 -16.158 4.986 1.692 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.168 4.324 0.821 1.00 0.00 N ATOM 0 H LYS A 39 -11.563 5.995 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.754 8.032 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.065 6.528 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.451 5.126 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.866 7.236 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.831 6.205 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.541 4.224 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.050 5.392 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.014 4.393 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.533 5.960 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.988 4.040 1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.476 4.987 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.747 3.482 0.379 1.00 0.00 H new ATOM 613 N LYS A 40 -11.314 5.476 0.874 1.00 0.00 N ATOM 614 CA LYS A 40 -10.823 4.982 2.153 1.00 0.00 C ATOM 615 C LYS A 40 -9.736 5.899 2.706 1.00 0.00 C ATOM 616 O LYS A 40 -9.648 6.110 3.913 1.00 0.00 O ATOM 617 CB LYS A 40 -10.282 3.560 2.001 1.00 0.00 C ATOM 618 CG LYS A 40 -11.311 2.568 1.483 1.00 0.00 C ATOM 619 CD LYS A 40 -12.013 1.847 2.622 1.00 0.00 C ATOM 620 CE LYS A 40 -12.127 0.355 2.353 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.472 -0.014 1.830 1.00 0.00 N ATOM 0 H LYS A 40 -11.033 4.915 0.070 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.656 4.970 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.430 3.575 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.912 3.216 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.048 3.091 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.822 1.839 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.464 2.009 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.008 2.269 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.364 0.056 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.932 -0.196 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.614 -1.039 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.204 0.491 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.538 0.249 0.826 1.00 0.00 H new ATOM 635 N ILE A 41 -8.913 6.443 1.816 1.00 0.00 N ATOM 636 CA ILE A 41 -7.836 7.339 2.222 1.00 0.00 C ATOM 637 C ILE A 41 -8.330 8.781 2.336 1.00 0.00 C ATOM 638 O ILE A 41 -7.677 9.621 2.955 1.00 0.00 O ATOM 639 CB ILE A 41 -6.660 7.285 1.228 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.119 5.858 1.117 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.554 8.242 1.650 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.375 5.591 -0.173 1.00 0.00 C ATOM 0 H ILE A 41 -8.971 6.280 0.811 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.493 7.000 3.199 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.025 7.595 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.453 5.665 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.949 5.156 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.733 8.188 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.944 9.259 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.191 7.965 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.020 4.560 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.044 5.752 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.524 6.268 -0.249 1.00 0.00 H new ATOM 654 N LYS A 42 -9.482 9.062 1.734 1.00 0.00 N ATOM 655 CA LYS A 42 -10.056 10.402 1.770 1.00 0.00 C ATOM 656 C LYS A 42 -10.297 10.868 3.205 1.00 0.00 C ATOM 657 O LYS A 42 -10.438 12.064 3.460 1.00 0.00 O ATOM 658 CB LYS A 42 -11.363 10.439 0.983 1.00 0.00 C ATOM 659 CG LYS A 42 -11.237 11.116 -0.372 1.00 0.00 C ATOM 660 CD LYS A 42 -12.575 11.170 -1.093 1.00 0.00 C ATOM 661 CE LYS A 42 -12.564 12.203 -2.208 1.00 0.00 C ATOM 662 NZ LYS A 42 -13.943 12.587 -2.622 1.00 0.00 N ATOM 0 H LYS A 42 -10.036 8.380 1.216 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.340 11.083 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.720 9.419 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.118 10.960 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.852 12.127 -0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.514 10.577 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.807 10.189 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.364 11.410 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.024 13.090 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.025 11.804 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.893 13.293 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.450 11.745 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.450 12.991 -1.809 1.00 0.00 H new ATOM 676 N GLU A 43 -10.343 9.923 4.140 1.00 0.00 N ATOM 677 CA GLU A 43 -10.569 10.253 5.542 1.00 0.00 C ATOM 678 C GLU A 43 -9.604 9.494 6.446 1.00 0.00 C ATOM 679 O GLU A 43 -8.901 10.092 7.261 1.00 0.00 O ATOM 680 CB GLU A 43 -12.012 9.936 5.935 1.00 0.00 C ATOM 681 CG GLU A 43 -13.046 10.665 5.093 1.00 0.00 C ATOM 682 CD GLU A 43 -14.429 10.638 5.715 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.569 11.089 6.871 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.372 10.165 5.046 1.00 0.00 O ATOM 0 H GLU A 43 -10.227 8.927 3.953 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.390 11.321 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.176 8.862 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.160 10.197 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.733 11.700 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.088 10.211 4.103 1.00 0.00 H new ATOM 691 N LEU A 44 -9.575 8.175 6.297 1.00 0.00 N ATOM 692 CA LEU A 44 -8.697 7.333 7.101 1.00 0.00 C ATOM 693 C LEU A 44 -7.237 7.734 6.920 1.00 0.00 C ATOM 694 O LEU A 44 -6.692 7.656 5.819 1.00 0.00 O ATOM 695 CB LEU A 44 -8.884 5.860 6.725 1.00 0.00 C ATOM 696 CG LEU A 44 -9.198 4.927 7.893 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.056 4.926 8.897 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.501 5.339 8.559 1.00 0.00 C ATOM 0 H LEU A 44 -10.150 7.665 5.626 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.964 7.472 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.690 5.787 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.977 5.509 6.234 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.312 3.913 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.297 4.256 9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.143 4.586 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.908 5.935 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.714 4.666 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.412 6.359 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.313 5.287 7.833 1.00 0.00 H new ATOM 710 N PHE A 45 -6.605 8.157 8.009 1.00 0.00 N ATOM 711 CA PHE A 45 -5.205 8.562 7.972 1.00 0.00 C ATOM 712 C PHE A 45 -4.300 7.340 7.856 1.00 0.00 C ATOM 713 O PHE A 45 -3.522 7.041 8.762 1.00 0.00 O ATOM 714 CB PHE A 45 -4.848 9.366 9.224 1.00 0.00 C ATOM 715 CG PHE A 45 -3.652 10.258 9.046 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.771 11.477 8.397 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.410 9.877 9.526 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.673 12.300 8.232 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.308 10.695 9.363 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.440 11.909 8.715 1.00 0.00 C ATOM 0 H PHE A 45 -7.040 8.228 8.929 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.053 9.193 7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.705 9.975 9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.657 8.676 10.046 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.733 11.787 8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.301 8.930 10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.779 13.248 7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.345 10.386 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.580 12.550 8.587 1.00 0.00 H new ATOM 730 N PHE A 46 -4.415 6.635 6.737 1.00 0.00 N ATOM 731 CA PHE A 46 -3.617 5.439 6.499 1.00 0.00 C ATOM 732 C PHE A 46 -2.123 5.740 6.599 1.00 0.00 C ATOM 733 O PHE A 46 -1.574 6.470 5.774 1.00 0.00 O ATOM 734 CB PHE A 46 -3.936 4.859 5.121 1.00 0.00 C ATOM 735 CG PHE A 46 -5.200 4.050 5.089 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.315 2.893 5.842 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.271 4.446 4.307 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.477 2.146 5.814 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.435 3.704 4.274 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.538 2.552 5.029 1.00 0.00 C ATOM 0 H PHE A 46 -5.055 6.872 5.979 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.871 4.709 7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.018 5.675 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.105 4.232 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.488 2.571 6.457 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.195 5.346 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.555 1.246 6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.263 4.024 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.447 1.970 5.005 1.00 0.00 H new ATOM 750 N PRO A 47 -1.439 5.175 7.611 1.00 0.00 N ATOM 751 CA PRO A 47 -0.002 5.386 7.804 1.00 0.00 C ATOM 752 C PRO A 47 0.830 4.635 6.771 1.00 0.00 C ATOM 753 O PRO A 47 1.944 5.042 6.441 1.00 0.00 O ATOM 754 CB PRO A 47 0.251 4.827 9.204 1.00 0.00 C ATOM 755 CG PRO A 47 -0.807 3.796 9.397 1.00 0.00 C ATOM 756 CD PRO A 47 -2.011 4.284 8.640 1.00 0.00 C ATOM 0 HA PRO A 47 0.279 6.433 7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.247 4.392 9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.185 5.609 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.479 2.826 9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.038 3.668 10.455 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.564 3.458 8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.704 4.817 9.291 1.00 0.00 H new ATOM 764 N VAL A 48 0.280 3.535 6.267 1.00 0.00 N ATOM 765 CA VAL A 48 0.964 2.721 5.273 1.00 0.00 C ATOM 766 C VAL A 48 0.002 2.227 4.198 1.00 0.00 C ATOM 767 O VAL A 48 -1.044 1.654 4.497 1.00 0.00 O ATOM 768 CB VAL A 48 1.643 1.512 5.930 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.661 0.884 4.991 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.291 1.936 7.232 1.00 0.00 C ATOM 0 H VAL A 48 -0.641 3.187 6.533 1.00 0.00 H new ATOM 0 HA VAL A 48 1.719 3.355 4.807 1.00 0.00 H new ATOM 0 HB VAL A 48 0.887 0.756 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.128 0.029 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.161 0.553 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.425 1.619 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.772 1.075 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.037 2.706 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.531 2.333 7.905 1.00 0.00 H new ATOM 780 N ILE A 49 0.371 2.458 2.946 1.00 0.00 N ATOM 781 CA ILE A 49 -0.443 2.041 1.813 1.00 0.00 C ATOM 782 C ILE A 49 0.257 0.942 1.023 1.00 0.00 C ATOM 783 O ILE A 49 1.484 0.919 0.924 1.00 0.00 O ATOM 784 CB ILE A 49 -0.746 3.220 0.867 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.092 4.479 1.668 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.880 2.861 -0.082 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.393 4.372 2.434 1.00 0.00 C ATOM 0 H ILE A 49 1.235 2.935 2.688 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.382 1.664 2.218 1.00 0.00 H new ATOM 0 HB ILE A 49 0.146 3.426 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.284 4.687 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.150 5.328 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.082 3.704 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.596 1.993 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.776 2.629 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.573 5.300 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.212 4.195 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.332 3.544 3.140 1.00 0.00 H new ATOM 799 N VAL A 50 -0.530 0.036 0.458 1.00 0.00 N ATOM 800 CA VAL A 50 0.011 -1.063 -0.327 1.00 0.00 C ATOM 801 C VAL A 50 -0.838 -1.304 -1.565 1.00 0.00 C ATOM 802 O VAL A 50 -1.882 -1.953 -1.504 1.00 0.00 O ATOM 803 CB VAL A 50 0.099 -2.359 0.502 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.579 -3.523 -0.355 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.018 -2.154 1.692 1.00 0.00 C ATOM 0 H VAL A 50 -1.547 0.042 0.530 1.00 0.00 H new ATOM 0 HA VAL A 50 1.019 -0.781 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.898 -2.604 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.632 -4.425 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.118 -3.681 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.567 -3.297 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.074 -3.075 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.014 -1.886 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.627 -1.353 2.320 1.00 0.00 H new ATOM 815 N LEU A 51 -0.381 -0.770 -2.687 1.00 0.00 N ATOM 816 CA LEU A 51 -1.093 -0.916 -3.948 1.00 0.00 C ATOM 817 C LEU A 51 -0.876 -2.303 -4.541 1.00 0.00 C ATOM 818 O LEU A 51 0.009 -3.043 -4.115 1.00 0.00 O ATOM 819 CB LEU A 51 -0.639 0.158 -4.941 1.00 0.00 C ATOM 820 CG LEU A 51 -1.478 0.263 -6.218 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.942 0.490 -5.878 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.957 1.380 -7.111 1.00 0.00 C ATOM 0 H LEU A 51 0.482 -0.230 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.158 -0.791 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.651 1.124 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.395 -0.042 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.394 -0.678 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.522 0.562 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.310 -0.344 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.045 1.415 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.566 1.439 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.009 2.328 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.078 1.174 -7.385 1.00 0.00 H new ATOM 834 N ASP A 52 -1.694 -2.641 -5.529 1.00 0.00 N ATOM 835 CA ASP A 52 -1.608 -3.933 -6.198 1.00 0.00 C ATOM 836 C ASP A 52 -2.201 -3.842 -7.600 1.00 0.00 C ATOM 837 O ASP A 52 -3.407 -4.000 -7.788 1.00 0.00 O ATOM 838 CB ASP A 52 -2.339 -5.005 -5.387 1.00 0.00 C ATOM 839 CG ASP A 52 -1.598 -6.327 -5.376 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.449 -6.359 -4.889 1.00 0.00 O ATOM 841 OD2 ASP A 52 -2.167 -7.331 -5.855 1.00 0.00 O ATOM 0 H ASP A 52 -2.430 -2.033 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.557 -4.212 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.469 -4.656 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.336 -5.154 -5.802 1.00 0.00 H new ATOM 846 N VAL A 53 -1.345 -3.573 -8.576 1.00 0.00 N ATOM 847 CA VAL A 53 -1.773 -3.443 -9.964 1.00 0.00 C ATOM 848 C VAL A 53 -2.039 -4.810 -10.601 1.00 0.00 C ATOM 849 O VAL A 53 -1.438 -5.161 -11.616 1.00 0.00 O ATOM 850 CB VAL A 53 -0.712 -2.673 -10.788 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.337 -1.379 -10.085 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.530 -3.526 -11.025 1.00 0.00 C ATOM 0 H VAL A 53 -0.344 -3.440 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.707 -2.881 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.147 -2.436 -11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.410 -0.848 -10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.224 -0.755 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.072 -1.605 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.256 -2.958 -11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.969 -3.803 -10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.253 -4.427 -11.572 1.00 0.00 H new ATOM 862 N TRP A 54 -2.947 -5.580 -10.005 1.00 0.00 N ATOM 863 CA TRP A 54 -3.275 -6.899 -10.534 1.00 0.00 C ATOM 864 C TRP A 54 -3.848 -6.786 -11.949 1.00 0.00 C ATOM 865 O TRP A 54 -3.102 -6.802 -12.928 1.00 0.00 O ATOM 866 CB TRP A 54 -4.256 -7.618 -9.600 1.00 0.00 C ATOM 867 CG TRP A 54 -4.689 -8.959 -10.108 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.965 -9.364 -10.372 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.842 -10.074 -10.412 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.965 -10.662 -10.823 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.674 -11.120 -10.856 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.463 -10.289 -10.354 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.170 -12.360 -11.238 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.964 -11.521 -10.733 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.816 -12.543 -11.171 1.00 0.00 C ATOM 0 H TRP A 54 -3.463 -5.316 -9.165 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.360 -7.489 -10.589 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.790 -7.741 -8.622 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.136 -6.991 -9.457 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.847 -8.753 -10.245 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.791 -11.197 -11.090 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.798 -9.506 -10.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.825 -13.150 -11.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.900 -11.699 -10.691 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.396 -13.494 -11.462 1.00 0.00 H new ATOM 886 N MET A 55 -5.169 -6.670 -12.054 1.00 0.00 N ATOM 887 CA MET A 55 -5.829 -6.554 -13.348 1.00 0.00 C ATOM 888 C MET A 55 -5.989 -5.091 -13.794 1.00 0.00 C ATOM 889 O MET A 55 -6.064 -4.819 -14.993 1.00 0.00 O ATOM 890 CB MET A 55 -7.200 -7.230 -13.299 1.00 0.00 C ATOM 891 CG MET A 55 -7.179 -8.681 -13.759 1.00 0.00 C ATOM 892 SD MET A 55 -8.296 -8.992 -15.140 1.00 0.00 S ATOM 893 CE MET A 55 -9.841 -8.380 -14.471 1.00 0.00 C ATOM 0 H MET A 55 -5.804 -6.654 -11.256 1.00 0.00 H new ATOM 0 HA MET A 55 -5.193 -7.053 -14.079 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.582 -7.186 -12.279 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.895 -6.669 -13.924 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.164 -8.950 -14.051 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.452 -9.326 -12.924 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.670 -8.949 -14.891 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.837 -8.491 -13.387 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.957 -7.327 -14.728 1.00 0.00 H new ATOM 903 N PRO A 56 -6.065 -4.125 -12.852 1.00 0.00 N ATOM 904 CA PRO A 56 -6.238 -2.711 -13.192 1.00 0.00 C ATOM 905 C PRO A 56 -4.920 -2.001 -13.477 1.00 0.00 C ATOM 906 O PRO A 56 -3.873 -2.634 -13.620 1.00 0.00 O ATOM 907 CB PRO A 56 -6.874 -2.150 -11.925 1.00 0.00 C ATOM 908 CG PRO A 56 -6.248 -2.940 -10.829 1.00 0.00 C ATOM 909 CD PRO A 56 -6.008 -4.320 -11.389 1.00 0.00 C ATOM 0 HA PRO A 56 -6.825 -2.575 -14.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.672 -1.085 -11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.957 -2.270 -11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.313 -2.483 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.901 -2.982 -9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.042 -4.716 -11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.766 -5.026 -11.050 1.00 0.00 H new ATOM 917 N ASP A 57 -4.986 -0.675 -13.552 1.00 0.00 N ATOM 918 CA ASP A 57 -3.810 0.143 -13.814 1.00 0.00 C ATOM 919 C ASP A 57 -3.927 1.487 -13.101 1.00 0.00 C ATOM 920 O ASP A 57 -2.993 1.934 -12.436 1.00 0.00 O ATOM 921 CB ASP A 57 -3.637 0.360 -15.318 1.00 0.00 C ATOM 922 CG ASP A 57 -2.396 1.166 -15.649 1.00 0.00 C ATOM 923 OD1 ASP A 57 -1.415 1.089 -14.878 1.00 0.00 O ATOM 924 OD2 ASP A 57 -2.405 1.874 -16.677 1.00 0.00 O ATOM 0 H ASP A 57 -5.848 -0.143 -13.434 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.934 -0.381 -13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.582 -0.607 -15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.515 0.873 -15.711 1.00 0.00 H new ATOM 929 N GLY A 58 -5.089 2.123 -13.243 1.00 0.00 N ATOM 930 CA GLY A 58 -5.324 3.409 -12.607 1.00 0.00 C ATOM 931 C GLY A 58 -4.180 4.382 -12.802 1.00 0.00 C ATOM 932 O GLY A 58 -3.255 4.121 -13.571 1.00 0.00 O ATOM 0 H GLY A 58 -5.874 1.769 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.238 3.846 -13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.486 3.256 -11.540 1.00 0.00 H new ATOM 936 N ASP A 59 -4.241 5.508 -12.100 1.00 0.00 N ATOM 937 CA ASP A 59 -3.201 6.524 -12.193 1.00 0.00 C ATOM 938 C ASP A 59 -2.141 6.308 -11.118 1.00 0.00 C ATOM 939 O ASP A 59 -1.757 7.241 -10.413 1.00 0.00 O ATOM 940 CB ASP A 59 -3.810 7.921 -12.058 1.00 0.00 C ATOM 941 CG ASP A 59 -4.502 8.376 -13.326 1.00 0.00 C ATOM 942 OD1 ASP A 59 -5.620 7.890 -13.599 1.00 0.00 O ATOM 943 OD2 ASP A 59 -3.929 9.219 -14.047 1.00 0.00 O ATOM 0 H ASP A 59 -5.001 5.740 -11.460 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.726 6.440 -13.170 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.526 7.924 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.026 8.633 -11.800 1.00 0.00 H new ATOM 948 N GLY A 60 -1.671 5.068 -10.997 1.00 0.00 N ATOM 949 CA GLY A 60 -0.660 4.746 -10.006 1.00 0.00 C ATOM 950 C GLY A 60 0.494 5.730 -10.015 1.00 0.00 C ATOM 951 O GLY A 60 1.066 6.037 -8.969 1.00 0.00 O ATOM 0 H GLY A 60 -1.974 4.280 -11.569 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.116 4.735 -9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.279 3.742 -10.193 1.00 0.00 H new ATOM 955 N VAL A 61 0.831 6.230 -11.199 1.00 0.00 N ATOM 956 CA VAL A 61 1.913 7.186 -11.345 1.00 0.00 C ATOM 957 C VAL A 61 1.589 8.482 -10.608 1.00 0.00 C ATOM 958 O VAL A 61 2.398 8.987 -9.831 1.00 0.00 O ATOM 959 CB VAL A 61 2.181 7.501 -12.827 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.504 8.224 -12.984 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.163 6.229 -13.663 1.00 0.00 C ATOM 0 H VAL A 61 0.366 5.985 -12.073 1.00 0.00 H new ATOM 0 HA VAL A 61 2.806 6.735 -10.912 1.00 0.00 H new ATOM 0 HB VAL A 61 1.385 8.154 -13.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.678 8.439 -14.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.477 9.158 -12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.309 7.595 -12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.355 6.477 -14.707 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.934 5.547 -13.304 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.187 5.751 -13.577 1.00 0.00 H new ATOM 971 N ASN A 62 0.396 9.013 -10.859 1.00 0.00 N ATOM 972 CA ASN A 62 -0.043 10.248 -10.220 1.00 0.00 C ATOM 973 C ASN A 62 -0.784 9.966 -8.910 1.00 0.00 C ATOM 974 O ASN A 62 -1.364 10.873 -8.312 1.00 0.00 O ATOM 975 CB ASN A 62 -0.945 11.041 -11.170 1.00 0.00 C ATOM 976 CG ASN A 62 -0.293 12.322 -11.652 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.748 13.421 -11.336 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.780 12.186 -12.423 1.00 0.00 N ATOM 0 H ASN A 62 -0.284 8.606 -11.501 1.00 0.00 H new ATOM 0 HA ASN A 62 0.844 10.838 -9.987 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.198 10.420 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.880 11.281 -10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.261 13.012 -12.778 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.123 11.255 -12.660 1.00 0.00 H new ATOM 985 N PHE A 63 -0.769 8.709 -8.468 1.00 0.00 N ATOM 986 CA PHE A 63 -1.448 8.329 -7.233 1.00 0.00 C ATOM 987 C PHE A 63 -0.564 8.585 -6.015 1.00 0.00 C ATOM 988 O PHE A 63 -1.035 9.071 -4.985 1.00 0.00 O ATOM 989 CB PHE A 63 -1.852 6.853 -7.279 1.00 0.00 C ATOM 990 CG PHE A 63 -2.682 6.427 -6.101 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.876 7.067 -5.813 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.265 5.394 -5.277 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.639 6.686 -4.727 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.024 5.007 -4.189 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.213 5.656 -3.913 1.00 0.00 C ATOM 0 H PHE A 63 -0.296 7.941 -8.945 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.343 8.944 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.411 6.665 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.953 6.239 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.215 7.874 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.336 4.885 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.568 7.194 -4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.689 4.199 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.807 5.358 -3.062 1.00 0.00 H new ATOM 1005 N ILE A 64 0.718 8.255 -6.139 1.00 0.00 N ATOM 1006 CA ILE A 64 1.674 8.447 -5.050 1.00 0.00 C ATOM 1007 C ILE A 64 1.524 9.828 -4.420 1.00 0.00 C ATOM 1008 O ILE A 64 1.775 10.007 -3.228 1.00 0.00 O ATOM 1009 CB ILE A 64 3.125 8.268 -5.541 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.287 6.911 -6.230 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.103 8.400 -4.381 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.345 7.004 -7.738 1.00 0.00 C ATOM 0 H ILE A 64 1.121 7.852 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 64 1.456 7.687 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 64 3.346 9.053 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.198 6.435 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.456 6.266 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.121 8.271 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.002 9.387 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.886 7.636 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.460 6.006 -8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.423 7.451 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.193 7.622 -8.032 1.00 0.00 H new ATOM 1024 N ASP A 65 1.108 10.799 -5.225 1.00 0.00 N ATOM 1025 CA ASP A 65 0.917 12.158 -4.739 1.00 0.00 C ATOM 1026 C ASP A 65 -0.320 12.241 -3.855 1.00 0.00 C ATOM 1027 O ASP A 65 -0.313 12.910 -2.823 1.00 0.00 O ATOM 1028 CB ASP A 65 0.794 13.134 -5.912 1.00 0.00 C ATOM 1029 CG ASP A 65 1.540 14.431 -5.666 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.757 14.478 -5.945 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.907 15.399 -5.195 1.00 0.00 O ATOM 0 H ASP A 65 0.897 10.670 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 65 1.788 12.434 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.180 12.662 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.259 13.352 -6.091 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.381 11.551 -4.262 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.624 11.539 -3.501 1.00 0.00 C ATOM 1038 C PHE A 66 -2.369 11.075 -2.070 1.00 0.00 C ATOM 1039 O PHE A 66 -2.887 11.654 -1.116 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.649 10.625 -4.181 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.892 10.390 -3.369 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.826 11.400 -3.200 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.126 9.160 -2.776 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.970 11.186 -2.455 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.266 8.941 -2.030 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.191 9.956 -1.869 1.00 0.00 C ATOM 0 H PHE A 66 -1.404 10.993 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.023 12.553 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.930 11.062 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.179 9.665 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.658 12.365 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.408 8.363 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.691 11.981 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.436 7.978 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.084 9.787 -1.286 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.559 10.030 -1.931 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.228 9.496 -0.615 1.00 0.00 C ATOM 1058 C ILE A 67 -0.505 10.549 0.222 1.00 0.00 C ATOM 1059 O ILE A 67 -0.813 10.740 1.398 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.354 8.225 -0.724 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.162 7.078 -1.335 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.187 7.821 0.643 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.232 7.119 -2.846 1.00 0.00 C ATOM 0 H ILE A 67 -1.121 9.538 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.164 9.226 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 67 0.492 8.446 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.721 6.130 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.175 7.104 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.799 6.925 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.794 8.631 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.645 7.618 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.821 6.275 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.701 8.050 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.225 7.061 -3.259 1.00 0.00 H new ATOM 1075 N LYS A 68 0.451 11.239 -0.395 1.00 0.00 N ATOM 1076 CA LYS A 68 1.204 12.278 0.297 1.00 0.00 C ATOM 1077 C LYS A 68 0.394 13.571 0.382 1.00 0.00 C ATOM 1078 O LYS A 68 0.728 14.473 1.150 1.00 0.00 O ATOM 1079 CB LYS A 68 2.531 12.539 -0.419 1.00 0.00 C ATOM 1080 CG LYS A 68 3.357 11.283 -0.646 1.00 0.00 C ATOM 1081 CD LYS A 68 4.755 11.417 -0.059 1.00 0.00 C ATOM 1082 CE LYS A 68 5.225 10.116 0.571 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.349 10.228 2.051 1.00 0.00 N ATOM 0 H LYS A 68 0.721 11.097 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 68 1.409 11.931 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.329 13.010 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.117 13.248 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.853 10.429 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.428 11.082 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.452 11.715 -0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.761 12.208 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.523 9.319 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.189 9.834 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.672 9.320 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.038 10.971 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.424 10.472 2.459 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.676 13.652 -0.409 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.534 14.829 -0.418 1.00 0.00 C ATOM 1099 C GLU A 69 -2.399 14.871 0.835 1.00 0.00 C ATOM 1100 O GLU A 69 -2.570 15.923 1.452 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.419 14.829 -1.664 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.054 16.178 -1.960 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.598 16.269 -3.373 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -3.949 15.215 -3.943 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.671 17.395 -3.908 1.00 0.00 O ATOM 0 H GLU A 69 -0.966 12.914 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.900 15.716 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.823 14.521 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.206 14.086 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.862 16.358 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.315 16.965 -1.808 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.945 13.717 1.202 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.797 13.612 2.381 1.00 0.00 C ATOM 1114 C ASN A 70 -3.174 12.691 3.429 1.00 0.00 C ATOM 1115 O ASN A 70 -3.833 12.294 4.389 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.182 13.093 1.987 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.662 13.668 0.669 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.552 14.519 0.635 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.074 13.203 -0.428 1.00 0.00 N ATOM 0 H ASN A 70 -2.813 12.840 0.699 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.897 14.607 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.153 12.006 1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.897 13.343 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.356 13.551 -1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.341 12.498 -0.354 1.00 0.00 H new ATOM 1126 N SER A 71 -1.899 12.354 3.240 1.00 0.00 N ATOM 1127 CA SER A 71 -1.192 11.482 4.171 1.00 0.00 C ATOM 1128 C SER A 71 0.321 11.635 4.013 1.00 0.00 C ATOM 1129 O SER A 71 1.006 10.707 3.582 1.00 0.00 O ATOM 1130 CB SER A 71 -1.603 10.024 3.947 1.00 0.00 C ATOM 1131 OG SER A 71 -2.467 9.574 4.976 1.00 0.00 O ATOM 0 H SER A 71 -1.337 12.672 2.451 1.00 0.00 H new ATOM 0 HA SER A 71 -1.462 11.773 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.100 9.927 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.714 9.394 3.912 1.00 0.00 H new ATOM 0 HG SER A 71 -3.161 10.247 5.138 1.00 0.00 H new ATOM 1137 N PRO A 72 0.863 12.814 4.360 1.00 0.00 N ATOM 1138 CA PRO A 72 2.298 13.085 4.253 1.00 0.00 C ATOM 1139 C PRO A 72 3.108 12.315 5.286 1.00 0.00 C ATOM 1140 O PRO A 72 4.318 12.134 5.141 1.00 0.00 O ATOM 1141 CB PRO A 72 2.413 14.598 4.502 1.00 0.00 C ATOM 1142 CG PRO A 72 1.013 15.121 4.488 1.00 0.00 C ATOM 1143 CD PRO A 72 0.130 13.974 4.879 1.00 0.00 C ATOM 0 HA PRO A 72 2.693 12.775 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.897 14.801 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.017 15.076 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.902 15.952 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.748 15.496 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.006 13.917 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.863 14.057 4.436 1.00 0.00 H new ATOM 1151 N ASP A 73 2.427 11.864 6.324 1.00 0.00 N ATOM 1152 CA ASP A 73 3.064 11.104 7.395 1.00 0.00 C ATOM 1153 C ASP A 73 2.737 9.620 7.270 1.00 0.00 C ATOM 1154 O ASP A 73 2.631 8.909 8.269 1.00 0.00 O ATOM 1155 CB ASP A 73 2.612 11.625 8.758 1.00 0.00 C ATOM 1156 CG ASP A 73 3.426 11.047 9.898 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.606 10.704 9.672 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.883 10.937 11.018 1.00 0.00 O ATOM 0 H ASP A 73 1.426 12.010 6.452 1.00 0.00 H new ATOM 0 HA ASP A 73 4.143 11.231 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.692 12.712 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.560 11.381 8.906 1.00 0.00 H new ATOM 1163 N SER A 74 2.578 9.163 6.033 1.00 0.00 N ATOM 1164 CA SER A 74 2.258 7.766 5.763 1.00 0.00 C ATOM 1165 C SER A 74 3.415 7.077 5.040 1.00 0.00 C ATOM 1166 O SER A 74 4.555 7.540 5.093 1.00 0.00 O ATOM 1167 CB SER A 74 0.977 7.680 4.928 1.00 0.00 C ATOM 1168 OG SER A 74 0.627 6.333 4.658 1.00 0.00 O ATOM 0 H SER A 74 2.666 9.742 5.198 1.00 0.00 H new ATOM 0 HA SER A 74 2.099 7.253 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.161 8.171 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.115 8.217 3.990 1.00 0.00 H new ATOM 0 HG SER A 74 -0.341 6.219 4.763 1.00 0.00 H new ATOM 1174 N VAL A 75 3.115 5.977 4.352 1.00 0.00 N ATOM 1175 CA VAL A 75 4.136 5.248 3.613 1.00 0.00 C ATOM 1176 C VAL A 75 3.571 4.599 2.359 1.00 0.00 C ATOM 1177 O VAL A 75 2.490 4.022 2.374 1.00 0.00 O ATOM 1178 CB VAL A 75 4.814 4.160 4.460 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.952 3.532 3.663 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.322 4.739 5.771 1.00 0.00 C ATOM 0 H VAL A 75 2.179 5.576 4.293 1.00 0.00 H new ATOM 0 HA VAL A 75 4.880 5.995 3.337 1.00 0.00 H new ATOM 0 HB VAL A 75 4.084 3.387 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.434 2.760 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.555 3.087 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.682 4.299 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.799 3.952 6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.046 5.527 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.486 5.154 6.334 1.00 0.00 H new ATOM 1190 N VAL A 76 4.314 4.722 1.273 1.00 0.00 N ATOM 1191 CA VAL A 76 3.894 4.166 -0.007 1.00 0.00 C ATOM 1192 C VAL A 76 4.819 3.044 -0.462 1.00 0.00 C ATOM 1193 O VAL A 76 5.972 3.280 -0.816 1.00 0.00 O ATOM 1194 CB VAL A 76 3.846 5.248 -1.101 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.192 4.706 -2.361 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.111 6.483 -0.599 1.00 0.00 C ATOM 0 H VAL A 76 5.213 5.202 1.249 1.00 0.00 H new ATOM 0 HA VAL A 76 2.893 3.763 0.145 1.00 0.00 H new ATOM 0 HB VAL A 76 4.868 5.536 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.167 5.486 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.764 3.855 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.174 4.388 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.087 7.237 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.091 6.213 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.628 6.885 0.273 1.00 0.00 H new ATOM 1206 N ILE A 77 4.301 1.822 -0.458 1.00 0.00 N ATOM 1207 CA ILE A 77 5.076 0.663 -0.882 1.00 0.00 C ATOM 1208 C ILE A 77 4.734 0.287 -2.319 1.00 0.00 C ATOM 1209 O ILE A 77 5.615 -0.063 -3.105 1.00 0.00 O ATOM 1210 CB ILE A 77 4.833 -0.545 0.043 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.115 -0.162 1.497 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.703 -1.722 -0.376 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.547 0.260 1.743 1.00 0.00 C ATOM 0 H ILE A 77 3.347 1.608 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 77 6.130 0.934 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 77 3.788 -0.844 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.450 0.652 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.879 -1.010 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.518 -2.566 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.461 -2.007 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.753 -1.437 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.675 0.517 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.217 -0.560 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.782 1.127 1.126 1.00 0.00 H new ATOM 1225 N VAL A 78 3.449 0.372 -2.658 1.00 0.00 N ATOM 1226 CA VAL A 78 2.985 0.051 -4.007 1.00 0.00 C ATOM 1227 C VAL A 78 3.611 -1.244 -4.518 1.00 0.00 C ATOM 1228 O VAL A 78 4.534 -1.223 -5.333 1.00 0.00 O ATOM 1229 CB VAL A 78 3.305 1.199 -4.987 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.801 0.870 -6.386 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.699 2.503 -4.493 1.00 0.00 C ATOM 0 H VAL A 78 2.710 0.661 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 78 1.905 -0.082 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 78 4.388 1.317 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.037 1.693 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.283 -0.041 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.721 0.722 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.934 3.303 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.617 2.395 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.111 2.748 -3.514 1.00 0.00 H new ATOM 1241 N ILE A 79 3.099 -2.372 -4.036 1.00 0.00 N ATOM 1242 CA ILE A 79 3.603 -3.678 -4.445 1.00 0.00 C ATOM 1243 C ILE A 79 2.789 -4.225 -5.612 1.00 0.00 C ATOM 1244 O ILE A 79 1.596 -3.951 -5.728 1.00 0.00 O ATOM 1245 CB ILE A 79 3.562 -4.693 -3.283 1.00 0.00 C ATOM 1246 CG1 ILE A 79 3.907 -4.009 -1.959 1.00 0.00 C ATOM 1247 CG2 ILE A 79 4.520 -5.844 -3.552 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.819 -4.930 -0.763 1.00 0.00 C ATOM 0 H ILE A 79 2.335 -2.408 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 79 4.640 -3.540 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 79 2.551 -5.093 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.917 -3.603 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.233 -3.166 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.480 -6.552 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.233 -6.348 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.534 -5.458 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.077 -4.378 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.804 -5.316 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.513 -5.760 -0.891 1.00 0.00 H new ATOM 1260 N THR A 80 3.436 -4.995 -6.477 1.00 0.00 N ATOM 1261 CA THR A 80 2.758 -5.569 -7.634 1.00 0.00 C ATOM 1262 C THR A 80 3.383 -6.905 -8.028 1.00 0.00 C ATOM 1263 O THR A 80 2.702 -7.930 -8.067 1.00 0.00 O ATOM 1264 CB THR A 80 2.798 -4.593 -8.817 1.00 0.00 C ATOM 1265 OG1 THR A 80 3.977 -4.772 -9.581 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.737 -3.138 -8.402 1.00 0.00 C ATOM 0 H THR A 80 4.424 -5.236 -6.401 1.00 0.00 H new ATOM 0 HA THR A 80 1.718 -5.748 -7.361 1.00 0.00 H new ATOM 0 HB THR A 80 1.909 -4.823 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.909 -4.259 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.770 -2.505 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.811 -2.953 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.587 -2.907 -7.760 1.00 0.00 H new ATOM 1317 N VAL A 85 10.731 -3.855 -14.231 1.00 0.00 N ATOM 1318 CA VAL A 85 10.611 -2.798 -13.233 1.00 0.00 C ATOM 1319 C VAL A 85 10.554 -1.425 -13.896 1.00 0.00 C ATOM 1320 O VAL A 85 11.459 -0.605 -13.733 1.00 0.00 O ATOM 1321 CB VAL A 85 11.787 -2.830 -12.237 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.545 -1.859 -11.093 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.004 -4.241 -11.713 1.00 0.00 C ATOM 0 HA VAL A 85 9.683 -2.976 -12.690 1.00 0.00 H new ATOM 0 HB VAL A 85 12.691 -2.519 -12.760 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.386 -1.896 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.445 -0.848 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.630 -2.136 -10.568 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.838 -4.244 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.102 -4.584 -11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.228 -4.908 -12.546 1.00 0.00 H new ATOM 1333 N ASP A 86 9.483 -1.179 -14.644 1.00 0.00 N ATOM 1334 CA ASP A 86 9.308 0.096 -15.331 1.00 0.00 C ATOM 1335 C ASP A 86 8.158 0.896 -14.725 1.00 0.00 C ATOM 1336 O ASP A 86 8.130 2.122 -14.820 1.00 0.00 O ATOM 1337 CB ASP A 86 9.058 -0.133 -16.823 1.00 0.00 C ATOM 1338 CG ASP A 86 7.980 -1.170 -17.077 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.181 -1.433 -16.153 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.936 -1.718 -18.198 1.00 0.00 O ATOM 0 H ASP A 86 8.724 -1.845 -14.790 1.00 0.00 H new ATOM 0 HA ASP A 86 10.226 0.671 -15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.769 0.809 -17.289 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.985 -0.453 -17.299 1.00 0.00 H new ATOM 1345 N THR A 87 7.221 0.201 -14.085 1.00 0.00 N ATOM 1346 CA THR A 87 6.091 0.869 -13.450 1.00 0.00 C ATOM 1347 C THR A 87 6.486 1.316 -12.049 1.00 0.00 C ATOM 1348 O THR A 87 6.025 2.347 -11.557 1.00 0.00 O ATOM 1349 CB THR A 87 4.861 -0.052 -13.406 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.668 0.710 -13.462 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.780 -0.927 -12.168 1.00 0.00 C ATOM 0 H THR A 87 7.222 -0.815 -13.993 1.00 0.00 H new ATOM 0 HA THR A 87 5.822 1.746 -14.039 1.00 0.00 H new ATOM 0 HB THR A 87 4.972 -0.703 -14.273 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.894 0.109 -13.435 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.883 -1.545 -12.217 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.660 -1.568 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.738 -0.297 -11.279 1.00 0.00 H new ATOM 1359 N ALA A 88 7.364 0.540 -11.425 1.00 0.00 N ATOM 1360 CA ALA A 88 7.853 0.854 -10.094 1.00 0.00 C ATOM 1361 C ALA A 88 8.589 2.180 -10.114 1.00 0.00 C ATOM 1362 O ALA A 88 8.242 3.114 -9.394 1.00 0.00 O ATOM 1363 CB ALA A 88 8.779 -0.244 -9.605 1.00 0.00 C ATOM 0 H ALA A 88 7.752 -0.315 -11.824 1.00 0.00 H new ATOM 0 HA ALA A 88 7.004 0.927 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.140 0.002 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.237 -1.189 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.626 -0.335 -10.284 1.00 0.00 H new ATOM 1369 N VAL A 89 9.606 2.247 -10.959 1.00 0.00 N ATOM 1370 CA VAL A 89 10.407 3.450 -11.103 1.00 0.00 C ATOM 1371 C VAL A 89 9.540 4.640 -11.504 1.00 0.00 C ATOM 1372 O VAL A 89 9.874 5.788 -11.218 1.00 0.00 O ATOM 1373 CB VAL A 89 11.520 3.250 -12.151 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.361 2.032 -11.804 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.927 3.110 -13.548 1.00 0.00 C ATOM 0 H VAL A 89 9.897 1.475 -11.559 1.00 0.00 H new ATOM 0 HA VAL A 89 10.864 3.655 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 89 12.163 4.130 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.142 1.904 -12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.817 2.172 -10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.727 1.145 -11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.730 2.970 -14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.259 2.249 -13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.367 4.011 -13.798 1.00 0.00 H new ATOM 1385 N LYS A 90 8.424 4.356 -12.171 1.00 0.00 N ATOM 1386 CA LYS A 90 7.510 5.402 -12.613 1.00 0.00 C ATOM 1387 C LYS A 90 6.580 5.845 -11.484 1.00 0.00 C ATOM 1388 O LYS A 90 5.849 6.824 -11.625 1.00 0.00 O ATOM 1389 CB LYS A 90 6.680 4.908 -13.799 1.00 0.00 C ATOM 1390 CG LYS A 90 5.678 5.933 -14.310 1.00 0.00 C ATOM 1391 CD LYS A 90 5.100 5.529 -15.658 1.00 0.00 C ATOM 1392 CE LYS A 90 5.544 6.472 -16.764 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.462 7.418 -17.153 1.00 0.00 N ATOM 0 H LYS A 90 8.132 3.410 -12.416 1.00 0.00 H new ATOM 0 HA LYS A 90 8.109 6.260 -12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.352 4.632 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.146 4.004 -13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.871 6.045 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.164 6.905 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.413 4.513 -15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.012 5.522 -15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.417 7.035 -16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.850 5.892 -17.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.804 8.044 -17.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.638 6.882 -17.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.187 7.989 -16.329 1.00 0.00 H new ATOM 1407 N ALA A 91 6.597 5.116 -10.370 1.00 0.00 N ATOM 1408 CA ALA A 91 5.735 5.444 -9.240 1.00 0.00 C ATOM 1409 C ALA A 91 6.532 5.700 -7.963 1.00 0.00 C ATOM 1410 O ALA A 91 6.074 6.417 -7.074 1.00 0.00 O ATOM 1411 CB ALA A 91 4.730 4.325 -9.012 1.00 0.00 C ATOM 0 H ALA A 91 7.194 4.301 -10.227 1.00 0.00 H new ATOM 0 HA ALA A 91 5.209 6.366 -9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.090 4.577 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.118 4.198 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.261 3.397 -8.801 1.00 0.00 H new ATOM 1417 N ILE A 92 7.715 5.104 -7.862 1.00 0.00 N ATOM 1418 CA ILE A 92 8.542 5.270 -6.673 1.00 0.00 C ATOM 1419 C ILE A 92 9.365 6.555 -6.728 1.00 0.00 C ATOM 1420 O ILE A 92 9.475 7.270 -5.732 1.00 0.00 O ATOM 1421 CB ILE A 92 9.472 4.055 -6.451 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.691 4.108 -7.378 1.00 0.00 C ATOM 1423 CG2 ILE A 92 8.702 2.756 -6.660 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.588 2.889 -7.265 1.00 0.00 C ATOM 0 H ILE A 92 8.120 4.506 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 92 7.858 5.339 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 92 9.833 4.092 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.350 4.205 -8.409 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.273 5.001 -7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.368 1.908 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 92 7.875 2.705 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.311 2.724 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.431 2.993 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.958 2.803 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.021 1.995 -7.522 1.00 0.00 H new ATOM 1436 N LYS A 93 9.932 6.852 -7.892 1.00 0.00 N ATOM 1437 CA LYS A 93 10.732 8.063 -8.057 1.00 0.00 C ATOM 1438 C LYS A 93 9.919 9.301 -7.686 1.00 0.00 C ATOM 1439 O LYS A 93 10.477 10.340 -7.331 1.00 0.00 O ATOM 1440 CB LYS A 93 11.237 8.179 -9.497 1.00 0.00 C ATOM 1441 CG LYS A 93 12.703 7.808 -9.658 1.00 0.00 C ATOM 1442 CD LYS A 93 13.424 8.758 -10.603 1.00 0.00 C ATOM 1443 CE LYS A 93 13.761 8.085 -11.925 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.212 7.766 -12.031 1.00 0.00 N ATOM 0 H LYS A 93 9.854 6.276 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 93 11.590 7.997 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.635 7.535 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.089 9.202 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.191 7.824 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.781 6.789 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.799 9.632 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.340 9.115 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.179 7.168 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.471 8.737 -12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.401 7.309 -12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.766 8.643 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.483 7.123 -11.260 1.00 0.00 H new ATOM 1458 N LYS A 94 8.596 9.180 -7.766 1.00 0.00 N ATOM 1459 CA LYS A 94 7.704 10.285 -7.436 1.00 0.00 C ATOM 1460 C LYS A 94 7.765 10.612 -5.947 1.00 0.00 C ATOM 1461 O LYS A 94 7.480 11.739 -5.540 1.00 0.00 O ATOM 1462 CB LYS A 94 6.272 9.946 -7.842 1.00 0.00 C ATOM 1463 CG LYS A 94 5.709 10.871 -8.910 1.00 0.00 C ATOM 1464 CD LYS A 94 4.742 11.884 -8.317 1.00 0.00 C ATOM 1465 CE LYS A 94 3.801 12.441 -9.374 1.00 0.00 C ATOM 1466 NZ LYS A 94 2.410 12.575 -8.861 1.00 0.00 N ATOM 0 H LYS A 94 8.119 8.327 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 94 8.033 11.164 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.240 8.920 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.633 9.990 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.526 11.394 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.198 10.281 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.162 11.413 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.303 12.700 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.162 13.415 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.805 11.787 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.759 12.727 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.141 11.707 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.356 13.385 -8.211 1.00 0.00 H new ATOM 1480 N GLY A 95 8.139 9.624 -5.138 1.00 0.00 N ATOM 1481 CA GLY A 95 8.228 9.840 -3.705 1.00 0.00 C ATOM 1482 C GLY A 95 7.947 8.587 -2.895 1.00 0.00 C ATOM 1483 O GLY A 95 8.261 8.531 -1.706 1.00 0.00 O ATOM 0 H GLY A 95 8.381 8.683 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.225 10.208 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.521 10.618 -3.416 1.00 0.00 H new ATOM 1487 N ALA A 96 7.349 7.579 -3.529 1.00 0.00 N ATOM 1488 CA ALA A 96 7.027 6.332 -2.841 1.00 0.00 C ATOM 1489 C ALA A 96 8.245 5.761 -2.121 1.00 0.00 C ATOM 1490 O ALA A 96 9.343 6.312 -2.202 1.00 0.00 O ATOM 1491 CB ALA A 96 6.466 5.309 -3.821 1.00 0.00 C ATOM 0 H ALA A 96 7.079 7.602 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 96 6.268 6.556 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.232 4.386 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.559 5.704 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.205 5.104 -4.596 1.00 0.00 H new ATOM 1497 N TYR A 97 8.037 4.656 -1.414 1.00 0.00 N ATOM 1498 CA TYR A 97 9.109 4.003 -0.671 1.00 0.00 C ATOM 1499 C TYR A 97 9.740 2.879 -1.485 1.00 0.00 C ATOM 1500 O TYR A 97 10.247 1.905 -0.930 1.00 0.00 O ATOM 1501 CB TYR A 97 8.563 3.454 0.642 1.00 0.00 C ATOM 1502 CG TYR A 97 9.623 2.882 1.555 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.493 3.715 2.247 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.753 1.510 1.727 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.461 3.197 3.084 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.718 0.984 2.562 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.570 1.831 3.238 1.00 0.00 C ATOM 1508 OH TYR A 97 12.534 1.310 4.071 1.00 0.00 O ATOM 0 H TYR A 97 7.132 4.192 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 97 9.882 4.743 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.037 4.251 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.829 2.678 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.411 4.785 2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.088 0.843 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.129 3.858 3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.805 -0.085 2.685 1.00 0.00 H new ATOM 0 HH TYR A 97 12.475 0.332 4.068 1.00 0.00 H new ATOM 1518 N GLU A 98 9.697 3.026 -2.804 1.00 0.00 N ATOM 1519 CA GLU A 98 10.261 2.035 -3.720 1.00 0.00 C ATOM 1520 C GLU A 98 9.436 0.752 -3.721 1.00 0.00 C ATOM 1521 O GLU A 98 8.972 0.296 -2.677 1.00 0.00 O ATOM 1522 CB GLU A 98 11.721 1.728 -3.364 1.00 0.00 C ATOM 1523 CG GLU A 98 12.329 0.600 -4.184 1.00 0.00 C ATOM 1524 CD GLU A 98 13.560 1.034 -4.957 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.359 1.821 -4.408 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.723 0.588 -6.112 1.00 0.00 O ATOM 0 H GLU A 98 9.274 3.829 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 98 10.231 2.460 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.317 2.630 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.781 1.469 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.593 -0.224 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.582 0.220 -4.882 1.00 0.00 H new ATOM 1533 N PHE A 99 9.261 0.180 -4.908 1.00 0.00 N ATOM 1534 CA PHE A 99 8.496 -1.050 -5.067 1.00 0.00 C ATOM 1535 C PHE A 99 9.041 -2.154 -4.167 1.00 0.00 C ATOM 1536 O PHE A 99 10.246 -2.233 -3.925 1.00 0.00 O ATOM 1537 CB PHE A 99 8.534 -1.508 -6.527 1.00 0.00 C ATOM 1538 CG PHE A 99 7.243 -1.290 -7.264 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.568 -0.084 -7.168 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.707 -2.291 -8.059 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.382 0.119 -7.850 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.523 -2.093 -8.744 1.00 0.00 C ATOM 1543 CZ PHE A 99 4.860 -0.887 -8.638 1.00 0.00 C ATOM 0 H PHE A 99 9.641 0.552 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 99 7.465 -0.847 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.332 -0.975 -7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.786 -2.568 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.973 0.707 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.221 -3.237 -8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.865 1.063 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.117 -2.881 -9.361 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.934 -0.731 -9.171 1.00 0.00 H new ATOM 1553 N LEU A 100 8.147 -3.002 -3.677 1.00 0.00 N ATOM 1554 CA LEU A 100 8.533 -4.100 -2.810 1.00 0.00 C ATOM 1555 C LEU A 100 8.915 -5.330 -3.628 1.00 0.00 C ATOM 1556 O LEU A 100 8.059 -5.971 -4.239 1.00 0.00 O ATOM 1557 CB LEU A 100 7.386 -4.436 -1.859 1.00 0.00 C ATOM 1558 CG LEU A 100 7.812 -5.092 -0.553 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.585 -6.366 -0.841 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.652 -4.130 0.275 1.00 0.00 C ATOM 0 H LEU A 100 7.146 -2.948 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 100 9.404 -3.794 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.843 -3.519 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.689 -5.099 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 100 6.921 -5.347 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.886 -6.829 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.953 -7.056 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.472 -6.129 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.949 -4.614 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.542 -3.848 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.068 -3.238 0.500 1.00 0.00 H new ATOM 1572 N GLU A 101 10.204 -5.653 -3.634 1.00 0.00 N ATOM 1573 CA GLU A 101 10.702 -6.805 -4.379 1.00 0.00 C ATOM 1574 C GLU A 101 9.999 -8.087 -3.941 1.00 0.00 C ATOM 1575 O GLU A 101 9.021 -8.046 -3.195 1.00 0.00 O ATOM 1576 CB GLU A 101 12.214 -6.945 -4.190 1.00 0.00 C ATOM 1577 CG GLU A 101 12.963 -7.246 -5.479 1.00 0.00 C ATOM 1578 CD GLU A 101 14.289 -7.939 -5.234 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.276 -9.111 -4.804 1.00 0.00 O ATOM 1580 OE2 GLU A 101 15.341 -7.309 -5.472 1.00 0.00 O ATOM 0 H GLU A 101 10.923 -5.133 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 101 10.488 -6.642 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.605 -6.023 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.410 -7.741 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.342 -7.874 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.138 -6.316 -6.019 1.00 0.00 H new ATOM 1654 N VAL A 106 5.599 -11.257 0.263 1.00 0.00 N ATOM 1655 CA VAL A 106 5.818 -10.027 1.012 1.00 0.00 C ATOM 1656 C VAL A 106 6.563 -10.303 2.318 1.00 0.00 C ATOM 1657 O VAL A 106 6.168 -9.830 3.386 1.00 0.00 O ATOM 1658 CB VAL A 106 4.484 -9.313 1.316 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.763 -8.964 0.022 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.601 -10.170 2.209 1.00 0.00 C ATOM 0 HA VAL A 106 6.430 -9.375 0.389 1.00 0.00 H new ATOM 0 HB VAL A 106 4.705 -8.388 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.824 -8.461 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.390 -8.304 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.558 -9.877 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.667 -9.645 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.386 -11.115 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.116 -10.366 3.150 1.00 0.00 H new ATOM 1670 N GLU A 107 7.661 -11.051 2.221 1.00 0.00 N ATOM 1671 CA GLU A 107 8.472 -11.367 3.386 1.00 0.00 C ATOM 1672 C GLU A 107 9.246 -10.129 3.817 1.00 0.00 C ATOM 1673 O GLU A 107 9.064 -9.625 4.924 1.00 0.00 O ATOM 1674 CB GLU A 107 9.429 -12.518 3.062 1.00 0.00 C ATOM 1675 CG GLU A 107 10.544 -12.694 4.077 1.00 0.00 C ATOM 1676 CD GLU A 107 10.907 -14.149 4.304 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.034 -15.017 4.092 1.00 0.00 O ATOM 1678 OE2 GLU A 107 12.062 -14.418 4.694 1.00 0.00 O ATOM 0 H GLU A 107 8.006 -11.447 1.347 1.00 0.00 H new ATOM 0 HA GLU A 107 7.825 -11.680 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.859 -13.445 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.869 -12.346 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.427 -12.153 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.241 -12.248 5.024 1.00 0.00 H new ATOM 1685 N ARG A 108 10.092 -9.624 2.920 1.00 0.00 N ATOM 1686 CA ARG A 108 10.864 -8.422 3.203 1.00 0.00 C ATOM 1687 C ARG A 108 9.917 -7.301 3.614 1.00 0.00 C ATOM 1688 O ARG A 108 10.262 -6.434 4.418 1.00 0.00 O ATOM 1689 CB ARG A 108 11.680 -8.006 1.977 1.00 0.00 C ATOM 1690 CG ARG A 108 13.144 -7.734 2.284 1.00 0.00 C ATOM 1691 CD ARG A 108 14.056 -8.292 1.203 1.00 0.00 C ATOM 1692 NE ARG A 108 15.459 -7.967 1.447 1.00 0.00 N ATOM 1693 CZ ARG A 108 16.007 -6.786 1.168 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.274 -5.816 0.635 1.00 0.00 N ATOM 1695 NH2 ARG A 108 17.292 -6.576 1.421 1.00 0.00 N ATOM 0 H ARG A 108 10.257 -10.028 1.998 1.00 0.00 H new ATOM 0 HA ARG A 108 11.558 -8.626 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.615 -8.792 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.236 -7.110 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.303 -6.660 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.403 -8.179 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.938 -9.374 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.755 -7.894 0.234 1.00 0.00 H new ATOM 0 HE ARG A 108 16.054 -8.688 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.286 -5.973 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.699 -4.913 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.860 -7.319 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.713 -5.672 1.208 1.00 0.00 H new ATOM 1709 N PHE A 109 8.704 -7.352 3.066 1.00 0.00 N ATOM 1710 CA PHE A 109 7.673 -6.375 3.376 1.00 0.00 C ATOM 1711 C PHE A 109 7.335 -6.442 4.859 1.00 0.00 C ATOM 1712 O PHE A 109 7.141 -5.420 5.515 1.00 0.00 O ATOM 1713 CB PHE A 109 6.423 -6.660 2.541 1.00 0.00 C ATOM 1714 CG PHE A 109 5.246 -5.794 2.890 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.124 -4.520 2.360 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.260 -6.257 3.747 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.041 -3.723 2.680 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.175 -5.465 4.069 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.065 -4.196 3.536 1.00 0.00 C ATOM 0 H PHE A 109 8.414 -8.068 2.400 1.00 0.00 H new ATOM 0 HA PHE A 109 8.038 -5.376 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.663 -6.522 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.143 -7.706 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.883 -4.145 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.341 -7.248 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.958 -2.731 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.413 -5.838 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.218 -3.575 3.788 1.00 0.00 H new ATOM 1729 N LEU A 110 7.272 -7.664 5.377 1.00 0.00 N ATOM 1730 CA LEU A 110 6.967 -7.897 6.783 1.00 0.00 C ATOM 1731 C LEU A 110 7.883 -7.083 7.694 1.00 0.00 C ATOM 1732 O LEU A 110 7.420 -6.272 8.495 1.00 0.00 O ATOM 1733 CB LEU A 110 7.111 -9.379 7.103 1.00 0.00 C ATOM 1734 CG LEU A 110 6.187 -9.893 8.205 1.00 0.00 C ATOM 1735 CD1 LEU A 110 6.059 -11.405 8.129 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.706 -9.464 9.566 1.00 0.00 C ATOM 0 H LEU A 110 7.430 -8.515 4.838 1.00 0.00 H new ATOM 0 HA LEU A 110 5.940 -7.579 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.923 -9.952 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.143 -9.574 7.394 1.00 0.00 H new ATOM 0 HG LEU A 110 5.197 -9.461 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.397 -11.754 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.646 -11.687 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.042 -11.860 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.039 -9.836 10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.705 -9.872 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.747 -8.376 9.613 1.00 0.00 H new ATOM 1748 N LEU A 111 9.186 -7.313 7.567 1.00 0.00 N ATOM 1749 CA LEU A 111 10.174 -6.612 8.381 1.00 0.00 C ATOM 1750 C LEU A 111 10.211 -5.121 8.057 1.00 0.00 C ATOM 1751 O LEU A 111 10.257 -4.283 8.957 1.00 0.00 O ATOM 1752 CB LEU A 111 11.562 -7.223 8.169 1.00 0.00 C ATOM 1753 CG LEU A 111 11.655 -8.728 8.430 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.452 -9.505 7.139 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.995 -9.078 9.059 1.00 0.00 C ATOM 0 H LEU A 111 9.583 -7.981 6.907 1.00 0.00 H new ATOM 0 HA LEU A 111 9.882 -6.724 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.875 -7.028 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.270 -6.712 8.821 1.00 0.00 H new ATOM 0 HG LEU A 111 10.865 -9.007 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.521 -10.574 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.469 -9.277 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.220 -9.222 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.044 -10.152 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.801 -8.785 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.102 -8.548 10.005 1.00 0.00 H new ATOM 1767 N THR A 112 10.195 -4.795 6.768 1.00 0.00 N ATOM 1768 CA THR A 112 10.232 -3.404 6.330 1.00 0.00 C ATOM 1769 C THR A 112 9.033 -2.627 6.865 1.00 0.00 C ATOM 1770 O THR A 112 9.150 -1.457 7.231 1.00 0.00 O ATOM 1771 CB THR A 112 10.258 -3.335 4.801 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.418 -3.968 4.291 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.233 -1.920 4.263 1.00 0.00 C ATOM 0 H THR A 112 10.157 -5.475 6.009 1.00 0.00 H new ATOM 0 HA THR A 112 11.139 -2.948 6.727 1.00 0.00 H new ATOM 0 HB THR A 112 9.352 -3.846 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.270 -4.936 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.253 -1.945 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.324 -1.419 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.103 -1.376 4.630 1.00 0.00 H new ATOM 1781 N ILE A 113 7.881 -3.286 6.903 1.00 0.00 N ATOM 1782 CA ILE A 113 6.650 -2.666 7.386 1.00 0.00 C ATOM 1783 C ILE A 113 6.864 -1.969 8.726 1.00 0.00 C ATOM 1784 O ILE A 113 6.531 -0.794 8.881 1.00 0.00 O ATOM 1785 CB ILE A 113 5.518 -3.714 7.517 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.729 -3.806 6.209 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.591 -3.384 8.679 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.969 -2.542 5.872 1.00 0.00 C ATOM 0 H ILE A 113 7.772 -4.255 6.604 1.00 0.00 H new ATOM 0 HA ILE A 113 6.357 -1.917 6.651 1.00 0.00 H new ATOM 0 HB ILE A 113 5.975 -4.682 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.416 -4.035 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.026 -4.636 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.807 -4.138 8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.162 -3.372 9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.140 -2.405 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.433 -2.679 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.257 -2.323 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.669 -1.712 5.773 1.00 0.00 H new ATOM 1800 N LYS A 114 7.421 -2.697 9.689 1.00 0.00 N ATOM 1801 CA LYS A 114 7.679 -2.141 11.011 1.00 0.00 C ATOM 1802 C LYS A 114 8.336 -0.776 10.883 1.00 0.00 C ATOM 1803 O LYS A 114 7.832 0.222 11.398 1.00 0.00 O ATOM 1804 CB LYS A 114 8.571 -3.082 11.819 1.00 0.00 C ATOM 1805 CG LYS A 114 8.403 -2.939 13.322 1.00 0.00 C ATOM 1806 CD LYS A 114 9.099 -1.694 13.846 1.00 0.00 C ATOM 1807 CE LYS A 114 10.595 -1.739 13.582 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.361 -0.961 14.593 1.00 0.00 N ATOM 0 H LYS A 114 7.702 -3.671 9.578 1.00 0.00 H new ATOM 0 HA LYS A 114 6.730 -2.028 11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.352 -4.111 11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.613 -2.894 11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.342 -2.894 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.808 -3.820 13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 114 8.671 -0.810 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.920 -1.600 14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.934 -2.775 13.588 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.800 -1.343 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.184 -1.514 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.684 -0.067 14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.750 -0.758 15.410 1.00 0.00 H new ATOM 1822 N HIS A 115 9.464 -0.744 10.184 1.00 0.00 N ATOM 1823 CA HIS A 115 10.198 0.497 9.972 1.00 0.00 C ATOM 1824 C HIS A 115 9.286 1.582 9.405 1.00 0.00 C ATOM 1825 O HIS A 115 9.415 2.757 9.751 1.00 0.00 O ATOM 1826 CB HIS A 115 11.379 0.261 9.036 1.00 0.00 C ATOM 1827 CG HIS A 115 12.672 0.810 9.554 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.011 0.803 10.891 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.715 1.383 8.907 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.204 1.350 11.044 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.653 1.708 9.855 1.00 0.00 N ATOM 0 H HIS A 115 9.891 -1.565 9.754 1.00 0.00 H new ATOM 0 HA HIS A 115 10.574 0.837 10.937 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.490 -0.810 8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.162 0.715 8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.794 1.553 7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.723 1.482 11.982 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.552 2.154 9.671 1.00 0.00 H new ATOM 1840 N ALA A 116 8.356 1.183 8.539 1.00 0.00 N ATOM 1841 CA ALA A 116 7.421 2.127 7.939 1.00 0.00 C ATOM 1842 C ALA A 116 6.612 2.839 9.018 1.00 0.00 C ATOM 1843 O ALA A 116 6.327 4.032 8.916 1.00 0.00 O ATOM 1844 CB ALA A 116 6.496 1.407 6.967 1.00 0.00 C ATOM 0 H ALA A 116 8.232 0.216 8.239 1.00 0.00 H new ATOM 0 HA ALA A 116 7.990 2.876 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.803 2.123 6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.088 0.942 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.934 0.640 7.500 1.00 0.00 H new ATOM 1850 N PHE A 117 6.242 2.091 10.052 1.00 0.00 N ATOM 1851 CA PHE A 117 5.462 2.631 11.156 1.00 0.00 C ATOM 1852 C PHE A 117 6.345 3.344 12.179 1.00 0.00 C ATOM 1853 O PHE A 117 5.849 4.107 13.009 1.00 0.00 O ATOM 1854 CB PHE A 117 4.699 1.502 11.845 1.00 0.00 C ATOM 1855 CG PHE A 117 3.428 1.115 11.148 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.289 1.882 11.299 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.372 -0.018 10.351 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.113 1.532 10.669 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.196 -0.374 9.717 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.064 0.402 9.877 1.00 0.00 C ATOM 0 H PHE A 117 6.473 1.102 10.147 1.00 0.00 H new ATOM 0 HA PHE A 117 4.765 3.361 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.346 0.627 11.912 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.465 1.805 12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.320 2.767 11.918 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.254 -0.628 10.224 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.231 2.142 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.162 -1.258 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.144 0.126 9.384 1.00 0.00 H new ATOM 1870 N GLU A 118 7.649 3.082 12.134 1.00 0.00 N ATOM 1871 CA GLU A 118 8.577 3.694 13.082 1.00 0.00 C ATOM 1872 C GLU A 118 9.367 4.840 12.455 1.00 0.00 C ATOM 1873 O GLU A 118 9.228 5.993 12.860 1.00 0.00 O ATOM 1874 CB GLU A 118 9.542 2.639 13.626 1.00 0.00 C ATOM 1875 CG GLU A 118 8.846 1.468 14.300 1.00 0.00 C ATOM 1876 CD GLU A 118 8.235 1.845 15.636 1.00 0.00 C ATOM 1877 OE1 GLU A 118 7.472 2.832 15.684 1.00 0.00 O ATOM 1878 OE2 GLU A 118 8.520 1.151 16.635 1.00 0.00 O ATOM 0 H GLU A 118 8.085 2.455 11.457 1.00 0.00 H new ATOM 0 HA GLU A 118 7.983 4.108 13.897 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.156 2.264 12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.217 3.110 14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.065 1.086 13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.562 0.660 14.447 1.00 0.00 H new