USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 Set 1.1: A 35 LYS NZ :NH3+ 162:sc= 0.853 (180deg=0) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.719 K(o=1.6,f=-10!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -169:sc= 1.19 (180deg=-0.17) USER MOD Set 2.2: A 93 GLN : amide:sc= 1.1 K(o=2.3,f=-7.7!) USER MOD Single : A 7 GLN : amide:sc= -1.58 K(o=-1.6,f=-7.4!) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0.937 (180deg=0.345) USER MOD Single : A 15 THR OG1 : rot 170:sc= 0.0172 USER MOD Single : A 18 SER OG : rot 180:sc= -0.284 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.545 (180deg=-0.0654) USER MOD Single : A 29 THR OG1 : rot 103:sc= 0.35 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0949 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 67:sc= 0.995 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0754 (180deg=-0.405) USER MOD Single : A 48 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -110:sc= 1.02 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.071 (180deg=-0.332) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 1.17 (180deg=0.497) USER MOD Single : A 74 TYR OH : rot -140:sc= -0.339! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 34:sc= -0.0981 USER MOD Single : A 88 MET CE :methyl -132:sc= -0.845 (180deg=-3.51!) USER MOD Single : A 89 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.762 -5.307 0.416 1.00 0.00 N ATOM 90 CA GLN A 7 13.521 -5.036 1.597 1.00 0.00 C ATOM 91 C GLN A 7 14.142 -6.331 2.067 1.00 0.00 C ATOM 92 O GLN A 7 14.042 -7.351 1.362 1.00 0.00 O ATOM 93 CB GLN A 7 12.623 -4.435 2.668 1.00 0.00 C ATOM 94 CG GLN A 7 12.058 -3.061 2.318 1.00 0.00 C ATOM 95 CD GLN A 7 13.140 -2.001 2.119 1.00 0.00 C ATOM 96 OE1 GLN A 7 13.545 -1.325 3.056 1.00 0.00 O ATOM 97 NE2 GLN A 7 13.608 -1.847 0.915 1.00 0.00 N ATOM 0 HA GLN A 7 14.309 -4.313 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.795 -5.118 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.188 -4.356 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.464 -3.140 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.384 -2.739 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.253 -2.424 0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.330 -1.150 0.734 1.00 0.00 H new ATOM 106 N LEU A 8 14.735 -6.342 3.235 1.00 0.00 N ATOM 107 CA LEU A 8 15.434 -7.541 3.648 1.00 0.00 C ATOM 108 C LEU A 8 14.563 -8.429 4.483 1.00 0.00 C ATOM 109 O LEU A 8 13.973 -7.998 5.450 1.00 0.00 O ATOM 110 CB LEU A 8 16.740 -7.249 4.371 1.00 0.00 C ATOM 111 CG LEU A 8 17.862 -6.551 3.570 1.00 0.00 C ATOM 112 CD1 LEU A 8 17.545 -5.091 3.265 1.00 0.00 C ATOM 113 CD2 LEU A 8 19.179 -6.683 4.291 1.00 0.00 C ATOM 0 H LEU A 8 14.752 -5.567 3.898 1.00 0.00 H new ATOM 0 HA LEU A 8 15.687 -8.067 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.512 -6.630 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.134 -8.193 4.747 1.00 0.00 H new ATOM 0 HG LEU A 8 17.935 -7.056 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.367 -4.650 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.629 -5.033 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.412 -4.545 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.960 -6.187 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.103 -6.220 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.427 -7.738 4.405 1.00 0.00 H new ATOM 125 N GLU A 9 14.496 -9.665 4.102 1.00 0.00 N ATOM 126 CA GLU A 9 13.652 -10.609 4.767 1.00 0.00 C ATOM 127 C GLU A 9 14.402 -11.364 5.823 1.00 0.00 C ATOM 128 O GLU A 9 15.461 -11.955 5.572 1.00 0.00 O ATOM 129 CB GLU A 9 13.018 -11.547 3.782 1.00 0.00 C ATOM 130 CG GLU A 9 12.166 -10.833 2.750 1.00 0.00 C ATOM 131 CD GLU A 9 11.670 -11.740 1.674 1.00 0.00 C ATOM 132 OE1 GLU A 9 10.620 -12.408 1.859 1.00 0.00 O ATOM 133 OE2 GLU A 9 12.328 -11.801 0.609 1.00 0.00 O ATOM 0 H GLU A 9 15.025 -10.050 3.320 1.00 0.00 H new ATOM 0 HA GLU A 9 12.857 -10.052 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.798 -12.113 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.401 -12.267 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.314 -10.370 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.748 -10.029 2.300 1.00 0.00 H new ATOM 140 N ILE A 10 13.856 -11.342 6.987 1.00 0.00 N ATOM 141 CA ILE A 10 14.444 -11.965 8.134 1.00 0.00 C ATOM 142 C ILE A 10 13.422 -12.871 8.797 1.00 0.00 C ATOM 143 O ILE A 10 12.227 -12.573 8.783 1.00 0.00 O ATOM 144 CB ILE A 10 14.924 -10.894 9.178 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.917 -9.909 8.530 1.00 0.00 C ATOM 146 CG2 ILE A 10 15.563 -11.563 10.397 1.00 0.00 C ATOM 147 CD1 ILE A 10 16.380 -8.792 9.444 1.00 0.00 C ATOM 0 H ILE A 10 12.967 -10.881 7.180 1.00 0.00 H new ATOM 0 HA ILE A 10 15.307 -12.542 7.801 1.00 0.00 H new ATOM 0 HB ILE A 10 14.048 -10.338 9.512 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.789 -10.465 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.451 -9.470 7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.886 -10.799 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.834 -12.216 10.877 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.424 -12.151 10.080 1.00 0.00 H new ATOM 0 HD11 ILE A 10 17.076 -8.147 8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.519 -8.207 9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.879 -9.218 10.315 1.00 0.00 H new ATOM 159 N LYS A 11 13.872 -13.983 9.317 1.00 0.00 N ATOM 160 CA LYS A 11 13.019 -14.814 10.116 1.00 0.00 C ATOM 161 C LYS A 11 13.611 -14.930 11.511 1.00 0.00 C ATOM 162 O LYS A 11 14.849 -14.898 11.676 1.00 0.00 O ATOM 163 CB LYS A 11 12.776 -16.205 9.517 1.00 0.00 C ATOM 164 CG LYS A 11 13.935 -17.147 9.482 1.00 0.00 C ATOM 165 CD LYS A 11 13.441 -18.519 9.085 1.00 0.00 C ATOM 166 CE LYS A 11 14.518 -19.579 9.157 1.00 0.00 C ATOM 167 NZ LYS A 11 13.975 -20.913 8.812 1.00 0.00 N ATOM 0 H LYS A 11 14.824 -14.331 9.200 1.00 0.00 H new ATOM 0 HA LYS A 11 12.040 -14.336 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.972 -16.679 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.416 -16.075 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.684 -16.796 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.417 -17.188 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.615 -18.804 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.047 -18.477 8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.329 -19.325 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.942 -19.604 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.640 -21.650 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.060 -21.049 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.844 -20.979 7.782 1.00 0.00 H new ATOM 181 N PHE A 12 12.770 -15.048 12.499 1.00 0.00 N ATOM 182 CA PHE A 12 13.231 -15.119 13.870 1.00 0.00 C ATOM 183 C PHE A 12 13.358 -16.555 14.320 1.00 0.00 C ATOM 184 O PHE A 12 12.425 -17.336 14.169 1.00 0.00 O ATOM 185 CB PHE A 12 12.279 -14.372 14.807 1.00 0.00 C ATOM 186 CG PHE A 12 12.149 -12.906 14.517 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.200 -12.044 14.775 1.00 0.00 C ATOM 188 CD2 PHE A 12 10.971 -12.387 14.003 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.084 -10.695 14.526 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.850 -11.037 13.749 1.00 0.00 C ATOM 191 CZ PHE A 12 11.910 -10.190 14.011 1.00 0.00 C ATOM 0 H PHE A 12 11.757 -15.098 12.387 1.00 0.00 H new ATOM 0 HA PHE A 12 14.212 -14.645 13.912 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.292 -14.831 14.745 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.625 -14.498 15.833 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.123 -12.434 15.177 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.140 -13.046 13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.912 -10.034 14.734 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.929 -10.643 13.346 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.818 -9.132 13.812 1.00 0.00 H new ATOM 201 N ARG A 13 14.505 -16.903 14.855 1.00 0.00 N ATOM 202 CA ARG A 13 14.712 -18.234 15.376 1.00 0.00 C ATOM 203 C ARG A 13 14.832 -18.202 16.887 1.00 0.00 C ATOM 204 O ARG A 13 15.684 -17.512 17.437 1.00 0.00 O ATOM 205 CB ARG A 13 15.935 -18.911 14.752 1.00 0.00 C ATOM 206 CG ARG A 13 16.212 -20.290 15.331 1.00 0.00 C ATOM 207 CD ARG A 13 17.374 -20.967 14.654 1.00 0.00 C ATOM 208 NE ARG A 13 17.678 -22.259 15.272 1.00 0.00 N ATOM 209 CZ ARG A 13 17.976 -23.386 14.604 1.00 0.00 C ATOM 210 NH1 ARG A 13 17.986 -23.399 13.280 1.00 0.00 N ATOM 211 NH2 ARG A 13 18.263 -24.489 15.271 1.00 0.00 N ATOM 0 H ARG A 13 15.310 -16.282 14.941 1.00 0.00 H new ATOM 0 HA ARG A 13 13.839 -18.828 15.105 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.785 -18.998 13.676 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.810 -18.278 14.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.417 -20.200 16.398 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.322 -20.911 15.229 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.147 -21.112 13.598 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.252 -20.323 14.705 1.00 0.00 H new ATOM 0 HE ARG A 13 17.662 -22.307 16.291 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.766 -22.549 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.213 -24.259 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.258 -24.484 16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.490 -25.346 14.766 1.00 0.00 H new ATOM 225 N LEU A 14 13.992 -18.956 17.536 1.00 0.00 N ATOM 226 CA LEU A 14 13.954 -19.036 18.973 1.00 0.00 C ATOM 227 C LEU A 14 15.056 -19.958 19.485 1.00 0.00 C ATOM 228 O LEU A 14 15.721 -20.663 18.704 1.00 0.00 O ATOM 229 CB LEU A 14 12.569 -19.536 19.478 1.00 0.00 C ATOM 230 CG LEU A 14 11.328 -18.619 19.265 1.00 0.00 C ATOM 231 CD1 LEU A 14 11.010 -18.382 17.793 1.00 0.00 C ATOM 232 CD2 LEU A 14 10.118 -19.203 19.973 1.00 0.00 C ATOM 0 H LEU A 14 13.299 -19.545 17.074 1.00 0.00 H new ATOM 0 HA LEU A 14 14.117 -18.031 19.363 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.364 -20.490 18.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.657 -19.733 20.546 1.00 0.00 H new ATOM 0 HG LEU A 14 11.576 -17.649 19.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.136 -17.736 17.709 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.862 -17.904 17.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.804 -19.336 17.307 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.257 -18.553 19.817 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.904 -20.193 19.570 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.324 -19.282 21.040 1.00 0.00 H new ATOM 244 N THR A 15 15.231 -19.974 20.781 1.00 0.00 N ATOM 245 CA THR A 15 16.242 -20.773 21.427 1.00 0.00 C ATOM 246 C THR A 15 15.895 -22.265 21.401 1.00 0.00 C ATOM 247 O THR A 15 16.767 -23.124 21.499 1.00 0.00 O ATOM 248 CB THR A 15 16.428 -20.286 22.869 1.00 0.00 C ATOM 249 OG1 THR A 15 15.135 -20.136 23.482 1.00 0.00 O ATOM 250 CG2 THR A 15 17.161 -18.959 22.902 1.00 0.00 C ATOM 0 H THR A 15 14.666 -19.424 21.428 1.00 0.00 H new ATOM 0 HA THR A 15 17.176 -20.655 20.877 1.00 0.00 H new ATOM 0 HB THR A 15 17.022 -21.019 23.415 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.245 -19.983 24.444 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.280 -18.635 23.936 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.142 -19.074 22.442 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.588 -18.213 22.352 1.00 0.00 H new ATOM 258 N ASP A 16 14.623 -22.561 21.235 1.00 0.00 N ATOM 259 CA ASP A 16 14.147 -23.944 21.204 1.00 0.00 C ATOM 260 C ASP A 16 14.302 -24.576 19.826 1.00 0.00 C ATOM 261 O ASP A 16 13.921 -25.732 19.621 1.00 0.00 O ATOM 262 CB ASP A 16 12.693 -24.047 21.681 1.00 0.00 C ATOM 263 CG ASP A 16 12.529 -23.684 23.138 1.00 0.00 C ATOM 264 OD1 ASP A 16 12.651 -24.588 24.000 1.00 0.00 O ATOM 265 OD2 ASP A 16 12.284 -22.503 23.445 1.00 0.00 O ATOM 0 H ASP A 16 13.889 -21.863 21.118 1.00 0.00 H new ATOM 0 HA ASP A 16 14.777 -24.504 21.895 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.069 -23.390 21.075 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.334 -25.064 21.522 1.00 0.00 H new ATOM 270 N GLY A 17 14.851 -23.827 18.887 1.00 0.00 N ATOM 271 CA GLY A 17 15.073 -24.356 17.548 1.00 0.00 C ATOM 272 C GLY A 17 13.889 -24.128 16.636 1.00 0.00 C ATOM 273 O GLY A 17 13.865 -24.601 15.493 1.00 0.00 O ATOM 0 H GLY A 17 15.149 -22.861 19.021 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.957 -23.886 17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.279 -25.424 17.612 1.00 0.00 H new ATOM 277 N SER A 18 12.917 -23.431 17.141 1.00 0.00 N ATOM 278 CA SER A 18 11.743 -23.093 16.405 1.00 0.00 C ATOM 279 C SER A 18 11.947 -21.746 15.724 1.00 0.00 C ATOM 280 O SER A 18 12.597 -20.866 16.282 1.00 0.00 O ATOM 281 CB SER A 18 10.572 -23.065 17.384 1.00 0.00 C ATOM 282 OG SER A 18 10.937 -22.338 18.560 1.00 0.00 O ATOM 0 H SER A 18 12.921 -23.075 18.097 1.00 0.00 H new ATOM 0 HA SER A 18 11.534 -23.825 15.624 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.705 -22.601 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.285 -24.082 17.650 1.00 0.00 H new ATOM 0 HG SER A 18 10.181 -22.323 19.183 1.00 0.00 H new ATOM 288 N ASP A 19 11.452 -21.593 14.525 1.00 0.00 N ATOM 289 CA ASP A 19 11.591 -20.364 13.824 1.00 0.00 C ATOM 290 C ASP A 19 10.258 -19.870 13.306 1.00 0.00 C ATOM 291 O ASP A 19 9.325 -20.649 13.098 1.00 0.00 O ATOM 292 CB ASP A 19 12.640 -20.460 12.701 1.00 0.00 C ATOM 293 CG ASP A 19 12.367 -21.511 11.641 1.00 0.00 C ATOM 294 OD1 ASP A 19 12.796 -22.675 11.808 1.00 0.00 O ATOM 295 OD2 ASP A 19 11.771 -21.186 10.592 1.00 0.00 O ATOM 0 H ASP A 19 10.945 -22.318 14.017 1.00 0.00 H new ATOM 0 HA ASP A 19 11.957 -19.625 14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.715 -19.488 12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.611 -20.667 13.151 1.00 0.00 H new ATOM 300 N ILE A 20 10.173 -18.585 13.124 1.00 0.00 N ATOM 301 CA ILE A 20 8.971 -17.925 12.655 1.00 0.00 C ATOM 302 C ILE A 20 9.193 -17.524 11.209 1.00 0.00 C ATOM 303 O ILE A 20 10.297 -17.138 10.859 1.00 0.00 O ATOM 304 CB ILE A 20 8.667 -16.648 13.507 1.00 0.00 C ATOM 305 CG1 ILE A 20 8.527 -17.019 14.997 1.00 0.00 C ATOM 306 CG2 ILE A 20 7.396 -15.942 13.010 1.00 0.00 C ATOM 307 CD1 ILE A 20 8.274 -15.832 15.916 1.00 0.00 C ATOM 0 H ILE A 20 10.948 -17.946 13.299 1.00 0.00 H new ATOM 0 HA ILE A 20 8.123 -18.603 12.747 1.00 0.00 H new ATOM 0 HB ILE A 20 9.503 -15.958 13.393 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.708 -17.730 15.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.436 -17.527 15.320 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.209 -15.058 13.620 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.528 -15.644 11.970 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.548 -16.622 13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.188 -16.181 16.945 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.103 -15.129 15.839 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.349 -15.335 15.623 1.00 0.00 H new ATOM 319 N GLY A 21 8.152 -17.664 10.385 1.00 0.00 N ATOM 320 CA GLY A 21 8.225 -17.354 8.960 1.00 0.00 C ATOM 321 C GLY A 21 8.849 -15.994 8.639 1.00 0.00 C ATOM 322 O GLY A 21 8.563 -14.997 9.310 1.00 0.00 O ATOM 0 H GLY A 21 7.236 -17.995 10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.803 -18.132 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.219 -17.386 8.542 1.00 0.00 H new ATOM 326 N PRO A 22 9.701 -15.940 7.601 1.00 0.00 N ATOM 327 CA PRO A 22 10.419 -14.723 7.213 1.00 0.00 C ATOM 328 C PRO A 22 9.515 -13.605 6.708 1.00 0.00 C ATOM 329 O PRO A 22 8.477 -13.847 6.070 1.00 0.00 O ATOM 330 CB PRO A 22 11.355 -15.186 6.104 1.00 0.00 C ATOM 331 CG PRO A 22 10.719 -16.414 5.555 1.00 0.00 C ATOM 332 CD PRO A 22 10.033 -17.073 6.713 1.00 0.00 C ATOM 0 HA PRO A 22 10.927 -14.289 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.466 -14.421 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.352 -15.396 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.007 -16.167 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.464 -17.076 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.140 -17.612 6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.683 -17.795 7.208 1.00 0.00 H new ATOM 340 N LYS A 23 9.914 -12.397 6.997 1.00 0.00 N ATOM 341 CA LYS A 23 9.202 -11.204 6.585 1.00 0.00 C ATOM 342 C LYS A 23 10.160 -10.192 6.134 1.00 0.00 C ATOM 343 O LYS A 23 11.337 -10.286 6.432 1.00 0.00 O ATOM 344 CB LYS A 23 8.374 -10.609 7.702 1.00 0.00 C ATOM 345 CG LYS A 23 7.189 -11.428 8.087 1.00 0.00 C ATOM 346 CD LYS A 23 6.418 -10.794 9.227 1.00 0.00 C ATOM 347 CE LYS A 23 5.914 -9.413 8.836 1.00 0.00 C ATOM 348 NZ LYS A 23 5.114 -8.788 9.894 1.00 0.00 N ATOM 0 H LYS A 23 10.758 -12.203 7.535 1.00 0.00 H new ATOM 0 HA LYS A 23 8.529 -11.498 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.009 -10.475 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.034 -9.618 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.533 -11.547 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.515 -12.426 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.576 -11.430 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.058 -10.717 10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.764 -8.772 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.314 -9.492 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.374 -8.196 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.672 -9.527 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.728 -8.197 10.490 1.00 0.00 H new ATOM 362 N ALA A 24 9.669 -9.224 5.449 1.00 0.00 N ATOM 363 CA ALA A 24 10.516 -8.168 4.941 1.00 0.00 C ATOM 364 C ALA A 24 10.614 -7.041 5.943 1.00 0.00 C ATOM 365 O ALA A 24 9.604 -6.475 6.364 1.00 0.00 O ATOM 366 CB ALA A 24 10.022 -7.648 3.596 1.00 0.00 C ATOM 0 H ALA A 24 8.680 -9.127 5.218 1.00 0.00 H new ATOM 0 HA ALA A 24 11.510 -8.587 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.684 -6.856 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.016 -8.462 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.012 -7.254 3.707 1.00 0.00 H new ATOM 372 N PHE A 25 11.812 -6.735 6.320 1.00 0.00 N ATOM 373 CA PHE A 25 12.099 -5.670 7.226 1.00 0.00 C ATOM 374 C PHE A 25 12.913 -4.661 6.486 1.00 0.00 C ATOM 375 O PHE A 25 13.934 -5.014 5.873 1.00 0.00 O ATOM 376 CB PHE A 25 12.945 -6.160 8.406 1.00 0.00 C ATOM 377 CG PHE A 25 12.349 -7.265 9.205 1.00 0.00 C ATOM 378 CD1 PHE A 25 12.441 -8.558 8.765 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.721 -7.017 10.406 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.926 -9.590 9.491 1.00 0.00 C ATOM 381 CE2 PHE A 25 11.197 -8.058 11.140 1.00 0.00 C ATOM 382 CZ PHE A 25 11.308 -9.349 10.669 1.00 0.00 C ATOM 0 H PHE A 25 12.642 -7.233 5.998 1.00 0.00 H new ATOM 0 HA PHE A 25 11.161 -5.262 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.912 -6.490 8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.135 -5.316 9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.931 -8.764 7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.639 -6.004 10.773 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.012 -10.602 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.702 -7.864 12.080 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.901 -10.169 11.242 1.00 0.00 H new ATOM 392 N PRO A 26 12.481 -3.424 6.447 1.00 0.00 N ATOM 393 CA PRO A 26 13.286 -2.371 5.874 1.00 0.00 C ATOM 394 C PRO A 26 14.583 -2.217 6.658 1.00 0.00 C ATOM 395 O PRO A 26 14.597 -2.388 7.887 1.00 0.00 O ATOM 396 CB PRO A 26 12.423 -1.120 6.046 1.00 0.00 C ATOM 397 CG PRO A 26 11.033 -1.634 6.166 1.00 0.00 C ATOM 398 CD PRO A 26 11.156 -2.944 6.890 1.00 0.00 C ATOM 0 HA PRO A 26 13.560 -2.563 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.715 -0.556 6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.525 -0.448 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.402 -0.937 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.577 -1.768 5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.110 -2.817 7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.360 -3.636 6.616 1.00 0.00 H new ATOM 406 N ASP A 27 15.644 -1.882 5.968 1.00 0.00 N ATOM 407 CA ASP A 27 16.950 -1.726 6.590 1.00 0.00 C ATOM 408 C ASP A 27 16.958 -0.564 7.578 1.00 0.00 C ATOM 409 O ASP A 27 17.592 -0.633 8.623 1.00 0.00 O ATOM 410 CB ASP A 27 18.062 -1.564 5.526 1.00 0.00 C ATOM 411 CG ASP A 27 17.880 -0.353 4.622 1.00 0.00 C ATOM 412 OD1 ASP A 27 17.089 -0.438 3.649 1.00 0.00 O ATOM 413 OD2 ASP A 27 18.520 0.692 4.857 1.00 0.00 O ATOM 0 H ASP A 27 15.635 -1.709 4.963 1.00 0.00 H new ATOM 0 HA ASP A 27 17.159 -2.637 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 27 19.025 -1.487 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.096 -2.463 4.910 1.00 0.00 H new ATOM 418 N ALA A 28 16.187 0.460 7.288 1.00 0.00 N ATOM 419 CA ALA A 28 16.162 1.654 8.122 1.00 0.00 C ATOM 420 C ALA A 28 15.291 1.479 9.372 1.00 0.00 C ATOM 421 O ALA A 28 15.139 2.412 10.166 1.00 0.00 O ATOM 422 CB ALA A 28 15.699 2.846 7.312 1.00 0.00 C ATOM 0 H ALA A 28 15.565 0.496 6.480 1.00 0.00 H new ATOM 0 HA ALA A 28 17.180 1.828 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.684 3.733 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.382 3.007 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.696 2.658 6.928 1.00 0.00 H new ATOM 428 N THR A 29 14.732 0.298 9.547 1.00 0.00 N ATOM 429 CA THR A 29 13.928 -0.002 10.713 1.00 0.00 C ATOM 430 C THR A 29 14.828 -0.100 11.952 1.00 0.00 C ATOM 431 O THR A 29 15.934 -0.644 11.875 1.00 0.00 O ATOM 432 CB THR A 29 13.187 -1.335 10.504 1.00 0.00 C ATOM 433 OG1 THR A 29 12.439 -1.255 9.291 1.00 0.00 O ATOM 434 CG2 THR A 29 12.239 -1.648 11.656 1.00 0.00 C ATOM 0 H THR A 29 14.822 -0.476 8.889 1.00 0.00 H new ATOM 0 HA THR A 29 13.199 0.795 10.861 1.00 0.00 H new ATOM 0 HB THR A 29 13.927 -2.134 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.907 -1.748 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.737 -2.597 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.805 -1.716 12.585 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.496 -0.855 11.741 1.00 0.00 H new ATOM 442 N THR A 30 14.375 0.439 13.064 1.00 0.00 N ATOM 443 CA THR A 30 15.135 0.387 14.286 1.00 0.00 C ATOM 444 C THR A 30 14.950 -0.962 14.970 1.00 0.00 C ATOM 445 O THR A 30 13.949 -1.649 14.744 1.00 0.00 O ATOM 446 CB THR A 30 14.714 1.517 15.250 1.00 0.00 C ATOM 447 OG1 THR A 30 13.308 1.426 15.511 1.00 0.00 O ATOM 448 CG2 THR A 30 15.037 2.883 14.659 1.00 0.00 C ATOM 0 H THR A 30 13.479 0.920 13.143 1.00 0.00 H new ATOM 0 HA THR A 30 16.186 0.521 14.030 1.00 0.00 H new ATOM 0 HB THR A 30 15.270 1.403 16.180 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.042 2.143 16.124 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.731 3.663 15.357 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.109 2.957 14.479 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.502 3.008 13.718 1.00 0.00 H new ATOM 456 N VAL A 31 15.904 -1.344 15.794 1.00 0.00 N ATOM 457 CA VAL A 31 15.820 -2.585 16.546 1.00 0.00 C ATOM 458 C VAL A 31 14.659 -2.525 17.553 1.00 0.00 C ATOM 459 O VAL A 31 14.058 -3.547 17.895 1.00 0.00 O ATOM 460 CB VAL A 31 17.167 -2.917 17.244 1.00 0.00 C ATOM 461 CG1 VAL A 31 17.062 -4.168 18.111 1.00 0.00 C ATOM 462 CG2 VAL A 31 18.255 -3.103 16.192 1.00 0.00 C ATOM 0 H VAL A 31 16.756 -0.809 15.963 1.00 0.00 H new ATOM 0 HA VAL A 31 15.617 -3.395 15.846 1.00 0.00 H new ATOM 0 HB VAL A 31 17.422 -2.083 17.898 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.025 -4.366 18.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.306 -4.014 18.881 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.780 -5.018 17.490 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.200 -3.336 16.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.981 -3.921 15.526 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.363 -2.185 15.614 1.00 0.00 H new ATOM 472 N SER A 32 14.323 -1.324 17.989 1.00 0.00 N ATOM 473 CA SER A 32 13.195 -1.135 18.866 1.00 0.00 C ATOM 474 C SER A 32 11.899 -1.511 18.105 1.00 0.00 C ATOM 475 O SER A 32 11.058 -2.256 18.611 1.00 0.00 O ATOM 476 CB SER A 32 13.154 0.320 19.361 1.00 0.00 C ATOM 477 OG SER A 32 12.151 0.520 20.352 1.00 0.00 O ATOM 0 H SER A 32 14.820 -0.467 17.746 1.00 0.00 H new ATOM 0 HA SER A 32 13.286 -1.779 19.741 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.127 0.591 19.771 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.967 0.984 18.517 1.00 0.00 H new ATOM 0 HG SER A 32 12.159 1.456 20.641 1.00 0.00 H new ATOM 483 N ALA A 33 11.786 -1.039 16.854 1.00 0.00 N ATOM 484 CA ALA A 33 10.632 -1.350 16.006 1.00 0.00 C ATOM 485 C ALA A 33 10.671 -2.816 15.570 1.00 0.00 C ATOM 486 O ALA A 33 9.634 -3.436 15.311 1.00 0.00 O ATOM 487 CB ALA A 33 10.595 -0.431 14.797 1.00 0.00 C ATOM 0 H ALA A 33 12.482 -0.440 16.410 1.00 0.00 H new ATOM 0 HA ALA A 33 9.723 -1.187 16.585 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.731 -0.677 14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.520 0.604 15.129 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.507 -0.560 14.214 1.00 0.00 H new ATOM 493 N LEU A 34 11.874 -3.366 15.504 1.00 0.00 N ATOM 494 CA LEU A 34 12.095 -4.732 15.201 1.00 0.00 C ATOM 495 C LEU A 34 11.463 -5.589 16.295 1.00 0.00 C ATOM 496 O LEU A 34 10.768 -6.559 16.015 1.00 0.00 O ATOM 497 CB LEU A 34 13.601 -4.954 15.122 1.00 0.00 C ATOM 498 CG LEU A 34 14.075 -6.360 14.956 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.584 -6.964 13.650 1.00 0.00 C ATOM 500 CD2 LEU A 34 15.580 -6.438 15.064 1.00 0.00 C ATOM 0 H LEU A 34 12.733 -2.842 15.668 1.00 0.00 H new ATOM 0 HA LEU A 34 11.642 -5.011 14.249 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.986 -4.367 14.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.050 -4.551 16.030 1.00 0.00 H new ATOM 0 HG LEU A 34 13.649 -6.951 15.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.948 -7.988 13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.494 -6.964 13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.957 -6.374 12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.901 -7.472 14.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.033 -5.822 14.287 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.894 -6.076 16.043 1.00 0.00 H new ATOM 512 N LYS A 35 11.679 -5.190 17.541 1.00 0.00 N ATOM 513 CA LYS A 35 11.082 -5.866 18.668 1.00 0.00 C ATOM 514 C LYS A 35 9.576 -5.672 18.696 1.00 0.00 C ATOM 515 O LYS A 35 8.847 -6.589 19.046 1.00 0.00 O ATOM 516 CB LYS A 35 11.713 -5.435 19.965 1.00 0.00 C ATOM 517 CG LYS A 35 13.151 -5.866 20.118 1.00 0.00 C ATOM 518 CD LYS A 35 13.721 -5.414 21.440 1.00 0.00 C ATOM 519 CE LYS A 35 15.136 -5.903 21.637 1.00 0.00 C ATOM 520 NZ LYS A 35 15.675 -5.489 22.952 1.00 0.00 N ATOM 0 H LYS A 35 12.268 -4.396 17.790 1.00 0.00 H new ATOM 0 HA LYS A 35 11.274 -6.932 18.548 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.659 -4.349 20.041 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.132 -5.841 20.793 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.218 -6.951 20.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.745 -5.453 19.303 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.702 -4.325 21.491 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.093 -5.782 22.251 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.161 -6.990 21.558 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.771 -5.511 20.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.501 -6.075 23.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.959 -4.489 22.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.944 -5.612 23.681 1.00 0.00 H new ATOM 534 N GLU A 36 9.110 -4.478 18.316 1.00 0.00 N ATOM 535 CA GLU A 36 7.679 -4.231 18.168 1.00 0.00 C ATOM 536 C GLU A 36 7.091 -5.194 17.128 1.00 0.00 C ATOM 537 O GLU A 36 5.961 -5.675 17.265 1.00 0.00 O ATOM 538 CB GLU A 36 7.410 -2.781 17.757 1.00 0.00 C ATOM 539 CG GLU A 36 7.699 -1.730 18.825 1.00 0.00 C ATOM 540 CD GLU A 36 6.821 -1.869 20.063 1.00 0.00 C ATOM 541 OE1 GLU A 36 5.578 -1.959 19.917 1.00 0.00 O ATOM 542 OE2 GLU A 36 7.348 -1.825 21.188 1.00 0.00 O ATOM 0 H GLU A 36 9.702 -3.674 18.107 1.00 0.00 H new ATOM 0 HA GLU A 36 7.198 -4.402 19.131 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.011 -2.554 16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.365 -2.694 17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.746 -1.801 19.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.556 -0.738 18.396 1.00 0.00 H new ATOM 549 N THR A 37 7.872 -5.480 16.100 1.00 0.00 N ATOM 550 CA THR A 37 7.490 -6.429 15.083 1.00 0.00 C ATOM 551 C THR A 37 7.417 -7.836 15.683 1.00 0.00 C ATOM 552 O THR A 37 6.501 -8.600 15.377 1.00 0.00 O ATOM 553 CB THR A 37 8.477 -6.392 13.889 1.00 0.00 C ATOM 554 OG1 THR A 37 8.481 -5.072 13.323 1.00 0.00 O ATOM 555 CG2 THR A 37 8.082 -7.394 12.809 1.00 0.00 C ATOM 0 H THR A 37 8.788 -5.057 15.952 1.00 0.00 H new ATOM 0 HA THR A 37 6.504 -6.155 14.706 1.00 0.00 H new ATOM 0 HB THR A 37 9.468 -6.656 14.257 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.870 -4.442 13.965 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.795 -7.342 11.986 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.084 -8.400 13.228 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.084 -7.157 12.440 1.00 0.00 H new ATOM 563 N VAL A 38 8.357 -8.150 16.569 1.00 0.00 N ATOM 564 CA VAL A 38 8.361 -9.433 17.244 1.00 0.00 C ATOM 565 C VAL A 38 7.089 -9.573 18.063 1.00 0.00 C ATOM 566 O VAL A 38 6.435 -10.581 17.993 1.00 0.00 O ATOM 567 CB VAL A 38 9.598 -9.629 18.167 1.00 0.00 C ATOM 568 CG1 VAL A 38 9.553 -11.000 18.835 1.00 0.00 C ATOM 569 CG2 VAL A 38 10.889 -9.472 17.385 1.00 0.00 C ATOM 0 H VAL A 38 9.123 -7.531 16.833 1.00 0.00 H new ATOM 0 HA VAL A 38 8.413 -10.203 16.474 1.00 0.00 H new ATOM 0 HB VAL A 38 9.568 -8.859 18.938 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.426 -11.121 19.477 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.647 -11.083 19.435 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.555 -11.777 18.071 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.739 -9.614 18.053 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.925 -10.216 16.589 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.932 -8.473 16.950 1.00 0.00 H new ATOM 579 N ILE A 39 6.728 -8.511 18.790 1.00 0.00 N ATOM 580 CA ILE A 39 5.496 -8.491 19.615 1.00 0.00 C ATOM 581 C ILE A 39 4.265 -8.794 18.742 1.00 0.00 C ATOM 582 O ILE A 39 3.311 -9.456 19.172 1.00 0.00 O ATOM 583 CB ILE A 39 5.285 -7.096 20.286 1.00 0.00 C ATOM 584 CG1 ILE A 39 6.502 -6.701 21.120 1.00 0.00 C ATOM 585 CG2 ILE A 39 4.031 -7.097 21.165 1.00 0.00 C ATOM 586 CD1 ILE A 39 6.367 -5.347 21.789 1.00 0.00 C ATOM 0 H ILE A 39 7.268 -7.646 18.830 1.00 0.00 H new ATOM 0 HA ILE A 39 5.612 -9.251 20.388 1.00 0.00 H new ATOM 0 HB ILE A 39 5.155 -6.364 19.489 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.669 -7.459 21.885 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.384 -6.694 20.480 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.906 -6.115 21.621 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.158 -7.327 20.554 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.135 -7.849 21.947 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.268 -5.134 22.364 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.230 -4.578 21.029 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.505 -5.355 22.456 1.00 0.00 H new ATOM 598 N SER A 40 4.311 -8.319 17.517 1.00 0.00 N ATOM 599 CA SER A 40 3.234 -8.494 16.595 1.00 0.00 C ATOM 600 C SER A 40 3.150 -9.948 16.106 1.00 0.00 C ATOM 601 O SER A 40 2.051 -10.483 15.934 1.00 0.00 O ATOM 602 CB SER A 40 3.380 -7.526 15.410 1.00 0.00 C ATOM 603 OG SER A 40 2.267 -7.601 14.521 1.00 0.00 O ATOM 0 H SER A 40 5.104 -7.800 17.140 1.00 0.00 H new ATOM 0 HA SER A 40 2.303 -8.267 17.115 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.478 -6.507 15.784 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.296 -7.755 14.865 1.00 0.00 H new ATOM 0 HG SER A 40 2.396 -6.970 13.782 1.00 0.00 H new ATOM 609 N GLU A 41 4.295 -10.580 15.899 1.00 0.00 N ATOM 610 CA GLU A 41 4.347 -11.912 15.374 1.00 0.00 C ATOM 611 C GLU A 41 4.263 -12.979 16.483 1.00 0.00 C ATOM 612 O GLU A 41 3.682 -14.043 16.286 1.00 0.00 O ATOM 613 CB GLU A 41 5.649 -12.092 14.611 1.00 0.00 C ATOM 614 CG GLU A 41 5.897 -11.091 13.485 1.00 0.00 C ATOM 615 CD GLU A 41 4.778 -11.025 12.476 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.480 -12.048 11.830 1.00 0.00 O ATOM 617 OE2 GLU A 41 4.173 -9.930 12.317 1.00 0.00 O ATOM 0 H GLU A 41 5.209 -10.172 16.095 1.00 0.00 H new ATOM 0 HA GLU A 41 3.487 -12.046 14.718 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.476 -12.028 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.667 -13.097 14.190 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.044 -10.101 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.822 -11.356 12.972 1.00 0.00 H new ATOM 624 N TRP A 42 4.847 -12.675 17.622 1.00 0.00 N ATOM 625 CA TRP A 42 4.962 -13.593 18.750 1.00 0.00 C ATOM 626 C TRP A 42 3.580 -13.954 19.286 1.00 0.00 C ATOM 627 O TRP A 42 2.689 -13.085 19.357 1.00 0.00 O ATOM 628 CB TRP A 42 5.784 -12.906 19.861 1.00 0.00 C ATOM 629 CG TRP A 42 6.286 -13.795 20.971 1.00 0.00 C ATOM 630 CD1 TRP A 42 5.682 -14.081 22.169 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.528 -14.499 20.977 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.496 -14.897 22.918 1.00 0.00 N ATOM 633 CE2 TRP A 42 7.624 -15.177 22.203 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.572 -14.616 20.057 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.721 -15.959 22.532 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.657 -15.394 20.384 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.723 -16.056 21.610 1.00 0.00 C ATOM 0 H TRP A 42 5.267 -11.763 17.800 1.00 0.00 H new ATOM 0 HA TRP A 42 5.456 -14.508 18.424 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.643 -12.419 19.399 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.171 -12.120 20.303 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.712 -13.719 22.477 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.290 -15.238 23.857 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.528 -14.105 19.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.780 -16.471 23.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 10.471 -15.494 19.681 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.589 -16.661 21.836 1.00 0.00 H new ATOM 648 N PRO A 43 3.350 -15.241 19.608 1.00 0.00 N ATOM 649 CA PRO A 43 2.126 -15.664 20.250 1.00 0.00 C ATOM 650 C PRO A 43 1.992 -14.992 21.612 1.00 0.00 C ATOM 651 O PRO A 43 2.707 -15.310 22.554 1.00 0.00 O ATOM 652 CB PRO A 43 2.277 -17.179 20.402 1.00 0.00 C ATOM 653 CG PRO A 43 3.314 -17.557 19.407 1.00 0.00 C ATOM 654 CD PRO A 43 4.243 -16.379 19.328 1.00 0.00 C ATOM 0 HA PRO A 43 1.236 -15.397 19.681 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.583 -17.447 21.413 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.335 -17.692 20.207 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.846 -18.456 19.717 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.867 -17.770 18.436 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.049 -16.450 20.058 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.709 -16.296 18.346 1.00 0.00 H new ATOM 662 N ARG A 44 1.086 -14.060 21.687 1.00 0.00 N ATOM 663 CA ARG A 44 0.887 -13.231 22.865 1.00 0.00 C ATOM 664 C ARG A 44 0.247 -14.048 23.982 1.00 0.00 C ATOM 665 O ARG A 44 0.366 -13.732 25.163 1.00 0.00 O ATOM 666 CB ARG A 44 0.037 -12.026 22.470 1.00 0.00 C ATOM 667 CG ARG A 44 0.631 -11.307 21.266 1.00 0.00 C ATOM 668 CD ARG A 44 -0.238 -10.189 20.733 1.00 0.00 C ATOM 669 NE ARG A 44 0.267 -9.729 19.430 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.336 -8.840 18.634 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.350 -8.119 19.079 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.102 -8.659 17.393 1.00 0.00 N ATOM 0 H ARG A 44 0.447 -13.842 20.922 1.00 0.00 H new ATOM 0 HA ARG A 44 1.842 -12.871 23.247 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.977 -12.352 22.239 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.034 -11.336 23.311 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.603 -10.899 21.542 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.803 -12.032 20.470 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.266 -10.535 20.631 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.250 -9.359 21.440 1.00 0.00 H new ATOM 0 HE ARG A 44 1.151 -10.121 19.107 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.679 -8.238 20.037 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.804 -7.443 18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.897 -9.198 17.049 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.357 -7.981 16.784 1.00 0.00 H new ATOM 686 N GLU A 45 -0.411 -15.106 23.587 1.00 0.00 N ATOM 687 CA GLU A 45 -1.050 -16.023 24.502 1.00 0.00 C ATOM 688 C GLU A 45 -0.003 -16.983 25.123 1.00 0.00 C ATOM 689 O GLU A 45 -0.282 -17.669 26.104 1.00 0.00 O ATOM 690 CB GLU A 45 -2.124 -16.799 23.728 1.00 0.00 C ATOM 691 CG GLU A 45 -2.927 -17.810 24.521 1.00 0.00 C ATOM 692 CD GLU A 45 -3.967 -18.485 23.669 1.00 0.00 C ATOM 693 OE1 GLU A 45 -3.635 -19.454 22.945 1.00 0.00 O ATOM 694 OE2 GLU A 45 -5.131 -18.052 23.691 1.00 0.00 O ATOM 0 H GLU A 45 -0.521 -15.361 22.606 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.515 -15.477 25.323 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.817 -16.080 23.291 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.640 -17.319 22.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.256 -18.560 24.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.412 -17.312 25.361 1.00 0.00 H new ATOM 701 N LYS A 46 1.211 -16.988 24.567 1.00 0.00 N ATOM 702 CA LYS A 46 2.260 -17.891 25.031 1.00 0.00 C ATOM 703 C LYS A 46 2.704 -17.534 26.446 1.00 0.00 C ATOM 704 O LYS A 46 2.928 -16.352 26.764 1.00 0.00 O ATOM 705 CB LYS A 46 3.486 -17.826 24.132 1.00 0.00 C ATOM 706 CG LYS A 46 4.430 -18.982 24.354 1.00 0.00 C ATOM 707 CD LYS A 46 5.679 -18.881 23.519 1.00 0.00 C ATOM 708 CE LYS A 46 6.523 -20.122 23.699 1.00 0.00 C ATOM 709 NZ LYS A 46 6.853 -20.370 25.127 1.00 0.00 N ATOM 0 H LYS A 46 1.489 -16.378 23.798 1.00 0.00 H new ATOM 0 HA LYS A 46 1.836 -18.895 25.010 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.168 -17.817 23.090 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.015 -16.890 24.312 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.705 -19.024 25.408 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.917 -19.915 24.121 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.415 -18.760 22.468 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.249 -17.998 23.808 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.991 -20.984 23.295 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.445 -20.019 23.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.614 -21.076 25.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.166 -19.483 25.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.010 -20.725 25.621 1.00 0.00 H new ATOM 723 N GLU A 47 2.827 -18.526 27.274 1.00 0.00 N ATOM 724 CA GLU A 47 3.310 -18.362 28.597 1.00 0.00 C ATOM 725 C GLU A 47 4.747 -18.849 28.647 1.00 0.00 C ATOM 726 O GLU A 47 5.260 -19.384 27.643 1.00 0.00 O ATOM 727 CB GLU A 47 2.452 -19.122 29.638 1.00 0.00 C ATOM 728 CG GLU A 47 2.428 -20.653 29.494 1.00 0.00 C ATOM 729 CD GLU A 47 1.752 -21.129 28.241 1.00 0.00 C ATOM 730 OE1 GLU A 47 2.414 -21.222 27.190 1.00 0.00 O ATOM 731 OE2 GLU A 47 0.544 -21.402 28.291 1.00 0.00 O ATOM 0 H GLU A 47 2.588 -19.489 27.037 1.00 0.00 H new ATOM 0 HA GLU A 47 3.251 -17.305 28.857 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.820 -18.875 30.634 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.428 -18.754 29.576 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.452 -21.027 29.509 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.919 -21.083 30.357 1.00 0.00 H new ATOM 738 N ASN A 48 5.402 -18.650 29.787 1.00 0.00 N ATOM 739 CA ASN A 48 6.798 -19.096 30.012 1.00 0.00 C ATOM 740 C ASN A 48 7.761 -18.522 28.987 1.00 0.00 C ATOM 741 O ASN A 48 8.871 -19.027 28.805 1.00 0.00 O ATOM 742 CB ASN A 48 6.923 -20.629 30.050 1.00 0.00 C ATOM 743 CG ASN A 48 6.242 -21.285 31.240 1.00 0.00 C ATOM 744 OD1 ASN A 48 5.240 -20.804 31.763 1.00 0.00 O ATOM 745 ND2 ASN A 48 6.788 -22.386 31.681 1.00 0.00 N ATOM 0 H ASN A 48 4.990 -18.175 30.590 1.00 0.00 H new ATOM 0 HA ASN A 48 7.075 -18.708 30.992 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.499 -21.039 29.133 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.980 -20.895 30.060 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.382 -22.871 32.481 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.620 -22.761 31.225 1.00 0.00 H new ATOM 752 N GLY A 49 7.354 -17.465 28.349 1.00 0.00 N ATOM 753 CA GLY A 49 8.146 -16.850 27.370 1.00 0.00 C ATOM 754 C GLY A 49 7.754 -15.420 27.208 1.00 0.00 C ATOM 755 O GLY A 49 6.754 -14.992 27.796 1.00 0.00 O ATOM 0 H GLY A 49 6.453 -17.015 28.507 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.198 -16.916 27.649 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.035 -17.374 26.421 1.00 0.00 H new ATOM 759 N PRO A 50 8.551 -14.651 26.469 1.00 0.00 N ATOM 760 CA PRO A 50 8.290 -13.235 26.147 1.00 0.00 C ATOM 761 C PRO A 50 6.891 -12.915 25.594 1.00 0.00 C ATOM 762 O PRO A 50 6.015 -13.780 25.455 1.00 0.00 O ATOM 763 CB PRO A 50 9.297 -12.983 25.039 1.00 0.00 C ATOM 764 CG PRO A 50 10.450 -13.812 25.411 1.00 0.00 C ATOM 765 CD PRO A 50 9.853 -15.084 25.922 1.00 0.00 C ATOM 0 HA PRO A 50 8.362 -12.628 27.050 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.898 -13.268 24.065 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.567 -11.929 24.977 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.099 -13.995 24.555 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.058 -13.325 26.174 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.731 -15.819 25.127 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.479 -15.543 26.687 1.00 0.00 H new ATOM 773 N LYS A 51 6.731 -11.655 25.272 1.00 0.00 N ATOM 774 CA LYS A 51 5.545 -11.108 24.663 1.00 0.00 C ATOM 775 C LYS A 51 5.874 -9.713 24.194 1.00 0.00 C ATOM 776 O LYS A 51 5.546 -9.319 23.091 1.00 0.00 O ATOM 777 CB LYS A 51 4.376 -11.014 25.656 1.00 0.00 C ATOM 778 CG LYS A 51 3.101 -10.487 25.004 1.00 0.00 C ATOM 779 CD LYS A 51 1.998 -10.194 26.005 1.00 0.00 C ATOM 780 CE LYS A 51 1.554 -11.420 26.781 1.00 0.00 C ATOM 781 NZ LYS A 51 0.429 -11.107 27.687 1.00 0.00 N ATOM 0 H LYS A 51 7.454 -10.954 25.434 1.00 0.00 H new ATOM 0 HA LYS A 51 5.242 -11.762 23.845 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.183 -11.999 26.081 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.656 -10.360 26.482 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.332 -9.577 24.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.741 -11.218 24.280 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.344 -9.434 26.706 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.140 -9.775 25.479 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.255 -12.204 26.085 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.392 -11.809 27.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.149 -11.966 28.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.723 -10.376 28.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.378 -10.759 27.131 1.00 0.00 H new ATOM 795 N THR A 52 6.553 -8.974 25.057 1.00 0.00 N ATOM 796 CA THR A 52 6.852 -7.600 24.796 1.00 0.00 C ATOM 797 C THR A 52 8.347 -7.338 24.489 1.00 0.00 C ATOM 798 O THR A 52 9.205 -8.212 24.664 1.00 0.00 O ATOM 799 CB THR A 52 6.364 -6.714 25.955 1.00 0.00 C ATOM 800 OG1 THR A 52 6.978 -7.138 27.183 1.00 0.00 O ATOM 801 CG2 THR A 52 4.852 -6.815 26.095 1.00 0.00 C ATOM 0 H THR A 52 6.905 -9.320 25.950 1.00 0.00 H new ATOM 0 HA THR A 52 6.311 -7.335 23.888 1.00 0.00 H new ATOM 0 HB THR A 52 6.638 -5.681 25.742 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.666 -6.570 27.918 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.520 -6.183 26.919 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.378 -6.485 25.171 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.574 -7.849 26.296 1.00 0.00 H new ATOM 809 N VAL A 53 8.615 -6.107 24.073 1.00 0.00 N ATOM 810 CA VAL A 53 9.914 -5.604 23.605 1.00 0.00 C ATOM 811 C VAL A 53 11.032 -5.733 24.649 1.00 0.00 C ATOM 812 O VAL A 53 12.194 -5.965 24.307 1.00 0.00 O ATOM 813 CB VAL A 53 9.758 -4.101 23.133 1.00 0.00 C ATOM 814 CG1 VAL A 53 9.118 -3.258 24.213 1.00 0.00 C ATOM 815 CG2 VAL A 53 11.081 -3.476 22.736 1.00 0.00 C ATOM 0 H VAL A 53 7.894 -5.386 24.049 1.00 0.00 H new ATOM 0 HA VAL A 53 10.218 -6.230 22.766 1.00 0.00 H new ATOM 0 HB VAL A 53 9.115 -4.125 22.253 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.022 -2.230 23.863 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.130 -3.655 24.447 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.739 -3.280 25.108 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.917 -2.446 22.421 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.761 -3.491 23.588 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.518 -4.042 21.913 1.00 0.00 H new ATOM 825 N LYS A 54 10.685 -5.601 25.899 1.00 0.00 N ATOM 826 CA LYS A 54 11.661 -5.644 26.967 1.00 0.00 C ATOM 827 C LYS A 54 12.226 -7.060 27.168 1.00 0.00 C ATOM 828 O LYS A 54 13.380 -7.227 27.575 1.00 0.00 O ATOM 829 CB LYS A 54 11.018 -5.129 28.266 1.00 0.00 C ATOM 830 CG LYS A 54 11.945 -5.059 29.470 1.00 0.00 C ATOM 831 CD LYS A 54 13.091 -4.094 29.238 1.00 0.00 C ATOM 832 CE LYS A 54 14.010 -4.045 30.439 1.00 0.00 C ATOM 833 NZ LYS A 54 15.128 -3.105 30.242 1.00 0.00 N ATOM 0 H LYS A 54 9.724 -5.461 26.212 1.00 0.00 H new ATOM 0 HA LYS A 54 12.498 -5.002 26.693 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.614 -4.134 28.082 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.175 -5.774 28.515 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.379 -4.748 30.348 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.342 -6.052 29.682 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.655 -4.399 28.356 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.697 -3.098 29.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.440 -3.750 31.320 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.405 -5.042 30.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.733 -3.102 31.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.688 -3.400 29.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.753 -2.148 30.082 1.00 0.00 H new ATOM 847 N GLU A 55 11.439 -8.066 26.835 1.00 0.00 N ATOM 848 CA GLU A 55 11.830 -9.444 27.150 1.00 0.00 C ATOM 849 C GLU A 55 12.465 -10.183 25.956 1.00 0.00 C ATOM 850 O GLU A 55 13.017 -11.276 26.113 1.00 0.00 O ATOM 851 CB GLU A 55 10.627 -10.225 27.676 1.00 0.00 C ATOM 852 CG GLU A 55 9.931 -9.574 28.871 1.00 0.00 C ATOM 853 CD GLU A 55 10.854 -9.320 30.046 1.00 0.00 C ATOM 854 OE1 GLU A 55 11.243 -10.268 30.728 1.00 0.00 O ATOM 855 OE2 GLU A 55 11.202 -8.152 30.302 1.00 0.00 O ATOM 0 H GLU A 55 10.543 -7.969 26.357 1.00 0.00 H new ATOM 0 HA GLU A 55 12.598 -9.383 27.921 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.904 -10.343 26.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.954 -11.225 27.961 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.491 -8.628 28.554 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.111 -10.214 29.196 1.00 0.00 H new ATOM 862 N VAL A 56 12.395 -9.590 24.789 1.00 0.00 N ATOM 863 CA VAL A 56 12.930 -10.212 23.576 1.00 0.00 C ATOM 864 C VAL A 56 14.298 -9.625 23.244 1.00 0.00 C ATOM 865 O VAL A 56 14.448 -8.409 23.171 1.00 0.00 O ATOM 866 CB VAL A 56 11.986 -9.963 22.366 1.00 0.00 C ATOM 867 CG1 VAL A 56 12.562 -10.565 21.095 1.00 0.00 C ATOM 868 CG2 VAL A 56 10.599 -10.524 22.636 1.00 0.00 C ATOM 0 H VAL A 56 11.973 -8.673 24.641 1.00 0.00 H new ATOM 0 HA VAL A 56 13.013 -11.283 23.761 1.00 0.00 H new ATOM 0 HB VAL A 56 11.900 -8.885 22.227 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.883 -10.377 20.263 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.530 -10.110 20.883 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.687 -11.640 21.226 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.957 -10.337 21.775 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.668 -11.598 22.811 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.176 -10.040 23.516 1.00 0.00 H new ATOM 878 N LYS A 57 15.296 -10.476 23.093 1.00 0.00 N ATOM 879 CA LYS A 57 16.612 -10.041 22.697 1.00 0.00 C ATOM 880 C LYS A 57 16.982 -10.629 21.340 1.00 0.00 C ATOM 881 O LYS A 57 16.795 -11.816 21.109 1.00 0.00 O ATOM 882 CB LYS A 57 17.680 -10.392 23.750 1.00 0.00 C ATOM 883 CG LYS A 57 17.565 -9.641 25.080 1.00 0.00 C ATOM 884 CD LYS A 57 16.365 -10.075 25.908 1.00 0.00 C ATOM 885 CE LYS A 57 16.188 -9.194 27.127 1.00 0.00 C ATOM 886 NZ LYS A 57 17.400 -9.151 27.969 1.00 0.00 N ATOM 0 H LYS A 57 15.213 -11.482 23.242 1.00 0.00 H new ATOM 0 HA LYS A 57 16.585 -8.954 22.616 1.00 0.00 H new ATOM 0 HB2 LYS A 57 17.629 -11.462 23.951 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.664 -10.194 23.325 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.475 -9.799 25.659 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.495 -8.572 24.882 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.465 -10.036 25.295 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.493 -11.111 26.221 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.934 -8.183 26.808 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.350 -9.561 27.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.176 -8.694 28.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.737 -10.120 28.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 18.142 -8.609 27.482 1.00 0.00 H new ATOM 900 N LEU A 58 17.494 -9.802 20.452 1.00 0.00 N ATOM 901 CA LEU A 58 17.875 -10.245 19.112 1.00 0.00 C ATOM 902 C LEU A 58 19.383 -10.415 19.012 1.00 0.00 C ATOM 903 O LEU A 58 20.140 -9.581 19.506 1.00 0.00 O ATOM 904 CB LEU A 58 17.373 -9.274 17.997 1.00 0.00 C ATOM 905 CG LEU A 58 15.843 -9.146 17.768 1.00 0.00 C ATOM 906 CD1 LEU A 58 15.222 -10.493 17.478 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.145 -8.473 18.932 1.00 0.00 C ATOM 0 H LEU A 58 17.660 -8.811 20.629 1.00 0.00 H new ATOM 0 HA LEU A 58 17.390 -11.208 18.950 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.760 -8.280 18.222 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.825 -9.586 17.056 1.00 0.00 H new ATOM 0 HG LEU A 58 15.706 -8.508 16.895 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.150 -10.373 17.322 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.674 -10.917 16.581 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.393 -11.162 18.321 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.077 -8.406 18.726 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.304 -9.057 19.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.552 -7.471 19.070 1.00 0.00 H new ATOM 919 N ILE A 59 19.799 -11.490 18.386 1.00 0.00 N ATOM 920 CA ILE A 59 21.199 -11.830 18.198 1.00 0.00 C ATOM 921 C ILE A 59 21.553 -11.959 16.728 1.00 0.00 C ATOM 922 O ILE A 59 20.895 -12.679 15.968 1.00 0.00 O ATOM 923 CB ILE A 59 21.543 -13.164 18.928 1.00 0.00 C ATOM 924 CG1 ILE A 59 21.549 -12.972 20.432 1.00 0.00 C ATOM 925 CG2 ILE A 59 22.872 -13.753 18.458 1.00 0.00 C ATOM 926 CD1 ILE A 59 22.703 -12.151 20.944 1.00 0.00 C ATOM 0 H ILE A 59 19.160 -12.174 17.981 1.00 0.00 H new ATOM 0 HA ILE A 59 21.786 -11.017 18.625 1.00 0.00 H new ATOM 0 HB ILE A 59 20.761 -13.878 18.669 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.616 -12.493 20.730 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.572 -13.950 20.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.069 -14.681 18.995 1.00 0.00 H new ATOM 0 HG22 ILE A 59 22.822 -13.956 17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.675 -13.043 18.655 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.633 -12.061 22.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 23.642 -12.638 20.680 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.671 -11.158 20.495 1.00 0.00 H new ATOM 938 N SER A 60 22.577 -11.253 16.341 1.00 0.00 N ATOM 939 CA SER A 60 23.132 -11.348 15.035 1.00 0.00 C ATOM 940 C SER A 60 24.632 -11.281 15.201 1.00 0.00 C ATOM 941 O SER A 60 25.128 -10.376 15.871 1.00 0.00 O ATOM 942 CB SER A 60 22.626 -10.204 14.145 1.00 0.00 C ATOM 943 OG SER A 60 23.103 -10.329 12.812 1.00 0.00 O ATOM 0 H SER A 60 23.055 -10.583 16.943 1.00 0.00 H new ATOM 0 HA SER A 60 22.836 -12.277 14.548 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.536 -10.198 14.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.949 -9.249 14.560 1.00 0.00 H new ATOM 0 HG SER A 60 23.758 -9.622 12.631 1.00 0.00 H new ATOM 949 N ALA A 61 25.344 -12.268 14.647 1.00 0.00 N ATOM 950 CA ALA A 61 26.814 -12.363 14.752 1.00 0.00 C ATOM 951 C ALA A 61 27.242 -12.547 16.215 1.00 0.00 C ATOM 952 O ALA A 61 28.384 -12.265 16.591 1.00 0.00 O ATOM 953 CB ALA A 61 27.489 -11.134 14.124 1.00 0.00 C ATOM 0 H ALA A 61 24.922 -13.027 14.112 1.00 0.00 H new ATOM 0 HA ALA A 61 27.141 -13.241 14.194 1.00 0.00 H new ATOM 0 HB1 ALA A 61 28.571 -11.228 14.214 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.217 -11.068 13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 61 27.159 -10.233 14.641 1.00 0.00 H new ATOM 959 N GLY A 62 26.328 -13.073 17.018 1.00 0.00 N ATOM 960 CA GLY A 62 26.585 -13.270 18.434 1.00 0.00 C ATOM 961 C GLY A 62 26.449 -11.982 19.223 1.00 0.00 C ATOM 962 O GLY A 62 26.797 -11.919 20.397 1.00 0.00 O ATOM 0 H GLY A 62 25.402 -13.371 16.711 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.890 -14.011 18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.589 -13.672 18.567 1.00 0.00 H new ATOM 966 N LYS A 63 25.945 -10.958 18.578 1.00 0.00 N ATOM 967 CA LYS A 63 25.797 -9.668 19.187 1.00 0.00 C ATOM 968 C LYS A 63 24.333 -9.354 19.414 1.00 0.00 C ATOM 969 O LYS A 63 23.508 -9.522 18.509 1.00 0.00 O ATOM 970 CB LYS A 63 26.439 -8.590 18.300 1.00 0.00 C ATOM 971 CG LYS A 63 26.341 -7.176 18.850 1.00 0.00 C ATOM 972 CD LYS A 63 27.043 -7.050 20.193 1.00 0.00 C ATOM 973 CE LYS A 63 26.945 -5.644 20.736 1.00 0.00 C ATOM 974 NZ LYS A 63 27.533 -4.648 19.814 1.00 0.00 N ATOM 0 H LYS A 63 25.626 -11.001 17.610 1.00 0.00 H new ATOM 0 HA LYS A 63 26.302 -9.679 20.153 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.491 -8.837 18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.966 -8.617 17.318 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.783 -6.477 18.140 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.292 -6.899 18.959 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.600 -7.748 20.904 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.091 -7.328 20.085 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.899 -5.398 20.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.454 -5.591 21.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.645 -3.740 20.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.462 -4.982 19.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.905 -4.520 18.995 1.00 0.00 H new ATOM 988 N VAL A 64 24.012 -8.939 20.627 1.00 0.00 N ATOM 989 CA VAL A 64 22.667 -8.513 20.964 1.00 0.00 C ATOM 990 C VAL A 64 22.418 -7.155 20.300 1.00 0.00 C ATOM 991 O VAL A 64 23.160 -6.190 20.557 1.00 0.00 O ATOM 992 CB VAL A 64 22.486 -8.337 22.504 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.055 -7.972 22.840 1.00 0.00 C ATOM 994 CG2 VAL A 64 22.902 -9.578 23.270 1.00 0.00 C ATOM 0 H VAL A 64 24.673 -8.888 21.402 1.00 0.00 H new ATOM 0 HA VAL A 64 21.967 -9.274 20.618 1.00 0.00 H new ATOM 0 HB VAL A 64 23.141 -7.522 22.811 1.00 0.00 H new ATOM 0 HG11 VAL A 64 20.953 -7.855 23.919 1.00 0.00 H new ATOM 0 HG12 VAL A 64 20.793 -7.036 22.347 1.00 0.00 H new ATOM 0 HG13 VAL A 64 20.388 -8.762 22.496 1.00 0.00 H new ATOM 0 HG21 VAL A 64 22.760 -9.411 24.338 1.00 0.00 H new ATOM 0 HG22 VAL A 64 22.293 -10.424 22.950 1.00 0.00 H new ATOM 0 HG23 VAL A 64 23.953 -9.792 23.073 1.00 0.00 H new ATOM 1004 N LEU A 65 21.410 -7.087 19.459 1.00 0.00 N ATOM 1005 CA LEU A 65 21.066 -5.869 18.755 1.00 0.00 C ATOM 1006 C LEU A 65 20.563 -4.794 19.704 1.00 0.00 C ATOM 1007 O LEU A 65 19.697 -5.051 20.555 1.00 0.00 O ATOM 1008 CB LEU A 65 20.038 -6.121 17.637 1.00 0.00 C ATOM 1009 CG LEU A 65 20.510 -6.842 16.355 1.00 0.00 C ATOM 1010 CD1 LEU A 65 20.952 -8.256 16.622 1.00 0.00 C ATOM 1011 CD2 LEU A 65 19.428 -6.810 15.290 1.00 0.00 C ATOM 0 H LEU A 65 20.803 -7.877 19.242 1.00 0.00 H new ATOM 0 HA LEU A 65 21.985 -5.510 18.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.220 -6.702 18.063 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.624 -5.156 17.343 1.00 0.00 H new ATOM 0 HG LEU A 65 21.381 -6.299 15.987 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.274 -8.719 15.689 1.00 0.00 H new ATOM 0 HD12 LEU A 65 21.781 -8.251 17.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.121 -8.824 17.041 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.782 -7.323 14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 65 18.534 -7.308 15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.190 -5.775 15.044 1.00 0.00 H new ATOM 1023 N GLU A 66 21.113 -3.609 19.573 1.00 0.00 N ATOM 1024 CA GLU A 66 20.738 -2.495 20.405 1.00 0.00 C ATOM 1025 C GLU A 66 19.555 -1.761 19.803 1.00 0.00 C ATOM 1026 O GLU A 66 19.557 -1.425 18.620 1.00 0.00 O ATOM 1027 CB GLU A 66 21.915 -1.550 20.625 1.00 0.00 C ATOM 1028 CG GLU A 66 21.611 -0.401 21.578 1.00 0.00 C ATOM 1029 CD GLU A 66 21.118 -0.887 22.922 1.00 0.00 C ATOM 1030 OE1 GLU A 66 21.954 -1.162 23.817 1.00 0.00 O ATOM 1031 OE2 GLU A 66 19.883 -1.001 23.103 1.00 0.00 O ATOM 0 H GLU A 66 21.834 -3.393 18.885 1.00 0.00 H new ATOM 0 HA GLU A 66 20.442 -2.882 21.380 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.758 -2.120 21.015 1.00 0.00 H new ATOM 0 HB3 GLU A 66 22.225 -1.140 19.664 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.510 0.199 21.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.859 0.250 21.131 1.00 0.00 H new ATOM 1038 N ASN A 67 18.584 -1.473 20.655 1.00 0.00 N ATOM 1039 CA ASN A 67 17.291 -0.872 20.287 1.00 0.00 C ATOM 1040 C ASN A 67 17.454 0.452 19.559 1.00 0.00 C ATOM 1041 O ASN A 67 16.633 0.811 18.707 1.00 0.00 O ATOM 1042 CB ASN A 67 16.453 -0.630 21.547 1.00 0.00 C ATOM 1043 CG ASN A 67 16.178 -1.889 22.340 1.00 0.00 C ATOM 1044 OD1 ASN A 67 16.075 -2.975 21.790 1.00 0.00 O ATOM 1045 ND2 ASN A 67 16.070 -1.753 23.632 1.00 0.00 N ATOM 0 H ASN A 67 18.667 -1.653 21.656 1.00 0.00 H new ATOM 0 HA ASN A 67 16.795 -1.574 19.617 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.970 0.086 22.185 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.504 -0.176 21.261 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.894 -2.569 24.218 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.162 -0.830 24.057 1.00 0.00 H new ATOM 1052 N SER A 68 18.517 1.159 19.892 1.00 0.00 N ATOM 1053 CA SER A 68 18.778 2.475 19.352 1.00 0.00 C ATOM 1054 C SER A 68 19.225 2.450 17.899 1.00 0.00 C ATOM 1055 O SER A 68 19.081 3.439 17.175 1.00 0.00 O ATOM 1056 CB SER A 68 19.808 3.183 20.212 1.00 0.00 C ATOM 1057 OG SER A 68 19.374 3.248 21.567 1.00 0.00 O ATOM 0 H SER A 68 19.226 0.833 20.548 1.00 0.00 H new ATOM 0 HA SER A 68 17.835 3.022 19.370 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.761 2.656 20.155 1.00 0.00 H new ATOM 0 HB3 SER A 68 19.977 4.190 19.831 1.00 0.00 H new ATOM 0 HG SER A 68 20.052 3.706 22.106 1.00 0.00 H new ATOM 1063 N LYS A 69 19.734 1.354 17.473 1.00 0.00 N ATOM 1064 CA LYS A 69 20.249 1.253 16.160 1.00 0.00 C ATOM 1065 C LYS A 69 19.272 0.628 15.201 1.00 0.00 C ATOM 1066 O LYS A 69 18.243 0.079 15.603 1.00 0.00 O ATOM 1067 CB LYS A 69 21.582 0.548 16.136 1.00 0.00 C ATOM 1068 CG LYS A 69 22.689 1.310 16.847 1.00 0.00 C ATOM 1069 CD LYS A 69 24.061 0.718 16.563 1.00 0.00 C ATOM 1070 CE LYS A 69 24.190 -0.715 17.022 1.00 0.00 C ATOM 1071 NZ LYS A 69 25.519 -1.258 16.675 1.00 0.00 N ATOM 0 H LYS A 69 19.805 0.500 18.026 1.00 0.00 H new ATOM 0 HA LYS A 69 20.412 2.274 15.814 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.473 -0.433 16.599 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.876 0.380 15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.672 2.353 16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.505 1.299 17.921 1.00 0.00 H new ATOM 0 HD2 LYS A 69 24.259 0.770 15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 69 24.821 1.322 17.058 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.039 -0.772 18.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 23.412 -1.322 16.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.736 -2.066 17.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.518 -1.571 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 26.240 -0.520 16.804 1.00 0.00 H new ATOM 1085 N THR A 70 19.572 0.761 13.945 1.00 0.00 N ATOM 1086 CA THR A 70 18.790 0.233 12.900 1.00 0.00 C ATOM 1087 C THR A 70 19.247 -1.169 12.532 1.00 0.00 C ATOM 1088 O THR A 70 20.362 -1.588 12.885 1.00 0.00 O ATOM 1089 CB THR A 70 18.894 1.152 11.678 1.00 0.00 C ATOM 1090 OG1 THR A 70 20.282 1.408 11.376 1.00 0.00 O ATOM 1091 CG2 THR A 70 18.166 2.466 11.915 1.00 0.00 C ATOM 0 H THR A 70 20.401 1.260 13.622 1.00 0.00 H new ATOM 0 HA THR A 70 17.754 0.174 13.233 1.00 0.00 H new ATOM 0 HB THR A 70 18.423 0.650 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.344 1.994 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.257 3.097 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.112 2.268 12.112 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.606 2.976 12.772 1.00 0.00 H new ATOM 1099 N VAL A 71 18.394 -1.893 11.823 1.00 0.00 N ATOM 1100 CA VAL A 71 18.725 -3.225 11.345 1.00 0.00 C ATOM 1101 C VAL A 71 19.867 -3.098 10.325 1.00 0.00 C ATOM 1102 O VAL A 71 20.728 -3.974 10.199 1.00 0.00 O ATOM 1103 CB VAL A 71 17.481 -3.897 10.677 1.00 0.00 C ATOM 1104 CG1 VAL A 71 17.796 -5.304 10.197 1.00 0.00 C ATOM 1105 CG2 VAL A 71 16.300 -3.922 11.637 1.00 0.00 C ATOM 0 H VAL A 71 17.460 -1.576 11.565 1.00 0.00 H new ATOM 0 HA VAL A 71 19.033 -3.851 12.183 1.00 0.00 H new ATOM 0 HB VAL A 71 17.215 -3.296 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.908 -5.739 9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 71 18.602 -5.266 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.104 -5.917 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.446 -4.394 11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.568 -4.488 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.039 -2.902 11.919 1.00 0.00 H new ATOM 1115 N LYS A 72 19.865 -1.963 9.652 1.00 0.00 N ATOM 1116 CA LYS A 72 20.832 -1.577 8.636 1.00 0.00 C ATOM 1117 C LYS A 72 22.257 -1.600 9.187 1.00 0.00 C ATOM 1118 O LYS A 72 23.196 -1.931 8.476 1.00 0.00 O ATOM 1119 CB LYS A 72 20.492 -0.160 8.191 1.00 0.00 C ATOM 1120 CG LYS A 72 21.247 0.358 7.003 1.00 0.00 C ATOM 1121 CD LYS A 72 20.828 1.785 6.711 1.00 0.00 C ATOM 1122 CE LYS A 72 21.441 2.305 5.433 1.00 0.00 C ATOM 1123 NZ LYS A 72 21.040 1.486 4.275 1.00 0.00 N ATOM 0 H LYS A 72 19.154 -1.248 9.805 1.00 0.00 H new ATOM 0 HA LYS A 72 20.784 -2.281 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.426 -0.118 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.667 0.514 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.319 0.316 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.054 -0.272 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.742 1.836 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.123 2.426 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.134 3.339 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.527 2.306 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.884 2.102 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.791 0.801 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.161 0.977 4.498 1.00 0.00 H new ATOM 1137 N ASP A 73 22.401 -1.260 10.462 1.00 0.00 N ATOM 1138 CA ASP A 73 23.719 -1.176 11.106 1.00 0.00 C ATOM 1139 C ASP A 73 24.376 -2.546 11.199 1.00 0.00 C ATOM 1140 O ASP A 73 25.598 -2.667 11.155 1.00 0.00 O ATOM 1141 CB ASP A 73 23.603 -0.547 12.507 1.00 0.00 C ATOM 1142 CG ASP A 73 24.950 -0.326 13.178 1.00 0.00 C ATOM 1143 OD1 ASP A 73 25.576 0.724 12.934 1.00 0.00 O ATOM 1144 OD2 ASP A 73 25.398 -1.185 13.971 1.00 0.00 O ATOM 0 H ASP A 73 21.620 -1.036 11.079 1.00 0.00 H new ATOM 0 HA ASP A 73 24.348 -0.537 10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.083 0.408 12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.991 -1.192 13.138 1.00 0.00 H new ATOM 1149 N TYR A 74 23.559 -3.571 11.311 1.00 0.00 N ATOM 1150 CA TYR A 74 24.035 -4.933 11.424 1.00 0.00 C ATOM 1151 C TYR A 74 24.120 -5.595 10.052 1.00 0.00 C ATOM 1152 O TYR A 74 24.723 -6.652 9.897 1.00 0.00 O ATOM 1153 CB TYR A 74 23.112 -5.724 12.357 1.00 0.00 C ATOM 1154 CG TYR A 74 23.118 -5.222 13.788 1.00 0.00 C ATOM 1155 CD1 TYR A 74 22.376 -4.106 14.161 1.00 0.00 C ATOM 1156 CD2 TYR A 74 23.873 -5.861 14.764 1.00 0.00 C ATOM 1157 CE1 TYR A 74 22.388 -3.641 15.458 1.00 0.00 C ATOM 1158 CE2 TYR A 74 23.888 -5.400 16.069 1.00 0.00 C ATOM 1159 CZ TYR A 74 23.147 -4.289 16.406 1.00 0.00 C ATOM 1160 OH TYR A 74 23.155 -3.825 17.704 1.00 0.00 O ATOM 0 H TYR A 74 22.543 -3.483 11.326 1.00 0.00 H new ATOM 0 HA TYR A 74 25.040 -4.923 11.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.094 -5.680 11.970 1.00 0.00 H new ATOM 0 HB3 TYR A 74 23.412 -6.772 12.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 21.779 -3.595 13.420 1.00 0.00 H new ATOM 0 HD2 TYR A 74 24.457 -6.730 14.500 1.00 0.00 H new ATOM 0 HE1 TYR A 74 21.805 -2.773 15.729 1.00 0.00 H new ATOM 0 HE2 TYR A 74 24.477 -5.908 16.818 1.00 0.00 H new ATOM 0 HH TYR A 74 24.064 -3.882 18.066 1.00 0.00 H new ATOM 1170 N ARG A 75 23.503 -4.971 9.081 1.00 0.00 N ATOM 1171 CA ARG A 75 23.494 -5.419 7.720 1.00 0.00 C ATOM 1172 C ARG A 75 24.606 -4.768 6.915 1.00 0.00 C ATOM 1173 O ARG A 75 25.429 -4.008 7.447 1.00 0.00 O ATOM 1174 CB ARG A 75 22.153 -5.054 7.094 1.00 0.00 C ATOM 1175 CG ARG A 75 21.018 -6.085 7.174 1.00 0.00 C ATOM 1176 CD ARG A 75 20.701 -6.618 8.562 1.00 0.00 C ATOM 1177 NE ARG A 75 21.687 -7.585 9.044 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.569 -8.305 10.150 1.00 0.00 C ATOM 1179 NH1 ARG A 75 20.503 -8.149 10.944 1.00 0.00 N ATOM 1180 NH2 ARG A 75 22.505 -9.177 10.457 1.00 0.00 N ATOM 0 H ARG A 75 22.977 -4.109 9.225 1.00 0.00 H new ATOM 0 HA ARG A 75 23.650 -6.498 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.804 -4.135 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 75 22.326 -4.828 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.114 -5.634 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.273 -6.928 6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.647 -5.784 9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.717 -7.087 8.549 1.00 0.00 H new ATOM 0 HE ARG A 75 22.531 -7.715 8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.778 -7.474 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.415 -8.705 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.313 -9.294 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.423 -9.736 11.306 1.00 0.00 H new ATOM 1306 N VAL A 85 17.423 -14.229 2.616 1.00 0.00 N ATOM 1307 CA VAL A 85 16.560 -14.395 3.744 1.00 0.00 C ATOM 1308 C VAL A 85 17.433 -14.783 4.905 1.00 0.00 C ATOM 1309 O VAL A 85 18.114 -15.814 4.895 1.00 0.00 O ATOM 1310 CB VAL A 85 15.499 -15.486 3.509 1.00 0.00 C ATOM 1311 CG1 VAL A 85 14.556 -15.590 4.699 1.00 0.00 C ATOM 1312 CG2 VAL A 85 14.725 -15.227 2.224 1.00 0.00 C ATOM 0 HA VAL A 85 16.020 -13.467 3.929 1.00 0.00 H new ATOM 0 HB VAL A 85 16.016 -16.440 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.816 -16.367 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.126 -15.842 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.051 -14.636 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.982 -16.012 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.224 -14.261 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.414 -15.222 1.379 1.00 0.00 H new ATOM 1322 N THR A 86 17.401 -13.961 5.879 1.00 0.00 N ATOM 1323 CA THR A 86 18.307 -14.020 6.974 1.00 0.00 C ATOM 1324 C THR A 86 17.567 -14.424 8.228 1.00 0.00 C ATOM 1325 O THR A 86 16.461 -13.989 8.448 1.00 0.00 O ATOM 1326 CB THR A 86 18.904 -12.609 7.165 1.00 0.00 C ATOM 1327 OG1 THR A 86 19.432 -12.155 5.902 1.00 0.00 O ATOM 1328 CG2 THR A 86 20.019 -12.608 8.204 1.00 0.00 C ATOM 0 H THR A 86 16.725 -13.201 5.946 1.00 0.00 H new ATOM 0 HA THR A 86 19.092 -14.750 6.779 1.00 0.00 H new ATOM 0 HB THR A 86 18.115 -11.945 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 86 19.813 -11.258 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.415 -11.598 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.624 -12.947 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.816 -13.278 7.883 1.00 0.00 H new ATOM 1336 N THR A 87 18.132 -15.277 9.011 1.00 0.00 N ATOM 1337 CA THR A 87 17.516 -15.608 10.236 1.00 0.00 C ATOM 1338 C THR A 87 18.388 -15.191 11.405 1.00 0.00 C ATOM 1339 O THR A 87 19.565 -15.566 11.505 1.00 0.00 O ATOM 1340 CB THR A 87 17.093 -17.095 10.313 1.00 0.00 C ATOM 1341 OG1 THR A 87 16.424 -17.373 11.551 1.00 0.00 O ATOM 1342 CG2 THR A 87 18.255 -18.033 10.147 1.00 0.00 C ATOM 0 H THR A 87 19.014 -15.752 8.821 1.00 0.00 H new ATOM 0 HA THR A 87 16.587 -15.041 10.296 1.00 0.00 H new ATOM 0 HB THR A 87 16.407 -17.263 9.483 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.901 -16.590 11.823 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.903 -19.063 10.209 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.721 -17.867 9.176 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.985 -17.851 10.936 1.00 0.00 H new ATOM 1350 N MET A 88 17.825 -14.384 12.259 1.00 0.00 N ATOM 1351 CA MET A 88 18.517 -13.924 13.424 1.00 0.00 C ATOM 1352 C MET A 88 18.044 -14.710 14.596 1.00 0.00 C ATOM 1353 O MET A 88 16.863 -15.090 14.670 1.00 0.00 O ATOM 1354 CB MET A 88 18.333 -12.419 13.675 1.00 0.00 C ATOM 1355 CG MET A 88 18.826 -11.532 12.542 1.00 0.00 C ATOM 1356 SD MET A 88 18.806 -9.767 12.956 1.00 0.00 S ATOM 1357 CE MET A 88 17.087 -9.522 13.404 1.00 0.00 C ATOM 0 H MET A 88 16.874 -14.028 12.165 1.00 0.00 H new ATOM 0 HA MET A 88 19.585 -14.074 13.266 1.00 0.00 H new ATOM 0 HB2 MET A 88 17.275 -12.217 13.845 1.00 0.00 H new ATOM 0 HB3 MET A 88 18.860 -12.148 14.589 1.00 0.00 H new ATOM 0 HG2 MET A 88 19.842 -11.825 12.276 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.205 -11.699 11.662 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.700 -8.640 12.894 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.506 -10.396 13.109 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.008 -9.381 14.482 1.00 0.00 H new ATOM 1367 N HIS A 89 18.940 -14.996 15.481 1.00 0.00 N ATOM 1368 CA HIS A 89 18.614 -15.778 16.642 1.00 0.00 C ATOM 1369 C HIS A 89 18.047 -14.885 17.703 1.00 0.00 C ATOM 1370 O HIS A 89 18.454 -13.745 17.840 1.00 0.00 O ATOM 1371 CB HIS A 89 19.830 -16.563 17.150 1.00 0.00 C ATOM 1372 CG HIS A 89 20.305 -17.622 16.193 1.00 0.00 C ATOM 1373 ND1 HIS A 89 20.320 -18.959 16.495 1.00 0.00 N ATOM 1374 CD2 HIS A 89 20.789 -17.525 14.933 1.00 0.00 C ATOM 1375 CE1 HIS A 89 20.785 -19.637 15.471 1.00 0.00 C ATOM 1376 NE2 HIS A 89 21.078 -18.790 14.508 1.00 0.00 N ATOM 0 H HIS A 89 19.915 -14.700 15.427 1.00 0.00 H new ATOM 0 HA HIS A 89 17.860 -16.517 16.370 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.646 -15.867 17.343 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.578 -17.031 18.102 1.00 0.00 H new ATOM 0 HD2 HIS A 89 20.922 -16.615 14.368 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.906 -20.709 15.427 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.458 -19.037 13.594 1.00 0.00 H new ATOM 1385 N VAL A 90 17.099 -15.377 18.409 1.00 0.00 N ATOM 1386 CA VAL A 90 16.442 -14.625 19.428 1.00 0.00 C ATOM 1387 C VAL A 90 16.705 -15.281 20.732 1.00 0.00 C ATOM 1388 O VAL A 90 16.658 -16.503 20.848 1.00 0.00 O ATOM 1389 CB VAL A 90 14.904 -14.558 19.179 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.204 -13.669 20.194 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.593 -14.102 17.763 1.00 0.00 C ATOM 0 H VAL A 90 16.747 -16.328 18.299 1.00 0.00 H new ATOM 0 HA VAL A 90 16.826 -13.605 19.422 1.00 0.00 H new ATOM 0 HB VAL A 90 14.518 -15.570 19.304 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.134 -13.650 19.985 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.370 -14.061 21.197 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.604 -12.657 20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.513 -14.066 17.621 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.014 -13.110 17.600 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.029 -14.803 17.051 1.00 0.00 H new ATOM 1401 N ILE A 91 16.993 -14.489 21.691 1.00 0.00 N ATOM 1402 CA ILE A 91 17.225 -14.951 22.994 1.00 0.00 C ATOM 1403 C ILE A 91 15.972 -14.780 23.796 1.00 0.00 C ATOM 1404 O ILE A 91 15.479 -13.660 24.017 1.00 0.00 O ATOM 1405 CB ILE A 91 18.409 -14.224 23.640 1.00 0.00 C ATOM 1406 CG1 ILE A 91 19.722 -14.669 22.996 1.00 0.00 C ATOM 1407 CG2 ILE A 91 18.447 -14.407 25.158 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.949 -14.042 23.617 1.00 0.00 C ATOM 0 H ILE A 91 17.075 -13.478 21.585 1.00 0.00 H new ATOM 0 HA ILE A 91 17.489 -16.008 22.962 1.00 0.00 H new ATOM 0 HB ILE A 91 18.275 -13.157 23.460 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.803 -15.754 23.070 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.697 -14.423 21.935 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.304 -13.873 25.568 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.530 -14.012 25.595 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.534 -15.467 25.395 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.841 -14.406 23.107 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.892 -12.958 23.520 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.000 -14.309 24.672 1.00 0.00 H new ATOM 1420 N ILE A 92 15.446 -15.892 24.187 1.00 0.00 N ATOM 1421 CA ILE A 92 14.244 -15.956 24.930 1.00 0.00 C ATOM 1422 C ILE A 92 14.530 -15.910 26.405 1.00 0.00 C ATOM 1423 O ILE A 92 15.046 -16.875 26.992 1.00 0.00 O ATOM 1424 CB ILE A 92 13.379 -17.228 24.558 1.00 0.00 C ATOM 1425 CG1 ILE A 92 12.658 -17.065 23.201 1.00 0.00 C ATOM 1426 CG2 ILE A 92 12.366 -17.564 25.637 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.544 -16.833 22.006 1.00 0.00 C ATOM 0 H ILE A 92 15.857 -16.805 23.990 1.00 0.00 H new ATOM 0 HA ILE A 92 13.651 -15.081 24.664 1.00 0.00 H new ATOM 0 HB ILE A 92 14.085 -18.055 24.476 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.063 -17.960 23.019 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.962 -16.230 23.280 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.795 -18.443 25.339 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.886 -17.769 26.573 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.689 -16.721 25.775 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.929 -16.734 21.111 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.121 -15.920 22.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.224 -17.677 21.888 1.00 0.00 H new ATOM 1439 N GLN A 93 14.270 -14.778 26.980 1.00 0.00 N ATOM 1440 CA GLN A 93 14.332 -14.629 28.390 1.00 0.00 C ATOM 1441 C GLN A 93 12.948 -14.331 28.848 1.00 0.00 C ATOM 1442 O GLN A 93 12.396 -13.277 28.539 1.00 0.00 O ATOM 1443 CB GLN A 93 15.304 -13.535 28.810 1.00 0.00 C ATOM 1444 CG GLN A 93 16.741 -13.823 28.439 1.00 0.00 C ATOM 1445 CD GLN A 93 17.686 -12.756 28.917 1.00 0.00 C ATOM 1446 OE1 GLN A 93 17.962 -11.788 28.217 1.00 0.00 O ATOM 1447 NE2 GLN A 93 18.181 -12.914 30.102 1.00 0.00 N ATOM 0 H GLN A 93 14.008 -13.930 26.477 1.00 0.00 H new ATOM 0 HA GLN A 93 14.709 -15.543 28.850 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.000 -12.595 28.349 1.00 0.00 H new ATOM 0 HB3 GLN A 93 15.237 -13.397 29.889 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.037 -14.782 28.864 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.821 -13.916 27.356 1.00 0.00 H new ATOM 0 HE21 GLN A 93 17.928 -13.733 30.655 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.824 -12.220 30.483 1.00 0.00 H new ATOM 1456 N ALA A 94 12.381 -15.265 29.535 1.00 0.00 N ATOM 1457 CA ALA A 94 11.013 -15.188 29.955 1.00 0.00 C ATOM 1458 C ALA A 94 10.824 -14.213 31.106 1.00 0.00 C ATOM 1459 O ALA A 94 11.765 -13.960 31.876 1.00 0.00 O ATOM 1460 CB ALA A 94 10.527 -16.570 30.349 1.00 0.00 C ATOM 0 H ALA A 94 12.858 -16.118 29.827 1.00 0.00 H new ATOM 0 HA ALA A 94 10.423 -14.814 29.118 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.487 -16.512 30.669 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.607 -17.241 29.494 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.138 -16.951 31.168 1.00 0.00 H new