USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 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 72 TYR OH : rot 165:sc= 0.733 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -123:sc= 1.95 (180deg=-0.247) USER MOD Set 2.1: A 31 ASN : amide:sc= -1.5! C(o=1.6!,f=-9!) USER MOD Set 2.2: A 34 ASN : amide:sc= 1.89 K(o=1.6,f=-5) USER MOD Set 2.3: A 37 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0) USER MOD Single : A 13 SER OG : rot 146:sc= 0.309 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.451 (180deg=0.436) USER MOD Single : A 20 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=-0.0019) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 MET CE :methyl -141:sc= -1 (180deg=-2.87!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0255 (180deg=-0.233) USER MOD Single : A 39 CYS SG : rot -60:sc= -3.32! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 88:sc= -3.36! USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0461 (180deg=-0.336) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -158:sc= 0.0295 USER MOD Single : A 51 THR OG1 : rot -65:sc= 1.06 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -8:sc= 1.17 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0163) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0512) USER MOD Single : A 66 SER OG : rot 58:sc= 0.285 USER MOD Single : A 71 ASN : amide:sc= -1.89 K(o=-1.9,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ 137:sc= 0.33 (180deg=-3.05!) USER MOD Single : A 84 THR OG1 : rot -39:sc= 1.26 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0.579 (180deg=0.253) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 0.943 (180deg=0.627) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 0.431 (180deg=-0.0886) USER MOD Single : A 100 CYS SG : rot 82:sc= -3.24! USER MOD Single : A 101 GLN :FLIP amide:sc=-0.00136 F(o=-1.1,f=-0.0014) USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= 0.591 (180deg=0.484) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.854 1.633 2.263 1.00 0.00 N ATOM 78 CA ILE A 7 12.689 0.193 2.485 1.00 0.00 C ATOM 79 C ILE A 7 12.581 -0.582 1.152 1.00 0.00 C ATOM 80 O ILE A 7 11.512 -0.661 0.545 1.00 0.00 O ATOM 81 CB ILE A 7 11.452 -0.121 3.382 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.563 0.561 4.766 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.289 -1.631 3.561 1.00 0.00 C ATOM 84 CD1 ILE A 7 11.299 2.056 4.764 1.00 0.00 C ATOM 0 HA ILE A 7 13.585 -0.141 3.009 1.00 0.00 H new ATOM 0 HB ILE A 7 10.573 0.279 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.859 0.083 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.562 0.384 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.421 -1.831 4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.148 -2.100 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.182 -2.040 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.400 2.445 5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.018 2.552 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.289 2.247 4.401 1.00 0.00 H new ATOM 96 N ALA A 8 13.701 -1.153 0.706 1.00 0.00 N ATOM 97 CA ALA A 8 13.746 -1.931 -0.538 1.00 0.00 C ATOM 98 C ALA A 8 12.854 -3.180 -0.457 1.00 0.00 C ATOM 99 O ALA A 8 12.230 -3.591 -1.445 1.00 0.00 O ATOM 100 CB ALA A 8 15.186 -2.322 -0.855 1.00 0.00 C ATOM 0 H ALA A 8 14.597 -1.092 1.190 1.00 0.00 H new ATOM 0 HA ALA A 8 13.359 -1.305 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.211 -2.899 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.790 -1.422 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.587 -2.925 -0.040 1.00 0.00 H new ATOM 106 N GLY A 9 12.786 -3.773 0.736 1.00 0.00 N ATOM 107 CA GLY A 9 11.912 -4.920 0.964 1.00 0.00 C ATOM 108 C GLY A 9 10.441 -4.600 0.708 1.00 0.00 C ATOM 109 O GLY A 9 9.621 -5.498 0.489 1.00 0.00 O ATOM 0 H GLY A 9 13.322 -3.479 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.219 -5.740 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.031 -5.264 1.991 1.00 0.00 H new ATOM 113 N LEU A 10 10.110 -3.311 0.731 1.00 0.00 N ATOM 114 CA LEU A 10 8.750 -2.853 0.448 1.00 0.00 C ATOM 115 C LEU A 10 8.460 -2.935 -1.057 1.00 0.00 C ATOM 116 O LEU A 10 7.356 -3.304 -1.467 1.00 0.00 O ATOM 117 CB LEU A 10 8.568 -1.418 0.957 1.00 0.00 C ATOM 118 CG LEU A 10 7.150 -0.841 0.828 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.144 -1.702 1.587 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.116 0.601 1.327 1.00 0.00 C ATOM 0 H LEU A 10 10.768 -2.561 0.944 1.00 0.00 H new ATOM 0 HA LEU A 10 8.042 -3.501 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.860 -1.384 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.255 -0.769 0.414 1.00 0.00 H new ATOM 0 HG LEU A 10 6.870 -0.847 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.147 -1.275 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.150 -2.713 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.416 -1.734 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.105 0.996 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.418 0.631 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.801 1.207 0.735 1.00 0.00 H new ATOM 132 N GLU A 11 9.463 -2.595 -1.873 1.00 0.00 N ATOM 133 CA GLU A 11 9.362 -2.759 -3.329 1.00 0.00 C ATOM 134 C GLU A 11 9.107 -4.232 -3.675 1.00 0.00 C ATOM 135 O GLU A 11 8.295 -4.544 -4.547 1.00 0.00 O ATOM 136 CB GLU A 11 10.643 -2.266 -4.027 1.00 0.00 C ATOM 137 CG GLU A 11 10.599 -2.381 -5.551 1.00 0.00 C ATOM 138 CD GLU A 11 11.876 -1.892 -6.225 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.861 -2.662 -6.277 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.904 -0.741 -6.708 1.00 0.00 O ATOM 0 H GLU A 11 10.350 -2.206 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 11 8.526 -2.158 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.816 -1.225 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.492 -2.838 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.426 -3.421 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.753 -1.806 -5.928 1.00 0.00 H new ATOM 147 N GLU A 12 9.802 -5.132 -2.968 1.00 0.00 N ATOM 148 CA GLU A 12 9.587 -6.579 -3.122 1.00 0.00 C ATOM 149 C GLU A 12 8.114 -6.949 -2.895 1.00 0.00 C ATOM 150 O GLU A 12 7.485 -7.573 -3.746 1.00 0.00 O ATOM 151 CB GLU A 12 10.457 -7.375 -2.134 1.00 0.00 C ATOM 152 CG GLU A 12 11.956 -7.150 -2.288 1.00 0.00 C ATOM 153 CD GLU A 12 12.774 -8.085 -1.407 1.00 0.00 C ATOM 154 OE1 GLU A 12 13.022 -7.754 -0.230 1.00 0.00 O ATOM 155 OE2 GLU A 12 13.161 -9.170 -1.891 1.00 0.00 O ATOM 0 H GLU A 12 10.518 -4.885 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 12 9.869 -6.836 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.165 -7.110 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.247 -8.437 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.238 -7.297 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.194 -6.116 -2.036 1.00 0.00 H new ATOM 162 N SER A 13 7.576 -6.548 -1.738 1.00 0.00 N ATOM 163 CA SER A 13 6.183 -6.860 -1.372 1.00 0.00 C ATOM 164 C SER A 13 5.193 -6.381 -2.442 1.00 0.00 C ATOM 165 O SER A 13 4.401 -7.170 -2.965 1.00 0.00 O ATOM 166 CB SER A 13 5.823 -6.228 -0.021 1.00 0.00 C ATOM 167 OG SER A 13 4.494 -6.545 0.354 1.00 0.00 O ATOM 0 H SER A 13 8.081 -6.007 -1.037 1.00 0.00 H new ATOM 0 HA SER A 13 6.107 -7.945 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.514 -6.581 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.939 -5.146 -0.080 1.00 0.00 H new ATOM 0 HG SER A 13 4.442 -6.635 1.328 1.00 0.00 H new ATOM 173 N PHE A 14 5.256 -5.090 -2.778 1.00 0.00 N ATOM 174 CA PHE A 14 4.411 -4.522 -3.835 1.00 0.00 C ATOM 175 C PHE A 14 4.559 -5.320 -5.138 1.00 0.00 C ATOM 176 O PHE A 14 3.576 -5.631 -5.813 1.00 0.00 O ATOM 177 CB PHE A 14 4.788 -3.053 -4.077 1.00 0.00 C ATOM 178 CG PHE A 14 4.020 -2.402 -5.207 1.00 0.00 C ATOM 179 CD1 PHE A 14 2.729 -1.938 -5.007 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.588 -2.259 -6.467 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.020 -1.349 -6.037 1.00 0.00 C ATOM 182 CE2 PHE A 14 3.882 -1.670 -7.499 1.00 0.00 C ATOM 183 CZ PHE A 14 2.597 -1.215 -7.283 1.00 0.00 C ATOM 0 H PHE A 14 5.882 -4.418 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 14 3.372 -4.578 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.616 -2.488 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.855 -2.992 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.271 -2.038 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.593 -2.612 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.014 -0.994 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.335 -1.566 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.044 -0.755 -8.088 1.00 0.00 H new ATOM 193 N ARG A 15 5.801 -5.661 -5.466 1.00 0.00 N ATOM 194 CA ARG A 15 6.119 -6.424 -6.674 1.00 0.00 C ATOM 195 C ARG A 15 5.466 -7.820 -6.637 1.00 0.00 C ATOM 196 O ARG A 15 5.073 -8.360 -7.671 1.00 0.00 O ATOM 197 CB ARG A 15 7.647 -6.540 -6.798 1.00 0.00 C ATOM 198 CG ARG A 15 8.148 -6.999 -8.160 1.00 0.00 C ATOM 199 CD ARG A 15 9.669 -6.919 -8.232 1.00 0.00 C ATOM 200 NE ARG A 15 10.179 -7.221 -9.564 1.00 0.00 N ATOM 201 CZ ARG A 15 11.409 -7.005 -9.948 1.00 0.00 C ATOM 202 NH1 ARG A 15 12.279 -6.490 -9.137 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.763 -7.304 -11.152 1.00 0.00 N ATOM 0 H ARG A 15 6.617 -5.418 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 15 5.719 -5.903 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.090 -5.570 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.006 -7.238 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.824 -8.023 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.709 -6.379 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.992 -5.920 -7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.101 -7.616 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 15 9.533 -7.628 -10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.007 -6.247 -8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.236 -6.327 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.084 -7.707 -11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.722 -7.138 -11.458 1.00 0.00 H new ATOM 217 N LYS A 16 5.342 -8.387 -5.434 1.00 0.00 N ATOM 218 CA LYS A 16 4.714 -9.703 -5.244 1.00 0.00 C ATOM 219 C LYS A 16 3.184 -9.624 -5.379 1.00 0.00 C ATOM 220 O LYS A 16 2.554 -10.520 -5.944 1.00 0.00 O ATOM 221 CB LYS A 16 5.100 -10.287 -3.877 1.00 0.00 C ATOM 222 CG LYS A 16 6.604 -10.495 -3.711 1.00 0.00 C ATOM 223 CD LYS A 16 6.971 -11.023 -2.324 1.00 0.00 C ATOM 224 CE LYS A 16 8.483 -11.132 -2.151 1.00 0.00 C ATOM 225 NZ LYS A 16 8.861 -11.767 -0.861 1.00 0.00 N ATOM 0 H LYS A 16 5.670 -7.954 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 16 5.083 -10.363 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.744 -9.621 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.591 -11.241 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.957 -11.195 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.120 -9.551 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.563 -10.360 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.515 -12.001 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.899 -11.712 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.925 -10.137 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.895 -11.742 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.417 -11.249 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.536 -12.755 -0.852 1.00 0.00 H new ATOM 239 N PHE A 17 2.585 -8.557 -4.853 1.00 0.00 N ATOM 240 CA PHE A 17 1.142 -8.332 -5.005 1.00 0.00 C ATOM 241 C PHE A 17 0.777 -7.981 -6.461 1.00 0.00 C ATOM 242 O PHE A 17 -0.251 -8.422 -6.980 1.00 0.00 O ATOM 243 CB PHE A 17 0.673 -7.211 -4.064 1.00 0.00 C ATOM 244 CG PHE A 17 0.292 -7.664 -2.676 1.00 0.00 C ATOM 245 CD1 PHE A 17 1.246 -7.798 -1.674 1.00 0.00 C ATOM 246 CD2 PHE A 17 -1.035 -7.939 -2.369 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.882 -8.199 -0.401 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.403 -8.337 -1.099 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.445 -8.468 -0.114 1.00 0.00 C ATOM 0 H PHE A 17 3.071 -7.836 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 17 0.633 -9.259 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.467 -6.469 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.185 -6.712 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.283 -7.587 -1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.790 -7.840 -3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.633 -8.302 0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.439 -8.546 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.731 -8.780 0.880 1.00 0.00 H new ATOM 259 N ALA A 18 1.629 -7.191 -7.111 1.00 0.00 N ATOM 260 CA ALA A 18 1.390 -6.752 -8.491 1.00 0.00 C ATOM 261 C ALA A 18 1.362 -7.926 -9.481 1.00 0.00 C ATOM 262 O ALA A 18 0.540 -7.962 -10.393 1.00 0.00 O ATOM 263 CB ALA A 18 2.447 -5.733 -8.905 1.00 0.00 C ATOM 0 H ALA A 18 2.496 -6.839 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 18 0.405 -6.287 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.262 -5.413 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.400 -4.870 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.436 -6.187 -8.840 1.00 0.00 H new ATOM 269 N ILE A 19 2.263 -8.888 -9.297 1.00 0.00 N ATOM 270 CA ILE A 19 2.335 -10.057 -10.186 1.00 0.00 C ATOM 271 C ILE A 19 1.385 -11.183 -9.731 1.00 0.00 C ATOM 272 O ILE A 19 1.473 -12.318 -10.209 1.00 0.00 O ATOM 273 CB ILE A 19 3.780 -10.619 -10.256 1.00 0.00 C ATOM 274 CG1 ILE A 19 4.220 -11.161 -8.883 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.750 -9.543 -10.748 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.618 -11.747 -8.871 1.00 0.00 C ATOM 0 H ILE A 19 2.953 -8.887 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 19 2.028 -9.713 -11.174 1.00 0.00 H new ATOM 0 HB ILE A 19 3.793 -11.445 -10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.169 -10.354 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.513 -11.927 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.758 -9.954 -10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.451 -9.211 -11.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.733 -8.696 -10.062 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.853 -12.107 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.671 -12.577 -9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.337 -10.980 -9.159 1.00 0.00 H new ATOM 288 N HIS A 20 0.471 -10.866 -8.816 1.00 0.00 N ATOM 289 CA HIS A 20 -0.421 -11.877 -8.238 1.00 0.00 C ATOM 290 C HIS A 20 -1.866 -11.705 -8.729 1.00 0.00 C ATOM 291 O HIS A 20 -2.637 -10.932 -8.161 1.00 0.00 O ATOM 292 CB HIS A 20 -0.383 -11.800 -6.710 1.00 0.00 C ATOM 293 CG HIS A 20 -0.923 -13.024 -6.041 1.00 0.00 C ATOM 294 ND1 HIS A 20 -2.248 -13.171 -5.698 1.00 0.00 N ATOM 295 CD2 HIS A 20 -0.308 -14.164 -5.645 1.00 0.00 C ATOM 296 CE1 HIS A 20 -2.424 -14.338 -5.117 1.00 0.00 C ATOM 297 NE2 HIS A 20 -1.266 -14.962 -5.074 1.00 0.00 N ATOM 0 H HIS A 20 0.327 -9.922 -8.458 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.067 -12.855 -8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.646 -11.642 -6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.957 -10.933 -6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.740 -14.400 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.361 -14.720 -4.739 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.107 -15.889 -4.680 1.00 0.00 H new ATOM 306 N GLY A 21 -2.237 -12.449 -9.766 1.00 0.00 N ATOM 307 CA GLY A 21 -3.557 -12.292 -10.376 1.00 0.00 C ATOM 308 C GLY A 21 -3.474 -11.640 -11.748 1.00 0.00 C ATOM 309 O GLY A 21 -4.107 -12.093 -12.701 1.00 0.00 O ATOM 0 H GLY A 21 -1.650 -13.161 -10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.034 -13.268 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.188 -11.688 -9.725 1.00 0.00 H new ATOM 313 N ASP A 22 -2.701 -10.560 -11.837 1.00 0.00 N ATOM 314 CA ASP A 22 -2.389 -9.935 -13.121 1.00 0.00 C ATOM 315 C ASP A 22 -1.366 -10.801 -13.888 1.00 0.00 C ATOM 316 O ASP A 22 -0.189 -10.859 -13.523 1.00 0.00 O ATOM 317 CB ASP A 22 -1.843 -8.521 -12.896 1.00 0.00 C ATOM 318 CG ASP A 22 -2.817 -7.650 -12.118 1.00 0.00 C ATOM 319 OD1 ASP A 22 -2.908 -7.817 -10.882 1.00 0.00 O ATOM 320 OD2 ASP A 22 -3.511 -6.814 -12.739 1.00 0.00 O ATOM 0 H ASP A 22 -2.278 -10.098 -11.032 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.298 -9.861 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.898 -8.579 -12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.632 -8.057 -13.859 1.00 0.00 H new ATOM 325 N PRO A 23 -1.802 -11.479 -14.967 1.00 0.00 N ATOM 326 CA PRO A 23 -0.993 -12.516 -15.640 1.00 0.00 C ATOM 327 C PRO A 23 0.383 -12.029 -16.126 1.00 0.00 C ATOM 328 O PRO A 23 1.375 -12.750 -16.023 1.00 0.00 O ATOM 329 CB PRO A 23 -1.870 -12.942 -16.832 1.00 0.00 C ATOM 330 CG PRO A 23 -2.861 -11.837 -17.007 1.00 0.00 C ATOM 331 CD PRO A 23 -3.104 -11.286 -15.631 1.00 0.00 C ATOM 0 HA PRO A 23 -0.751 -13.324 -14.949 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.271 -13.079 -17.732 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.369 -13.890 -16.634 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.474 -11.067 -17.674 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.786 -12.207 -17.449 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.391 -10.235 -15.661 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.903 -11.820 -15.117 1.00 0.00 H new ATOM 339 N LYS A 24 0.447 -10.803 -16.639 1.00 0.00 N ATOM 340 CA LYS A 24 1.673 -10.303 -17.274 1.00 0.00 C ATOM 341 C LYS A 24 2.162 -8.985 -16.652 1.00 0.00 C ATOM 342 O LYS A 24 2.827 -8.188 -17.319 1.00 0.00 O ATOM 343 CB LYS A 24 1.431 -10.119 -18.779 1.00 0.00 C ATOM 344 CG LYS A 24 0.835 -11.354 -19.452 1.00 0.00 C ATOM 345 CD LYS A 24 0.853 -11.248 -20.974 1.00 0.00 C ATOM 346 CE LYS A 24 2.274 -11.255 -21.522 1.00 0.00 C ATOM 347 NZ LYS A 24 2.296 -11.297 -23.006 1.00 0.00 N ATOM 0 H LYS A 24 -0.327 -10.138 -16.630 1.00 0.00 H new ATOM 0 HA LYS A 24 2.456 -11.043 -17.108 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.761 -9.272 -18.931 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.375 -9.870 -19.264 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.394 -12.238 -19.145 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.191 -11.491 -19.111 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.293 -12.079 -21.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.349 -10.332 -21.281 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.801 -10.365 -21.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.811 -12.117 -21.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.281 -11.301 -23.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.816 -12.159 -23.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.806 -10.461 -23.384 1.00 0.00 H new ATOM 361 N ALA A 25 1.870 -8.768 -15.373 1.00 0.00 N ATOM 362 CA ALA A 25 2.303 -7.545 -14.684 1.00 0.00 C ATOM 363 C ALA A 25 3.805 -7.589 -14.361 1.00 0.00 C ATOM 364 O ALA A 25 4.277 -8.504 -13.694 1.00 0.00 O ATOM 365 CB ALA A 25 1.493 -7.339 -13.409 1.00 0.00 C ATOM 0 H ALA A 25 1.339 -9.416 -14.791 1.00 0.00 H new ATOM 0 HA ALA A 25 2.128 -6.703 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.826 -6.429 -12.910 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.436 -7.250 -13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.638 -8.191 -12.744 1.00 0.00 H new ATOM 371 N SER A 26 4.553 -6.589 -14.832 1.00 0.00 N ATOM 372 CA SER A 26 6.009 -6.524 -14.596 1.00 0.00 C ATOM 373 C SER A 26 6.357 -6.238 -13.121 1.00 0.00 C ATOM 374 O SER A 26 7.532 -6.187 -12.754 1.00 0.00 O ATOM 375 CB SER A 26 6.648 -5.445 -15.489 1.00 0.00 C ATOM 376 OG SER A 26 6.446 -5.721 -16.868 1.00 0.00 O ATOM 0 H SER A 26 4.182 -5.812 -15.378 1.00 0.00 H new ATOM 0 HA SER A 26 6.411 -7.505 -14.848 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.222 -4.472 -15.246 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.716 -5.386 -15.282 1.00 0.00 H new ATOM 0 HG SER A 26 6.862 -5.016 -17.407 1.00 0.00 H new ATOM 382 N GLY A 27 5.336 -6.050 -12.285 1.00 0.00 N ATOM 383 CA GLY A 27 5.555 -5.744 -10.870 1.00 0.00 C ATOM 384 C GLY A 27 5.543 -4.249 -10.577 1.00 0.00 C ATOM 385 O GLY A 27 5.687 -3.830 -9.430 1.00 0.00 O ATOM 0 H GLY A 27 4.355 -6.104 -12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.783 -6.232 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.511 -6.163 -10.557 1.00 0.00 H new ATOM 389 N GLN A 28 5.372 -3.450 -11.626 1.00 0.00 N ATOM 390 CA GLN A 28 5.352 -1.986 -11.506 1.00 0.00 C ATOM 391 C GLN A 28 3.951 -1.462 -11.168 1.00 0.00 C ATOM 392 O GLN A 28 3.798 -0.509 -10.404 1.00 0.00 O ATOM 393 CB GLN A 28 5.817 -1.355 -12.822 1.00 0.00 C ATOM 394 CG GLN A 28 7.201 -1.811 -13.270 1.00 0.00 C ATOM 395 CD GLN A 28 7.610 -1.212 -14.606 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.772 -0.937 -15.462 1.00 0.00 O ATOM 397 NE2 GLN A 28 8.895 -1.007 -14.796 1.00 0.00 N ATOM 0 H GLN A 28 5.244 -3.791 -12.579 1.00 0.00 H new ATOM 0 HA GLN A 28 6.025 -1.712 -10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.096 -1.594 -13.603 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.820 -0.271 -12.713 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.934 -1.534 -12.512 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.215 -2.898 -13.344 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.563 -1.247 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.223 -0.608 -15.675 1.00 0.00 H new ATOM 406 N GLU A 29 2.937 -2.093 -11.755 1.00 0.00 N ATOM 407 CA GLU A 29 1.544 -1.650 -11.618 1.00 0.00 C ATOM 408 C GLU A 29 0.695 -2.721 -10.905 1.00 0.00 C ATOM 409 O GLU A 29 0.742 -3.896 -11.270 1.00 0.00 O ATOM 410 CB GLU A 29 0.949 -1.372 -13.010 1.00 0.00 C ATOM 411 CG GLU A 29 1.807 -0.483 -13.910 1.00 0.00 C ATOM 412 CD GLU A 29 1.929 0.952 -13.414 1.00 0.00 C ATOM 413 OE1 GLU A 29 0.935 1.707 -13.510 1.00 0.00 O ATOM 414 OE2 GLU A 29 3.023 1.344 -12.954 1.00 0.00 O ATOM 0 H GLU A 29 3.052 -2.922 -12.337 1.00 0.00 H new ATOM 0 HA GLU A 29 1.531 -0.739 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.783 -2.324 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.027 -0.903 -12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.804 -0.917 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.380 -0.477 -14.913 1.00 0.00 H new ATOM 421 N MET A 30 -0.081 -2.314 -9.899 1.00 0.00 N ATOM 422 CA MET A 30 -0.961 -3.243 -9.172 1.00 0.00 C ATOM 423 C MET A 30 -2.409 -2.731 -9.115 1.00 0.00 C ATOM 424 O MET A 30 -2.653 -1.539 -8.925 1.00 0.00 O ATOM 425 CB MET A 30 -0.441 -3.473 -7.747 1.00 0.00 C ATOM 426 CG MET A 30 -1.344 -4.377 -6.917 1.00 0.00 C ATOM 427 SD MET A 30 -0.630 -4.837 -5.328 1.00 0.00 S ATOM 428 CE MET A 30 -0.508 -3.255 -4.506 1.00 0.00 C ATOM 0 H MET A 30 -0.121 -1.351 -9.566 1.00 0.00 H new ATOM 0 HA MET A 30 -0.955 -4.186 -9.718 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.555 -3.913 -7.797 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.340 -2.511 -7.244 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.295 -3.871 -6.747 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.561 -5.282 -7.485 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.422 -3.210 -3.940 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.520 -2.457 -5.249 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.352 -3.132 -3.827 1.00 0.00 H new ATOM 438 N ASN A 31 -3.367 -3.647 -9.261 1.00 0.00 N ATOM 439 CA ASN A 31 -4.794 -3.294 -9.252 1.00 0.00 C ATOM 440 C ASN A 31 -5.308 -2.973 -7.831 1.00 0.00 C ATOM 441 O ASN A 31 -4.648 -3.266 -6.830 1.00 0.00 O ATOM 442 CB ASN A 31 -5.620 -4.438 -9.848 1.00 0.00 C ATOM 443 CG ASN A 31 -5.568 -5.686 -8.986 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.337 -5.833 -8.048 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.680 -6.600 -9.294 1.00 0.00 N ATOM 0 H ASN A 31 -3.184 -4.642 -9.387 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.908 -2.395 -9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.656 -4.117 -9.960 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.249 -4.671 -10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.620 -7.458 -8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.049 -6.453 -10.082 1.00 0.00 H new ATOM 452 N GLY A 32 -6.509 -2.402 -7.758 1.00 0.00 N ATOM 453 CA GLY A 32 -7.102 -2.025 -6.477 1.00 0.00 C ATOM 454 C GLY A 32 -7.547 -3.213 -5.623 1.00 0.00 C ATOM 455 O GLY A 32 -7.681 -3.088 -4.406 1.00 0.00 O ATOM 0 H GLY A 32 -7.089 -2.191 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.379 -1.436 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.962 -1.381 -6.662 1.00 0.00 H new ATOM 459 N LYS A 33 -7.772 -4.366 -6.250 1.00 0.00 N ATOM 460 CA LYS A 33 -8.219 -5.563 -5.522 1.00 0.00 C ATOM 461 C LYS A 33 -7.087 -6.132 -4.644 1.00 0.00 C ATOM 462 O LYS A 33 -7.307 -6.488 -3.483 1.00 0.00 O ATOM 463 CB LYS A 33 -8.734 -6.629 -6.505 1.00 0.00 C ATOM 464 CG LYS A 33 -9.263 -7.897 -5.836 1.00 0.00 C ATOM 465 CD LYS A 33 -9.823 -8.882 -6.859 1.00 0.00 C ATOM 466 CE LYS A 33 -10.463 -10.100 -6.192 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.640 -9.727 -5.361 1.00 0.00 N ATOM 0 H LYS A 33 -7.654 -4.502 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.039 -5.274 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.528 -6.194 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.926 -6.901 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.461 -8.374 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.042 -7.633 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.564 -8.378 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.022 -9.211 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.771 -10.812 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.723 -10.602 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.182 -10.582 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.316 -9.267 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.246 -9.070 -5.893 1.00 0.00 H new ATOM 481 N ASN A 34 -5.873 -6.211 -5.194 1.00 0.00 N ATOM 482 CA ASN A 34 -4.705 -6.630 -4.407 1.00 0.00 C ATOM 483 C ASN A 34 -4.283 -5.529 -3.422 1.00 0.00 C ATOM 484 O ASN A 34 -3.697 -5.810 -2.383 1.00 0.00 O ATOM 485 CB ASN A 34 -3.527 -7.022 -5.310 1.00 0.00 C ATOM 486 CG ASN A 34 -3.811 -8.275 -6.120 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.630 -9.110 -5.734 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.096 -8.452 -7.212 1.00 0.00 N ATOM 0 H ASN A 34 -5.671 -5.994 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.997 -7.512 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.302 -6.198 -5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.640 -7.182 -4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.212 -9.301 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.426 -7.740 -7.504 1.00 0.00 H new ATOM 495 N TRP A 35 -4.593 -4.277 -3.757 1.00 0.00 N ATOM 496 CA TRP A 35 -4.368 -3.145 -2.847 1.00 0.00 C ATOM 497 C TRP A 35 -5.259 -3.253 -1.593 1.00 0.00 C ATOM 498 O TRP A 35 -4.772 -3.180 -0.462 1.00 0.00 O ATOM 499 CB TRP A 35 -4.632 -1.825 -3.590 1.00 0.00 C ATOM 500 CG TRP A 35 -4.717 -0.622 -2.694 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.815 0.161 -2.481 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.670 -0.070 -1.889 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.513 1.169 -1.600 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.204 1.048 -1.219 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.332 -0.410 -1.672 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.447 1.820 -0.344 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.583 0.357 -0.802 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.140 1.462 -0.149 1.00 0.00 C ATOM 0 H TRP A 35 -5.002 -4.016 -4.654 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.330 -3.166 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.838 -1.666 -4.319 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.564 -1.915 -4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.781 0.009 -2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.159 1.891 -1.281 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.892 -1.258 -2.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.875 2.672 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.550 0.100 -0.622 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.526 2.044 0.522 1.00 0.00 H new ATOM 519 N ALA A 36 -6.565 -3.428 -1.798 1.00 0.00 N ATOM 520 CA ALA A 36 -7.497 -3.654 -0.687 1.00 0.00 C ATOM 521 C ALA A 36 -7.084 -4.895 0.121 1.00 0.00 C ATOM 522 O ALA A 36 -7.101 -4.894 1.355 1.00 0.00 O ATOM 523 CB ALA A 36 -8.921 -3.808 -1.213 1.00 0.00 C ATOM 0 H ALA A 36 -7.003 -3.418 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.463 -2.788 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.601 -3.975 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.213 -2.902 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.967 -4.658 -1.894 1.00 0.00 H new ATOM 529 N LYS A 37 -6.700 -5.947 -0.597 1.00 0.00 N ATOM 530 CA LYS A 37 -6.174 -7.168 0.018 1.00 0.00 C ATOM 531 C LYS A 37 -4.896 -6.876 0.812 1.00 0.00 C ATOM 532 O LYS A 37 -4.697 -7.405 1.901 1.00 0.00 O ATOM 533 CB LYS A 37 -5.876 -8.194 -1.083 1.00 0.00 C ATOM 534 CG LYS A 37 -5.376 -9.551 -0.588 1.00 0.00 C ATOM 535 CD LYS A 37 -4.850 -10.401 -1.745 1.00 0.00 C ATOM 536 CE LYS A 37 -5.905 -10.604 -2.828 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.333 -11.229 -4.049 1.00 0.00 N ATOM 0 H LYS A 37 -6.743 -5.980 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.919 -7.564 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.783 -8.350 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.130 -7.774 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.585 -9.404 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.186 -10.079 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.973 -9.921 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.528 -11.371 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.707 -11.232 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.350 -9.643 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.092 -11.685 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.879 -10.498 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.627 -11.942 -3.776 1.00 0.00 H new ATOM 551 N LEU A 38 -4.045 -6.017 0.256 1.00 0.00 N ATOM 552 CA LEU A 38 -2.771 -5.662 0.879 1.00 0.00 C ATOM 553 C LEU A 38 -2.991 -5.141 2.306 1.00 0.00 C ATOM 554 O LEU A 38 -2.317 -5.566 3.241 1.00 0.00 O ATOM 555 CB LEU A 38 -2.035 -4.621 0.010 1.00 0.00 C ATOM 556 CG LEU A 38 -0.574 -4.306 0.400 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.192 -3.730 -0.789 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.507 -3.337 1.582 1.00 0.00 C ATOM 0 H LEU A 38 -4.217 -5.549 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.149 -6.554 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.045 -4.971 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.603 -3.691 0.037 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.108 -5.244 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.218 -3.516 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.194 -4.453 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.289 -2.810 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.535 -3.137 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.002 -2.403 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.007 -3.779 2.444 1.00 0.00 H new ATOM 570 N CYS A 39 -3.951 -4.236 2.472 1.00 0.00 N ATOM 571 CA CYS A 39 -4.239 -3.669 3.797 1.00 0.00 C ATOM 572 C CYS A 39 -4.793 -4.735 4.757 1.00 0.00 C ATOM 573 O CYS A 39 -4.302 -4.887 5.883 1.00 0.00 O ATOM 574 CB CYS A 39 -5.229 -2.501 3.697 1.00 0.00 C ATOM 575 SG CYS A 39 -6.933 -2.991 3.355 1.00 0.00 S ATOM 0 H CYS A 39 -4.540 -3.879 1.719 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.295 -3.298 4.196 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.206 -1.941 4.632 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.894 -1.824 2.911 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.983 -3.626 2.222 1.00 0.00 H new ATOM 581 N LYS A 40 -5.798 -5.492 4.308 1.00 0.00 N ATOM 582 CA LYS A 40 -6.459 -6.476 5.175 1.00 0.00 C ATOM 583 C LYS A 40 -5.516 -7.637 5.532 1.00 0.00 C ATOM 584 O LYS A 40 -5.567 -8.176 6.638 1.00 0.00 O ATOM 585 CB LYS A 40 -7.734 -7.010 4.506 1.00 0.00 C ATOM 586 CG LYS A 40 -8.549 -7.946 5.400 1.00 0.00 C ATOM 587 CD LYS A 40 -9.857 -8.380 4.739 1.00 0.00 C ATOM 588 CE LYS A 40 -10.676 -9.291 5.650 1.00 0.00 C ATOM 589 NZ LYS A 40 -11.947 -9.728 5.009 1.00 0.00 N ATOM 0 H LYS A 40 -6.170 -5.445 3.359 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.731 -5.971 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.359 -6.168 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.461 -7.540 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.954 -8.828 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.769 -7.445 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.445 -7.499 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.638 -8.900 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.083 -10.167 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.900 -8.767 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.471 -10.344 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.525 -8.894 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.734 -10.251 4.136 1.00 0.00 H new ATOM 603 N ASP A 41 -4.652 -8.012 4.595 1.00 0.00 N ATOM 604 CA ASP A 41 -3.685 -9.090 4.814 1.00 0.00 C ATOM 605 C ASP A 41 -2.496 -8.596 5.665 1.00 0.00 C ATOM 606 O ASP A 41 -1.969 -9.331 6.502 1.00 0.00 O ATOM 607 CB ASP A 41 -3.203 -9.631 3.455 1.00 0.00 C ATOM 608 CG ASP A 41 -2.374 -10.905 3.554 1.00 0.00 C ATOM 609 OD1 ASP A 41 -2.386 -11.561 4.615 1.00 0.00 O ATOM 610 OD2 ASP A 41 -1.691 -11.251 2.568 1.00 0.00 O ATOM 0 H ASP A 41 -4.599 -7.585 3.670 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.169 -9.897 5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.070 -9.822 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.611 -8.862 2.959 1.00 0.00 H new ATOM 615 N CYS A 42 -2.080 -7.345 5.445 1.00 0.00 N ATOM 616 CA CYS A 42 -0.971 -6.746 6.210 1.00 0.00 C ATOM 617 C CYS A 42 -1.450 -6.092 7.517 1.00 0.00 C ATOM 618 O CYS A 42 -0.663 -5.450 8.211 1.00 0.00 O ATOM 619 CB CYS A 42 -0.230 -5.708 5.362 1.00 0.00 C ATOM 620 SG CYS A 42 0.471 -6.366 3.829 1.00 0.00 S ATOM 0 H CYS A 42 -2.490 -6.725 4.746 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.294 -7.560 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.917 -4.899 5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.573 -5.274 5.958 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.416 -6.297 2.881 1.00 0.00 H new ATOM 626 N LYS A 43 -2.747 -6.225 7.818 1.00 0.00 N ATOM 627 CA LYS A 43 -3.314 -5.801 9.116 1.00 0.00 C ATOM 628 C LYS A 43 -3.443 -4.270 9.224 1.00 0.00 C ATOM 629 O LYS A 43 -3.648 -3.727 10.313 1.00 0.00 O ATOM 630 CB LYS A 43 -2.467 -6.343 10.284 1.00 0.00 C ATOM 631 CG LYS A 43 -2.360 -7.869 10.328 1.00 0.00 C ATOM 632 CD LYS A 43 -3.686 -8.534 10.697 1.00 0.00 C ATOM 633 CE LYS A 43 -4.108 -8.204 12.128 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.092 -8.639 13.125 1.00 0.00 N ATOM 0 H LYS A 43 -3.433 -6.626 7.179 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.318 -6.221 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.464 -5.922 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.897 -5.993 11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.030 -8.236 9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.598 -8.157 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.462 -8.207 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.594 -9.614 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.269 -7.130 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.060 -8.688 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.514 -8.633 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.769 -9.601 12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.282 -7.987 13.102 1.00 0.00 H new ATOM 648 N VAL A 44 -3.340 -3.583 8.090 1.00 0.00 N ATOM 649 CA VAL A 44 -3.485 -2.124 8.052 1.00 0.00 C ATOM 650 C VAL A 44 -4.937 -1.704 8.343 1.00 0.00 C ATOM 651 O VAL A 44 -5.182 -0.656 8.939 1.00 0.00 O ATOM 652 CB VAL A 44 -3.043 -1.545 6.682 1.00 0.00 C ATOM 653 CG1 VAL A 44 -3.149 -0.019 6.665 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.620 -1.992 6.339 1.00 0.00 C ATOM 0 H VAL A 44 -3.157 -4.010 7.182 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.835 -1.719 8.828 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.719 -1.935 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.832 0.357 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.182 0.276 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.508 0.399 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.330 -1.575 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.933 -1.640 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.582 -3.080 6.290 1.00 0.00 H new ATOM 664 N ALA A 45 -5.896 -2.534 7.929 1.00 0.00 N ATOM 665 CA ALA A 45 -7.317 -2.256 8.177 1.00 0.00 C ATOM 666 C ALA A 45 -7.715 -2.618 9.621 1.00 0.00 C ATOM 667 O ALA A 45 -7.966 -3.781 9.935 1.00 0.00 O ATOM 668 CB ALA A 45 -8.189 -3.002 7.168 1.00 0.00 C ATOM 0 H ALA A 45 -5.719 -3.401 7.422 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.479 -1.186 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.239 -2.786 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.935 -2.679 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.016 -4.074 7.260 1.00 0.00 H new ATOM 674 N ASP A 46 -7.751 -1.613 10.496 1.00 0.00 N ATOM 675 CA ASP A 46 -8.076 -1.822 11.913 1.00 0.00 C ATOM 676 C ASP A 46 -9.588 -1.685 12.194 1.00 0.00 C ATOM 677 O ASP A 46 -10.144 -2.415 13.017 1.00 0.00 O ATOM 678 CB ASP A 46 -7.288 -0.827 12.771 1.00 0.00 C ATOM 679 CG ASP A 46 -7.648 0.612 12.453 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.352 1.072 11.334 1.00 0.00 O ATOM 681 OD2 ASP A 46 -8.261 1.275 13.305 1.00 0.00 O ATOM 0 H ASP A 46 -7.559 -0.642 10.250 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.794 -2.843 12.171 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.483 -1.024 13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.220 -0.977 12.611 1.00 0.00 H new ATOM 686 N GLY A 47 -10.244 -0.739 11.517 1.00 0.00 N ATOM 687 CA GLY A 47 -11.680 -0.519 11.714 1.00 0.00 C ATOM 688 C GLY A 47 -12.009 0.816 12.386 1.00 0.00 C ATOM 689 O GLY A 47 -13.104 1.355 12.208 1.00 0.00 O ATOM 0 H GLY A 47 -9.809 -0.118 10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.182 -0.563 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.084 -1.330 12.320 1.00 0.00 H new ATOM 693 N LYS A 48 -11.068 1.346 13.163 1.00 0.00 N ATOM 694 CA LYS A 48 -11.250 2.634 13.848 1.00 0.00 C ATOM 695 C LYS A 48 -10.789 3.796 12.953 1.00 0.00 C ATOM 696 O LYS A 48 -11.530 4.757 12.723 1.00 0.00 O ATOM 697 CB LYS A 48 -10.459 2.646 15.166 1.00 0.00 C ATOM 698 CG LYS A 48 -10.541 3.967 15.934 1.00 0.00 C ATOM 699 CD LYS A 48 -9.602 3.984 17.140 1.00 0.00 C ATOM 700 CE LYS A 48 -8.140 3.834 16.722 1.00 0.00 C ATOM 701 NZ LYS A 48 -7.215 3.863 17.888 1.00 0.00 N ATOM 0 H LYS A 48 -10.165 0.905 13.338 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.311 2.761 14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.827 1.843 15.805 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.413 2.428 14.951 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.290 4.791 15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.565 4.129 16.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.730 4.918 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.870 3.176 17.821 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.013 2.895 16.183 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.877 4.636 16.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.235 3.758 17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.316 4.769 18.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.447 3.082 18.535 1.00 0.00 H new ATOM 715 N SER A 49 -9.552 3.705 12.467 1.00 0.00 N ATOM 716 CA SER A 49 -8.972 4.727 11.584 1.00 0.00 C ATOM 717 C SER A 49 -9.074 4.311 10.111 1.00 0.00 C ATOM 718 O SER A 49 -9.363 5.132 9.236 1.00 0.00 O ATOM 719 CB SER A 49 -7.502 4.975 11.952 1.00 0.00 C ATOM 720 OG SER A 49 -7.378 5.455 13.284 1.00 0.00 O ATOM 0 H SER A 49 -8.924 2.928 12.670 1.00 0.00 H new ATOM 0 HA SER A 49 -9.539 5.647 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.936 4.050 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.069 5.698 11.261 1.00 0.00 H new ATOM 0 HG SER A 49 -6.521 5.920 13.386 1.00 0.00 H new ATOM 726 N VAL A 50 -8.808 3.035 9.841 1.00 0.00 N ATOM 727 CA VAL A 50 -8.953 2.472 8.496 1.00 0.00 C ATOM 728 C VAL A 50 -10.123 1.472 8.448 1.00 0.00 C ATOM 729 O VAL A 50 -10.007 0.334 8.906 1.00 0.00 O ATOM 730 CB VAL A 50 -7.648 1.767 8.043 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.783 1.224 6.622 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.449 2.711 8.151 1.00 0.00 C ATOM 0 H VAL A 50 -8.488 2.365 10.540 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.160 3.297 7.814 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.476 0.924 8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.854 0.735 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.600 0.504 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.992 2.046 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.547 2.192 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.614 3.582 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.331 3.033 9.186 1.00 0.00 H new ATOM 742 N THR A 51 -11.251 1.911 7.896 1.00 0.00 N ATOM 743 CA THR A 51 -12.483 1.098 7.849 1.00 0.00 C ATOM 744 C THR A 51 -12.608 0.302 6.542 1.00 0.00 C ATOM 745 O THR A 51 -13.678 -0.214 6.220 1.00 0.00 O ATOM 746 CB THR A 51 -13.738 1.994 7.976 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.846 2.844 6.821 1.00 0.00 O ATOM 748 CG2 THR A 51 -13.681 2.850 9.241 1.00 0.00 C ATOM 0 H THR A 51 -11.346 2.832 7.469 1.00 0.00 H new ATOM 0 HA THR A 51 -12.417 0.404 8.687 1.00 0.00 H new ATOM 0 HB THR A 51 -14.613 1.347 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.086 3.462 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.576 3.469 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.627 2.203 10.116 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.799 3.490 9.208 1.00 0.00 H new ATOM 756 N GLY A 52 -11.515 0.188 5.791 1.00 0.00 N ATOM 757 CA GLY A 52 -11.581 -0.423 4.463 1.00 0.00 C ATOM 758 C GLY A 52 -11.997 0.590 3.399 1.00 0.00 C ATOM 759 O GLY A 52 -11.315 0.763 2.379 1.00 0.00 O ATOM 0 H GLY A 52 -10.587 0.504 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.608 -0.843 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.291 -1.250 4.477 1.00 0.00 H new ATOM 763 N THR A 53 -13.112 1.280 3.649 1.00 0.00 N ATOM 764 CA THR A 53 -13.541 2.396 2.797 1.00 0.00 C ATOM 765 C THR A 53 -12.382 3.374 2.595 1.00 0.00 C ATOM 766 O THR A 53 -12.087 3.787 1.476 1.00 0.00 O ATOM 767 CB THR A 53 -14.741 3.162 3.413 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.820 2.256 3.688 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.231 4.270 2.481 1.00 0.00 C ATOM 0 H THR A 53 -13.735 1.087 4.433 1.00 0.00 H new ATOM 0 HA THR A 53 -13.853 1.975 1.841 1.00 0.00 H new ATOM 0 HB THR A 53 -14.401 3.618 4.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.571 2.750 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.072 4.788 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.423 4.979 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.548 3.835 1.533 1.00 0.00 H new ATOM 777 N ASP A 54 -11.706 3.712 3.697 1.00 0.00 N ATOM 778 CA ASP A 54 -10.518 4.575 3.660 1.00 0.00 C ATOM 779 C ASP A 54 -9.456 4.057 2.673 1.00 0.00 C ATOM 780 O ASP A 54 -8.773 4.842 2.021 1.00 0.00 O ATOM 781 CB ASP A 54 -9.916 4.694 5.062 1.00 0.00 C ATOM 782 CG ASP A 54 -10.900 5.295 6.047 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.984 6.535 6.125 1.00 0.00 O ATOM 784 OD2 ASP A 54 -11.602 4.532 6.737 1.00 0.00 O ATOM 0 H ASP A 54 -11.963 3.399 4.633 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.837 5.557 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.609 3.708 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.019 5.312 5.021 1.00 0.00 H new ATOM 789 N VAL A 55 -9.330 2.734 2.563 1.00 0.00 N ATOM 790 CA VAL A 55 -8.382 2.123 1.621 1.00 0.00 C ATOM 791 C VAL A 55 -8.792 2.417 0.168 1.00 0.00 C ATOM 792 O VAL A 55 -7.941 2.652 -0.696 1.00 0.00 O ATOM 793 CB VAL A 55 -8.280 0.589 1.833 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.257 -0.035 0.883 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.932 0.270 3.285 1.00 0.00 C ATOM 0 H VAL A 55 -9.869 2.064 3.111 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.404 2.564 1.814 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.253 0.154 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.208 -1.110 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.556 0.154 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.277 0.406 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.865 -0.810 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.975 0.726 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.707 0.666 3.941 1.00 0.00 H new ATOM 805 N ASP A 56 -10.106 2.425 -0.084 1.00 0.00 N ATOM 806 CA ASP A 56 -10.640 2.777 -1.407 1.00 0.00 C ATOM 807 C ASP A 56 -10.429 4.275 -1.674 1.00 0.00 C ATOM 808 O ASP A 56 -10.107 4.689 -2.790 1.00 0.00 O ATOM 809 CB ASP A 56 -12.134 2.421 -1.487 1.00 0.00 C ATOM 810 CG ASP A 56 -12.733 2.692 -2.861 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.697 1.789 -3.724 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.251 3.810 -3.081 1.00 0.00 O ATOM 0 H ASP A 56 -10.818 2.193 0.608 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.108 2.207 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.265 1.368 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.680 2.995 -0.738 1.00 0.00 H new ATOM 817 N ILE A 57 -10.592 5.084 -0.625 1.00 0.00 N ATOM 818 CA ILE A 57 -10.384 6.530 -0.722 1.00 0.00 C ATOM 819 C ILE A 57 -8.923 6.859 -1.055 1.00 0.00 C ATOM 820 O ILE A 57 -8.645 7.617 -1.981 1.00 0.00 O ATOM 821 CB ILE A 57 -10.784 7.253 0.589 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.175 6.777 1.056 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.757 8.772 0.395 1.00 0.00 C ATOM 824 CD1 ILE A 57 -12.791 7.617 2.161 1.00 0.00 C ATOM 0 H ILE A 57 -10.868 4.762 0.303 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.025 6.886 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.060 7.002 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.850 6.774 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.095 5.747 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.041 9.263 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.752 9.085 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.459 9.051 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.767 7.210 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.141 7.601 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.908 8.644 1.815 1.00 0.00 H new ATOM 836 N VAL A 58 -7.994 6.276 -0.296 1.00 0.00 N ATOM 837 CA VAL A 58 -6.559 6.461 -0.541 1.00 0.00 C ATOM 838 C VAL A 58 -6.170 6.006 -1.957 1.00 0.00 C ATOM 839 O VAL A 58 -5.363 6.652 -2.630 1.00 0.00 O ATOM 840 CB VAL A 58 -5.702 5.703 0.506 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.219 5.766 0.145 1.00 0.00 C ATOM 842 CG2 VAL A 58 -5.940 6.272 1.905 1.00 0.00 C ATOM 0 H VAL A 58 -8.208 5.670 0.496 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.357 7.528 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.007 4.656 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.639 5.227 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.063 5.309 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.896 6.807 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.331 5.729 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.666 7.327 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.993 6.167 2.166 1.00 0.00 H new ATOM 852 N PHE A 59 -6.780 4.915 -2.422 1.00 0.00 N ATOM 853 CA PHE A 59 -6.547 4.427 -3.782 1.00 0.00 C ATOM 854 C PHE A 59 -6.929 5.510 -4.802 1.00 0.00 C ATOM 855 O PHE A 59 -6.184 5.797 -5.734 1.00 0.00 O ATOM 856 CB PHE A 59 -7.351 3.142 -4.035 1.00 0.00 C ATOM 857 CG PHE A 59 -7.139 2.542 -5.407 1.00 0.00 C ATOM 858 CD1 PHE A 59 -6.024 1.758 -5.674 1.00 0.00 C ATOM 859 CD2 PHE A 59 -8.054 2.759 -6.428 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.830 1.208 -6.928 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.862 2.212 -7.683 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.750 1.435 -7.934 1.00 0.00 C ATOM 0 H PHE A 59 -7.437 4.354 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.488 4.197 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.081 2.403 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.411 3.358 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.300 1.576 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.929 3.364 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.958 0.600 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.582 2.393 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.599 1.006 -8.913 1.00 0.00 H new ATOM 872 N SER A 60 -8.087 6.132 -4.588 1.00 0.00 N ATOM 873 CA SER A 60 -8.569 7.223 -5.451 1.00 0.00 C ATOM 874 C SER A 60 -7.878 8.557 -5.116 1.00 0.00 C ATOM 875 O SER A 60 -7.971 9.525 -5.866 1.00 0.00 O ATOM 876 CB SER A 60 -10.091 7.365 -5.307 1.00 0.00 C ATOM 877 OG SER A 60 -10.473 7.666 -3.971 1.00 0.00 O ATOM 0 H SER A 60 -8.717 5.901 -3.820 1.00 0.00 H new ATOM 0 HA SER A 60 -8.322 6.972 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.446 8.152 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.573 6.440 -5.622 1.00 0.00 H new ATOM 0 HG SER A 60 -9.691 7.600 -3.384 1.00 0.00 H new ATOM 883 N LYS A 61 -7.187 8.589 -3.982 1.00 0.00 N ATOM 884 CA LYS A 61 -6.451 9.776 -3.528 1.00 0.00 C ATOM 885 C LYS A 61 -5.042 9.816 -4.150 1.00 0.00 C ATOM 886 O LYS A 61 -4.402 10.869 -4.221 1.00 0.00 O ATOM 887 CB LYS A 61 -6.382 9.752 -1.993 1.00 0.00 C ATOM 888 CG LYS A 61 -5.860 11.025 -1.335 1.00 0.00 C ATOM 889 CD LYS A 61 -6.011 10.940 0.182 1.00 0.00 C ATOM 890 CE LYS A 61 -5.444 12.160 0.902 1.00 0.00 C ATOM 891 NZ LYS A 61 -6.141 13.420 0.533 1.00 0.00 N ATOM 0 H LYS A 61 -7.118 7.794 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.969 10.679 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.380 9.548 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.746 8.921 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.812 11.173 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.407 11.888 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.067 10.834 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.507 10.044 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.521 12.009 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.384 12.254 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.774 14.202 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.976 13.626 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.162 13.314 0.701 1.00 0.00 H new ATOM 905 N VAL A 62 -4.554 8.649 -4.577 1.00 0.00 N ATOM 906 CA VAL A 62 -3.304 8.549 -5.351 1.00 0.00 C ATOM 907 C VAL A 62 -3.583 8.308 -6.852 1.00 0.00 C ATOM 908 O VAL A 62 -2.717 8.533 -7.702 1.00 0.00 O ATOM 909 CB VAL A 62 -2.395 7.411 -4.814 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.049 7.640 -3.344 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.045 6.042 -5.012 1.00 0.00 C ATOM 0 H VAL A 62 -5.006 7.752 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.789 9.503 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.469 7.426 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.411 6.830 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.523 8.589 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.965 7.665 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.384 5.266 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.994 6.009 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.221 5.873 -6.074 1.00 0.00 H new ATOM 921 N LYS A 63 -4.795 7.847 -7.165 1.00 0.00 N ATOM 922 CA LYS A 63 -5.203 7.558 -8.549 1.00 0.00 C ATOM 923 C LYS A 63 -5.407 8.853 -9.361 1.00 0.00 C ATOM 924 O LYS A 63 -6.490 9.446 -9.350 1.00 0.00 O ATOM 925 CB LYS A 63 -6.496 6.720 -8.535 1.00 0.00 C ATOM 926 CG LYS A 63 -6.996 6.285 -9.909 1.00 0.00 C ATOM 927 CD LYS A 63 -8.298 5.482 -9.810 1.00 0.00 C ATOM 928 CE LYS A 63 -9.427 6.287 -9.158 1.00 0.00 C ATOM 929 NZ LYS A 63 -10.677 5.489 -9.005 1.00 0.00 N ATOM 0 H LYS A 63 -5.521 7.663 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.407 6.993 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.328 5.831 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.280 7.297 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.157 7.164 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.233 5.681 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.607 5.169 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.120 4.575 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.101 6.638 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.635 7.171 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.411 6.076 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.005 5.175 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.488 4.659 -8.408 1.00 0.00 H new ATOM 943 N GLY A 64 -4.357 9.287 -10.063 1.00 0.00 N ATOM 944 CA GLY A 64 -4.413 10.538 -10.824 1.00 0.00 C ATOM 945 C GLY A 64 -4.809 10.336 -12.284 1.00 0.00 C ATOM 946 O GLY A 64 -5.109 11.295 -12.996 1.00 0.00 O ATOM 0 H GLY A 64 -3.465 8.796 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.127 11.212 -10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.439 11.025 -10.782 1.00 0.00 H new ATOM 950 N LYS A 65 -4.794 9.086 -12.731 1.00 0.00 N ATOM 951 CA LYS A 65 -5.180 8.731 -14.103 1.00 0.00 C ATOM 952 C LYS A 65 -6.493 7.927 -14.099 1.00 0.00 C ATOM 953 O LYS A 65 -6.923 7.435 -13.052 1.00 0.00 O ATOM 954 CB LYS A 65 -4.058 7.895 -14.754 1.00 0.00 C ATOM 955 CG LYS A 65 -4.325 7.482 -16.206 1.00 0.00 C ATOM 956 CD LYS A 65 -3.348 6.405 -16.689 1.00 0.00 C ATOM 957 CE LYS A 65 -1.903 6.893 -16.713 1.00 0.00 C ATOM 958 NZ LYS A 65 -1.694 7.963 -17.721 1.00 0.00 N ATOM 0 H LYS A 65 -4.516 8.288 -12.160 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.332 9.646 -14.676 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.131 8.467 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.901 6.996 -14.158 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.346 7.110 -16.295 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.247 8.357 -16.851 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.423 5.534 -16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.635 6.081 -17.689 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.630 7.266 -15.726 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.241 6.055 -16.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.678 8.171 -17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.056 7.647 -18.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.201 8.822 -17.426 1.00 0.00 H new ATOM 972 N SER A 66 -7.133 7.803 -15.263 1.00 0.00 N ATOM 973 CA SER A 66 -8.267 6.878 -15.426 1.00 0.00 C ATOM 974 C SER A 66 -7.749 5.431 -15.491 1.00 0.00 C ATOM 975 O SER A 66 -7.952 4.719 -16.480 1.00 0.00 O ATOM 976 CB SER A 66 -9.071 7.214 -16.696 1.00 0.00 C ATOM 977 OG SER A 66 -8.269 7.091 -17.865 1.00 0.00 O ATOM 0 H SER A 66 -6.891 8.326 -16.105 1.00 0.00 H new ATOM 0 HA SER A 66 -8.931 6.985 -14.568 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.931 6.548 -16.771 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.460 8.230 -16.625 1.00 0.00 H new ATOM 0 HG SER A 66 -7.915 6.179 -17.924 1.00 0.00 H new ATOM 983 N ALA A 67 -7.069 5.007 -14.426 1.00 0.00 N ATOM 984 CA ALA A 67 -6.355 3.727 -14.403 1.00 0.00 C ATOM 985 C ALA A 67 -6.955 2.739 -13.392 1.00 0.00 C ATOM 986 O ALA A 67 -7.513 3.135 -12.370 1.00 0.00 O ATOM 987 CB ALA A 67 -4.881 3.972 -14.082 1.00 0.00 C ATOM 0 H ALA A 67 -6.997 5.537 -13.558 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.455 3.275 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.349 3.021 -14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.445 4.617 -14.844 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.796 4.453 -13.108 1.00 0.00 H new ATOM 993 N ARG A 68 -6.830 1.449 -13.695 1.00 0.00 N ATOM 994 CA ARG A 68 -7.252 0.379 -12.779 1.00 0.00 C ATOM 995 C ARG A 68 -6.099 -0.056 -11.859 1.00 0.00 C ATOM 996 O ARG A 68 -6.279 -0.906 -10.985 1.00 0.00 O ATOM 997 CB ARG A 68 -7.749 -0.834 -13.584 1.00 0.00 C ATOM 998 CG ARG A 68 -9.088 -0.619 -14.285 1.00 0.00 C ATOM 999 CD ARG A 68 -9.422 -1.765 -15.241 1.00 0.00 C ATOM 1000 NE ARG A 68 -9.284 -3.080 -14.611 1.00 0.00 N ATOM 1001 CZ ARG A 68 -9.849 -4.173 -15.053 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -10.647 -4.142 -16.073 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -9.616 -5.298 -14.466 1.00 0.00 N ATOM 0 H ARG A 68 -6.437 1.112 -14.574 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.060 0.768 -12.159 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.998 -1.091 -14.331 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.837 -1.689 -12.913 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.877 -0.527 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.061 0.320 -14.839 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.443 -1.645 -15.604 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.766 -1.712 -16.110 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.709 -3.148 -13.771 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.841 -3.257 -16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.081 -5.002 -16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.993 -5.333 -13.659 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.055 -6.153 -14.808 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.919 0.537 -12.059 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.705 0.114 -11.348 1.00 0.00 C ATOM 1019 C VAL A 69 -2.874 1.303 -10.824 1.00 0.00 C ATOM 1020 O VAL A 69 -2.788 2.354 -11.464 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.800 -0.758 -12.262 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.498 -2.060 -12.652 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.378 0.023 -13.509 1.00 0.00 C ATOM 0 H VAL A 69 -4.776 1.312 -12.707 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.049 -0.467 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.904 -1.015 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.840 -2.648 -13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.735 -2.629 -11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.418 -1.832 -13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.745 -0.606 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.264 0.319 -14.070 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.824 0.913 -13.211 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.263 1.119 -9.656 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.328 2.102 -9.093 1.00 0.00 C ATOM 1035 C ILE A 70 0.126 1.644 -9.275 1.00 0.00 C ATOM 1036 O ILE A 70 0.394 0.457 -9.460 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.595 2.355 -7.586 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.542 1.034 -6.794 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.938 3.061 -7.388 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.761 1.200 -5.303 1.00 0.00 C ATOM 0 H ILE A 70 -2.397 0.292 -9.074 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.488 3.033 -9.637 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.811 3.008 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.298 0.355 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.573 0.562 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.107 3.230 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.926 4.018 -7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.739 2.439 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.709 0.226 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.990 1.852 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.742 1.642 -5.126 1.00 0.00 H new ATOM 1052 N ASN A 71 1.056 2.589 -9.218 1.00 0.00 N ATOM 1053 CA ASN A 71 2.486 2.299 -9.403 1.00 0.00 C ATOM 1054 C ASN A 71 3.244 2.294 -8.065 1.00 0.00 C ATOM 1055 O ASN A 71 2.670 2.552 -7.006 1.00 0.00 O ATOM 1056 CB ASN A 71 3.103 3.345 -10.333 1.00 0.00 C ATOM 1057 CG ASN A 71 2.985 4.746 -9.768 1.00 0.00 C ATOM 1058 OD1 ASN A 71 2.052 5.051 -9.041 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.934 5.601 -10.081 1.00 0.00 N ATOM 0 H ASN A 71 0.850 3.573 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 71 2.572 1.305 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.154 3.108 -10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.610 3.303 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.905 6.552 -9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.699 5.313 -10.691 1.00 0.00 H new ATOM 1066 N TYR A 72 4.548 2.028 -8.129 1.00 0.00 N ATOM 1067 CA TYR A 72 5.400 1.993 -6.934 1.00 0.00 C ATOM 1068 C TYR A 72 5.562 3.389 -6.289 1.00 0.00 C ATOM 1069 O TYR A 72 5.619 3.514 -5.063 1.00 0.00 O ATOM 1070 CB TYR A 72 6.770 1.400 -7.300 1.00 0.00 C ATOM 1071 CG TYR A 72 7.767 1.376 -6.155 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.473 0.720 -4.962 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.998 2.016 -6.264 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.375 0.704 -3.918 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.903 2.003 -5.224 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.588 1.348 -4.053 1.00 0.00 C ATOM 1077 OH TYR A 72 10.490 1.347 -3.011 1.00 0.00 O ATOM 0 H TYR A 72 5.043 1.832 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 72 4.914 1.360 -6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.627 0.382 -7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.194 1.975 -8.123 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.524 0.216 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.249 2.532 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.133 0.190 -3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.854 2.504 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 72 11.368 1.633 -3.338 1.00 0.00 H new ATOM 1087 N GLU A 73 5.632 4.432 -7.114 1.00 0.00 N ATOM 1088 CA GLU A 73 5.768 5.809 -6.610 1.00 0.00 C ATOM 1089 C GLU A 73 4.533 6.250 -5.801 1.00 0.00 C ATOM 1090 O GLU A 73 4.655 6.636 -4.634 1.00 0.00 O ATOM 1091 CB GLU A 73 6.036 6.785 -7.773 1.00 0.00 C ATOM 1092 CG GLU A 73 7.487 7.257 -7.867 1.00 0.00 C ATOM 1093 CD GLU A 73 7.876 8.197 -6.734 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.262 7.715 -5.648 1.00 0.00 O ATOM 1095 OE2 GLU A 73 7.792 9.430 -6.922 1.00 0.00 O ATOM 0 H GLU A 73 5.598 4.357 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 73 6.622 5.828 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.761 6.301 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.388 7.655 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.148 6.390 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.639 7.762 -8.821 1.00 0.00 H new ATOM 1102 N GLU A 74 3.347 6.198 -6.411 1.00 0.00 N ATOM 1103 CA GLU A 74 2.113 6.538 -5.694 1.00 0.00 C ATOM 1104 C GLU A 74 1.833 5.538 -4.556 1.00 0.00 C ATOM 1105 O GLU A 74 1.099 5.844 -3.619 1.00 0.00 O ATOM 1106 CB GLU A 74 0.907 6.627 -6.653 1.00 0.00 C ATOM 1107 CG GLU A 74 0.857 7.909 -7.500 1.00 0.00 C ATOM 1108 CD GLU A 74 1.832 7.922 -8.675 1.00 0.00 C ATOM 1109 OE1 GLU A 74 3.046 8.129 -8.454 1.00 0.00 O ATOM 1110 OE2 GLU A 74 1.384 7.739 -9.830 1.00 0.00 O ATOM 0 H GLU A 74 3.213 5.928 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 74 2.259 7.523 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.926 5.766 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.011 6.557 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.156 8.040 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.068 8.764 -6.858 1.00 0.00 H new ATOM 1117 N PHE A 75 2.434 4.350 -4.639 1.00 0.00 N ATOM 1118 CA PHE A 75 2.354 3.359 -3.557 1.00 0.00 C ATOM 1119 C PHE A 75 3.030 3.885 -2.277 1.00 0.00 C ATOM 1120 O PHE A 75 2.499 3.731 -1.173 1.00 0.00 O ATOM 1121 CB PHE A 75 3.003 2.042 -4.009 1.00 0.00 C ATOM 1122 CG PHE A 75 2.978 0.944 -2.975 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.778 0.376 -2.573 1.00 0.00 C ATOM 1124 CD2 PHE A 75 4.159 0.476 -2.410 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.756 -0.633 -1.630 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.141 -0.533 -1.468 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.937 -1.089 -1.077 1.00 0.00 C ATOM 0 H PHE A 75 2.983 4.048 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 75 1.304 3.177 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.494 1.690 -4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.039 2.239 -4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.851 0.727 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.102 0.907 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.815 -1.066 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.066 -0.887 -1.037 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.920 -1.879 -0.340 1.00 0.00 H new ATOM 1137 N LYS A 76 4.202 4.511 -2.435 1.00 0.00 N ATOM 1138 CA LYS A 76 4.888 5.171 -1.312 1.00 0.00 C ATOM 1139 C LYS A 76 3.957 6.199 -0.636 1.00 0.00 C ATOM 1140 O LYS A 76 3.843 6.247 0.590 1.00 0.00 O ATOM 1141 CB LYS A 76 6.169 5.881 -1.794 1.00 0.00 C ATOM 1142 CG LYS A 76 7.262 4.952 -2.327 1.00 0.00 C ATOM 1143 CD LYS A 76 8.513 5.746 -2.715 1.00 0.00 C ATOM 1144 CE LYS A 76 9.601 4.873 -3.338 1.00 0.00 C ATOM 1145 NZ LYS A 76 10.185 3.909 -2.369 1.00 0.00 N ATOM 0 H LYS A 76 4.696 4.576 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 76 5.159 4.401 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.901 6.589 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.578 6.461 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.517 4.212 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.890 4.406 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.236 6.530 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.913 6.240 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.183 4.325 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.392 5.511 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.213 4.054 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.762 4.060 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.989 2.938 -2.685 1.00 0.00 H new ATOM 1159 N LYS A 77 3.294 7.014 -1.461 1.00 0.00 N ATOM 1160 CA LYS A 77 2.331 8.014 -0.978 1.00 0.00 C ATOM 1161 C LYS A 77 1.155 7.351 -0.243 1.00 0.00 C ATOM 1162 O LYS A 77 0.824 7.723 0.884 1.00 0.00 O ATOM 1163 CB LYS A 77 1.808 8.851 -2.158 1.00 0.00 C ATOM 1164 CG LYS A 77 0.702 9.840 -1.790 1.00 0.00 C ATOM 1165 CD LYS A 77 0.236 10.641 -3.005 1.00 0.00 C ATOM 1166 CE LYS A 77 -0.893 11.606 -2.656 1.00 0.00 C ATOM 1167 NZ LYS A 77 -2.164 10.901 -2.328 1.00 0.00 N ATOM 0 H LYS A 77 3.406 7.002 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 77 2.846 8.664 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.641 9.402 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.434 8.177 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.143 9.299 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.064 10.522 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.077 11.200 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.100 9.956 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.592 12.220 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.062 12.282 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.602 11.345 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.815 10.964 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.963 9.901 -2.122 1.00 0.00 H new ATOM 1181 N ALA A 78 0.546 6.356 -0.889 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.615 5.654 -0.333 1.00 0.00 C ATOM 1183 C ALA A 78 -0.345 5.120 1.083 1.00 0.00 C ATOM 1184 O ALA A 78 -1.186 5.242 1.979 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.020 4.517 -1.263 1.00 0.00 C ATOM 0 H ALA A 78 0.839 6.015 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.433 6.370 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.883 3.997 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.277 4.922 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.190 3.818 -1.366 1.00 0.00 H new ATOM 1191 N LEU A 79 0.832 4.529 1.283 1.00 0.00 N ATOM 1192 CA LEU A 79 1.212 4.011 2.601 1.00 0.00 C ATOM 1193 C LEU A 79 1.433 5.142 3.616 1.00 0.00 C ATOM 1194 O LEU A 79 1.049 5.017 4.778 1.00 0.00 O ATOM 1195 CB LEU A 79 2.469 3.142 2.500 1.00 0.00 C ATOM 1196 CG LEU A 79 2.311 1.863 1.662 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.603 1.062 1.671 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.141 1.014 2.166 1.00 0.00 C ATOM 0 H LEU A 79 1.536 4.396 0.557 1.00 0.00 H new ATOM 0 HA LEU A 79 0.384 3.398 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.273 3.741 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.781 2.862 3.506 1.00 0.00 H new ATOM 0 HG LEU A 79 2.091 2.154 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.476 0.159 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.408 1.665 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.853 0.787 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.053 0.116 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.317 0.731 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.218 1.590 2.099 1.00 0.00 H new ATOM 1210 N GLU A 80 2.054 6.241 3.176 1.00 0.00 N ATOM 1211 CA GLU A 80 2.246 7.416 4.040 1.00 0.00 C ATOM 1212 C GLU A 80 0.900 7.905 4.602 1.00 0.00 C ATOM 1213 O GLU A 80 0.758 8.151 5.802 1.00 0.00 O ATOM 1214 CB GLU A 80 2.927 8.556 3.257 1.00 0.00 C ATOM 1215 CG GLU A 80 3.148 9.827 4.080 1.00 0.00 C ATOM 1216 CD GLU A 80 3.685 10.994 3.258 1.00 0.00 C ATOM 1217 OE1 GLU A 80 2.873 11.719 2.645 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.921 11.203 3.236 1.00 0.00 O ATOM 0 H GLU A 80 2.431 6.344 2.234 1.00 0.00 H new ATOM 0 HA GLU A 80 2.887 7.122 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.889 8.204 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.318 8.800 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.205 10.121 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.846 9.611 4.889 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.086 8.019 3.720 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.423 8.489 4.090 1.00 0.00 C ATOM 1227 C GLU A 81 -2.123 7.502 5.047 1.00 0.00 C ATOM 1228 O GLU A 81 -2.574 7.885 6.141 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.243 8.718 2.810 1.00 0.00 C ATOM 1230 CG GLU A 81 -1.517 9.628 1.819 1.00 0.00 C ATOM 1231 CD GLU A 81 -2.259 9.840 0.509 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -2.357 8.895 -0.295 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.714 10.973 0.259 1.00 0.00 O ATOM 0 H GLU A 81 0.014 7.790 2.731 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.337 9.432 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.450 7.759 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.205 9.160 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.348 10.597 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.537 9.203 1.604 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.187 6.230 4.658 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.731 5.188 5.537 1.00 0.00 C ATOM 1242 C LEU A 82 -1.999 5.155 6.889 1.00 0.00 C ATOM 1243 O LEU A 82 -2.615 4.926 7.924 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.646 3.807 4.869 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.653 3.553 3.734 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.423 2.178 3.112 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -5.087 3.675 4.252 1.00 0.00 C ATOM 0 H LEU A 82 -1.872 5.894 3.748 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.778 5.432 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.639 3.677 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.789 3.044 5.634 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.501 4.309 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.144 2.016 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.413 2.127 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.548 1.409 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.786 3.492 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.252 2.942 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.247 4.678 4.648 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.688 5.394 6.873 1.00 0.00 N ATOM 1260 CA ALA A 83 0.116 5.406 8.101 1.00 0.00 C ATOM 1261 C ALA A 83 -0.293 6.554 9.035 1.00 0.00 C ATOM 1262 O ALA A 83 -0.456 6.353 10.239 1.00 0.00 O ATOM 1263 CB ALA A 83 1.602 5.499 7.767 1.00 0.00 C ATOM 0 H ALA A 83 -0.157 5.583 6.023 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.071 4.469 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.182 5.507 8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.893 4.640 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.793 6.417 7.210 1.00 0.00 H new ATOM 1269 N THR A 84 -0.464 7.756 8.474 1.00 0.00 N ATOM 1270 CA THR A 84 -0.854 8.935 9.270 1.00 0.00 C ATOM 1271 C THR A 84 -2.218 8.749 9.951 1.00 0.00 C ATOM 1272 O THR A 84 -2.476 9.344 11.001 1.00 0.00 O ATOM 1273 CB THR A 84 -0.899 10.240 8.428 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.904 10.149 7.402 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.457 10.536 7.792 1.00 0.00 C ATOM 0 H THR A 84 -0.341 7.942 7.479 1.00 0.00 H new ATOM 0 HA THR A 84 -0.078 9.031 10.029 1.00 0.00 H new ATOM 0 HB THR A 84 -1.151 11.057 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.905 9.245 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.393 11.455 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.208 10.653 8.574 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.740 9.711 7.138 1.00 0.00 H new ATOM 1283 N LYS A 85 -3.111 7.962 9.345 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.384 7.619 10.004 1.00 0.00 C ATOM 1285 C LYS A 85 -4.235 6.414 10.955 1.00 0.00 C ATOM 1286 O LYS A 85 -4.680 6.456 12.103 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.488 7.324 8.975 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.943 8.546 8.179 1.00 0.00 C ATOM 1289 CD LYS A 85 -7.308 8.320 7.519 1.00 0.00 C ATOM 1290 CE LYS A 85 -8.403 8.087 8.560 1.00 0.00 C ATOM 1291 NZ LYS A 85 -9.741 7.890 7.942 1.00 0.00 N ATOM 0 H LYS A 85 -2.985 7.555 8.418 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.669 8.491 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.129 6.565 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.348 6.900 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.998 9.411 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.203 8.777 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.565 9.185 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.252 7.461 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.150 7.212 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.442 8.938 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.418 7.586 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.064 8.784 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.678 7.161 7.202 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.609 5.347 10.464 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.466 4.091 11.222 1.00 0.00 C ATOM 1307 C ARG A 86 -2.701 4.299 12.531 1.00 0.00 C ATOM 1308 O ARG A 86 -3.183 3.968 13.614 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.719 3.063 10.363 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.636 1.655 10.959 1.00 0.00 C ATOM 1311 CD ARG A 86 -4.010 1.075 11.292 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.961 -0.377 11.478 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.640 -0.980 12.595 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.366 -0.298 13.664 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.607 -2.272 12.643 1.00 0.00 N ATOM 0 H ARG A 86 -3.186 5.321 9.536 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.466 3.734 11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.208 3.001 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.707 3.427 10.187 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.129 0.996 10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.029 1.683 11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.392 1.544 12.199 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.709 1.315 10.491 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.195 -0.963 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.399 0.721 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.117 -0.781 14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.831 -2.819 11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.357 -2.744 13.512 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.493 4.821 12.405 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.617 5.044 13.559 1.00 0.00 C ATOM 1331 C PHE A 87 -0.887 6.399 14.236 1.00 0.00 C ATOM 1332 O PHE A 87 -1.654 7.220 13.733 1.00 0.00 O ATOM 1333 CB PHE A 87 0.850 4.932 13.125 1.00 0.00 C ATOM 1334 CG PHE A 87 1.190 3.567 12.578 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.508 2.522 13.436 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.168 3.320 11.211 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.799 1.265 12.942 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.455 2.063 10.715 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.771 1.035 11.581 1.00 0.00 C ATOM 0 H PHE A 87 -1.088 5.102 11.512 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.832 4.274 14.299 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.059 5.686 12.366 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.495 5.149 13.977 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.528 2.694 14.502 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.924 4.120 10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.048 0.462 13.620 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.432 1.884 9.650 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.996 0.052 11.194 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.245 6.624 15.380 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.488 7.822 16.195 1.00 0.00 C ATOM 1351 C LYS A 88 0.249 9.056 15.646 1.00 0.00 C ATOM 1352 O LYS A 88 1.071 8.950 14.732 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.050 7.551 17.640 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.731 6.338 18.270 1.00 0.00 C ATOM 1355 CD LYS A 88 -0.130 5.995 19.628 1.00 0.00 C ATOM 1356 CE LYS A 88 -0.749 4.734 20.217 1.00 0.00 C ATOM 1357 NZ LYS A 88 -0.073 4.325 21.475 1.00 0.00 N ATOM 0 H LYS A 88 0.453 5.990 15.769 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.555 8.040 16.160 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.030 7.402 17.661 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.263 8.432 18.246 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.797 6.537 18.384 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.636 5.481 17.603 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.946 5.858 19.525 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.281 6.829 20.314 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.808 4.905 20.412 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.686 3.924 19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.522 3.463 21.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.932 4.137 21.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.155 5.088 22.177 1.00 0.00 H new ATOM 1371 N GLY A 89 -0.055 10.222 16.218 1.00 0.00 N ATOM 1372 CA GLY A 89 0.591 11.466 15.807 1.00 0.00 C ATOM 1373 C GLY A 89 2.050 11.561 16.250 1.00 0.00 C ATOM 1374 O GLY A 89 2.406 12.382 17.099 1.00 0.00 O ATOM 0 H GLY A 89 -0.742 10.329 16.964 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.541 11.552 14.722 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.037 12.309 16.220 1.00 0.00 H new ATOM 1378 N LYS A 90 2.895 10.714 15.678 1.00 0.00 N ATOM 1379 CA LYS A 90 4.328 10.700 15.984 1.00 0.00 C ATOM 1380 C LYS A 90 5.129 10.982 14.700 1.00 0.00 C ATOM 1381 O LYS A 90 4.540 11.106 13.623 1.00 0.00 O ATOM 1382 CB LYS A 90 4.709 9.338 16.594 1.00 0.00 C ATOM 1383 CG LYS A 90 6.069 9.312 17.294 1.00 0.00 C ATOM 1384 CD LYS A 90 6.313 7.986 18.013 1.00 0.00 C ATOM 1385 CE LYS A 90 7.619 7.988 18.807 1.00 0.00 C ATOM 1386 NZ LYS A 90 8.816 8.142 17.937 1.00 0.00 N ATOM 0 H LYS A 90 2.612 10.017 14.990 1.00 0.00 H new ATOM 0 HA LYS A 90 4.564 11.477 16.711 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.941 9.048 17.311 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.707 8.587 15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.858 9.478 16.561 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.124 10.130 18.012 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.481 7.782 18.687 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.336 7.178 17.282 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.596 8.799 19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.700 7.058 19.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.502 8.773 18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.253 7.211 17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.531 8.550 17.024 1.00 0.00 H new ATOM 1400 N SER A 91 6.452 11.116 14.815 1.00 0.00 N ATOM 1401 CA SER A 91 7.318 11.363 13.645 1.00 0.00 C ATOM 1402 C SER A 91 6.958 10.452 12.460 1.00 0.00 C ATOM 1403 O SER A 91 6.959 9.221 12.585 1.00 0.00 O ATOM 1404 CB SER A 91 8.793 11.157 14.013 1.00 0.00 C ATOM 1405 OG SER A 91 9.643 11.404 12.902 1.00 0.00 O ATOM 0 H SER A 91 6.953 11.059 15.702 1.00 0.00 H new ATOM 0 HA SER A 91 7.155 12.397 13.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.061 11.822 14.834 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.942 10.137 14.368 1.00 0.00 H new ATOM 0 HG SER A 91 10.576 11.267 13.167 1.00 0.00 H new ATOM 1411 N LYS A 92 6.652 11.066 11.314 1.00 0.00 N ATOM 1412 CA LYS A 92 6.248 10.329 10.109 1.00 0.00 C ATOM 1413 C LYS A 92 7.253 9.228 9.756 1.00 0.00 C ATOM 1414 O LYS A 92 6.874 8.164 9.271 1.00 0.00 O ATOM 1415 CB LYS A 92 6.104 11.281 8.915 1.00 0.00 C ATOM 1416 CG LYS A 92 5.710 10.573 7.622 1.00 0.00 C ATOM 1417 CD LYS A 92 5.828 11.486 6.407 1.00 0.00 C ATOM 1418 CE LYS A 92 4.825 12.630 6.439 1.00 0.00 C ATOM 1419 NZ LYS A 92 4.928 13.470 5.216 1.00 0.00 N ATOM 0 H LYS A 92 6.676 12.079 11.193 1.00 0.00 H new ATOM 0 HA LYS A 92 5.286 9.865 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.354 12.037 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.047 11.805 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.345 9.699 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.685 10.212 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.838 11.894 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.678 10.900 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.815 12.229 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.999 13.245 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.037 13.987 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.708 14.149 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.111 12.862 4.392 1.00 0.00 H new ATOM 1433 N GLU A 93 8.531 9.502 9.997 1.00 0.00 N ATOM 1434 CA GLU A 93 9.606 8.535 9.756 1.00 0.00 C ATOM 1435 C GLU A 93 9.286 7.172 10.394 1.00 0.00 C ATOM 1436 O GLU A 93 9.123 6.173 9.695 1.00 0.00 O ATOM 1437 CB GLU A 93 10.922 9.091 10.317 1.00 0.00 C ATOM 1438 CG GLU A 93 12.129 8.183 10.114 1.00 0.00 C ATOM 1439 CD GLU A 93 13.404 8.782 10.685 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.575 8.768 11.922 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.234 9.295 9.902 1.00 0.00 O ATOM 0 H GLU A 93 8.854 10.397 10.364 1.00 0.00 H new ATOM 0 HA GLU A 93 9.701 8.380 8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.124 10.054 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.798 9.276 11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.940 7.219 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.264 7.994 9.049 1.00 0.00 H new ATOM 1448 N GLU A 94 9.167 7.150 11.721 1.00 0.00 N ATOM 1449 CA GLU A 94 8.851 5.917 12.451 1.00 0.00 C ATOM 1450 C GLU A 94 7.517 5.315 11.985 1.00 0.00 C ATOM 1451 O GLU A 94 7.399 4.099 11.812 1.00 0.00 O ATOM 1452 CB GLU A 94 8.795 6.189 13.958 1.00 0.00 C ATOM 1453 CG GLU A 94 8.551 4.938 14.795 1.00 0.00 C ATOM 1454 CD GLU A 94 8.443 5.233 16.283 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.425 5.735 16.867 1.00 0.00 O ATOM 1456 OE2 GLU A 94 7.379 4.961 16.873 1.00 0.00 O ATOM 0 H GLU A 94 9.284 7.971 12.315 1.00 0.00 H new ATOM 0 HA GLU A 94 9.643 5.198 12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.733 6.648 14.271 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.004 6.911 14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.634 4.455 14.458 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.364 4.231 14.628 1.00 0.00 H new ATOM 1463 N ALA A 95 6.521 6.177 11.781 1.00 0.00 N ATOM 1464 CA ALA A 95 5.193 5.747 11.320 1.00 0.00 C ATOM 1465 C ALA A 95 5.266 5.060 9.946 1.00 0.00 C ATOM 1466 O ALA A 95 4.555 4.085 9.682 1.00 0.00 O ATOM 1467 CB ALA A 95 4.245 6.943 11.268 1.00 0.00 C ATOM 0 H ALA A 95 6.606 7.183 11.927 1.00 0.00 H new ATOM 0 HA ALA A 95 4.810 5.017 12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.264 6.615 10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.155 7.379 12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.639 7.690 10.579 1.00 0.00 H new ATOM 1473 N PHE A 96 6.139 5.570 9.080 1.00 0.00 N ATOM 1474 CA PHE A 96 6.325 5.010 7.741 1.00 0.00 C ATOM 1475 C PHE A 96 7.086 3.678 7.809 1.00 0.00 C ATOM 1476 O PHE A 96 6.692 2.697 7.175 1.00 0.00 O ATOM 1477 CB PHE A 96 7.070 6.010 6.842 1.00 0.00 C ATOM 1478 CG PHE A 96 7.109 5.616 5.384 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.987 5.778 4.580 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.260 5.078 4.819 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.015 5.423 3.244 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.292 4.722 3.483 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.167 4.889 2.696 1.00 0.00 C ATOM 0 H PHE A 96 6.732 6.375 9.282 1.00 0.00 H new ATOM 0 HA PHE A 96 5.342 4.819 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.595 6.987 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.092 6.118 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.082 6.186 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.139 4.937 5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.138 5.563 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.195 4.314 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.188 4.603 1.655 1.00 0.00 H new ATOM 1493 N ASP A 97 8.175 3.646 8.578 1.00 0.00 N ATOM 1494 CA ASP A 97 8.916 2.399 8.805 1.00 0.00 C ATOM 1495 C ASP A 97 8.006 1.328 9.431 1.00 0.00 C ATOM 1496 O ASP A 97 8.155 0.135 9.160 1.00 0.00 O ATOM 1497 CB ASP A 97 10.128 2.645 9.713 1.00 0.00 C ATOM 1498 CG ASP A 97 11.164 3.554 9.077 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.559 3.291 7.922 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.599 4.523 9.735 1.00 0.00 O ATOM 0 H ASP A 97 8.563 4.461 9.052 1.00 0.00 H new ATOM 0 HA ASP A 97 9.267 2.040 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.790 3.087 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.592 1.690 9.959 1.00 0.00 H new ATOM 1505 N ALA A 98 7.063 1.771 10.267 1.00 0.00 N ATOM 1506 CA ALA A 98 6.094 0.876 10.910 1.00 0.00 C ATOM 1507 C ALA A 98 5.166 0.203 9.883 1.00 0.00 C ATOM 1508 O ALA A 98 5.076 -1.027 9.826 1.00 0.00 O ATOM 1509 CB ALA A 98 5.278 1.646 11.948 1.00 0.00 C ATOM 0 H ALA A 98 6.949 2.753 10.517 1.00 0.00 H new ATOM 0 HA ALA A 98 6.652 0.084 11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.562 0.973 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.946 2.054 12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.743 2.460 11.459 1.00 0.00 H new ATOM 1515 N ILE A 99 4.485 1.004 9.059 1.00 0.00 N ATOM 1516 CA ILE A 99 3.590 0.449 8.033 1.00 0.00 C ATOM 1517 C ILE A 99 4.384 -0.374 6.999 1.00 0.00 C ATOM 1518 O ILE A 99 3.904 -1.389 6.491 1.00 0.00 O ATOM 1519 CB ILE A 99 2.759 1.558 7.324 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.666 0.930 6.437 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.658 2.481 6.504 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.699 1.939 5.852 1.00 0.00 C ATOM 0 H ILE A 99 4.532 2.023 9.078 1.00 0.00 H new ATOM 0 HA ILE A 99 2.889 -0.212 8.542 1.00 0.00 H new ATOM 0 HB ILE A 99 2.275 2.161 8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.142 0.382 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.106 0.203 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.050 3.246 6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.386 2.958 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.181 1.899 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.040 1.422 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.195 2.470 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.246 2.652 5.235 1.00 0.00 H new ATOM 1534 N CYS A 100 5.616 0.056 6.714 1.00 0.00 N ATOM 1535 CA CYS A 100 6.525 -0.713 5.853 1.00 0.00 C ATOM 1536 C CYS A 100 6.932 -2.031 6.527 1.00 0.00 C ATOM 1537 O CYS A 100 7.075 -3.054 5.869 1.00 0.00 O ATOM 1538 CB CYS A 100 7.775 0.106 5.512 1.00 0.00 C ATOM 1539 SG CYS A 100 7.446 1.567 4.500 1.00 0.00 S ATOM 0 H CYS A 100 6.008 0.930 7.065 1.00 0.00 H new ATOM 0 HA CYS A 100 5.993 -0.942 4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.255 0.420 6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.484 -0.534 4.987 1.00 0.00 H new ATOM 0 HG CYS A 100 7.040 2.540 5.261 1.00 0.00 H new ATOM 1545 N GLN A 101 7.114 -1.996 7.847 1.00 0.00 N ATOM 1546 CA GLN A 101 7.418 -3.198 8.633 1.00 0.00 C ATOM 1547 C GLN A 101 6.341 -4.277 8.420 1.00 0.00 C ATOM 1548 O GLN A 101 6.641 -5.470 8.329 1.00 0.00 O ATOM 1549 CB GLN A 101 7.513 -2.824 10.122 1.00 0.00 C ATOM 1550 CG GLN A 101 7.850 -3.983 11.052 1.00 0.00 C ATOM 1551 CD GLN A 101 7.829 -3.589 12.525 1.00 0.00 C ATOM 1552 OE1 GLN A 101 6.963 -2.660 12.892 1.00 0.00 O flip ATOM 1553 NE2 GLN A 101 8.573 -4.127 13.336 1.00 0.00 N flip ATOM 0 H GLN A 101 7.056 -1.142 8.401 1.00 0.00 H new ATOM 0 HA GLN A 101 8.373 -3.606 8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.271 -2.050 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.563 -2.390 10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.139 -4.792 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.837 -4.370 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.233 -4.841 13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.533 -3.861 14.320 1.00 0.00 H new ATOM 1562 N LEU A 102 5.087 -3.837 8.329 1.00 0.00 N ATOM 1563 CA LEU A 102 3.954 -4.738 8.076 1.00 0.00 C ATOM 1564 C LEU A 102 3.991 -5.342 6.656 1.00 0.00 C ATOM 1565 O LEU A 102 3.899 -6.558 6.485 1.00 0.00 O ATOM 1566 CB LEU A 102 2.632 -3.980 8.275 1.00 0.00 C ATOM 1567 CG LEU A 102 2.412 -3.385 9.676 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.094 -2.612 9.730 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.442 -4.482 10.738 1.00 0.00 C ATOM 0 H LEU A 102 4.825 -2.856 8.427 1.00 0.00 H new ATOM 0 HA LEU A 102 4.029 -5.561 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.584 -3.172 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.808 -4.659 8.054 1.00 0.00 H new ATOM 0 HG LEU A 102 3.224 -2.689 9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.955 -2.198 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.117 -1.801 9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.268 -3.284 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.284 -4.040 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.653 -5.207 10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.410 -4.983 10.716 1.00 0.00 H new ATOM 1581 N VAL A 103 4.141 -4.484 5.648 1.00 0.00 N ATOM 1582 CA VAL A 103 4.014 -4.898 4.239 1.00 0.00 C ATOM 1583 C VAL A 103 5.316 -5.498 3.658 1.00 0.00 C ATOM 1584 O VAL A 103 5.287 -6.534 2.994 1.00 0.00 O ATOM 1585 CB VAL A 103 3.574 -3.700 3.358 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.312 -4.138 1.917 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.342 -3.017 3.952 1.00 0.00 C ATOM 0 H VAL A 103 4.351 -3.494 5.775 1.00 0.00 H new ATOM 0 HA VAL A 103 3.256 -5.681 4.225 1.00 0.00 H new ATOM 0 HB VAL A 103 4.391 -2.979 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.005 -3.276 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.223 -4.563 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.521 -4.888 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.050 -2.179 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.522 -3.732 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.575 -2.652 4.952 1.00 0.00 H new ATOM 1597 N ALA A 104 6.449 -4.839 3.906 1.00 0.00 N ATOM 1598 CA ALA A 104 7.742 -5.223 3.306 1.00 0.00 C ATOM 1599 C ALA A 104 8.096 -6.707 3.516 1.00 0.00 C ATOM 1600 O ALA A 104 7.919 -7.255 4.606 1.00 0.00 O ATOM 1601 CB ALA A 104 8.857 -4.343 3.860 1.00 0.00 C ATOM 0 H ALA A 104 6.504 -4.029 4.523 1.00 0.00 H new ATOM 0 HA ALA A 104 7.641 -5.073 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.807 -4.634 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.648 -3.300 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.914 -4.466 4.942 1.00 0.00 H new ATOM 1607 N GLY A 105 8.599 -7.351 2.458 1.00 0.00 N ATOM 1608 CA GLY A 105 8.978 -8.764 2.531 1.00 0.00 C ATOM 1609 C GLY A 105 7.794 -9.726 2.423 1.00 0.00 C ATOM 1610 O GLY A 105 7.911 -10.811 1.842 1.00 0.00 O ATOM 0 H GLY A 105 8.752 -6.919 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.686 -8.983 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.496 -8.944 3.473 1.00 0.00 H new ATOM 1614 N LYS A 106 6.658 -9.323 2.981 1.00 0.00 N ATOM 1615 CA LYS A 106 5.441 -10.140 3.012 1.00 0.00 C ATOM 1616 C LYS A 106 4.935 -10.508 1.600 1.00 0.00 C ATOM 1617 O LYS A 106 5.276 -9.863 0.607 1.00 0.00 O ATOM 1618 CB LYS A 106 4.359 -9.376 3.789 1.00 0.00 C ATOM 1619 CG LYS A 106 3.008 -10.074 3.865 1.00 0.00 C ATOM 1620 CD LYS A 106 1.971 -9.197 4.556 1.00 0.00 C ATOM 1621 CE LYS A 106 0.573 -9.792 4.463 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.448 -11.075 5.204 1.00 0.00 N ATOM 0 H LYS A 106 6.550 -8.413 3.429 1.00 0.00 H new ATOM 0 HA LYS A 106 5.674 -11.082 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.717 -9.199 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.221 -8.399 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.667 -10.321 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.112 -11.014 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.243 -9.070 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.975 -8.205 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.149 -9.077 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.321 -9.956 3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.544 -11.386 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.042 -11.798 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.759 -10.940 6.187 1.00 0.00 H new ATOM 1636 N GLU A 107 4.122 -11.562 1.534 1.00 0.00 N ATOM 1637 CA GLU A 107 3.533 -12.040 0.276 1.00 0.00 C ATOM 1638 C GLU A 107 1.996 -12.112 0.378 1.00 0.00 C ATOM 1639 O GLU A 107 1.451 -12.313 1.466 1.00 0.00 O ATOM 1640 CB GLU A 107 4.096 -13.429 -0.081 1.00 0.00 C ATOM 1641 CG GLU A 107 3.800 -14.524 0.951 1.00 0.00 C ATOM 1642 CD GLU A 107 4.561 -14.341 2.261 1.00 0.00 C ATOM 1643 OE1 GLU A 107 5.749 -14.716 2.317 1.00 0.00 O ATOM 1644 OE2 GLU A 107 3.981 -13.813 3.237 1.00 0.00 O ATOM 0 H GLU A 107 3.851 -12.111 2.350 1.00 0.00 H new ATOM 0 HA GLU A 107 3.795 -11.332 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.687 -13.736 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.176 -13.348 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.730 -14.538 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.054 -15.494 0.524 1.00 0.00 H new ATOM 1651 N PRO A 108 1.274 -11.942 -0.752 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.203 -12.022 -0.773 1.00 0.00 C ATOM 1653 C PRO A 108 -0.741 -13.421 -0.416 1.00 0.00 C ATOM 1654 O PRO A 108 -0.436 -14.412 -1.087 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.561 -11.660 -2.226 1.00 0.00 C ATOM 1656 CG PRO A 108 0.677 -11.947 -3.009 1.00 0.00 C ATOM 1657 CD PRO A 108 1.830 -11.645 -2.088 1.00 0.00 C ATOM 0 HA PRO A 108 -0.648 -11.362 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.402 -12.253 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.849 -10.612 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.700 -12.987 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.723 -11.330 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.698 -12.265 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.151 -10.607 -2.170 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.549 -13.491 0.641 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.155 -14.754 1.079 1.00 0.00 C ATOM 1667 C ALA A 109 -3.211 -15.266 0.085 1.00 0.00 C ATOM 1668 O ALA A 109 -3.880 -14.484 -0.597 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.776 -14.584 2.461 1.00 0.00 C ATOM 0 H ALA A 109 -1.802 -12.686 1.214 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.361 -15.499 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.223 -15.526 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.004 -14.291 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.545 -13.813 2.422 1.00 0.00 H new