USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 636 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 9 LYS NZ :NH3+ -132:sc= 0.965 (180deg=0.771) USER MOD Set 1.2: A 54 THR OG1 : rot -151:sc= -0.232 USER MOD Single : A 16 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.38) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 20 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.66) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 168:sc= -0.571 (180deg=-1.31) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.785 (180deg=0.678) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.141 K(o=0.14,f=-0.77) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.0224 (180deg=-0.0224) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc=-0.00979 K(o=-0.0098,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 158:sc= -1.18 (180deg=-2.58) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0447 F(o=-1.4,f=-0.045) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0134) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.02) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.684 6.226 6.875 1.00 0.00 N ATOM 112 CA LYS A 9 10.645 7.563 6.251 1.00 0.00 C ATOM 113 C LYS A 9 9.462 7.680 5.291 1.00 0.00 C ATOM 114 O LYS A 9 9.187 6.766 4.515 1.00 0.00 O ATOM 115 CB LYS A 9 12.008 7.895 5.616 1.00 0.00 C ATOM 116 CG LYS A 9 12.196 9.407 5.402 1.00 0.00 C ATOM 117 CD LYS A 9 13.683 9.781 5.284 1.00 0.00 C ATOM 118 CE LYS A 9 13.859 11.306 5.388 1.00 0.00 C ATOM 119 NZ LYS A 9 15.052 11.667 6.195 1.00 0.00 N ATOM 0 HA LYS A 9 10.475 8.322 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.806 7.518 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.096 7.380 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.670 9.715 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.748 9.951 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.253 9.288 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.080 9.426 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.954 11.730 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.969 11.745 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.793 12.394 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.405 10.823 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.795 12.037 5.569 1.00 0.00 H new ATOM 133 N LEU A 10 8.761 8.806 5.389 1.00 0.00 N ATOM 134 CA LEU A 10 7.449 8.979 4.753 1.00 0.00 C ATOM 135 C LEU A 10 7.410 10.173 3.807 1.00 0.00 C ATOM 136 O LEU A 10 7.952 11.217 4.144 1.00 0.00 O ATOM 137 CB LEU A 10 6.373 9.187 5.837 1.00 0.00 C ATOM 138 CG LEU A 10 5.601 7.924 6.166 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.413 6.832 6.808 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.320 8.171 6.970 1.00 0.00 C ATOM 0 H LEU A 10 9.081 9.624 5.908 1.00 0.00 H new ATOM 0 HA LEU A 10 7.258 8.077 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.848 9.561 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.675 9.955 5.504 1.00 0.00 H new ATOM 0 HG LEU A 10 5.315 7.563 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.774 5.971 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.221 6.538 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.833 7.194 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.824 7.220 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.571 8.651 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.652 8.818 6.401 1.00 0.00 H new ATOM 152 N PHE A 11 6.719 10.032 2.678 1.00 0.00 N ATOM 153 CA PHE A 11 6.428 11.090 1.711 1.00 0.00 C ATOM 154 C PHE A 11 4.957 11.495 1.897 1.00 0.00 C ATOM 155 O PHE A 11 4.060 10.643 1.810 1.00 0.00 O ATOM 156 CB PHE A 11 6.640 10.517 0.293 1.00 0.00 C ATOM 157 CG PHE A 11 6.200 11.332 -0.923 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.070 12.741 -0.916 1.00 0.00 C ATOM 159 CD2 PHE A 11 5.939 10.635 -2.121 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.670 13.424 -2.078 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.559 11.322 -3.288 1.00 0.00 C ATOM 162 CZ PHE A 11 5.427 12.717 -3.267 1.00 0.00 C ATOM 0 H PHE A 11 6.327 9.133 2.398 1.00 0.00 H new ATOM 0 HA PHE A 11 7.075 11.956 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.704 10.311 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.123 9.558 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.279 13.295 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.032 9.559 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.549 14.497 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.369 10.775 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.139 13.247 -4.163 1.00 0.00 H new ATOM 172 N ILE A 12 4.738 12.799 2.153 1.00 0.00 N ATOM 173 CA ILE A 12 3.402 13.355 2.138 1.00 0.00 C ATOM 174 C ILE A 12 3.389 14.213 0.903 1.00 0.00 C ATOM 175 O ILE A 12 4.239 15.097 0.683 1.00 0.00 O ATOM 176 CB ILE A 12 3.060 14.170 3.401 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.291 13.307 4.408 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.141 15.383 3.158 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.877 11.934 4.713 1.00 0.00 C ATOM 0 H ILE A 12 5.474 13.471 2.370 1.00 0.00 H new ATOM 0 HA ILE A 12 2.644 12.572 2.129 1.00 0.00 H new ATOM 0 HB ILE A 12 4.033 14.508 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.214 13.861 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.276 13.170 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.956 15.894 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.622 16.070 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.194 15.044 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.244 11.421 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.927 11.348 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.880 12.050 5.125 1.00 0.00 H new ATOM 191 N GLY A 13 2.373 13.901 0.120 1.00 0.00 N ATOM 192 CA GLY A 13 2.091 14.572 -1.103 1.00 0.00 C ATOM 193 C GLY A 13 0.911 15.484 -0.913 1.00 0.00 C ATOM 194 O GLY A 13 -0.198 15.062 -0.577 1.00 0.00 O ATOM 0 H GLY A 13 1.714 13.153 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.960 15.146 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.881 13.846 -1.888 1.00 0.00 H new ATOM 198 N GLY A 14 1.232 16.747 -1.150 1.00 0.00 N ATOM 199 CA GLY A 14 0.241 17.799 -1.185 1.00 0.00 C ATOM 200 C GLY A 14 0.868 19.124 -1.056 1.00 0.00 C ATOM 201 O GLY A 14 1.409 19.626 -2.041 1.00 0.00 O ATOM 0 H GLY A 14 2.186 17.066 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.316 17.747 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.477 17.653 -0.378 1.00 0.00 H new ATOM 205 N LEU A 15 0.807 19.597 0.170 1.00 0.00 N ATOM 206 CA LEU A 15 1.429 20.854 0.568 1.00 0.00 C ATOM 207 C LEU A 15 0.940 22.119 -0.070 1.00 0.00 C ATOM 208 O LEU A 15 0.837 23.127 0.619 1.00 0.00 O ATOM 209 CB LEU A 15 2.926 20.765 0.282 1.00 0.00 C ATOM 210 CG LEU A 15 3.704 19.701 1.052 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.298 19.673 2.503 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.406 18.314 0.504 1.00 0.00 C ATOM 0 H LEU A 15 0.321 19.120 0.930 1.00 0.00 H new ATOM 0 HA LEU A 15 1.159 20.945 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.059 20.581 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.373 21.736 0.496 1.00 0.00 H new ATOM 0 HG LEU A 15 4.759 19.954 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.869 18.906 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.497 20.645 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.234 19.449 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.971 17.571 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.340 18.107 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.693 18.268 -0.546 1.00 0.00 H new ATOM 224 N ASN A 16 0.469 22.018 -1.297 1.00 0.00 N ATOM 225 CA ASN A 16 -0.265 22.983 -2.056 1.00 0.00 C ATOM 226 C ASN A 16 0.342 24.402 -2.065 1.00 0.00 C ATOM 227 O ASN A 16 -0.332 25.382 -2.378 1.00 0.00 O ATOM 228 CB ASN A 16 -1.672 22.815 -1.481 1.00 0.00 C ATOM 229 CG ASN A 16 -2.747 23.752 -2.013 1.00 0.00 C ATOM 230 OD1 ASN A 16 -3.504 24.348 -1.267 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.897 23.861 -3.316 1.00 0.00 N ATOM 0 H ASN A 16 0.612 21.163 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.249 22.822 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.994 21.790 -1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.615 22.943 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.644 24.442 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.266 23.364 -3.945 1.00 0.00 H new ATOM 238 N ARG A 17 1.632 24.497 -1.708 1.00 0.00 N ATOM 239 CA ARG A 17 2.342 25.736 -1.359 1.00 0.00 C ATOM 240 C ARG A 17 1.535 26.596 -0.364 1.00 0.00 C ATOM 241 O ARG A 17 1.596 27.825 -0.354 1.00 0.00 O ATOM 242 CB ARG A 17 2.847 26.409 -2.647 1.00 0.00 C ATOM 243 CG ARG A 17 3.901 25.510 -3.330 1.00 0.00 C ATOM 244 CD ARG A 17 3.518 24.856 -4.667 1.00 0.00 C ATOM 245 NE ARG A 17 2.407 23.883 -4.653 1.00 0.00 N ATOM 246 CZ ARG A 17 1.262 24.014 -5.296 1.00 0.00 C ATOM 247 NH1 ARG A 17 0.807 25.162 -5.710 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.558 22.953 -5.544 1.00 0.00 N ATOM 0 H ARG A 17 2.235 23.676 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 17 3.246 25.533 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.013 26.587 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.281 27.381 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.798 26.108 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.169 24.717 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.262 25.649 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.401 24.354 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 17 2.536 23.037 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.342 26.014 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.085 25.209 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.892 22.037 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.330 23.034 -6.040 1.00 0.00 H new ATOM 262 N GLU A 18 0.785 25.895 0.489 1.00 0.00 N ATOM 263 CA GLU A 18 -0.189 26.331 1.460 1.00 0.00 C ATOM 264 C GLU A 18 0.230 25.934 2.884 1.00 0.00 C ATOM 265 O GLU A 18 0.340 26.808 3.749 1.00 0.00 O ATOM 266 CB GLU A 18 -1.436 25.564 1.057 1.00 0.00 C ATOM 267 CG GLU A 18 -2.642 25.928 1.878 1.00 0.00 C ATOM 268 CD GLU A 18 -3.118 27.385 1.695 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.521 27.777 0.573 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.091 28.157 2.684 1.00 0.00 O ATOM 0 H GLU A 18 0.867 24.878 0.507 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.318 27.413 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.649 25.755 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.246 24.495 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.460 25.256 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.414 25.762 2.931 1.00 0.00 H new ATOM 277 N THR A 19 0.500 24.637 3.119 1.00 0.00 N ATOM 278 CA THR A 19 0.866 24.144 4.474 1.00 0.00 C ATOM 279 C THR A 19 2.352 23.784 4.664 1.00 0.00 C ATOM 280 O THR A 19 3.130 23.810 3.707 1.00 0.00 O ATOM 281 CB THR A 19 -0.098 23.056 4.954 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.108 23.029 6.362 1.00 0.00 O ATOM 283 CG2 THR A 19 0.241 21.658 4.455 1.00 0.00 C ATOM 0 H THR A 19 0.474 23.912 2.401 1.00 0.00 H new ATOM 0 HA THR A 19 0.742 25.001 5.136 1.00 0.00 H new ATOM 0 HB THR A 19 -1.072 23.317 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.726 22.334 6.671 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.490 20.947 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.220 21.646 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.236 21.379 4.802 1.00 0.00 H new ATOM 291 N ASN A 20 2.751 23.467 5.910 1.00 0.00 N ATOM 292 CA ASN A 20 4.181 23.401 6.289 1.00 0.00 C ATOM 293 C ASN A 20 4.441 22.474 7.493 1.00 0.00 C ATOM 294 O ASN A 20 3.623 21.623 7.834 1.00 0.00 O ATOM 295 CB ASN A 20 4.712 24.832 6.596 1.00 0.00 C ATOM 296 CG ASN A 20 4.548 25.856 5.482 1.00 0.00 C ATOM 297 OD1 ASN A 20 5.343 25.936 4.557 1.00 0.00 O ATOM 298 ND2 ASN A 20 3.540 26.699 5.553 1.00 0.00 N ATOM 0 H ASN A 20 2.108 23.253 6.672 1.00 0.00 H new ATOM 0 HA ASN A 20 4.717 22.975 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.202 25.205 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.771 24.760 6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.424 27.417 4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.875 26.635 6.324 1.00 0.00 H new ATOM 305 N GLU A 21 5.613 22.575 8.131 1.00 0.00 N ATOM 306 CA GLU A 21 6.006 21.642 9.202 1.00 0.00 C ATOM 307 C GLU A 21 5.037 21.490 10.404 1.00 0.00 C ATOM 308 O GLU A 21 5.000 20.483 11.129 1.00 0.00 O ATOM 309 CB GLU A 21 7.482 21.812 9.530 1.00 0.00 C ATOM 310 CG GLU A 21 7.890 21.432 10.950 1.00 0.00 C ATOM 311 CD GLU A 21 7.592 22.492 12.031 1.00 0.00 C ATOM 312 OE1 GLU A 21 7.086 23.596 11.715 1.00 0.00 O ATOM 313 OE2 GLU A 21 7.886 22.219 13.217 1.00 0.00 O ATOM 0 H GLU A 21 6.308 23.293 7.926 1.00 0.00 H new ATOM 0 HA GLU A 21 5.884 20.639 8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.063 21.210 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.756 22.853 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.380 20.508 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.959 21.220 10.958 1.00 0.00 H new ATOM 320 N LYS A 22 4.186 22.496 10.540 1.00 0.00 N ATOM 321 CA LYS A 22 2.986 22.398 11.377 1.00 0.00 C ATOM 322 C LYS A 22 2.162 21.168 10.966 1.00 0.00 C ATOM 323 O LYS A 22 1.950 20.276 11.788 1.00 0.00 O ATOM 324 CB LYS A 22 2.192 23.681 11.270 1.00 0.00 C ATOM 325 CG LYS A 22 1.014 23.613 12.240 1.00 0.00 C ATOM 326 CD LYS A 22 0.671 25.006 12.720 1.00 0.00 C ATOM 327 CE LYS A 22 1.461 25.172 14.002 1.00 0.00 C ATOM 328 NZ LYS A 22 1.904 26.572 14.237 1.00 0.00 N ATOM 0 H LYS A 22 4.301 23.399 10.080 1.00 0.00 H new ATOM 0 HA LYS A 22 3.265 22.266 12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.825 24.537 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.834 23.819 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.151 23.164 11.749 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.265 22.976 13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.949 25.759 11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.399 25.112 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.850 24.844 14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.335 24.521 13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.439 26.622 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.511 26.881 13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.073 27.194 14.297 1.00 0.00 H new ATOM 342 N MET A 23 1.786 21.106 9.674 1.00 0.00 N ATOM 343 CA MET A 23 1.206 19.887 9.132 1.00 0.00 C ATOM 344 C MET A 23 2.116 18.688 9.345 1.00 0.00 C ATOM 345 O MET A 23 1.663 17.556 9.380 1.00 0.00 O ATOM 346 CB MET A 23 0.952 20.049 7.647 1.00 0.00 C ATOM 347 CG MET A 23 1.844 19.247 6.758 1.00 0.00 C ATOM 348 SD MET A 23 1.449 17.608 6.132 1.00 0.00 S ATOM 349 CE MET A 23 0.388 18.195 4.783 1.00 0.00 C ATOM 0 H MET A 23 1.875 21.873 9.008 1.00 0.00 H new ATOM 0 HA MET A 23 0.269 19.711 9.660 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.082 19.775 7.440 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.061 21.102 7.389 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.034 19.867 5.882 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.790 19.147 7.290 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.178 17.371 4.101 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.548 18.573 5.194 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.896 18.994 4.242 1.00 0.00 H new ATOM 359 N LEU A 24 3.424 18.903 9.243 1.00 0.00 N ATOM 360 CA LEU A 24 4.347 17.784 9.301 1.00 0.00 C ATOM 361 C LEU A 24 4.160 16.967 10.579 1.00 0.00 C ATOM 362 O LEU A 24 3.598 15.864 10.564 1.00 0.00 O ATOM 363 CB LEU A 24 5.787 18.232 9.039 1.00 0.00 C ATOM 364 CG LEU A 24 6.170 18.439 7.568 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.313 17.100 6.988 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.214 19.039 6.561 1.00 0.00 C ATOM 0 H LEU A 24 3.857 19.819 9.123 1.00 0.00 H new ATOM 0 HA LEU A 24 4.110 17.097 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.959 19.166 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.461 17.491 9.468 1.00 0.00 H new ATOM 0 HG LEU A 24 7.004 19.132 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.586 17.186 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.091 16.554 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.368 16.563 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.698 19.090 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.321 18.417 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.933 20.043 6.879 1.00 0.00 H new ATOM 378 N LYS A 25 4.537 17.551 11.716 1.00 0.00 N ATOM 379 CA LYS A 25 4.275 16.932 13.013 1.00 0.00 C ATOM 380 C LYS A 25 2.807 16.609 13.220 1.00 0.00 C ATOM 381 O LYS A 25 2.527 15.588 13.837 1.00 0.00 O ATOM 382 CB LYS A 25 4.795 17.814 14.129 1.00 0.00 C ATOM 383 CG LYS A 25 6.344 17.853 14.081 1.00 0.00 C ATOM 384 CD LYS A 25 7.035 17.201 15.284 1.00 0.00 C ATOM 385 CE LYS A 25 7.085 15.663 15.212 1.00 0.00 C ATOM 386 NZ LYS A 25 7.594 15.063 16.477 1.00 0.00 N ATOM 0 H LYS A 25 5.022 18.447 11.765 1.00 0.00 H new ATOM 0 HA LYS A 25 4.808 15.981 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.392 18.822 14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.460 17.433 15.094 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.679 17.354 13.172 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.667 18.892 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.052 17.585 15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.514 17.496 16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.087 15.277 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.724 15.359 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.424 14.037 16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.615 15.244 16.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.099 15.489 17.287 1.00 0.00 H new ATOM 400 N ALA A 26 1.900 17.410 12.659 1.00 0.00 N ATOM 401 CA ALA A 26 0.486 17.080 12.637 1.00 0.00 C ATOM 402 C ALA A 26 0.208 15.677 12.025 1.00 0.00 C ATOM 403 O ALA A 26 0.105 14.647 12.707 1.00 0.00 O ATOM 404 CB ALA A 26 -0.256 18.181 11.832 1.00 0.00 C ATOM 0 H ALA A 26 2.129 18.298 12.212 1.00 0.00 H new ATOM 0 HA ALA A 26 0.123 17.040 13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.322 17.954 11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.104 19.148 12.312 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.136 18.215 10.816 1.00 0.00 H new ATOM 410 N VAL A 27 0.156 15.695 10.692 1.00 0.00 N ATOM 411 CA VAL A 27 -0.292 14.561 9.887 1.00 0.00 C ATOM 412 C VAL A 27 0.480 13.315 10.212 1.00 0.00 C ATOM 413 O VAL A 27 -0.086 12.243 10.387 1.00 0.00 O ATOM 414 CB VAL A 27 -0.006 14.929 8.413 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.014 13.832 7.360 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.939 16.017 7.960 1.00 0.00 C ATOM 0 H VAL A 27 0.427 16.507 10.137 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.347 14.368 10.082 1.00 0.00 H new ATOM 0 HB VAL A 27 1.040 15.233 8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.205 14.264 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.743 13.087 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.995 13.358 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.728 16.268 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.969 15.673 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.797 16.901 8.582 1.00 0.00 H new ATOM 426 N PHE A 28 1.794 13.436 10.226 1.00 0.00 N ATOM 427 CA PHE A 28 2.633 12.324 10.580 1.00 0.00 C ATOM 428 C PHE A 28 2.568 11.915 12.054 1.00 0.00 C ATOM 429 O PHE A 28 2.461 10.727 12.363 1.00 0.00 O ATOM 430 CB PHE A 28 4.012 12.680 10.082 1.00 0.00 C ATOM 431 CG PHE A 28 4.210 12.940 8.585 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.834 14.163 7.984 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.959 12.030 7.821 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.290 14.507 6.707 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.496 12.423 6.581 1.00 0.00 C ATOM 436 CZ PHE A 28 5.208 13.685 6.050 1.00 0.00 C ATOM 0 H PHE A 28 2.296 14.294 9.996 1.00 0.00 H new ATOM 0 HA PHE A 28 2.279 11.410 10.104 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.337 13.572 10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.686 11.873 10.369 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.185 14.841 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.123 11.027 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.932 15.407 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.135 11.745 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.690 14.019 5.143 1.00 0.00 H new ATOM 446 N GLY A 29 2.645 12.875 12.982 1.00 0.00 N ATOM 447 CA GLY A 29 2.421 12.562 14.398 1.00 0.00 C ATOM 448 C GLY A 29 1.094 11.897 14.717 1.00 0.00 C ATOM 449 O GLY A 29 0.947 11.364 15.819 1.00 0.00 O ATOM 0 H GLY A 29 2.856 13.854 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.226 11.911 14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.492 13.486 14.972 1.00 0.00 H new ATOM 453 N LYS A 30 0.137 11.929 13.776 1.00 0.00 N ATOM 454 CA LYS A 30 -1.165 11.241 13.951 1.00 0.00 C ATOM 455 C LYS A 30 -1.130 9.802 14.456 1.00 0.00 C ATOM 456 O LYS A 30 -2.150 9.309 14.942 1.00 0.00 O ATOM 457 CB LYS A 30 -1.926 11.201 12.635 1.00 0.00 C ATOM 458 CG LYS A 30 -2.469 12.590 12.287 1.00 0.00 C ATOM 459 CD LYS A 30 -3.768 12.878 13.029 1.00 0.00 C ATOM 460 CE LYS A 30 -4.281 14.272 12.652 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.374 14.720 13.559 1.00 0.00 N ATOM 0 H LYS A 30 0.234 12.420 12.887 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.641 11.842 14.726 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.269 10.851 11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.749 10.490 12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.727 13.347 12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.639 12.658 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.515 12.125 12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.604 12.819 14.105 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.458 14.986 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.643 14.261 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.696 15.667 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.169 14.052 13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.021 14.754 14.537 1.00 0.00 H new ATOM 475 N HIS A 31 0.012 9.136 14.332 1.00 0.00 N ATOM 476 CA HIS A 31 0.208 7.845 14.981 1.00 0.00 C ATOM 477 C HIS A 31 1.643 7.515 15.457 1.00 0.00 C ATOM 478 O HIS A 31 1.886 6.360 15.815 1.00 0.00 O ATOM 479 CB HIS A 31 -0.377 6.720 14.101 1.00 0.00 C ATOM 480 CG HIS A 31 -1.129 5.688 14.908 1.00 0.00 C ATOM 481 ND1 HIS A 31 -0.769 5.202 16.146 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.314 5.090 14.577 1.00 0.00 C ATOM 483 CE1 HIS A 31 -1.715 4.345 16.559 1.00 0.00 C ATOM 484 NE2 HIS A 31 -2.688 4.244 15.634 1.00 0.00 N ATOM 0 H HIS A 31 0.812 9.466 13.792 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.341 7.920 15.920 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.046 7.154 13.358 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.431 6.232 13.555 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.075 5.452 16.662 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.866 5.242 13.661 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.698 3.813 17.499 1.00 0.00 H new ATOM 492 N GLY A 32 2.615 8.444 15.480 1.00 0.00 N ATOM 493 CA GLY A 32 3.997 8.101 15.791 1.00 0.00 C ATOM 494 C GLY A 32 4.842 9.238 16.372 1.00 0.00 C ATOM 495 O GLY A 32 4.352 10.353 16.563 1.00 0.00 O ATOM 0 H GLY A 32 2.461 9.433 15.286 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.997 7.273 16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.478 7.742 14.881 1.00 0.00 H new ATOM 499 N PRO A 33 6.120 8.938 16.666 1.00 0.00 N ATOM 500 CA PRO A 33 7.057 9.836 17.330 1.00 0.00 C ATOM 501 C PRO A 33 7.556 10.993 16.442 1.00 0.00 C ATOM 502 O PRO A 33 7.189 12.149 16.673 1.00 0.00 O ATOM 503 CB PRO A 33 8.213 8.921 17.789 1.00 0.00 C ATOM 504 CG PRO A 33 8.170 7.735 16.816 1.00 0.00 C ATOM 505 CD PRO A 33 6.673 7.603 16.555 1.00 0.00 C ATOM 0 HA PRO A 33 6.572 10.353 18.158 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.171 9.438 17.743 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.076 8.594 18.820 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.729 7.935 15.902 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.590 6.830 17.255 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.486 7.186 15.565 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.211 6.930 17.277 1.00 0.00 H new ATOM 513 N ILE A 34 8.454 10.675 15.492 1.00 0.00 N ATOM 514 CA ILE A 34 8.953 11.649 14.506 1.00 0.00 C ATOM 515 C ILE A 34 10.178 12.399 15.043 1.00 0.00 C ATOM 516 O ILE A 34 10.035 13.270 15.904 1.00 0.00 O ATOM 517 CB ILE A 34 7.919 12.517 13.762 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.912 11.749 12.907 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.707 13.475 12.852 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.767 11.219 13.764 1.00 0.00 C ATOM 0 H ILE A 34 8.852 9.742 15.387 1.00 0.00 H new ATOM 0 HA ILE A 34 9.283 11.037 13.666 1.00 0.00 H new ATOM 0 HB ILE A 34 7.323 13.021 14.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.517 12.401 12.128 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.411 10.920 12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.012 14.111 12.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.365 14.096 13.460 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.304 12.898 12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.062 10.676 13.134 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.163 10.549 14.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.256 12.053 14.244 1.00 0.00 H new ATOM 532 N SER A 35 11.371 12.052 14.559 1.00 0.00 N ATOM 533 CA SER A 35 12.628 12.732 14.914 1.00 0.00 C ATOM 534 C SER A 35 13.405 13.214 13.683 1.00 0.00 C ATOM 535 O SER A 35 14.586 13.553 13.794 1.00 0.00 O ATOM 536 CB SER A 35 13.471 11.858 15.846 1.00 0.00 C ATOM 537 OG SER A 35 12.898 11.811 17.142 1.00 0.00 O ATOM 0 H SER A 35 11.499 11.283 13.902 1.00 0.00 H new ATOM 0 HA SER A 35 12.371 13.638 15.463 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.545 10.850 15.439 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.485 12.253 15.905 1.00 0.00 H new ATOM 0 HG SER A 35 13.449 11.247 17.723 1.00 0.00 H new ATOM 543 N GLU A 36 12.776 13.265 12.502 1.00 0.00 N ATOM 544 CA GLU A 36 13.346 13.987 11.350 1.00 0.00 C ATOM 545 C GLU A 36 12.234 14.617 10.506 1.00 0.00 C ATOM 546 O GLU A 36 11.250 13.941 10.214 1.00 0.00 O ATOM 547 CB GLU A 36 14.220 13.049 10.508 1.00 0.00 C ATOM 548 CG GLU A 36 15.461 13.694 9.894 1.00 0.00 C ATOM 549 CD GLU A 36 15.156 14.596 8.692 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.988 14.060 7.570 1.00 0.00 O ATOM 551 OE2 GLU A 36 15.140 15.831 8.877 1.00 0.00 O ATOM 0 H GLU A 36 11.878 12.819 12.316 1.00 0.00 H new ATOM 0 HA GLU A 36 13.980 14.792 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.536 12.214 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.611 12.634 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.970 14.282 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.151 12.910 9.583 1.00 0.00 H new ATOM 558 N VAL A 37 12.366 15.892 10.123 1.00 0.00 N ATOM 559 CA VAL A 37 11.301 16.674 9.470 1.00 0.00 C ATOM 560 C VAL A 37 11.837 17.466 8.274 1.00 0.00 C ATOM 561 O VAL A 37 12.765 18.267 8.410 1.00 0.00 O ATOM 562 CB VAL A 37 10.602 17.628 10.463 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.396 18.291 9.786 1.00 0.00 C ATOM 564 CG2 VAL A 37 10.091 16.926 11.731 1.00 0.00 C ATOM 0 H VAL A 37 13.228 16.421 10.258 1.00 0.00 H new ATOM 0 HA VAL A 37 10.565 15.956 9.108 1.00 0.00 H new ATOM 0 HB VAL A 37 11.358 18.356 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.907 18.963 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.732 18.858 8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.691 17.524 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.611 17.656 12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.370 16.157 11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.929 16.467 12.255 1.00 0.00 H new ATOM 574 N LEU A 38 11.217 17.262 7.109 1.00 0.00 N ATOM 575 CA LEU A 38 11.674 17.740 5.806 1.00 0.00 C ATOM 576 C LEU A 38 10.550 18.356 4.957 1.00 0.00 C ATOM 577 O LEU A 38 9.457 17.800 4.837 1.00 0.00 O ATOM 578 CB LEU A 38 12.308 16.576 5.034 1.00 0.00 C ATOM 579 CG LEU A 38 13.127 16.989 3.805 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.354 17.789 4.187 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.701 15.770 3.109 1.00 0.00 C ATOM 0 H LEU A 38 10.345 16.736 7.048 1.00 0.00 H new ATOM 0 HA LEU A 38 12.401 18.530 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.953 16.018 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.517 15.897 4.715 1.00 0.00 H new ATOM 0 HG LEU A 38 12.440 17.560 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.906 18.061 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.049 18.694 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.992 17.189 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.278 16.085 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.349 15.229 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.889 15.118 2.788 1.00 0.00 H new ATOM 593 N LEU A 39 10.856 19.498 4.343 1.00 0.00 N ATOM 594 CA LEU A 39 10.042 20.154 3.315 1.00 0.00 C ATOM 595 C LEU A 39 10.920 20.286 2.057 1.00 0.00 C ATOM 596 O LEU A 39 12.083 20.683 2.179 1.00 0.00 O ATOM 597 CB LEU A 39 9.568 21.563 3.748 1.00 0.00 C ATOM 598 CG LEU A 39 8.864 21.812 5.095 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.622 20.952 5.260 1.00 0.00 C ATOM 600 CD2 LEU A 39 9.764 21.650 6.322 1.00 0.00 C ATOM 0 H LEU A 39 11.710 20.013 4.555 1.00 0.00 H new ATOM 0 HA LEU A 39 9.148 19.556 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.446 22.209 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.893 21.920 2.970 1.00 0.00 H new ATOM 0 HG LEU A 39 8.577 22.862 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.159 21.162 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.915 21.177 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.900 19.899 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.186 21.844 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.157 20.634 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.591 22.357 6.262 1.00 0.00 H new ATOM 612 N ILE A 40 10.402 19.971 0.865 1.00 0.00 N ATOM 613 CA ILE A 40 11.229 19.901 -0.341 1.00 0.00 C ATOM 614 C ILE A 40 10.970 21.130 -1.209 1.00 0.00 C ATOM 615 O ILE A 40 9.788 21.433 -1.454 1.00 0.00 O ATOM 616 CB ILE A 40 10.923 18.610 -1.117 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.169 17.321 -0.300 1.00 0.00 C ATOM 618 CG2 ILE A 40 11.725 18.617 -2.429 1.00 0.00 C ATOM 619 CD1 ILE A 40 12.593 17.124 0.205 1.00 0.00 C ATOM 0 H ILE A 40 9.416 19.761 0.711 1.00 0.00 H new ATOM 0 HA ILE A 40 12.282 19.886 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 40 9.855 18.597 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.495 17.321 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.900 16.464 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.516 17.705 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.438 19.483 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.790 18.668 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.655 16.191 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.277 17.085 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.867 17.955 0.855 1.00 0.00 H new ATOM 631 N LYS A 41 12.124 21.715 -1.619 1.00 0.00 N ATOM 632 CA LYS A 41 12.191 23.030 -2.301 1.00 0.00 C ATOM 633 C LYS A 41 13.248 22.969 -3.451 1.00 0.00 C ATOM 634 O LYS A 41 13.353 21.951 -4.133 1.00 0.00 O ATOM 635 CB LYS A 41 12.559 24.123 -1.263 1.00 0.00 C ATOM 636 CG LYS A 41 11.728 24.147 0.031 1.00 0.00 C ATOM 637 CD LYS A 41 12.136 25.340 0.904 1.00 0.00 C ATOM 638 CE LYS A 41 11.331 25.354 2.207 1.00 0.00 C ATOM 639 NZ LYS A 41 11.692 26.523 3.053 1.00 0.00 N ATOM 0 H LYS A 41 13.039 21.284 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 41 11.224 23.277 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.608 23.998 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.468 25.096 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.667 24.211 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.874 23.218 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.201 25.286 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.972 26.270 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.266 25.383 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.513 24.432 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.130 26.505 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.704 26.481 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.495 27.402 2.533 1.00 0.00 H new ATOM 653 N ASP A 42 14.024 24.043 -3.676 1.00 0.00 N ATOM 654 CA ASP A 42 14.929 24.300 -4.831 1.00 0.00 C ATOM 655 C ASP A 42 15.777 25.557 -4.493 1.00 0.00 C ATOM 656 O ASP A 42 15.211 26.479 -3.925 1.00 0.00 O ATOM 657 CB ASP A 42 14.125 24.484 -6.135 1.00 0.00 C ATOM 658 CG ASP A 42 12.738 25.188 -6.098 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.034 25.195 -5.059 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.356 25.782 -7.131 1.00 0.00 O ATOM 0 H ASP A 42 14.043 24.817 -3.012 1.00 0.00 H new ATOM 0 HA ASP A 42 15.587 23.447 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.754 25.042 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.975 23.494 -6.567 1.00 0.00 H new ATOM 665 N ARG A 43 17.102 25.639 -4.745 1.00 0.00 N ATOM 666 CA ARG A 43 18.089 26.665 -4.253 1.00 0.00 C ATOM 667 C ARG A 43 18.106 26.964 -2.748 1.00 0.00 C ATOM 668 O ARG A 43 18.908 27.804 -2.358 1.00 0.00 O ATOM 669 CB ARG A 43 18.252 27.901 -5.140 1.00 0.00 C ATOM 670 CG ARG A 43 17.197 28.936 -4.839 1.00 0.00 C ATOM 671 CD ARG A 43 17.650 30.377 -4.728 1.00 0.00 C ATOM 672 NE ARG A 43 18.489 30.626 -3.534 1.00 0.00 N ATOM 673 CZ ARG A 43 18.283 31.560 -2.617 1.00 0.00 C ATOM 674 NH1 ARG A 43 17.354 32.461 -2.719 1.00 0.00 N ATOM 675 NH2 ARG A 43 19.002 31.642 -1.541 1.00 0.00 N ATOM 0 H ARG A 43 17.558 24.947 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 43 19.018 26.109 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 43 19.241 28.332 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 43 18.189 27.609 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.437 28.880 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.713 28.661 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.211 30.646 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.775 31.026 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 43 19.301 30.022 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.741 32.471 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.237 33.159 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.755 30.974 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.814 32.375 -0.857 1.00 0.00 H new ATOM 689 N THR A 44 17.255 26.244 -1.998 1.00 0.00 N ATOM 690 CA THR A 44 16.924 26.581 -0.600 1.00 0.00 C ATOM 691 C THR A 44 15.696 27.500 -0.599 1.00 0.00 C ATOM 692 O THR A 44 14.871 27.334 0.302 1.00 0.00 O ATOM 693 CB THR A 44 18.071 27.153 0.265 1.00 0.00 C ATOM 694 OG1 THR A 44 17.923 26.735 1.608 1.00 0.00 O ATOM 695 CG2 THR A 44 18.115 28.683 0.272 1.00 0.00 C ATOM 0 H THR A 44 16.776 25.412 -2.342 1.00 0.00 H new ATOM 0 HA THR A 44 16.712 25.633 -0.105 1.00 0.00 H new ATOM 0 HB THR A 44 18.992 26.777 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.655 27.101 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.942 29.020 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.257 29.048 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.178 29.072 0.669 1.00 0.00 H new ATOM 703 N SER A 45 15.437 28.243 -1.701 1.00 0.00 N ATOM 704 CA SER A 45 14.140 28.900 -1.921 1.00 0.00 C ATOM 705 C SER A 45 13.717 29.463 -3.316 1.00 0.00 C ATOM 706 O SER A 45 12.978 30.451 -3.372 1.00 0.00 O ATOM 707 CB SER A 45 13.855 29.907 -0.809 1.00 0.00 C ATOM 708 OG SER A 45 14.793 30.974 -0.822 1.00 0.00 O ATOM 0 H SER A 45 16.114 28.399 -2.448 1.00 0.00 H new ATOM 0 HA SER A 45 13.491 28.025 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.847 30.305 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.888 29.403 0.157 1.00 0.00 H new ATOM 0 HG SER A 45 14.583 31.603 -0.100 1.00 0.00 H new ATOM 714 N LYS A 46 14.132 28.876 -4.461 1.00 0.00 N ATOM 715 CA LYS A 46 13.426 29.097 -5.770 1.00 0.00 C ATOM 716 C LYS A 46 11.887 28.863 -5.503 1.00 0.00 C ATOM 717 O LYS A 46 11.061 29.636 -5.989 1.00 0.00 O ATOM 718 CB LYS A 46 13.992 28.210 -6.895 1.00 0.00 C ATOM 719 CG LYS A 46 15.122 28.706 -7.844 1.00 0.00 C ATOM 720 CD LYS A 46 15.976 27.482 -8.268 1.00 0.00 C ATOM 721 CE LYS A 46 17.078 27.613 -9.352 1.00 0.00 C ATOM 722 NZ LYS A 46 18.479 27.594 -8.851 1.00 0.00 N ATOM 0 H LYS A 46 14.938 28.253 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 46 13.586 30.113 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.355 27.297 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.150 27.929 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.695 29.193 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.743 29.446 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.458 27.102 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.283 26.712 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.956 26.800 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.918 28.544 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.135 27.687 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.623 28.385 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.659 26.696 -8.359 1.00 0.00 H new ATOM 736 N SER A 47 11.584 27.880 -4.615 1.00 0.00 N ATOM 737 CA SER A 47 10.284 27.791 -3.910 1.00 0.00 C ATOM 738 C SER A 47 9.118 26.932 -4.433 1.00 0.00 C ATOM 739 O SER A 47 8.265 27.408 -5.185 1.00 0.00 O ATOM 740 CB SER A 47 9.772 29.144 -3.388 1.00 0.00 C ATOM 741 OG SER A 47 8.933 28.930 -2.264 1.00 0.00 O ATOM 0 H SER A 47 12.233 27.132 -4.371 1.00 0.00 H new ATOM 0 HA SER A 47 10.643 27.147 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.612 29.781 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.222 29.664 -4.172 1.00 0.00 H new ATOM 0 HG SER A 47 8.608 29.792 -1.930 1.00 0.00 H new ATOM 747 N ARG A 48 9.080 25.660 -3.980 1.00 0.00 N ATOM 748 CA ARG A 48 7.965 24.712 -4.002 1.00 0.00 C ATOM 749 C ARG A 48 7.910 23.989 -2.642 1.00 0.00 C ATOM 750 O ARG A 48 8.711 24.272 -1.753 1.00 0.00 O ATOM 751 CB ARG A 48 7.979 23.812 -5.222 1.00 0.00 C ATOM 752 CG ARG A 48 8.987 22.698 -5.093 1.00 0.00 C ATOM 753 CD ARG A 48 8.830 21.819 -6.308 1.00 0.00 C ATOM 754 NE ARG A 48 7.686 20.900 -6.215 1.00 0.00 N ATOM 755 CZ ARG A 48 7.511 19.720 -6.777 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.412 19.074 -7.452 1.00 0.00 N ATOM 757 NH2 ARG A 48 6.365 19.132 -6.667 1.00 0.00 N ATOM 0 H ARG A 48 9.907 25.242 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 48 7.021 25.245 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.986 23.387 -5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.207 24.406 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.999 23.098 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.817 22.128 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.712 22.448 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.742 21.240 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 48 6.915 21.222 -5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.340 19.477 -7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.192 18.163 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.609 19.581 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.217 18.219 -7.097 1.00 0.00 H new ATOM 771 N GLY A 49 6.916 23.129 -2.469 1.00 0.00 N ATOM 772 CA GLY A 49 6.652 22.349 -1.243 1.00 0.00 C ATOM 773 C GLY A 49 6.299 20.857 -1.402 1.00 0.00 C ATOM 774 O GLY A 49 5.234 20.551 -1.931 1.00 0.00 O ATOM 0 H GLY A 49 6.235 22.939 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.534 22.418 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.834 22.832 -0.709 1.00 0.00 H new ATOM 778 N PHE A 50 7.166 19.930 -0.975 1.00 0.00 N ATOM 779 CA PHE A 50 6.769 18.488 -0.760 1.00 0.00 C ATOM 780 C PHE A 50 7.288 17.861 0.535 1.00 0.00 C ATOM 781 O PHE A 50 8.351 18.248 0.985 1.00 0.00 O ATOM 782 CB PHE A 50 6.737 17.624 -1.995 1.00 0.00 C ATOM 783 CG PHE A 50 7.968 17.258 -2.725 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.484 18.144 -3.684 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.425 15.946 -2.614 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.505 17.712 -4.539 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.485 15.539 -3.428 1.00 0.00 C ATOM 788 CZ PHE A 50 10.000 16.405 -4.406 1.00 0.00 C ATOM 0 H PHE A 50 8.145 20.127 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 50 5.701 18.541 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.249 16.691 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.083 18.122 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.097 19.149 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.970 15.260 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.906 18.375 -5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.910 14.554 -3.304 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.785 16.062 -5.063 1.00 0.00 H new ATOM 798 N ALA A 51 6.545 17.007 1.241 1.00 0.00 N ATOM 799 CA ALA A 51 6.889 16.660 2.624 1.00 0.00 C ATOM 800 C ALA A 51 7.501 15.297 2.816 1.00 0.00 C ATOM 801 O ALA A 51 7.063 14.312 2.234 1.00 0.00 O ATOM 802 CB ALA A 51 5.653 16.875 3.484 1.00 0.00 C ATOM 0 H ALA A 51 5.708 16.546 0.884 1.00 0.00 H new ATOM 0 HA ALA A 51 7.695 17.323 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.882 16.624 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.345 17.919 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.845 16.237 3.126 1.00 0.00 H new ATOM 808 N PHE A 52 8.553 15.275 3.632 1.00 0.00 N ATOM 809 CA PHE A 52 9.209 14.057 4.044 1.00 0.00 C ATOM 810 C PHE A 52 9.336 13.986 5.581 1.00 0.00 C ATOM 811 O PHE A 52 9.738 14.983 6.183 1.00 0.00 O ATOM 812 CB PHE A 52 10.531 13.967 3.334 1.00 0.00 C ATOM 813 CG PHE A 52 10.418 13.327 1.981 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.245 11.948 1.801 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.432 14.188 0.889 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.056 11.449 0.498 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.244 13.694 -0.405 1.00 0.00 C ATOM 818 CZ PHE A 52 10.032 12.323 -0.603 1.00 0.00 C ATOM 0 H PHE A 52 8.971 16.118 4.025 1.00 0.00 H new ATOM 0 HA PHE A 52 8.612 13.189 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.949 14.968 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.229 13.395 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.256 11.279 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.589 15.246 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.929 10.388 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.262 14.367 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.851 11.940 -1.596 1.00 0.00 H new ATOM 828 N ILE A 53 9.009 12.876 6.261 1.00 0.00 N ATOM 829 CA ILE A 53 9.255 12.781 7.722 1.00 0.00 C ATOM 830 C ILE A 53 9.871 11.430 8.113 1.00 0.00 C ATOM 831 O ILE A 53 9.426 10.403 7.605 1.00 0.00 O ATOM 832 CB ILE A 53 8.015 13.217 8.543 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.178 14.527 9.315 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.599 12.115 9.524 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.854 15.076 9.875 1.00 0.00 C ATOM 0 H ILE A 53 8.584 12.048 5.843 1.00 0.00 H new ATOM 0 HA ILE A 53 10.022 13.507 7.993 1.00 0.00 H new ATOM 0 HB ILE A 53 7.242 13.392 7.795 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.875 14.370 10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.623 15.274 8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.727 12.442 10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.353 11.209 8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.421 11.910 10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.043 16.006 10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.162 15.264 9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.417 14.347 10.557 1.00 0.00 H new ATOM 847 N THR A 54 10.892 11.410 8.980 1.00 0.00 N ATOM 848 CA THR A 54 11.416 10.150 9.549 1.00 0.00 C ATOM 849 C THR A 54 10.968 9.969 10.997 1.00 0.00 C ATOM 850 O THR A 54 11.092 10.870 11.846 1.00 0.00 O ATOM 851 CB THR A 54 12.947 10.024 9.504 1.00 0.00 C ATOM 852 OG1 THR A 54 13.451 10.583 8.319 1.00 0.00 O ATOM 853 CG2 THR A 54 13.449 8.583 9.530 1.00 0.00 C ATOM 0 H THR A 54 11.374 12.248 9.306 1.00 0.00 H new ATOM 0 HA THR A 54 11.000 9.371 8.910 1.00 0.00 H new ATOM 0 HB THR A 54 13.292 10.544 10.398 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.282 10.127 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.538 8.577 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.112 8.097 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.056 8.045 8.668 1.00 0.00 H new ATOM 861 N PHE A 55 10.507 8.738 11.245 1.00 0.00 N ATOM 862 CA PHE A 55 9.998 8.174 12.485 1.00 0.00 C ATOM 863 C PHE A 55 11.065 7.251 13.071 1.00 0.00 C ATOM 864 O PHE A 55 11.587 6.365 12.388 1.00 0.00 O ATOM 865 CB PHE A 55 8.777 7.282 12.193 1.00 0.00 C ATOM 866 CG PHE A 55 7.545 7.977 11.671 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.469 8.360 10.325 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.443 8.185 12.513 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.312 8.978 9.840 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.273 8.775 12.015 1.00 0.00 C ATOM 871 CZ PHE A 55 5.206 9.183 10.678 1.00 0.00 C ATOM 0 H PHE A 55 10.482 8.045 10.497 1.00 0.00 H new ATOM 0 HA PHE A 55 9.736 8.989 13.160 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.074 6.524 11.468 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.510 6.758 13.111 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.303 8.178 9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.496 7.889 13.550 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.270 9.301 8.810 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.422 8.915 12.664 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.311 9.651 10.295 1.00 0.00 H new ATOM 881 N GLU A 56 11.338 7.436 14.359 1.00 0.00 N ATOM 882 CA GLU A 56 12.252 6.557 15.095 1.00 0.00 C ATOM 883 C GLU A 56 11.948 5.036 15.013 1.00 0.00 C ATOM 884 O GLU A 56 12.865 4.244 15.244 1.00 0.00 O ATOM 885 CB GLU A 56 12.381 7.081 16.535 1.00 0.00 C ATOM 886 CG GLU A 56 12.930 8.515 16.582 1.00 0.00 C ATOM 887 CD GLU A 56 14.393 8.548 16.084 1.00 0.00 C ATOM 888 OE1 GLU A 56 15.323 8.303 16.886 1.00 0.00 O ATOM 889 OE2 GLU A 56 14.620 8.810 14.877 1.00 0.00 O ATOM 0 H GLU A 56 10.939 8.189 14.920 1.00 0.00 H new ATOM 0 HA GLU A 56 13.218 6.608 14.593 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.405 7.051 17.020 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.039 6.423 17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.314 9.168 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.877 8.898 17.601 1.00 0.00 H new ATOM 896 N ASN A 57 10.731 4.613 14.617 1.00 0.00 N ATOM 897 CA ASN A 57 10.476 3.210 14.229 1.00 0.00 C ATOM 898 C ASN A 57 9.702 3.132 12.890 1.00 0.00 C ATOM 899 O ASN A 57 8.791 3.930 12.651 1.00 0.00 O ATOM 900 CB ASN A 57 9.696 2.438 15.307 1.00 0.00 C ATOM 901 CG ASN A 57 10.215 2.599 16.726 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.276 2.110 17.090 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.463 3.249 17.583 1.00 0.00 N ATOM 0 H ASN A 57 9.913 5.219 14.557 1.00 0.00 H new ATOM 0 HA ASN A 57 11.455 2.744 14.113 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.655 2.761 15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.708 1.378 15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.763 3.347 18.553 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.579 3.656 17.279 1.00 0.00 H new ATOM 910 N PRO A 58 9.987 2.119 12.049 1.00 0.00 N ATOM 911 CA PRO A 58 9.292 1.864 10.779 1.00 0.00 C ATOM 912 C PRO A 58 7.826 1.476 11.007 1.00 0.00 C ATOM 913 O PRO A 58 6.933 1.903 10.266 1.00 0.00 O ATOM 914 CB PRO A 58 10.104 0.760 10.097 1.00 0.00 C ATOM 915 CG PRO A 58 10.730 0.004 11.270 1.00 0.00 C ATOM 916 CD PRO A 58 10.963 1.077 12.318 1.00 0.00 C ATOM 0 HA PRO A 58 9.240 2.752 10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.471 0.111 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.864 1.172 9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.067 -0.778 11.640 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.663 -0.480 10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.837 0.674 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.978 1.468 12.256 1.00 0.00 H new ATOM 924 N ALA A 59 7.598 0.739 12.100 1.00 0.00 N ATOM 925 CA ALA A 59 6.262 0.497 12.620 1.00 0.00 C ATOM 926 C ALA A 59 5.391 1.749 12.595 1.00 0.00 C ATOM 927 O ALA A 59 4.353 1.810 11.943 1.00 0.00 O ATOM 928 CB ALA A 59 6.439 0.065 14.089 1.00 0.00 C ATOM 0 H ALA A 59 8.339 0.297 12.644 1.00 0.00 H new ATOM 0 HA ALA A 59 5.770 -0.255 12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.462 -0.131 14.531 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.044 -0.840 14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.936 0.860 14.645 1.00 0.00 H new ATOM 934 N ASP A 60 5.839 2.719 13.381 1.00 0.00 N ATOM 935 CA ASP A 60 5.115 3.947 13.580 1.00 0.00 C ATOM 936 C ASP A 60 4.918 4.782 12.309 1.00 0.00 C ATOM 937 O ASP A 60 3.878 5.414 12.127 1.00 0.00 O ATOM 938 CB ASP A 60 5.798 4.704 14.694 1.00 0.00 C ATOM 939 CG ASP A 60 5.861 3.960 16.038 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.854 3.334 16.446 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.923 4.029 16.697 1.00 0.00 O ATOM 0 H ASP A 60 6.718 2.667 13.896 1.00 0.00 H new ATOM 0 HA ASP A 60 4.090 3.708 13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.814 4.945 14.381 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.278 5.650 14.843 1.00 0.00 H new ATOM 946 N ALA A 61 5.921 4.755 11.427 1.00 0.00 N ATOM 947 CA ALA A 61 5.797 5.345 10.094 1.00 0.00 C ATOM 948 C ALA A 61 4.595 4.781 9.335 1.00 0.00 C ATOM 949 O ALA A 61 3.722 5.506 8.859 1.00 0.00 O ATOM 950 CB ALA A 61 7.105 5.063 9.341 1.00 0.00 C ATOM 0 H ALA A 61 6.829 4.330 11.614 1.00 0.00 H new ATOM 0 HA ALA A 61 5.628 6.418 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.048 5.490 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.939 5.512 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.258 3.986 9.268 1.00 0.00 H new ATOM 956 N LYS A 62 4.590 3.455 9.207 1.00 0.00 N ATOM 957 CA LYS A 62 3.490 2.697 8.565 1.00 0.00 C ATOM 958 C LYS A 62 2.141 2.987 9.213 1.00 0.00 C ATOM 959 O LYS A 62 1.130 3.169 8.551 1.00 0.00 O ATOM 960 CB LYS A 62 3.794 1.194 8.514 1.00 0.00 C ATOM 961 CG LYS A 62 2.731 0.437 7.697 1.00 0.00 C ATOM 962 CD LYS A 62 3.085 -1.049 7.591 1.00 0.00 C ATOM 963 CE LYS A 62 2.019 -1.791 6.774 1.00 0.00 C ATOM 964 NZ LYS A 62 2.376 -3.223 6.595 1.00 0.00 N ATOM 0 H LYS A 62 5.349 2.863 9.544 1.00 0.00 H new ATOM 0 HA LYS A 62 3.421 3.044 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.778 1.034 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.831 0.793 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.755 0.550 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.656 0.870 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.061 -1.165 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.158 -1.485 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.054 -1.714 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.910 -1.317 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.637 -3.698 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.285 -3.294 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.456 -3.680 7.526 1.00 0.00 H new ATOM 978 N ASN A 63 2.153 2.989 10.533 1.00 0.00 N ATOM 979 CA ASN A 63 0.980 3.307 11.327 1.00 0.00 C ATOM 980 C ASN A 63 0.379 4.668 10.975 1.00 0.00 C ATOM 981 O ASN A 63 -0.777 4.739 10.570 1.00 0.00 O ATOM 982 CB ASN A 63 1.449 3.227 12.777 1.00 0.00 C ATOM 983 CG ASN A 63 0.389 2.798 13.766 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.779 2.631 13.452 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.803 2.498 14.974 1.00 0.00 N ATOM 0 H ASN A 63 2.980 2.769 11.087 1.00 0.00 H new ATOM 0 HA ASN A 63 0.166 2.609 11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.284 2.529 12.836 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.829 4.204 13.075 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.147 2.122 15.659 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.780 2.641 15.228 1.00 0.00 H new ATOM 992 N ALA A 64 1.186 5.730 11.079 1.00 0.00 N ATOM 993 CA ALA A 64 0.789 7.057 10.631 1.00 0.00 C ATOM 994 C ALA A 64 0.345 7.082 9.158 1.00 0.00 C ATOM 995 O ALA A 64 -0.631 7.752 8.827 1.00 0.00 O ATOM 996 CB ALA A 64 1.937 8.009 10.959 1.00 0.00 C ATOM 0 H ALA A 64 2.125 5.688 11.474 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.105 7.387 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.677 9.017 10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.116 8.006 12.034 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.839 7.684 10.440 1.00 0.00 H new ATOM 1002 N ALA A 65 1.006 6.319 8.276 1.00 0.00 N ATOM 1003 CA ALA A 65 0.518 6.104 6.916 1.00 0.00 C ATOM 1004 C ALA A 65 -0.911 5.553 6.868 1.00 0.00 C ATOM 1005 O ALA A 65 -1.793 6.208 6.331 1.00 0.00 O ATOM 1006 CB ALA A 65 1.504 5.244 6.108 1.00 0.00 C ATOM 0 H ALA A 65 1.882 5.841 8.486 1.00 0.00 H new ATOM 0 HA ALA A 65 0.464 7.084 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.118 5.098 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.469 5.747 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.625 4.276 6.594 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.123 4.363 7.430 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.376 3.590 7.470 1.00 0.00 C ATOM 1014 C LYS A 66 -3.518 4.395 8.072 1.00 0.00 C ATOM 1015 O LYS A 66 -4.652 4.336 7.603 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.122 2.262 8.208 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.348 1.333 8.240 1.00 0.00 C ATOM 1018 CD LYS A 66 -3.022 0.014 8.955 1.00 0.00 C ATOM 1019 CE LYS A 66 -4.283 -0.854 9.059 1.00 0.00 C ATOM 1020 NZ LYS A 66 -4.013 -2.142 9.749 1.00 0.00 N ATOM 0 H LYS A 66 -0.368 3.872 7.908 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.694 3.360 6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.294 1.741 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.813 2.477 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.173 1.832 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.679 1.127 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.246 -0.522 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.628 0.218 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.056 -0.308 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.671 -1.052 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.890 -2.699 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.293 -2.675 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.667 -1.954 10.712 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.188 5.146 9.116 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.080 6.167 9.658 1.00 0.00 C ATOM 1036 C ASP A 67 -4.529 7.192 8.600 1.00 0.00 C ATOM 1037 O ASP A 67 -5.713 7.392 8.328 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.295 6.888 10.761 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.243 7.519 11.790 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -4.608 6.834 12.773 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -4.673 8.675 11.588 1.00 0.00 O ATOM 0 H ASP A 67 -2.299 5.066 9.610 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.988 5.690 10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.630 6.183 11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.666 7.661 10.319 1.00 0.00 H new ATOM 1046 N MET A 68 -3.504 7.865 8.084 1.00 0.00 N ATOM 1047 CA MET A 68 -3.678 9.043 7.200 1.00 0.00 C ATOM 1048 C MET A 68 -4.225 8.758 5.800 1.00 0.00 C ATOM 1049 O MET A 68 -5.413 8.950 5.562 1.00 0.00 O ATOM 1050 CB MET A 68 -2.400 9.859 7.154 1.00 0.00 C ATOM 1051 CG MET A 68 -2.146 10.640 8.446 1.00 0.00 C ATOM 1052 SD MET A 68 -3.274 12.053 8.672 1.00 0.00 S ATOM 1053 CE MET A 68 -4.505 11.350 9.804 1.00 0.00 C ATOM 0 H MET A 68 -2.529 7.621 8.258 1.00 0.00 H new ATOM 0 HA MET A 68 -4.474 9.628 7.662 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.557 9.194 6.965 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.450 10.556 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.247 9.965 9.296 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.118 11.002 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.015 12.155 10.333 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.233 10.771 9.236 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.008 10.701 10.524 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.311 8.351 4.899 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.661 7.741 3.599 1.00 0.00 C ATOM 1065 C ASN A 69 -4.650 8.396 2.602 1.00 0.00 C ATOM 1066 O ASN A 69 -4.867 7.850 1.519 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.944 6.253 3.863 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.382 5.921 4.220 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.759 6.162 5.450 1.00 0.00 O flip ATOM 1070 ND2 ASN A 69 -6.168 5.445 3.413 1.00 0.00 N flip ATOM 0 H ASN A 69 -2.306 8.436 5.051 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.782 7.940 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.666 5.684 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.298 5.915 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.867 5.260 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.125 5.233 3.697 1.00 0.00 H new ATOM 1077 N GLY A 70 -5.215 9.557 2.921 1.00 0.00 N ATOM 1078 CA GLY A 70 -6.225 10.256 2.116 1.00 0.00 C ATOM 1079 C GLY A 70 -7.213 11.078 2.929 1.00 0.00 C ATOM 1080 O GLY A 70 -8.415 11.080 2.645 1.00 0.00 O ATOM 0 H GLY A 70 -4.977 10.059 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.718 10.913 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.777 9.522 1.529 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.678 11.783 3.932 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.455 12.773 4.671 1.00 0.00 C ATOM 1086 C LYS A 71 -7.231 14.136 3.999 1.00 0.00 C ATOM 1087 O LYS A 71 -6.613 14.219 2.933 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.952 12.657 6.116 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.802 13.405 7.160 1.00 0.00 C ATOM 1090 CD LYS A 71 -7.407 13.021 8.592 1.00 0.00 C ATOM 1091 CE LYS A 71 -8.314 13.674 9.649 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.698 13.122 9.636 1.00 0.00 N ATOM 0 H LYS A 71 -5.713 11.684 4.247 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.536 12.630 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.913 11.602 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.931 13.036 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.682 14.480 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.856 13.180 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.452 11.937 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.374 13.317 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.878 13.528 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.354 14.749 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.253 13.559 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.146 13.329 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.663 12.093 9.779 1.00 0.00 H new ATOM 1106 N SER A 72 -7.711 15.218 4.598 1.00 0.00 N ATOM 1107 CA SER A 72 -7.548 16.549 4.026 1.00 0.00 C ATOM 1108 C SER A 72 -7.628 17.598 5.113 1.00 0.00 C ATOM 1109 O SER A 72 -8.589 17.664 5.883 1.00 0.00 O ATOM 1110 CB SER A 72 -8.597 16.780 2.940 1.00 0.00 C ATOM 1111 OG SER A 72 -8.361 18.025 2.301 1.00 0.00 O ATOM 0 H SER A 72 -8.218 15.200 5.483 1.00 0.00 H new ATOM 0 HA SER A 72 -6.564 16.628 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.560 15.973 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.595 16.769 3.377 1.00 0.00 H new ATOM 0 HG SER A 72 -9.035 18.168 1.604 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.544 18.366 5.195 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.278 19.275 6.311 1.00 0.00 C ATOM 1119 C LEU A 73 -5.555 20.579 5.923 1.00 0.00 C ATOM 1120 O LEU A 73 -5.186 21.367 6.795 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.645 18.450 7.456 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.203 17.897 7.387 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.688 17.285 6.082 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.187 18.955 7.834 1.00 0.00 C ATOM 0 H LEU A 73 -5.816 18.376 4.481 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.216 19.690 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.698 19.069 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.299 17.594 7.621 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.290 17.047 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.660 16.951 6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.313 16.435 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.725 18.033 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.181 18.540 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.259 19.826 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.399 19.252 8.861 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.418 20.841 4.615 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.925 22.112 4.067 1.00 0.00 C ATOM 1138 C HIS A 74 -5.657 22.570 2.781 1.00 0.00 C ATOM 1139 O HIS A 74 -5.079 23.251 1.933 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.402 22.067 3.915 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.887 21.139 2.853 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.666 21.456 1.536 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.399 19.884 3.057 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -2.022 20.428 0.960 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.836 19.438 1.853 1.00 0.00 N ATOM 0 H HIS A 74 -5.652 20.160 3.893 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.167 22.890 4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.046 23.074 3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.967 21.775 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.439 19.330 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.700 20.400 -0.070 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.377 18.542 1.687 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.929 22.180 2.611 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.743 22.658 1.480 1.00 0.00 C ATOM 1155 C GLY A 75 -7.498 21.950 0.138 1.00 0.00 C ATOM 1156 O GLY A 75 -7.778 22.536 -0.911 1.00 0.00 O ATOM 0 H GLY A 75 -7.415 21.539 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.795 22.548 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.557 23.724 1.347 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.989 20.707 0.159 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.785 19.915 -1.076 1.00 0.00 C ATOM 1162 C LYS A 76 -6.877 18.419 -0.776 1.00 0.00 C ATOM 1163 O LYS A 76 -7.792 17.785 -1.300 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.405 20.217 -1.716 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.307 21.364 -2.734 1.00 0.00 C ATOM 1166 CD LYS A 76 -5.937 21.109 -4.118 1.00 0.00 C ATOM 1167 CE LYS A 76 -7.471 21.095 -4.204 1.00 0.00 C ATOM 1168 NZ LYS A 76 -8.080 22.368 -3.736 1.00 0.00 N ATOM 0 H LYS A 76 -6.710 20.225 1.014 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.570 20.198 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.704 20.429 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.060 19.307 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.779 22.246 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.254 21.604 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.568 21.873 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.570 20.150 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.772 20.910 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.858 20.270 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.093 22.375 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.962 22.451 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.612 23.170 -4.204 1.00 0.00 H new ATOM 1182 N ALA A 77 -5.928 17.969 0.065 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.834 16.569 0.541 1.00 0.00 C ATOM 1184 C ALA A 77 -4.364 16.124 0.627 1.00 0.00 C ATOM 1185 O ALA A 77 -3.469 16.726 0.027 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.690 15.514 -0.183 1.00 0.00 C ATOM 0 H ALA A 77 -5.195 18.571 0.440 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.287 16.609 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.522 14.536 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.744 15.778 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.411 15.480 -1.236 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.166 15.034 1.370 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.839 14.436 1.569 1.00 0.00 C ATOM 1194 C ILE A 78 -2.810 13.000 1.073 1.00 0.00 C ATOM 1195 O ILE A 78 -3.726 12.209 1.297 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.343 14.503 3.019 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.326 13.787 3.950 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -2.104 15.973 3.391 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.776 13.634 5.353 1.00 0.00 C ATOM 0 H ILE A 78 -4.917 14.540 1.851 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.152 15.041 0.977 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.394 13.979 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.261 14.345 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.558 12.803 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.751 16.035 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.355 16.400 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.036 16.529 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.508 13.121 5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.855 13.052 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.569 14.619 5.772 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.739 12.687 0.367 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.405 11.296 0.037 1.00 0.00 C ATOM 1213 C LYS A 79 -0.211 10.902 0.892 1.00 0.00 C ATOM 1214 O LYS A 79 0.729 11.688 1.009 1.00 0.00 O ATOM 1215 CB LYS A 79 -1.157 11.208 -1.476 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.251 10.096 -2.034 1.00 0.00 C ATOM 1217 CD LYS A 79 1.237 10.447 -1.997 1.00 0.00 C ATOM 1218 CE LYS A 79 1.997 9.510 -2.931 1.00 0.00 C ATOM 1219 NZ LYS A 79 1.925 9.951 -4.351 1.00 0.00 N ATOM 0 H LYS A 79 -1.077 13.374 0.006 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.207 10.592 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.128 11.111 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.736 12.162 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.415 9.183 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.541 9.884 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.386 11.483 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.619 10.355 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.041 9.459 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.589 8.503 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.455 9.285 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.931 9.975 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.338 10.901 -4.441 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.254 9.714 1.491 1.00 0.00 N ATOM 1234 CA VAL A 80 0.811 9.216 2.384 1.00 0.00 C ATOM 1235 C VAL A 80 1.410 7.909 1.877 1.00 0.00 C ATOM 1236 O VAL A 80 0.705 6.924 1.663 1.00 0.00 O ATOM 1237 CB VAL A 80 0.337 9.079 3.842 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.522 8.697 4.742 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.308 10.387 4.319 1.00 0.00 C ATOM 0 H VAL A 80 -1.029 9.060 1.376 1.00 0.00 H new ATOM 0 HA VAL A 80 1.598 9.970 2.372 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.413 8.290 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.180 8.602 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.940 7.747 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.287 9.471 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.638 10.274 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.420 11.196 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.165 10.621 3.688 1.00 0.00 H new ATOM 1249 N GLU A 81 2.723 7.933 1.661 1.00 0.00 N ATOM 1250 CA GLU A 81 3.513 6.868 1.035 1.00 0.00 C ATOM 1251 C GLU A 81 4.816 6.607 1.812 1.00 0.00 C ATOM 1252 O GLU A 81 5.449 7.560 2.268 1.00 0.00 O ATOM 1253 CB GLU A 81 3.746 7.229 -0.442 1.00 0.00 C ATOM 1254 CG GLU A 81 4.501 6.171 -1.256 1.00 0.00 C ATOM 1255 CD GLU A 81 3.778 4.809 -1.284 1.00 0.00 C ATOM 1256 OE1 GLU A 81 3.888 4.043 -0.297 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.097 4.501 -2.292 1.00 0.00 O ATOM 0 H GLU A 81 3.296 8.733 1.930 1.00 0.00 H new ATOM 0 HA GLU A 81 2.966 5.926 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.780 7.407 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.301 8.166 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.630 6.529 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.498 6.039 -0.836 1.00 0.00 H new ATOM 1264 N GLN A 82 5.243 5.350 1.990 1.00 0.00 N ATOM 1265 CA GLN A 82 6.553 5.095 2.611 1.00 0.00 C ATOM 1266 C GLN A 82 7.610 5.332 1.519 1.00 0.00 C ATOM 1267 O GLN A 82 7.573 4.741 0.435 1.00 0.00 O ATOM 1268 CB GLN A 82 6.660 3.677 3.195 1.00 0.00 C ATOM 1269 CG GLN A 82 7.995 3.558 3.960 1.00 0.00 C ATOM 1270 CD GLN A 82 8.169 2.269 4.752 1.00 0.00 C ATOM 1271 OE1 GLN A 82 9.156 1.554 4.627 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.249 1.949 5.634 1.00 0.00 N ATOM 0 H GLN A 82 4.721 4.516 1.723 1.00 0.00 H new ATOM 0 HA GLN A 82 6.703 5.765 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.822 3.479 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.614 2.935 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.814 3.642 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.081 4.402 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.423 2.537 5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.361 1.112 6.207 1.00 0.00 H new ATOM 1281 N ALA A 83 8.496 6.287 1.796 1.00 0.00 N ATOM 1282 CA ALA A 83 9.426 6.873 0.839 1.00 0.00 C ATOM 1283 C ALA A 83 10.419 5.884 0.202 1.00 0.00 C ATOM 1284 O ALA A 83 10.712 4.812 0.736 1.00 0.00 O ATOM 1285 CB ALA A 83 10.187 8.000 1.555 1.00 0.00 C ATOM 0 H ALA A 83 8.587 6.687 2.730 1.00 0.00 H new ATOM 0 HA ALA A 83 8.833 7.241 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.893 8.459 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.479 8.752 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.729 7.589 2.407 1.00 0.00 H new ATOM 1291 N LYS A 84 10.991 6.336 -0.917 1.00 0.00 N ATOM 1292 CA LYS A 84 12.160 5.689 -1.531 1.00 0.00 C ATOM 1293 C LYS A 84 13.182 6.766 -1.852 1.00 0.00 C ATOM 1294 O LYS A 84 12.812 7.892 -2.169 1.00 0.00 O ATOM 1295 CB LYS A 84 11.764 4.938 -2.811 1.00 0.00 C ATOM 1296 CG LYS A 84 11.294 3.506 -2.535 1.00 0.00 C ATOM 1297 CD LYS A 84 12.455 2.597 -2.098 1.00 0.00 C ATOM 1298 CE LYS A 84 11.876 1.231 -1.704 1.00 0.00 C ATOM 1299 NZ LYS A 84 12.908 0.309 -1.174 1.00 0.00 N ATOM 0 H LYS A 84 10.661 7.157 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 84 12.580 4.960 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.969 5.486 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.616 4.912 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.530 3.518 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.830 3.097 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.175 2.485 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.988 3.040 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.099 1.372 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.400 0.777 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.467 -0.599 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.637 0.151 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.346 0.727 -0.328 1.00 0.00 H new ATOM 1313 N LYS A 85 14.463 6.435 -1.708 1.00 0.00 N ATOM 1314 CA LYS A 85 15.539 7.440 -1.746 1.00 0.00 C ATOM 1315 C LYS A 85 15.604 8.200 -3.090 1.00 0.00 C ATOM 1316 O LYS A 85 15.349 7.589 -4.132 1.00 0.00 O ATOM 1317 CB LYS A 85 16.872 6.783 -1.351 1.00 0.00 C ATOM 1318 CG LYS A 85 16.934 6.598 0.175 1.00 0.00 C ATOM 1319 CD LYS A 85 18.203 5.880 0.647 1.00 0.00 C ATOM 1320 CE LYS A 85 18.195 4.397 0.257 1.00 0.00 C ATOM 1321 NZ LYS A 85 19.387 3.700 0.796 1.00 0.00 N ATOM 0 H LYS A 85 14.788 5.479 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 85 15.316 8.213 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.973 5.818 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.705 7.401 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.878 7.575 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.062 6.032 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.078 6.365 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.291 5.971 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.290 3.923 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.174 4.303 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.358 2.698 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.249 4.140 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.392 3.772 1.834 1.00 0.00 H new ATOM 1335 N PRO A 86 15.984 9.498 -3.104 1.00 0.00 N ATOM 1336 CA PRO A 86 15.866 10.349 -4.298 1.00 0.00 C ATOM 1337 C PRO A 86 16.861 9.939 -5.403 1.00 0.00 C ATOM 1338 O PRO A 86 16.538 9.966 -6.592 1.00 0.00 O ATOM 1339 CB PRO A 86 16.154 11.759 -3.801 1.00 0.00 C ATOM 1340 CG PRO A 86 17.050 11.575 -2.576 1.00 0.00 C ATOM 1341 CD PRO A 86 16.559 10.249 -1.990 1.00 0.00 C ATOM 0 HA PRO A 86 14.879 10.261 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.652 12.353 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.233 12.281 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.104 11.530 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.939 12.396 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.381 9.698 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.816 10.419 -1.211 1.00 0.00 H new