USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 962 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 18 SER OG : rot -163:sc= -1.86 USER MOD Set 1.2: A 126 MET CE :methyl -145:sc= -0.815 (180deg=0) USER MOD Set 2.1: A 125 GLN :FLIP amide:sc= -0.289 X(o=-3.7,f=-3.7) USER MOD Set 2.2: A 127 GLN :FLIP amide:sc= -3.42 F(o=-4.9!,f=-3.7) USER MOD Set 3.1: A 96 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 98 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.1!) USER MOD Set 4.1: A 75 HIS :FLIP no HD1:sc= -0.906 F(o=-2.5,f=-1.9) USER MOD Set 4.2: A 77 ASN : amide:sc= -1.03 K(o=-1.9,f=-5.2!) USER MOD Set 5.1: A 54 TYR OH : rot 130:sc= 0.716 USER MOD Set 5.2: A 62 LYS NZ :NH3+ 169:sc= 0.808 (180deg=0.00701) USER MOD Single : A 16 GLN : amide:sc= -10.5! C(o=-11!,f=-13!) USER MOD Single : A 21 TYR OH : rot -160:sc= -0.645 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 24 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.2) USER MOD Single : A 26 SER OG : rot 20:sc= 0.953 USER MOD Single : A 27 THR OG1 : rot 58:sc= 1.09 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0254 (180deg=-0.239) USER MOD Single : A 36 GLN : amide:sc= -0.0791 K(o=-0.079,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot 130:sc= -0.787 USER MOD Single : A 47 SER OG : rot 17:sc= 0.247 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.26) USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.633 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0147) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00815 K(o=-0.0082,f=-1.5) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 115 SER OG : rot 29:sc= 1.09 USER MOD Single : A 119 ASN :FLIP amide:sc= -2.15 F(o=-3!,f=-2.2) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 34:sc= -0.753 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.173 9.502 1.725 1.00 0.00 N ATOM 131 CA LEU A 12 15.754 9.481 1.387 1.00 0.00 C ATOM 132 C LEU A 12 14.915 9.046 2.585 1.00 0.00 C ATOM 133 O LEU A 12 13.759 9.441 2.723 1.00 0.00 O ATOM 134 CB LEU A 12 15.504 8.540 0.207 1.00 0.00 C ATOM 135 CG LEU A 12 16.381 8.763 -1.026 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.264 7.587 -1.983 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.000 10.061 -1.723 1.00 0.00 C ATOM 0 HA LEU A 12 15.458 10.492 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.646 7.515 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.460 8.634 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 12 17.419 8.839 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.895 7.763 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.586 6.675 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.227 7.479 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.634 10.204 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.957 10.014 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.136 10.896 -1.036 1.00 0.00 H new ATOM 149 N GLY A 13 15.509 8.230 3.451 1.00 0.00 N ATOM 150 CA GLY A 13 14.803 7.757 4.628 1.00 0.00 C ATOM 151 C GLY A 13 14.369 6.310 4.500 1.00 0.00 C ATOM 152 O GLY A 13 14.837 5.590 3.618 1.00 0.00 O ATOM 0 H GLY A 13 16.466 7.888 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.446 7.865 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.927 8.382 4.798 1.00 0.00 H new ATOM 156 N ARG A 14 13.473 5.883 5.384 1.00 0.00 N ATOM 157 CA ARG A 14 12.978 4.512 5.368 1.00 0.00 C ATOM 158 C ARG A 14 11.475 4.473 5.632 1.00 0.00 C ATOM 159 O ARG A 14 10.885 5.463 6.064 1.00 0.00 O ATOM 160 CB ARG A 14 13.712 3.670 6.413 1.00 0.00 C ATOM 161 CG ARG A 14 13.277 3.957 7.841 1.00 0.00 C ATOM 162 CD ARG A 14 14.247 3.361 8.849 1.00 0.00 C ATOM 163 NE ARG A 14 15.485 4.130 8.938 1.00 0.00 N ATOM 164 CZ ARG A 14 16.322 4.059 9.968 1.00 0.00 C ATOM 165 NH1 ARG A 14 16.054 3.259 10.990 1.00 0.00 N ATOM 166 NH2 ARG A 14 17.429 4.790 9.976 1.00 0.00 N ATOM 0 H ARG A 14 13.075 6.467 6.120 1.00 0.00 H new ATOM 0 HA ARG A 14 13.167 4.096 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.548 2.614 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.783 3.850 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.209 5.034 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.280 3.549 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.773 3.323 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.478 2.334 8.566 1.00 0.00 H new ATOM 0 HE ARG A 14 15.720 4.756 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.204 2.696 10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.698 3.206 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.638 5.407 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.071 4.735 10.767 1.00 0.00 H new ATOM 180 N ILE A 15 10.863 3.324 5.368 1.00 0.00 N ATOM 181 CA ILE A 15 9.430 3.156 5.577 1.00 0.00 C ATOM 182 C ILE A 15 9.126 1.828 6.261 1.00 0.00 C ATOM 183 O ILE A 15 9.643 0.783 5.866 1.00 0.00 O ATOM 184 CB ILE A 15 8.655 3.226 4.248 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.154 3.072 4.499 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.150 2.153 3.289 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.301 3.434 3.304 1.00 0.00 C ATOM 0 H ILE A 15 11.337 2.495 5.009 1.00 0.00 H new ATOM 0 HA ILE A 15 9.107 3.975 6.220 1.00 0.00 H new ATOM 0 HB ILE A 15 8.830 4.201 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.946 2.041 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.869 3.701 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.593 2.215 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.211 2.304 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.001 1.170 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.249 3.301 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.480 4.474 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.558 2.789 2.464 1.00 0.00 H new ATOM 199 N GLN A 16 8.283 1.876 7.287 1.00 0.00 N ATOM 200 CA GLN A 16 7.909 0.675 8.025 1.00 0.00 C ATOM 201 C GLN A 16 6.458 0.296 7.747 1.00 0.00 C ATOM 202 O GLN A 16 5.538 1.056 8.051 1.00 0.00 O ATOM 203 CB GLN A 16 8.115 0.888 9.525 1.00 0.00 C ATOM 204 CG GLN A 16 7.763 -0.328 10.366 1.00 0.00 C ATOM 205 CD GLN A 16 7.426 0.031 11.800 1.00 0.00 C ATOM 206 OE1 GLN A 16 6.966 1.138 12.083 1.00 0.00 O ATOM 207 NE2 GLN A 16 7.653 -0.904 12.714 1.00 0.00 N ATOM 0 H GLN A 16 7.846 2.733 7.626 1.00 0.00 H new ATOM 0 HA GLN A 16 8.549 -0.141 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.156 1.156 9.706 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.508 1.733 9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.915 -0.843 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.601 -1.026 10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.035 -1.808 12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.445 -0.719 13.695 1.00 0.00 H new ATOM 216 N PHE A 17 6.260 -0.884 7.169 1.00 0.00 N ATOM 217 CA PHE A 17 4.920 -1.364 6.850 1.00 0.00 C ATOM 218 C PHE A 17 4.782 -2.848 7.178 1.00 0.00 C ATOM 219 O PHE A 17 5.733 -3.617 7.040 1.00 0.00 O ATOM 220 CB PHE A 17 4.610 -1.126 5.371 1.00 0.00 C ATOM 221 CG PHE A 17 5.531 -1.860 4.439 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.729 -1.292 4.037 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.198 -3.119 3.964 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.579 -1.965 3.180 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.045 -3.797 3.107 1.00 0.00 C ATOM 226 CZ PHE A 17 7.236 -3.218 2.714 1.00 0.00 C ATOM 0 H PHE A 17 7.010 -1.526 6.912 1.00 0.00 H new ATOM 0 HA PHE A 17 4.207 -0.808 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.583 -1.432 5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.671 -0.058 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.002 -0.311 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.267 -3.575 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.510 -1.511 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.776 -4.778 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.898 -3.745 2.043 1.00 0.00 H new ATOM 236 N SER A 18 3.590 -3.243 7.613 1.00 0.00 N ATOM 237 CA SER A 18 3.326 -4.633 7.965 1.00 0.00 C ATOM 238 C SER A 18 2.655 -5.369 6.809 1.00 0.00 C ATOM 239 O SER A 18 1.808 -4.811 6.111 1.00 0.00 O ATOM 240 CB SER A 18 2.444 -4.707 9.212 1.00 0.00 C ATOM 241 OG SER A 18 1.071 -4.748 8.864 1.00 0.00 O ATOM 0 H SER A 18 2.791 -2.620 7.730 1.00 0.00 H new ATOM 0 HA SER A 18 4.280 -5.116 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.702 -5.593 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.635 -3.843 9.848 1.00 0.00 H new ATOM 0 HG SER A 18 0.528 -4.525 9.649 1.00 0.00 H new ATOM 247 N VAL A 19 3.040 -6.626 6.612 1.00 0.00 N ATOM 248 CA VAL A 19 2.475 -7.440 5.542 1.00 0.00 C ATOM 249 C VAL A 19 1.865 -8.724 6.092 1.00 0.00 C ATOM 250 O VAL A 19 2.496 -9.441 6.868 1.00 0.00 O ATOM 251 CB VAL A 19 3.541 -7.800 4.490 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.986 -8.802 3.489 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.036 -6.547 3.783 1.00 0.00 C ATOM 0 H VAL A 19 3.741 -7.103 7.179 1.00 0.00 H new ATOM 0 HA VAL A 19 1.694 -6.845 5.069 1.00 0.00 H new ATOM 0 HB VAL A 19 4.387 -8.261 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.753 -9.044 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.685 -9.710 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.122 -8.371 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.789 -6.820 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.200 -6.055 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.475 -5.867 4.513 1.00 0.00 H new ATOM 263 N GLY A 20 0.633 -9.010 5.684 1.00 0.00 N ATOM 264 CA GLY A 20 -0.043 -10.209 6.145 1.00 0.00 C ATOM 265 C GLY A 20 -1.310 -10.497 5.365 1.00 0.00 C ATOM 266 O GLY A 20 -2.217 -9.666 5.312 1.00 0.00 O ATOM 0 H GLY A 20 0.090 -8.433 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.634 -11.059 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.287 -10.101 7.202 1.00 0.00 H new ATOM 270 N TYR A 21 -1.373 -11.676 4.756 1.00 0.00 N ATOM 271 CA TYR A 21 -2.537 -12.069 3.972 1.00 0.00 C ATOM 272 C TYR A 21 -3.330 -13.162 4.683 1.00 0.00 C ATOM 273 O TYR A 21 -2.773 -14.178 5.097 1.00 0.00 O ATOM 274 CB TYR A 21 -2.104 -12.557 2.588 1.00 0.00 C ATOM 275 CG TYR A 21 -3.248 -13.064 1.739 1.00 0.00 C ATOM 276 CD1 TYR A 21 -3.752 -14.347 1.912 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.826 -12.259 0.765 1.00 0.00 C ATOM 278 CE1 TYR A 21 -4.796 -14.815 1.138 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.872 -12.717 -0.012 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.353 -13.996 0.178 1.00 0.00 C ATOM 281 OH TYR A 21 -6.395 -14.457 -0.594 1.00 0.00 O ATOM 0 H TYR A 21 -0.632 -12.376 4.790 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.179 -11.195 3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.607 -11.741 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.370 -13.354 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.320 -14.990 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.451 -11.258 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.174 -15.816 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.311 -12.078 -0.764 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.469 -13.910 -1.404 1.00 0.00 H new ATOM 291 N ASN A 22 -4.633 -12.944 4.820 1.00 0.00 N ATOM 292 CA ASN A 22 -5.504 -13.909 5.481 1.00 0.00 C ATOM 293 C ASN A 22 -5.937 -15.005 4.511 1.00 0.00 C ATOM 294 O ASN A 22 -6.218 -14.739 3.343 1.00 0.00 O ATOM 295 CB ASN A 22 -6.736 -13.206 6.056 1.00 0.00 C ATOM 296 CG ASN A 22 -6.471 -12.603 7.422 1.00 0.00 C ATOM 297 OD1 ASN A 22 -5.331 -12.287 7.764 1.00 0.00 O ATOM 298 ND2 ASN A 22 -7.527 -12.439 8.211 1.00 0.00 N ATOM 0 H ASN A 22 -5.110 -12.108 4.482 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.943 -14.369 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.056 -12.421 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.557 -13.919 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.411 -12.037 9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.454 -12.715 7.887 1.00 0.00 H new ATOM 305 N PHE A 23 -5.989 -16.237 5.005 1.00 0.00 N ATOM 306 CA PHE A 23 -6.388 -17.374 4.183 1.00 0.00 C ATOM 307 C PHE A 23 -7.908 -17.470 4.087 1.00 0.00 C ATOM 308 O PHE A 23 -8.475 -17.414 2.997 1.00 0.00 O ATOM 309 CB PHE A 23 -5.819 -18.672 4.760 1.00 0.00 C ATOM 310 CG PHE A 23 -4.464 -19.026 4.217 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.424 -18.112 4.264 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.230 -20.273 3.660 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.175 -18.434 3.766 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.984 -20.601 3.161 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.956 -19.681 3.213 1.00 0.00 C ATOM 0 H PHE A 23 -5.760 -16.474 5.970 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.987 -17.224 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.755 -18.581 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.511 -19.488 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.591 -17.136 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.030 -20.997 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.373 -17.712 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.814 -21.577 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.982 -19.936 2.822 1.00 0.00 H new ATOM 325 N GLN A 24 -8.559 -17.615 5.237 1.00 0.00 N ATOM 326 CA GLN A 24 -10.013 -17.720 5.282 1.00 0.00 C ATOM 327 C GLN A 24 -10.666 -16.543 4.565 1.00 0.00 C ATOM 328 O GLN A 24 -11.523 -16.729 3.702 1.00 0.00 O ATOM 329 CB GLN A 24 -10.496 -17.781 6.732 1.00 0.00 C ATOM 330 CG GLN A 24 -9.889 -18.925 7.528 1.00 0.00 C ATOM 331 CD GLN A 24 -10.523 -19.085 8.896 1.00 0.00 C ATOM 332 OE1 GLN A 24 -11.599 -18.549 9.161 1.00 0.00 O ATOM 333 NE2 GLN A 24 -9.857 -19.825 9.774 1.00 0.00 N ATOM 0 H GLN A 24 -8.104 -17.662 6.148 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.302 -18.639 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.257 -16.839 7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.582 -17.879 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.003 -19.853 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.819 -18.753 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.968 -20.251 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.234 -19.968 10.711 1.00 0.00 H new ATOM 342 N GLU A 25 -10.256 -15.332 4.929 1.00 0.00 N ATOM 343 CA GLU A 25 -10.803 -14.126 4.321 1.00 0.00 C ATOM 344 C GLU A 25 -10.213 -13.901 2.932 1.00 0.00 C ATOM 345 O GLU A 25 -10.694 -13.063 2.169 1.00 0.00 O ATOM 346 CB GLU A 25 -10.527 -12.910 5.207 1.00 0.00 C ATOM 347 CG GLU A 25 -11.444 -12.816 6.415 1.00 0.00 C ATOM 348 CD GLU A 25 -11.318 -14.012 7.339 1.00 0.00 C ATOM 349 OE1 GLU A 25 -10.236 -14.636 7.357 1.00 0.00 O ATOM 350 OE2 GLU A 25 -12.300 -14.323 8.044 1.00 0.00 O ATOM 0 H GLU A 25 -9.547 -15.161 5.642 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.881 -14.257 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.493 -12.947 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.633 -12.004 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.214 -11.907 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.477 -12.730 6.077 1.00 0.00 H new ATOM 357 N SER A 26 -9.166 -14.655 2.611 1.00 0.00 N ATOM 358 CA SER A 26 -8.506 -14.535 1.316 1.00 0.00 C ATOM 359 C SER A 26 -8.305 -13.070 0.942 1.00 0.00 C ATOM 360 O SER A 26 -8.587 -12.659 -0.184 1.00 0.00 O ATOM 361 CB SER A 26 -9.326 -15.241 0.235 1.00 0.00 C ATOM 362 OG SER A 26 -9.254 -16.649 0.378 1.00 0.00 O ATOM 0 H SER A 26 -8.757 -15.355 3.230 1.00 0.00 H new ATOM 0 HA SER A 26 -7.528 -15.011 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.366 -14.919 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.959 -14.953 -0.750 1.00 0.00 H new ATOM 0 HG SER A 26 -8.981 -16.871 1.293 1.00 0.00 H new ATOM 368 N THR A 27 -7.813 -12.284 1.896 1.00 0.00 N ATOM 369 CA THR A 27 -7.574 -10.865 1.669 1.00 0.00 C ATOM 370 C THR A 27 -6.201 -10.449 2.183 1.00 0.00 C ATOM 371 O THR A 27 -5.672 -11.045 3.122 1.00 0.00 O ATOM 372 CB THR A 27 -8.649 -9.998 2.351 1.00 0.00 C ATOM 373 OG1 THR A 27 -9.954 -10.412 1.928 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.447 -8.527 2.022 1.00 0.00 C ATOM 0 H THR A 27 -7.573 -12.607 2.833 1.00 0.00 H new ATOM 0 HA THR A 27 -7.619 -10.706 0.592 1.00 0.00 H new ATOM 0 HB THR A 27 -8.559 -10.128 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.080 -11.361 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.218 -7.935 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.465 -8.207 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.513 -8.383 0.944 1.00 0.00 H new ATOM 382 N LEU A 28 -5.628 -9.424 1.563 1.00 0.00 N ATOM 383 CA LEU A 28 -4.314 -8.927 1.959 1.00 0.00 C ATOM 384 C LEU A 28 -4.445 -7.744 2.913 1.00 0.00 C ATOM 385 O LEU A 28 -5.325 -6.898 2.754 1.00 0.00 O ATOM 386 CB LEU A 28 -3.510 -8.516 0.725 1.00 0.00 C ATOM 387 CG LEU A 28 -2.052 -8.126 0.973 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.241 -9.339 1.404 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.449 -7.495 -0.273 1.00 0.00 C ATOM 0 H LEU A 28 -6.052 -8.920 0.784 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.789 -9.730 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.528 -9.341 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.015 -7.674 0.251 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.025 -7.391 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.206 -9.042 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.659 -9.748 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.276 -10.097 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.411 -7.224 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.489 -8.207 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.014 -6.601 -0.538 1.00 0.00 H new ATOM 401 N THR A 29 -3.560 -7.689 3.904 1.00 0.00 N ATOM 402 CA THR A 29 -3.575 -6.609 4.882 1.00 0.00 C ATOM 403 C THR A 29 -2.263 -5.834 4.866 1.00 0.00 C ATOM 404 O THR A 29 -1.220 -6.349 5.271 1.00 0.00 O ATOM 405 CB THR A 29 -3.824 -7.145 6.305 1.00 0.00 C ATOM 406 OG1 THR A 29 -4.985 -7.983 6.317 1.00 0.00 O ATOM 407 CG2 THR A 29 -4.009 -6.000 7.289 1.00 0.00 C ATOM 0 H THR A 29 -2.824 -8.380 4.050 1.00 0.00 H new ATOM 0 HA THR A 29 -4.391 -5.942 4.604 1.00 0.00 H new ATOM 0 HB THR A 29 -2.954 -7.727 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.135 -8.321 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.183 -6.402 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.112 -5.381 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.864 -5.395 6.987 1.00 0.00 H new ATOM 415 N VAL A 30 -2.320 -4.592 4.396 1.00 0.00 N ATOM 416 CA VAL A 30 -1.136 -3.744 4.329 1.00 0.00 C ATOM 417 C VAL A 30 -1.272 -2.535 5.247 1.00 0.00 C ATOM 418 O VAL A 30 -2.026 -1.605 4.960 1.00 0.00 O ATOM 419 CB VAL A 30 -0.876 -3.256 2.891 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.381 -2.402 2.836 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.769 -4.438 1.939 1.00 0.00 C ATOM 0 H VAL A 30 -3.174 -4.151 4.056 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.293 -4.352 4.657 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.719 -2.640 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.548 -2.067 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.261 -1.536 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.236 -2.991 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.585 -4.075 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.055 -5.081 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.699 -5.005 1.957 1.00 0.00 H new ATOM 431 N LYS A 31 -0.537 -2.554 6.354 1.00 0.00 N ATOM 432 CA LYS A 31 -0.574 -1.459 7.316 1.00 0.00 C ATOM 433 C LYS A 31 0.712 -0.641 7.258 1.00 0.00 C ATOM 434 O LYS A 31 1.802 -1.163 7.495 1.00 0.00 O ATOM 435 CB LYS A 31 -0.781 -2.003 8.732 1.00 0.00 C ATOM 436 CG LYS A 31 -0.252 -1.084 9.820 1.00 0.00 C ATOM 437 CD LYS A 31 -0.742 -1.508 11.194 1.00 0.00 C ATOM 438 CE LYS A 31 -2.144 -0.986 11.471 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.710 -1.557 12.724 1.00 0.00 N ATOM 0 H LYS A 31 0.092 -3.316 6.607 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.410 -0.809 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.845 -2.171 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.289 -2.972 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.838 -1.089 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.569 -0.061 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.737 -2.596 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.057 -1.137 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.119 0.101 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.796 -1.232 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.666 -1.177 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.758 -2.593 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.102 -1.301 13.528 1.00 0.00 H new ATOM 453 N ILE A 32 0.578 0.643 6.942 1.00 0.00 N ATOM 454 CA ILE A 32 1.729 1.533 6.856 1.00 0.00 C ATOM 455 C ILE A 32 1.981 2.236 8.185 1.00 0.00 C ATOM 456 O ILE A 32 1.377 3.267 8.477 1.00 0.00 O ATOM 457 CB ILE A 32 1.539 2.593 5.755 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.073 1.933 4.455 1.00 0.00 C ATOM 459 CG2 ILE A 32 2.834 3.360 5.530 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.093 0.989 3.857 1.00 0.00 C ATOM 0 H ILE A 32 -0.317 1.090 6.741 1.00 0.00 H new ATOM 0 HA ILE A 32 2.590 0.913 6.607 1.00 0.00 H new ATOM 0 HB ILE A 32 0.772 3.297 6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.150 1.385 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.838 2.709 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.684 4.106 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.128 3.857 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.619 2.668 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.695 0.558 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.009 1.537 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.311 0.191 4.567 1.00 0.00 H new ATOM 472 N MET A 33 2.879 1.671 8.986 1.00 0.00 N ATOM 473 CA MET A 33 3.214 2.247 10.283 1.00 0.00 C ATOM 474 C MET A 33 3.433 3.752 10.171 1.00 0.00 C ATOM 475 O MET A 33 2.582 4.545 10.573 1.00 0.00 O ATOM 476 CB MET A 33 4.466 1.578 10.853 1.00 0.00 C ATOM 477 CG MET A 33 4.295 0.091 11.118 1.00 0.00 C ATOM 478 SD MET A 33 3.652 -0.251 12.767 1.00 0.00 S ATOM 479 CE MET A 33 3.509 -2.036 12.710 1.00 0.00 C ATOM 0 H MET A 33 3.387 0.816 8.760 1.00 0.00 H new ATOM 0 HA MET A 33 2.377 2.070 10.958 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.293 1.722 10.158 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.742 2.075 11.783 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.620 -0.331 10.374 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.256 -0.409 10.996 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.123 -2.401 13.662 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.828 -2.321 11.908 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.490 -2.474 12.525 1.00 0.00 H new ATOM 489 N LYS A 34 4.579 4.139 9.621 1.00 0.00 N ATOM 490 CA LYS A 34 4.910 5.549 9.454 1.00 0.00 C ATOM 491 C LYS A 34 6.223 5.714 8.697 1.00 0.00 C ATOM 492 O LYS A 34 6.908 4.734 8.403 1.00 0.00 O ATOM 493 CB LYS A 34 5.006 6.237 10.818 1.00 0.00 C ATOM 494 CG LYS A 34 6.172 5.753 11.662 1.00 0.00 C ATOM 495 CD LYS A 34 5.889 4.392 12.277 1.00 0.00 C ATOM 496 CE LYS A 34 6.879 4.064 13.384 1.00 0.00 C ATOM 497 NZ LYS A 34 6.669 4.916 14.587 1.00 0.00 N ATOM 0 H LYS A 34 5.295 3.495 9.283 1.00 0.00 H new ATOM 0 HA LYS A 34 4.115 6.016 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.099 7.313 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.078 6.071 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.069 5.695 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.375 6.475 12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.875 4.376 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.938 3.625 11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.780 3.014 13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.895 4.201 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.163 4.496 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.046 5.869 14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.652 4.979 14.794 1.00 0.00 H new ATOM 511 N ALA A 35 6.570 6.958 8.385 1.00 0.00 N ATOM 512 CA ALA A 35 7.803 7.250 7.665 1.00 0.00 C ATOM 513 C ALA A 35 8.845 7.870 8.590 1.00 0.00 C ATOM 514 O ALA A 35 8.525 8.307 9.695 1.00 0.00 O ATOM 515 CB ALA A 35 7.522 8.175 6.490 1.00 0.00 C ATOM 0 H ALA A 35 6.014 7.780 8.620 1.00 0.00 H new ATOM 0 HA ALA A 35 8.204 6.310 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.452 8.385 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.818 7.696 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.094 9.108 6.856 1.00 0.00 H new ATOM 521 N GLN A 36 10.092 7.902 8.132 1.00 0.00 N ATOM 522 CA GLN A 36 11.181 8.466 8.921 1.00 0.00 C ATOM 523 C GLN A 36 12.339 8.891 8.024 1.00 0.00 C ATOM 524 O GLN A 36 12.512 8.363 6.926 1.00 0.00 O ATOM 525 CB GLN A 36 11.668 7.451 9.956 1.00 0.00 C ATOM 526 CG GLN A 36 10.646 7.151 11.041 1.00 0.00 C ATOM 527 CD GLN A 36 11.285 6.655 12.323 1.00 0.00 C ATOM 528 OE1 GLN A 36 12.510 6.589 12.436 1.00 0.00 O ATOM 529 NE2 GLN A 36 10.457 6.301 13.299 1.00 0.00 N ATOM 0 H GLN A 36 10.373 7.544 7.219 1.00 0.00 H new ATOM 0 HA GLN A 36 10.803 9.348 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.929 6.523 9.448 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.579 7.827 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.070 8.052 11.252 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.944 6.402 10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.449 6.372 13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.829 5.959 14.185 1.00 0.00 H new ATOM 538 N GLU A 37 13.130 9.848 8.500 1.00 0.00 N ATOM 539 CA GLU A 37 14.271 10.343 7.739 1.00 0.00 C ATOM 540 C GLU A 37 13.844 10.783 6.342 1.00 0.00 C ATOM 541 O GLU A 37 14.474 10.424 5.346 1.00 0.00 O ATOM 542 CB GLU A 37 15.352 9.265 7.638 1.00 0.00 C ATOM 543 CG GLU A 37 16.155 9.087 8.916 1.00 0.00 C ATOM 544 CD GLU A 37 17.416 9.928 8.934 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.414 9.515 8.305 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.407 10.999 9.577 1.00 0.00 O ATOM 0 H GLU A 37 13.002 10.295 9.408 1.00 0.00 H new ATOM 0 HA GLU A 37 14.678 11.207 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.884 8.316 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.031 9.519 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.533 9.352 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.422 8.036 9.030 1.00 0.00 H new ATOM 553 N LEU A 38 12.770 11.562 6.276 1.00 0.00 N ATOM 554 CA LEU A 38 12.257 12.052 5.001 1.00 0.00 C ATOM 555 C LEU A 38 12.845 13.419 4.666 1.00 0.00 C ATOM 556 O LEU A 38 12.696 14.386 5.413 1.00 0.00 O ATOM 557 CB LEU A 38 10.730 12.137 5.042 1.00 0.00 C ATOM 558 CG LEU A 38 9.983 10.804 5.026 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.556 10.998 4.537 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.714 9.793 4.154 1.00 0.00 C ATOM 0 H LEU A 38 12.237 11.868 7.090 1.00 0.00 H new ATOM 0 HA LEU A 38 12.555 11.349 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.441 12.682 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.396 12.728 4.189 1.00 0.00 H new ATOM 0 HG LEU A 38 9.947 10.417 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.039 10.038 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.034 11.688 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.570 11.407 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.168 8.850 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.781 10.173 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.717 9.631 4.548 1.00 0.00 H new ATOM 572 N PRO A 39 13.529 13.503 3.515 1.00 0.00 N ATOM 573 CA PRO A 39 14.151 14.747 3.054 1.00 0.00 C ATOM 574 C PRO A 39 13.121 15.789 2.631 1.00 0.00 C ATOM 575 O PRO A 39 11.969 15.458 2.350 1.00 0.00 O ATOM 576 CB PRO A 39 14.985 14.302 1.850 1.00 0.00 C ATOM 577 CG PRO A 39 14.311 13.068 1.358 1.00 0.00 C ATOM 578 CD PRO A 39 13.747 12.390 2.576 1.00 0.00 C ATOM 0 HA PRO A 39 14.734 15.226 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.011 15.073 1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.018 14.102 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.522 13.312 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.017 12.418 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.818 11.866 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.439 11.652 2.982 1.00 0.00 H new ATOM 586 N ALA A 40 13.542 17.049 2.588 1.00 0.00 N ATOM 587 CA ALA A 40 12.656 18.138 2.197 1.00 0.00 C ATOM 588 C ALA A 40 12.866 18.519 0.736 1.00 0.00 C ATOM 589 O ALA A 40 13.709 19.359 0.417 1.00 0.00 O ATOM 590 CB ALA A 40 12.876 19.345 3.097 1.00 0.00 C ATOM 0 H ALA A 40 14.492 17.341 2.819 1.00 0.00 H new ATOM 0 HA ALA A 40 11.627 17.796 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.208 20.151 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.668 19.071 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.910 19.679 3.011 1.00 0.00 H new ATOM 668 N THR A 46 10.493 21.138 5.984 1.00 0.00 N ATOM 669 CA THR A 46 9.372 20.217 6.112 1.00 0.00 C ATOM 670 C THR A 46 8.676 20.009 4.771 1.00 0.00 C ATOM 671 O THR A 46 8.756 20.856 3.882 1.00 0.00 O ATOM 672 CB THR A 46 8.342 20.724 7.138 1.00 0.00 C ATOM 673 OG1 THR A 46 7.430 19.673 7.477 1.00 0.00 O ATOM 674 CG2 THR A 46 7.570 21.914 6.589 1.00 0.00 C ATOM 0 HA THR A 46 9.781 19.268 6.458 1.00 0.00 H new ATOM 0 HB THR A 46 8.879 21.041 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.365 19.598 8.452 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.849 22.254 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.263 22.723 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.044 21.619 5.681 1.00 0.00 H new ATOM 682 N SER A 47 7.994 18.877 4.633 1.00 0.00 N ATOM 683 CA SER A 47 7.286 18.556 3.399 1.00 0.00 C ATOM 684 C SER A 47 6.051 17.708 3.686 1.00 0.00 C ATOM 685 O SER A 47 5.861 17.226 4.802 1.00 0.00 O ATOM 686 CB SER A 47 8.213 17.817 2.432 1.00 0.00 C ATOM 687 OG SER A 47 9.072 18.721 1.758 1.00 0.00 O ATOM 0 H SER A 47 7.917 18.166 5.361 1.00 0.00 H new ATOM 0 HA SER A 47 6.964 19.491 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.807 17.086 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.619 17.264 1.705 1.00 0.00 H new ATOM 0 HG SER A 47 9.080 19.579 2.231 1.00 0.00 H new ATOM 693 N ASP A 48 5.215 17.529 2.669 1.00 0.00 N ATOM 694 CA ASP A 48 3.998 16.738 2.809 1.00 0.00 C ATOM 695 C ASP A 48 4.131 15.402 2.085 1.00 0.00 C ATOM 696 O ASP A 48 3.605 15.207 0.989 1.00 0.00 O ATOM 697 CB ASP A 48 2.796 17.511 2.264 1.00 0.00 C ATOM 698 CG ASP A 48 2.918 17.798 0.780 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.631 18.757 0.418 1.00 0.00 O ATOM 700 OD2 ASP A 48 2.300 17.063 -0.019 1.00 0.00 O ATOM 0 H ASP A 48 5.358 17.921 1.738 1.00 0.00 H new ATOM 0 HA ASP A 48 3.842 16.541 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.886 16.939 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.696 18.451 2.806 1.00 0.00 H new ATOM 705 N PRO A 49 4.853 14.460 2.709 1.00 0.00 N ATOM 706 CA PRO A 49 5.073 13.126 2.141 1.00 0.00 C ATOM 707 C PRO A 49 3.802 12.284 2.130 1.00 0.00 C ATOM 708 O PRO A 49 2.813 12.626 2.778 1.00 0.00 O ATOM 709 CB PRO A 49 6.115 12.510 3.078 1.00 0.00 C ATOM 710 CG PRO A 49 5.931 13.224 4.372 1.00 0.00 C ATOM 711 CD PRO A 49 5.510 14.623 4.017 1.00 0.00 C ATOM 0 HA PRO A 49 5.391 13.173 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.959 11.437 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.125 12.646 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.175 12.733 4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.855 13.229 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.829 15.038 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.365 15.297 3.956 1.00 0.00 H new ATOM 719 N PHE A 50 3.835 11.181 1.389 1.00 0.00 N ATOM 720 CA PHE A 50 2.685 10.290 1.294 1.00 0.00 C ATOM 721 C PHE A 50 3.086 8.947 0.689 1.00 0.00 C ATOM 722 O PHE A 50 3.935 8.883 -0.200 1.00 0.00 O ATOM 723 CB PHE A 50 1.583 10.933 0.449 1.00 0.00 C ATOM 724 CG PHE A 50 1.884 10.943 -1.022 1.00 0.00 C ATOM 725 CD1 PHE A 50 1.714 9.800 -1.785 1.00 0.00 C ATOM 726 CD2 PHE A 50 2.338 12.097 -1.642 1.00 0.00 C ATOM 727 CE1 PHE A 50 1.990 9.806 -3.140 1.00 0.00 C ATOM 728 CE2 PHE A 50 2.615 12.109 -2.996 1.00 0.00 C ATOM 729 CZ PHE A 50 2.442 10.961 -3.746 1.00 0.00 C ATOM 0 H PHE A 50 4.645 10.883 0.846 1.00 0.00 H new ATOM 0 HA PHE A 50 2.307 10.117 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.649 10.398 0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.428 11.958 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.362 8.893 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.477 12.996 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.852 8.908 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.966 13.015 -3.468 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.660 10.968 -4.804 1.00 0.00 H new ATOM 739 N VAL A 51 2.469 7.877 1.179 1.00 0.00 N ATOM 740 CA VAL A 51 2.760 6.535 0.687 1.00 0.00 C ATOM 741 C VAL A 51 1.901 6.196 -0.526 1.00 0.00 C ATOM 742 O VAL A 51 0.778 6.682 -0.661 1.00 0.00 O ATOM 743 CB VAL A 51 2.528 5.475 1.780 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.142 4.144 1.372 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.096 5.947 3.110 1.00 0.00 C ATOM 0 H VAL A 51 1.765 7.913 1.916 1.00 0.00 H new ATOM 0 HA VAL A 51 3.811 6.524 0.398 1.00 0.00 H new ATOM 0 HB VAL A 51 1.454 5.332 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.968 3.407 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.684 3.801 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.214 4.269 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.923 5.185 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.167 6.120 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.605 6.874 3.407 1.00 0.00 H new ATOM 755 N LYS A 52 2.436 5.357 -1.407 1.00 0.00 N ATOM 756 CA LYS A 52 1.719 4.950 -2.609 1.00 0.00 C ATOM 757 C LYS A 52 1.727 3.432 -2.758 1.00 0.00 C ATOM 758 O LYS A 52 2.787 2.814 -2.858 1.00 0.00 O ATOM 759 CB LYS A 52 2.346 5.598 -3.846 1.00 0.00 C ATOM 760 CG LYS A 52 1.460 5.539 -5.078 1.00 0.00 C ATOM 761 CD LYS A 52 2.183 6.058 -6.310 1.00 0.00 C ATOM 762 CE LYS A 52 1.980 7.554 -6.487 1.00 0.00 C ATOM 763 NZ LYS A 52 2.644 8.062 -7.719 1.00 0.00 N ATOM 0 H LYS A 52 3.364 4.946 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 52 0.685 5.284 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.575 6.640 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.292 5.103 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.140 4.511 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.559 6.129 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.248 5.842 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.820 5.534 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.913 7.773 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.376 8.080 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.482 9.086 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.666 7.876 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.248 7.579 -8.551 1.00 0.00 H new ATOM 777 N ILE A 53 0.538 2.838 -2.775 1.00 0.00 N ATOM 778 CA ILE A 53 0.409 1.393 -2.916 1.00 0.00 C ATOM 779 C ILE A 53 0.145 1.003 -4.366 1.00 0.00 C ATOM 780 O ILE A 53 -0.672 1.622 -5.047 1.00 0.00 O ATOM 781 CB ILE A 53 -0.726 0.840 -2.032 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.446 1.140 -0.558 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.888 -0.656 -2.253 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.681 1.089 0.314 1.00 0.00 C ATOM 0 H ILE A 53 -0.349 3.335 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 53 1.355 0.959 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.658 1.331 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.284 0.423 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.006 2.128 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.693 -1.032 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.128 -0.845 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.041 -1.164 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.408 1.312 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.405 1.825 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.122 0.094 0.262 1.00 0.00 H new ATOM 796 N TYR A 54 0.840 -0.029 -4.831 1.00 0.00 N ATOM 797 CA TYR A 54 0.681 -0.502 -6.201 1.00 0.00 C ATOM 798 C TYR A 54 0.970 -1.997 -6.298 1.00 0.00 C ATOM 799 O TYR A 54 2.044 -2.461 -5.910 1.00 0.00 O ATOM 800 CB TYR A 54 1.608 0.270 -7.141 1.00 0.00 C ATOM 801 CG TYR A 54 0.974 1.507 -7.735 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.768 2.645 -6.965 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.582 1.538 -9.068 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.188 3.777 -7.504 1.00 0.00 C ATOM 805 CE2 TYR A 54 0.003 2.666 -9.616 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.193 3.783 -8.830 1.00 0.00 C ATOM 807 OH TYR A 54 -0.769 4.909 -9.371 1.00 0.00 O ATOM 0 H TYR A 54 1.519 -0.554 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.353 -0.330 -6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.506 0.559 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.924 -0.390 -7.949 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.066 2.645 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.733 0.665 -9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.034 4.653 -6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.295 2.674 -10.654 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.312 5.141 -10.206 1.00 0.00 H new ATOM 817 N LEU A 55 0.006 -2.747 -6.820 1.00 0.00 N ATOM 818 CA LEU A 55 0.156 -4.191 -6.970 1.00 0.00 C ATOM 819 C LEU A 55 0.670 -4.543 -8.362 1.00 0.00 C ATOM 820 O LEU A 55 -0.107 -4.888 -9.254 1.00 0.00 O ATOM 821 CB LEU A 55 -1.180 -4.891 -6.715 1.00 0.00 C ATOM 822 CG LEU A 55 -1.476 -5.263 -5.262 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.791 -6.022 -5.163 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.337 -6.088 -4.680 1.00 0.00 C ATOM 0 H LEU A 55 -0.888 -2.380 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 55 0.885 -4.534 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.981 -4.244 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.211 -5.800 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.566 -4.344 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.985 -6.279 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.601 -5.397 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.730 -6.934 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.565 -6.344 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.216 -7.002 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.586 -5.510 -4.716 1.00 0.00 H new ATOM 836 N LEU A 56 1.983 -4.455 -8.541 1.00 0.00 N ATOM 837 CA LEU A 56 2.603 -4.767 -9.825 1.00 0.00 C ATOM 838 C LEU A 56 2.601 -6.271 -10.079 1.00 0.00 C ATOM 839 O LEU A 56 2.596 -7.082 -9.153 1.00 0.00 O ATOM 840 CB LEU A 56 4.036 -4.233 -9.865 1.00 0.00 C ATOM 841 CG LEU A 56 4.256 -2.854 -9.242 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.678 -2.725 -8.720 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.956 -1.758 -10.254 1.00 0.00 C ATOM 0 H LEU A 56 2.639 -4.170 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 56 2.020 -4.284 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.683 -4.947 -9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.360 -4.195 -10.905 1.00 0.00 H new ATOM 0 HG LEU A 56 3.571 -2.743 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.816 -1.737 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.858 -3.488 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.381 -2.857 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.118 -0.783 -9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.616 -1.867 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.919 -1.838 -10.580 1.00 0.00 H new ATOM 855 N PRO A 57 2.608 -6.654 -11.365 1.00 0.00 N ATOM 856 CA PRO A 57 2.613 -5.698 -12.476 1.00 0.00 C ATOM 857 C PRO A 57 1.291 -4.950 -12.603 1.00 0.00 C ATOM 858 O PRO A 57 1.264 -3.720 -12.646 1.00 0.00 O ATOM 859 CB PRO A 57 2.849 -6.581 -13.703 1.00 0.00 C ATOM 860 CG PRO A 57 2.340 -7.924 -13.307 1.00 0.00 C ATOM 861 CD PRO A 57 2.609 -8.050 -11.833 1.00 0.00 C ATOM 0 HA PRO A 57 3.366 -4.922 -12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.318 -6.198 -14.575 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.906 -6.620 -13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.275 -8.016 -13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.845 -8.713 -13.865 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.842 -8.642 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.564 -8.538 -11.639 1.00 0.00 H new ATOM 869 N ASP A 58 0.196 -5.700 -12.664 1.00 0.00 N ATOM 870 CA ASP A 58 -1.131 -5.107 -12.785 1.00 0.00 C ATOM 871 C ASP A 58 -1.228 -3.820 -11.971 1.00 0.00 C ATOM 872 O ASP A 58 -1.570 -3.845 -10.789 1.00 0.00 O ATOM 873 CB ASP A 58 -2.200 -6.099 -12.323 1.00 0.00 C ATOM 874 CG ASP A 58 -3.529 -5.884 -13.020 1.00 0.00 C ATOM 875 OD1 ASP A 58 -3.523 -5.632 -14.243 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.575 -5.967 -12.343 1.00 0.00 O ATOM 0 H ASP A 58 0.201 -6.719 -12.632 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.300 -4.865 -13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.854 -7.115 -12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.338 -6.004 -11.246 1.00 0.00 H new ATOM 881 N LYS A 59 -0.924 -2.697 -12.613 1.00 0.00 N ATOM 882 CA LYS A 59 -0.977 -1.399 -11.950 1.00 0.00 C ATOM 883 C LYS A 59 -2.401 -0.854 -11.933 1.00 0.00 C ATOM 884 O LYS A 59 -2.620 0.334 -11.698 1.00 0.00 O ATOM 885 CB LYS A 59 -0.048 -0.407 -12.653 1.00 0.00 C ATOM 886 CG LYS A 59 1.423 -0.634 -12.354 1.00 0.00 C ATOM 887 CD LYS A 59 2.291 0.451 -12.969 1.00 0.00 C ATOM 888 CE LYS A 59 3.771 0.141 -12.805 1.00 0.00 C ATOM 889 NZ LYS A 59 4.625 1.085 -13.578 1.00 0.00 N ATOM 0 H LYS A 59 -0.638 -2.659 -13.591 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.646 -1.531 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.206 -0.475 -13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.319 0.606 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.577 -0.656 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.728 -1.607 -12.739 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.054 0.551 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.065 1.409 -12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.038 0.191 -11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.967 -0.879 -13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.626 0.840 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.389 1.019 -14.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.457 2.056 -13.246 1.00 0.00 H new ATOM 903 N LYS A 60 -3.368 -1.731 -12.182 1.00 0.00 N ATOM 904 CA LYS A 60 -4.773 -1.339 -12.192 1.00 0.00 C ATOM 905 C LYS A 60 -5.274 -1.074 -10.777 1.00 0.00 C ATOM 906 O LYS A 60 -5.538 0.070 -10.405 1.00 0.00 O ATOM 907 CB LYS A 60 -5.622 -2.429 -12.850 1.00 0.00 C ATOM 908 CG LYS A 60 -7.014 -1.963 -13.240 1.00 0.00 C ATOM 909 CD LYS A 60 -8.005 -2.155 -12.104 1.00 0.00 C ATOM 910 CE LYS A 60 -9.368 -1.574 -12.449 1.00 0.00 C ATOM 911 NZ LYS A 60 -10.189 -1.325 -11.232 1.00 0.00 N ATOM 0 H LYS A 60 -3.204 -2.718 -12.380 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.864 -0.418 -12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.107 -2.792 -13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.709 -3.273 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.981 -0.910 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.352 -2.516 -14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.106 -3.218 -11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.623 -1.678 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.237 -0.640 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.898 -2.259 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.110 -0.929 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.336 -2.220 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.695 -0.651 -10.612 1.00 0.00 H new ATOM 925 N HIS A 61 -5.402 -2.138 -9.990 1.00 0.00 N ATOM 926 CA HIS A 61 -5.870 -2.019 -8.613 1.00 0.00 C ATOM 927 C HIS A 61 -4.769 -1.472 -7.711 1.00 0.00 C ATOM 928 O HIS A 61 -3.975 -2.229 -7.153 1.00 0.00 O ATOM 929 CB HIS A 61 -6.344 -3.377 -8.094 1.00 0.00 C ATOM 930 CG HIS A 61 -7.398 -3.279 -7.035 1.00 0.00 C ATOM 931 ND1 HIS A 61 -7.406 -4.070 -5.905 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.482 -2.475 -6.937 1.00 0.00 C ATOM 933 CE1 HIS A 61 -8.450 -3.758 -5.159 1.00 0.00 C ATOM 934 NE2 HIS A 61 -9.120 -2.792 -5.763 1.00 0.00 N ATOM 0 H HIS A 61 -5.188 -3.092 -10.282 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.707 -1.321 -8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.733 -3.960 -8.929 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.489 -3.923 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.788 -1.724 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.712 -4.214 -4.216 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.972 -2.353 -5.414 1.00 0.00 H new ATOM 943 N LYS A 62 -4.726 -0.151 -7.572 1.00 0.00 N ATOM 944 CA LYS A 62 -3.723 0.499 -6.736 1.00 0.00 C ATOM 945 C LYS A 62 -4.379 1.443 -5.734 1.00 0.00 C ATOM 946 O LYS A 62 -5.477 1.949 -5.968 1.00 0.00 O ATOM 947 CB LYS A 62 -2.729 1.272 -7.606 1.00 0.00 C ATOM 948 CG LYS A 62 -3.291 2.566 -8.168 1.00 0.00 C ATOM 949 CD LYS A 62 -4.007 2.336 -9.489 1.00 0.00 C ATOM 950 CE LYS A 62 -4.231 3.642 -10.236 1.00 0.00 C ATOM 951 NZ LYS A 62 -3.034 4.039 -11.029 1.00 0.00 N ATOM 0 H LYS A 62 -5.375 0.491 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.189 -0.274 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.841 1.498 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.410 0.636 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.983 3.005 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.483 3.283 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.421 1.657 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.966 1.852 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.089 3.538 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.473 4.431 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.283 4.824 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.276 4.343 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.706 3.228 -11.592 1.00 0.00 H new ATOM 965 N LEU A 63 -3.699 1.677 -4.617 1.00 0.00 N ATOM 966 CA LEU A 63 -4.214 2.563 -3.578 1.00 0.00 C ATOM 967 C LEU A 63 -3.125 3.503 -3.074 1.00 0.00 C ATOM 968 O LEU A 63 -1.955 3.360 -3.429 1.00 0.00 O ATOM 969 CB LEU A 63 -4.775 1.743 -2.415 1.00 0.00 C ATOM 970 CG LEU A 63 -6.244 1.334 -2.529 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.374 0.013 -3.271 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.880 1.237 -1.149 1.00 0.00 C ATOM 0 H LEU A 63 -2.790 1.266 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.014 3.164 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.174 0.840 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.649 2.318 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.771 2.100 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.426 -0.262 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.957 0.116 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.832 -0.763 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.925 0.945 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.350 0.491 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.820 2.205 -0.652 1.00 0.00 H new ATOM 984 N GLU A 64 -3.518 4.464 -2.243 1.00 0.00 N ATOM 985 CA GLU A 64 -2.573 5.427 -1.689 1.00 0.00 C ATOM 986 C GLU A 64 -3.024 5.899 -0.310 1.00 0.00 C ATOM 987 O GLU A 64 -4.210 5.856 0.018 1.00 0.00 O ATOM 988 CB GLU A 64 -2.425 6.627 -2.628 1.00 0.00 C ATOM 989 CG GLU A 64 -1.662 6.311 -3.903 1.00 0.00 C ATOM 990 CD GLU A 64 -2.554 5.747 -4.992 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.543 6.417 -5.354 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.262 4.636 -5.482 1.00 0.00 O ATOM 0 H GLU A 64 -4.483 4.596 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.607 4.933 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.416 6.997 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.914 7.431 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.179 7.218 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.870 5.596 -3.680 1.00 0.00 H new ATOM 999 N THR A 65 -2.067 6.350 0.496 1.00 0.00 N ATOM 1000 CA THR A 65 -2.364 6.829 1.841 1.00 0.00 C ATOM 1001 C THR A 65 -2.515 8.345 1.863 1.00 0.00 C ATOM 1002 O THR A 65 -2.225 9.024 0.878 1.00 0.00 O ATOM 1003 CB THR A 65 -1.264 6.419 2.838 1.00 0.00 C ATOM 1004 OG1 THR A 65 -0.002 6.954 2.423 1.00 0.00 O ATOM 1005 CG2 THR A 65 -1.168 4.905 2.946 1.00 0.00 C ATOM 0 H THR A 65 -1.080 6.394 0.241 1.00 0.00 H new ATOM 0 HA THR A 65 -3.306 6.369 2.141 1.00 0.00 H new ATOM 0 HB THR A 65 -1.524 6.821 3.817 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.492 7.272 3.207 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.384 4.640 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.121 4.504 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.930 4.485 1.969 1.00 0.00 H new ATOM 1013 N LYS A 66 -2.971 8.873 2.994 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.160 10.311 3.147 1.00 0.00 C ATOM 1015 C LYS A 66 -1.820 11.040 3.125 1.00 0.00 C ATOM 1016 O LYS A 66 -0.763 10.422 3.248 1.00 0.00 O ATOM 1017 CB LYS A 66 -3.895 10.613 4.455 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.408 10.599 4.319 1.00 0.00 C ATOM 1019 CD LYS A 66 -5.923 11.878 3.680 1.00 0.00 C ATOM 1020 CE LYS A 66 -7.324 11.695 3.119 1.00 0.00 C ATOM 1021 NZ LYS A 66 -7.312 10.952 1.828 1.00 0.00 N ATOM 0 H LYS A 66 -3.217 8.326 3.819 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.761 10.665 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.599 9.880 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.580 11.590 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.712 9.743 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.861 10.475 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.928 12.679 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.247 12.185 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.937 11.157 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.787 12.671 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.272 10.936 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.667 11.423 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.989 9.977 1.992 1.00 0.00 H new ATOM 1035 N VAL A 67 -1.873 12.359 2.968 1.00 0.00 N ATOM 1036 CA VAL A 67 -0.664 13.174 2.932 1.00 0.00 C ATOM 1037 C VAL A 67 -0.683 14.235 4.027 1.00 0.00 C ATOM 1038 O VAL A 67 -1.474 15.177 3.980 1.00 0.00 O ATOM 1039 CB VAL A 67 -0.493 13.864 1.566 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -1.741 14.656 1.207 1.00 0.00 C ATOM 1041 CG2 VAL A 67 0.735 14.763 1.574 1.00 0.00 C ATOM 0 H VAL A 67 -2.740 12.886 2.864 1.00 0.00 H new ATOM 0 HA VAL A 67 0.177 12.500 3.098 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.349 13.096 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.601 15.136 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.597 13.983 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.920 15.417 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.841 15.243 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.622 15.526 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.622 14.165 1.782 1.00 0.00 H new ATOM 1051 N LYS A 68 0.193 14.076 5.012 1.00 0.00 N ATOM 1052 CA LYS A 68 0.280 15.020 6.120 1.00 0.00 C ATOM 1053 C LYS A 68 1.185 16.195 5.763 1.00 0.00 C ATOM 1054 O LYS A 68 2.352 16.010 5.419 1.00 0.00 O ATOM 1055 CB LYS A 68 0.806 14.320 7.375 1.00 0.00 C ATOM 1056 CG LYS A 68 -0.009 13.105 7.780 1.00 0.00 C ATOM 1057 CD LYS A 68 -1.132 13.479 8.734 1.00 0.00 C ATOM 1058 CE LYS A 68 -2.166 12.369 8.842 1.00 0.00 C ATOM 1059 NZ LYS A 68 -3.410 12.834 9.514 1.00 0.00 N ATOM 0 H LYS A 68 0.854 13.301 5.066 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.721 15.402 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.838 14.014 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.816 15.032 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.428 12.634 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.642 12.370 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.718 13.689 9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.614 14.394 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.408 12.000 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.744 11.532 9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.090 12.049 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.184 13.163 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.827 13.616 8.970 1.00 0.00 H new ATOM 1073 N ARG A 69 0.639 17.404 5.849 1.00 0.00 N ATOM 1074 CA ARG A 69 1.397 18.609 5.535 1.00 0.00 C ATOM 1075 C ARG A 69 2.345 18.967 6.676 1.00 0.00 C ATOM 1076 O ARG A 69 2.122 18.586 7.826 1.00 0.00 O ATOM 1077 CB ARG A 69 0.449 19.777 5.259 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.741 19.404 4.390 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.346 19.287 2.926 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.487 19.479 2.035 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.096 20.646 1.862 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -1.676 21.720 2.516 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.128 20.741 1.033 1.00 0.00 N ATOM 0 H ARG A 69 -0.326 17.575 6.134 1.00 0.00 H new ATOM 0 HA ARG A 69 1.989 18.413 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.086 20.171 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.006 20.579 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.160 18.458 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.522 20.156 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.421 20.027 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.093 18.306 2.746 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.835 18.672 1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.883 21.651 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.146 22.615 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.454 19.917 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.595 21.638 0.901 1.00 0.00 H new ATOM 1097 N LYS A 70 3.403 19.703 6.351 1.00 0.00 N ATOM 1098 CA LYS A 70 4.384 20.114 7.348 1.00 0.00 C ATOM 1099 C LYS A 70 4.718 18.962 8.291 1.00 0.00 C ATOM 1100 O LYS A 70 4.613 19.095 9.509 1.00 0.00 O ATOM 1101 CB LYS A 70 3.859 21.307 8.149 1.00 0.00 C ATOM 1102 CG LYS A 70 3.744 22.584 7.334 1.00 0.00 C ATOM 1103 CD LYS A 70 2.454 22.621 6.534 1.00 0.00 C ATOM 1104 CE LYS A 70 2.617 23.421 5.250 1.00 0.00 C ATOM 1105 NZ LYS A 70 1.303 23.835 4.684 1.00 0.00 N ATOM 0 H LYS A 70 3.603 20.027 5.405 1.00 0.00 H new ATOM 0 HA LYS A 70 5.294 20.408 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.880 21.057 8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.521 21.485 8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.785 23.446 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.595 22.663 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.145 21.604 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.661 23.061 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.222 24.306 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.157 22.823 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.457 24.378 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.735 22.990 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.798 24.427 5.375 1.00 0.00 H new ATOM 1119 N ASN A 71 5.122 17.833 7.718 1.00 0.00 N ATOM 1120 CA ASN A 71 5.472 16.658 8.508 1.00 0.00 C ATOM 1121 C ASN A 71 6.292 15.672 7.682 1.00 0.00 C ATOM 1122 O ASN A 71 5.777 15.042 6.757 1.00 0.00 O ATOM 1123 CB ASN A 71 4.207 15.975 9.032 1.00 0.00 C ATOM 1124 CG ASN A 71 4.447 15.234 10.334 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.525 14.681 10.557 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.442 15.221 11.201 1.00 0.00 N ATOM 0 H ASN A 71 5.215 17.707 6.710 1.00 0.00 H new ATOM 0 HA ASN A 71 6.076 16.986 9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.429 16.723 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.838 15.276 8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.545 14.739 12.094 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.567 15.693 10.974 1.00 0.00 H new ATOM 1133 N LEU A 72 7.569 15.542 8.023 1.00 0.00 N ATOM 1134 CA LEU A 72 8.461 14.631 7.313 1.00 0.00 C ATOM 1135 C LEU A 72 8.417 13.236 7.929 1.00 0.00 C ATOM 1136 O LEU A 72 8.658 12.239 7.249 1.00 0.00 O ATOM 1137 CB LEU A 72 9.894 15.166 7.339 1.00 0.00 C ATOM 1138 CG LEU A 72 10.110 16.535 6.693 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.524 17.032 6.955 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.835 16.470 5.198 1.00 0.00 C ATOM 0 H LEU A 72 8.010 16.055 8.786 1.00 0.00 H new ATOM 0 HA LEU A 72 8.123 14.563 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.222 15.220 8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.539 14.444 6.838 1.00 0.00 H new ATOM 0 HG LEU A 72 9.410 17.240 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.659 18.007 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.686 17.119 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.241 16.326 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.994 17.453 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.510 15.750 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.804 16.159 5.031 1.00 0.00 H new ATOM 1152 N ASN A 73 8.103 13.174 9.219 1.00 0.00 N ATOM 1153 CA ASN A 73 8.025 11.900 9.925 1.00 0.00 C ATOM 1154 C ASN A 73 6.612 11.652 10.444 1.00 0.00 C ATOM 1155 O ASN A 73 6.403 11.308 11.608 1.00 0.00 O ATOM 1156 CB ASN A 73 9.019 11.877 11.088 1.00 0.00 C ATOM 1157 CG ASN A 73 10.331 12.554 10.742 1.00 0.00 C ATOM 1158 OD1 ASN A 73 11.096 12.062 9.912 1.00 0.00 O ATOM 1159 ND2 ASN A 73 10.596 13.689 11.378 1.00 0.00 N ATOM 0 H ASN A 73 7.899 13.990 9.796 1.00 0.00 H new ATOM 0 HA ASN A 73 8.279 11.107 9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.575 12.372 11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.212 10.844 11.377 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.463 14.190 11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.932 14.059 12.058 1.00 0.00 H new ATOM 1166 N PRO A 74 5.618 11.829 9.562 1.00 0.00 N ATOM 1167 CA PRO A 74 4.207 11.629 9.907 1.00 0.00 C ATOM 1168 C PRO A 74 3.870 10.160 10.139 1.00 0.00 C ATOM 1169 O PRO A 74 4.589 9.269 9.686 1.00 0.00 O ATOM 1170 CB PRO A 74 3.463 12.161 8.680 1.00 0.00 C ATOM 1171 CG PRO A 74 4.433 12.021 7.558 1.00 0.00 C ATOM 1172 CD PRO A 74 5.794 12.239 8.158 1.00 0.00 C ATOM 0 HA PRO A 74 3.939 12.132 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.554 11.591 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.165 13.200 8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.361 11.034 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.231 12.751 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.555 11.640 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.106 13.281 8.080 1.00 0.00 H new ATOM 1180 N HIS A 75 2.773 9.915 10.848 1.00 0.00 N ATOM 1181 CA HIS A 75 2.340 8.553 11.140 1.00 0.00 C ATOM 1182 C HIS A 75 0.978 8.270 10.514 1.00 0.00 C ATOM 1183 O HIS A 75 -0.015 8.919 10.844 1.00 0.00 O ATOM 1184 CB HIS A 75 2.277 8.328 12.651 1.00 0.00 C ATOM 1185 CG HIS A 75 0.964 8.715 13.259 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.335 9.912 13.321 1.00 0.00 N flip ATOM 1187 CD2 HIS A 75 0.139 7.817 13.903 1.00 0.00 C flip ATOM 1188 CE1 HIS A 75 -0.846 9.718 13.993 1.00 0.00 C flip ATOM 1189 NE2 HIS A 75 -0.941 8.445 14.333 1.00 0.00 N flip ATOM 0 H HIS A 75 2.168 10.641 11.231 1.00 0.00 H new ATOM 0 HA HIS A 75 3.068 7.866 10.708 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.470 7.276 12.862 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.072 8.900 13.129 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.344 6.765 14.035 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.578 10.482 14.209 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.716 8.019 14.841 1.00 0.00 H new ATOM 1198 N TRP A 76 0.939 7.299 9.609 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.302 6.931 8.936 1.00 0.00 C ATOM 1200 C TRP A 76 -1.027 5.826 9.696 1.00 0.00 C ATOM 1201 O TRP A 76 -2.202 5.960 10.034 1.00 0.00 O ATOM 1202 CB TRP A 76 -0.015 6.477 7.504 1.00 0.00 C ATOM 1203 CG TRP A 76 0.527 7.570 6.632 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.156 8.650 6.152 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.865 7.686 6.136 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.677 9.431 5.387 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.922 8.862 5.363 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.021 6.913 6.272 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.089 9.279 4.728 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.178 7.328 5.641 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.206 8.503 4.877 1.00 0.00 C ATOM 0 H TRP A 76 1.752 6.752 9.324 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.945 7.811 8.909 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.698 5.653 7.528 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.933 6.091 7.062 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.198 8.860 6.345 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.411 10.295 4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.010 6.007 6.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.112 10.184 4.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.077 6.737 5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.126 8.801 4.397 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.317 4.734 9.963 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.894 3.605 10.684 1.00 0.00 C ATOM 1224 C ASN A 77 -2.252 3.224 10.102 1.00 0.00 C ATOM 1225 O ASN A 77 -3.183 2.895 10.836 1.00 0.00 O ATOM 1226 CB ASN A 77 -1.040 3.942 12.169 1.00 0.00 C ATOM 1227 CG ASN A 77 0.290 4.266 12.822 1.00 0.00 C ATOM 1228 OD1 ASN A 77 0.993 5.185 12.402 1.00 0.00 O ATOM 1229 ND2 ASN A 77 0.641 3.509 13.855 1.00 0.00 N ATOM 0 H ASN A 77 0.658 4.607 9.691 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.221 2.755 10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.713 4.792 12.281 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.500 3.100 12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.525 3.679 14.335 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.027 2.758 14.169 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.356 3.272 8.777 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.601 2.932 8.097 1.00 0.00 C ATOM 1238 C GLU A 78 -3.694 1.429 7.852 1.00 0.00 C ATOM 1239 O GLU A 78 -2.702 0.707 7.963 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.703 3.684 6.768 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.344 5.056 6.892 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.729 4.999 7.506 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.663 4.532 6.821 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -5.879 5.422 8.671 1.00 0.00 O ATOM 0 H GLU A 78 -1.595 3.542 8.154 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.430 3.230 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.704 3.796 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.281 3.085 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.707 5.697 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.407 5.514 5.905 1.00 0.00 H new ATOM 1251 N THR A 79 -4.894 0.962 7.519 1.00 0.00 N ATOM 1252 CA THR A 79 -5.118 -0.454 7.260 1.00 0.00 C ATOM 1253 C THR A 79 -5.892 -0.660 5.963 1.00 0.00 C ATOM 1254 O THR A 79 -7.069 -0.312 5.868 1.00 0.00 O ATOM 1255 CB THR A 79 -5.889 -1.121 8.415 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.286 -0.779 9.668 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.907 -2.633 8.252 1.00 0.00 C ATOM 0 H THR A 79 -5.725 1.545 7.423 1.00 0.00 H new ATOM 0 HA THR A 79 -4.136 -0.918 7.172 1.00 0.00 H new ATOM 0 HB THR A 79 -6.916 -0.757 8.395 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.783 -1.205 10.397 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.457 -3.082 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.392 -2.892 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.885 -3.011 8.249 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.223 -1.228 4.965 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.849 -1.480 3.672 1.00 0.00 C ATOM 1267 C PHE A 80 -6.237 -2.949 3.532 1.00 0.00 C ATOM 1268 O PHE A 80 -5.732 -3.808 4.258 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.902 -1.081 2.537 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.558 0.381 2.530 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -3.496 0.860 3.279 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -5.298 1.276 1.774 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -3.177 2.205 3.274 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -4.983 2.622 1.765 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.922 3.087 2.516 1.00 0.00 C ATOM 0 H PHE A 80 -4.248 -1.522 5.027 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.754 -0.876 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.983 -1.662 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.360 -1.343 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.910 0.175 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.130 0.918 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.346 2.566 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.567 3.309 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.675 4.138 2.511 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.136 -3.231 2.596 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.593 -4.596 2.361 1.00 0.00 C ATOM 1287 C LEU A 81 -7.855 -4.835 0.877 1.00 0.00 C ATOM 1288 O LEU A 81 -8.663 -4.140 0.259 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.863 -4.876 3.166 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.713 -4.848 4.688 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.068 -4.671 5.355 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -8.036 -6.119 5.180 1.00 0.00 C ATOM 0 H LEU A 81 -7.563 -2.533 1.987 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.807 -5.277 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.618 -4.143 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.244 -5.855 2.876 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.086 -3.998 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.941 -4.653 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.515 -3.733 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.720 -5.500 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.937 -6.082 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.638 -6.984 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.047 -6.203 4.728 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.169 -5.822 0.311 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.329 -6.154 -1.100 1.00 0.00 C ATOM 1306 C PHE A 82 -8.190 -7.402 -1.271 1.00 0.00 C ATOM 1307 O PHE A 82 -7.705 -8.525 -1.136 1.00 0.00 O ATOM 1308 CB PHE A 82 -5.962 -6.369 -1.752 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.196 -5.096 -1.973 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.561 -4.218 -2.980 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.111 -4.778 -1.172 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -4.857 -3.047 -3.186 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.403 -3.608 -1.372 1.00 0.00 C ATOM 1314 CZ PHE A 82 -3.777 -2.740 -2.380 1.00 0.00 C ATOM 0 H PHE A 82 -6.497 -6.406 0.808 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.830 -5.319 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.370 -7.036 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.100 -6.871 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.406 -4.451 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.815 -5.452 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.150 -2.372 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.559 -3.372 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.227 -1.824 -2.538 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.469 -7.195 -1.569 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.397 -8.304 -1.758 1.00 0.00 C ATOM 1326 C GLU A 83 -10.518 -8.667 -3.235 1.00 0.00 C ATOM 1327 O GLU A 83 -10.369 -7.814 -4.109 1.00 0.00 O ATOM 1328 CB GLU A 83 -11.774 -7.946 -1.195 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.748 -7.545 0.270 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.103 -7.680 0.937 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -14.020 -6.913 0.579 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.245 -8.555 1.817 1.00 0.00 O ATOM 0 H GLU A 83 -9.886 -6.271 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.005 -9.168 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.194 -7.128 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.440 -8.800 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.024 -8.164 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.407 -6.513 0.354 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.789 -9.940 -3.505 1.00 0.00 N ATOM 1340 CA GLY A 84 -10.924 -10.395 -4.877 1.00 0.00 C ATOM 1341 C GLY A 84 -9.612 -10.881 -5.459 1.00 0.00 C ATOM 1342 O GLY A 84 -9.400 -10.817 -6.670 1.00 0.00 O ATOM 0 H GLY A 84 -10.918 -10.664 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.657 -11.201 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.310 -9.581 -5.490 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.726 -11.365 -4.595 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.426 -11.861 -5.030 1.00 0.00 C ATOM 1348 C PHE A 85 -7.001 -13.071 -4.203 1.00 0.00 C ATOM 1349 O PHE A 85 -6.683 -12.965 -3.019 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.372 -10.757 -4.919 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.250 -9.918 -6.158 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.181 -8.930 -6.436 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.204 -10.116 -7.045 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.071 -8.156 -7.576 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -5.089 -9.346 -8.187 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.023 -8.364 -8.452 1.00 0.00 C ATOM 0 H PHE A 85 -8.885 -11.424 -3.589 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.512 -12.168 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.620 -10.112 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.405 -11.210 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.002 -8.763 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.470 -10.881 -6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.803 -7.389 -7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.270 -9.512 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.934 -7.760 -9.343 1.00 0.00 H new ATOM 1366 N PRO A 86 -6.994 -14.251 -4.842 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.611 -15.504 -4.185 1.00 0.00 C ATOM 1368 C PRO A 86 -5.121 -15.558 -3.866 1.00 0.00 C ATOM 1369 O PRO A 86 -4.292 -15.085 -4.643 1.00 0.00 O ATOM 1370 CB PRO A 86 -6.975 -16.572 -5.220 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.925 -15.864 -6.529 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.361 -14.452 -6.254 1.00 0.00 C ATOM 0 HA PRO A 86 -7.112 -15.632 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.272 -17.405 -5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.966 -16.985 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.918 -15.887 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.583 -16.341 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.854 -13.741 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.432 -14.324 -6.413 1.00 0.00 H new ATOM 1380 N TYR A 87 -4.787 -16.138 -2.718 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.397 -16.252 -2.295 1.00 0.00 C ATOM 1382 C TYR A 87 -2.525 -16.787 -3.427 1.00 0.00 C ATOM 1383 O TYR A 87 -1.417 -16.303 -3.653 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.286 -17.169 -1.075 1.00 0.00 C ATOM 1385 CG TYR A 87 -1.869 -17.591 -0.761 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.219 -18.542 -1.537 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.180 -17.039 0.312 1.00 0.00 C ATOM 1388 CE1 TYR A 87 0.076 -18.932 -1.254 1.00 0.00 C ATOM 1389 CE2 TYR A 87 0.115 -17.421 0.602 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.739 -18.368 -0.184 1.00 0.00 C ATOM 1391 OH TYR A 87 2.029 -18.753 0.103 1.00 0.00 O ATOM 0 H TYR A 87 -5.461 -16.536 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.043 -15.256 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.704 -16.658 -0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.892 -18.059 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.735 -18.984 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.666 -16.298 0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.566 -19.674 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.636 -16.981 1.439 1.00 0.00 H new ATOM 0 HH TYR A 87 2.351 -18.260 0.886 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.036 -17.789 -4.136 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.304 -18.390 -5.245 1.00 0.00 C ATOM 1403 C GLU A 88 -1.875 -17.328 -6.253 1.00 0.00 C ATOM 1404 O GLU A 88 -0.859 -17.475 -6.933 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.164 -19.449 -5.938 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.320 -18.868 -6.735 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.685 -19.716 -7.938 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -5.117 -20.871 -7.739 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -4.537 -19.227 -9.077 1.00 0.00 O ATOM 0 H GLU A 88 -3.953 -18.201 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.410 -18.865 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.534 -20.038 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.559 -20.133 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.191 -18.771 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.058 -17.864 -7.069 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.657 -16.257 -6.344 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.359 -15.169 -7.268 1.00 0.00 C ATOM 1418 C LYS A 89 -1.599 -14.050 -6.563 1.00 0.00 C ATOM 1419 O LYS A 89 -0.528 -13.637 -7.008 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.652 -14.619 -7.873 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.218 -15.483 -8.987 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.063 -14.667 -9.951 1.00 0.00 C ATOM 1423 CE LYS A 89 -4.199 -13.921 -10.957 1.00 0.00 C ATOM 1424 NZ LYS A 89 -3.752 -14.806 -12.068 1.00 0.00 N ATOM 0 H LYS A 89 -3.502 -16.120 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.731 -15.564 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.399 -14.521 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.465 -13.618 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.402 -15.959 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.823 -16.282 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.752 -15.326 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.669 -13.954 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.761 -13.081 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.328 -13.506 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.166 -14.261 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.195 -15.594 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.583 -15.182 -12.568 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.159 -13.564 -5.460 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.533 -12.494 -4.692 1.00 0.00 C ATOM 1440 C VAL A 90 -0.036 -12.735 -4.534 1.00 0.00 C ATOM 1441 O VAL A 90 0.748 -11.792 -4.421 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.170 -12.358 -3.296 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.494 -13.295 -2.307 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.094 -10.917 -2.815 1.00 0.00 C ATOM 0 H VAL A 90 -3.045 -13.894 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.693 -11.570 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.221 -12.639 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.957 -13.185 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.605 -14.325 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.435 -13.048 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.548 -10.839 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.051 -10.606 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.628 -10.272 -3.512 1.00 0.00 H new ATOM 1454 N VAL A 91 0.356 -14.006 -4.527 1.00 0.00 N ATOM 1455 CA VAL A 91 1.760 -14.372 -4.385 1.00 0.00 C ATOM 1456 C VAL A 91 2.557 -13.989 -5.627 1.00 0.00 C ATOM 1457 O VAL A 91 3.702 -13.548 -5.530 1.00 0.00 O ATOM 1458 CB VAL A 91 1.923 -15.882 -4.130 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.355 -16.258 -2.770 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.255 -16.684 -5.236 1.00 0.00 C ATOM 0 H VAL A 91 -0.279 -14.799 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 91 2.145 -13.822 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 91 2.987 -16.120 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.479 -17.329 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.883 -15.709 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.295 -16.006 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.380 -17.749 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.192 -16.443 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.713 -16.435 -6.193 1.00 0.00 H new ATOM 1470 N GLN A 92 1.943 -14.159 -6.793 1.00 0.00 N ATOM 1471 CA GLN A 92 2.595 -13.831 -8.055 1.00 0.00 C ATOM 1472 C GLN A 92 2.762 -12.323 -8.206 1.00 0.00 C ATOM 1473 O GLN A 92 3.536 -11.854 -9.040 1.00 0.00 O ATOM 1474 CB GLN A 92 1.789 -14.387 -9.230 1.00 0.00 C ATOM 1475 CG GLN A 92 1.510 -15.878 -9.125 1.00 0.00 C ATOM 1476 CD GLN A 92 0.892 -16.446 -10.387 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -0.427 -16.343 -10.499 1.00 0.00 O flip ATOM 1478 NE2 GLN A 92 1.592 -16.972 -11.253 1.00 0.00 N flip ATOM 0 H GLN A 92 0.995 -14.522 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 92 3.584 -14.289 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.841 -13.852 -9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.330 -14.191 -10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.441 -16.404 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.841 -16.060 -8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.602 -17.030 -11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.161 -17.350 -12.097 1.00 0.00 H new ATOM 1487 N ARG A 93 2.029 -11.567 -7.393 1.00 0.00 N ATOM 1488 CA ARG A 93 2.095 -10.112 -7.438 1.00 0.00 C ATOM 1489 C ARG A 93 3.195 -9.589 -6.520 1.00 0.00 C ATOM 1490 O ARG A 93 3.736 -10.330 -5.698 1.00 0.00 O ATOM 1491 CB ARG A 93 0.749 -9.507 -7.034 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.419 -10.008 -7.868 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.275 -9.603 -9.327 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.566 -9.540 -10.007 1.00 0.00 N ATOM 1495 CZ ARG A 93 -1.706 -9.610 -11.327 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -0.640 -9.744 -12.103 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -2.914 -9.545 -11.871 1.00 0.00 N ATOM 0 H ARG A 93 1.383 -11.939 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 93 2.327 -9.815 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.559 -9.733 -5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.807 -8.422 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.481 -11.094 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.351 -9.608 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.214 -8.631 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.370 -10.317 -9.839 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.406 -9.437 -9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.290 -9.794 -11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.750 -9.798 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.736 -9.441 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.021 -9.599 -12.884 1.00 0.00 H new ATOM 1511 N ILE A 94 3.522 -8.309 -6.666 1.00 0.00 N ATOM 1512 CA ILE A 94 4.557 -7.688 -5.850 1.00 0.00 C ATOM 1513 C ILE A 94 4.051 -6.402 -5.204 1.00 0.00 C ATOM 1514 O ILE A 94 3.281 -5.653 -5.807 1.00 0.00 O ATOM 1515 CB ILE A 94 5.815 -7.370 -6.681 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.580 -8.656 -6.999 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.706 -6.387 -5.937 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.386 -8.578 -8.277 1.00 0.00 C ATOM 0 H ILE A 94 3.085 -7.682 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 94 4.817 -8.406 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 94 5.507 -6.911 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.249 -8.886 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.872 -9.481 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.591 -6.172 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.157 -5.463 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.010 -6.821 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.902 -9.524 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.719 -8.379 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.118 -7.774 -8.197 1.00 0.00 H new ATOM 1530 N LEU A 95 4.488 -6.152 -3.975 1.00 0.00 N ATOM 1531 CA LEU A 95 4.081 -4.956 -3.246 1.00 0.00 C ATOM 1532 C LEU A 95 4.971 -3.770 -3.606 1.00 0.00 C ATOM 1533 O LEU A 95 6.191 -3.829 -3.456 1.00 0.00 O ATOM 1534 CB LEU A 95 4.135 -5.210 -1.739 1.00 0.00 C ATOM 1535 CG LEU A 95 3.361 -4.223 -0.864 1.00 0.00 C ATOM 1536 CD1 LEU A 95 1.862 -4.398 -1.059 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.734 -4.401 0.600 1.00 0.00 C ATOM 0 H LEU A 95 5.125 -6.762 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 95 3.056 -4.718 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.753 -6.213 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.179 -5.201 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 95 3.631 -3.211 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.328 -3.687 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.608 -4.219 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.575 -5.413 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.173 -3.690 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.494 -5.416 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.802 -4.224 0.727 1.00 0.00 H new ATOM 1549 N TYR A 96 4.351 -2.694 -4.078 1.00 0.00 N ATOM 1550 CA TYR A 96 5.086 -1.494 -4.459 1.00 0.00 C ATOM 1551 C TYR A 96 4.698 -0.313 -3.575 1.00 0.00 C ATOM 1552 O TYR A 96 3.568 0.174 -3.631 1.00 0.00 O ATOM 1553 CB TYR A 96 4.824 -1.155 -5.927 1.00 0.00 C ATOM 1554 CG TYR A 96 5.707 -0.049 -6.460 1.00 0.00 C ATOM 1555 CD1 TYR A 96 7.006 -0.311 -6.878 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.242 1.257 -6.547 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.817 0.696 -7.364 1.00 0.00 C ATOM 1558 CE2 TYR A 96 6.045 2.271 -7.033 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.332 1.985 -7.441 1.00 0.00 C ATOM 1560 OH TYR A 96 8.136 2.991 -7.926 1.00 0.00 O ATOM 0 H TYR A 96 3.341 -2.628 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 96 6.149 -1.692 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.974 -2.050 -6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.780 -0.863 -6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.388 -1.320 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.235 1.484 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.825 0.475 -7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.668 3.281 -7.093 1.00 0.00 H new ATOM 0 HH TYR A 96 7.587 3.774 -8.140 1.00 0.00 H new ATOM 1570 N LEU A 97 5.642 0.142 -2.759 1.00 0.00 N ATOM 1571 CA LEU A 97 5.401 1.267 -1.862 1.00 0.00 C ATOM 1572 C LEU A 97 6.300 2.447 -2.214 1.00 0.00 C ATOM 1573 O LEU A 97 7.517 2.386 -2.040 1.00 0.00 O ATOM 1574 CB LEU A 97 5.637 0.847 -0.410 1.00 0.00 C ATOM 1575 CG LEU A 97 4.844 -0.367 0.075 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.529 -1.009 1.271 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.418 0.032 0.425 1.00 0.00 C ATOM 0 H LEU A 97 6.582 -0.251 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 97 4.363 1.577 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.699 0.637 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.399 1.693 0.235 1.00 0.00 H new ATOM 0 HG LEU A 97 4.807 -1.099 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.950 -1.871 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.531 -1.332 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.598 -0.285 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.869 -0.845 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.434 0.783 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.929 0.444 -0.457 1.00 0.00 H new ATOM 1589 N GLN A 98 5.692 3.521 -2.709 1.00 0.00 N ATOM 1590 CA GLN A 98 6.439 4.716 -3.085 1.00 0.00 C ATOM 1591 C GLN A 98 6.053 5.898 -2.203 1.00 0.00 C ATOM 1592 O GLN A 98 4.874 6.227 -2.069 1.00 0.00 O ATOM 1593 CB GLN A 98 6.190 5.058 -4.555 1.00 0.00 C ATOM 1594 CG GLN A 98 7.081 6.172 -5.080 1.00 0.00 C ATOM 1595 CD GLN A 98 6.837 6.472 -6.546 1.00 0.00 C ATOM 1596 OE1 GLN A 98 5.749 6.899 -6.931 1.00 0.00 O ATOM 1597 NE2 GLN A 98 7.853 6.250 -7.372 1.00 0.00 N ATOM 0 H GLN A 98 4.685 3.588 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 98 7.500 4.511 -2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.346 4.164 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.147 5.349 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.910 7.075 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.125 5.894 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.738 5.895 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.749 6.434 -8.370 1.00 0.00 H new ATOM 1606 N VAL A 99 7.054 6.534 -1.602 1.00 0.00 N ATOM 1607 CA VAL A 99 6.819 7.681 -0.733 1.00 0.00 C ATOM 1608 C VAL A 99 7.194 8.985 -1.430 1.00 0.00 C ATOM 1609 O VAL A 99 8.373 9.317 -1.557 1.00 0.00 O ATOM 1610 CB VAL A 99 7.618 7.565 0.578 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.429 8.810 1.431 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.206 6.316 1.344 1.00 0.00 C ATOM 0 H VAL A 99 8.035 6.274 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 99 5.754 7.689 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 99 8.676 7.480 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.001 8.709 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.778 9.684 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.372 8.930 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.781 6.250 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.143 6.368 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.399 5.434 0.733 1.00 0.00 H new ATOM 1622 N LEU A 100 6.183 9.720 -1.880 1.00 0.00 N ATOM 1623 CA LEU A 100 6.406 10.989 -2.564 1.00 0.00 C ATOM 1624 C LEU A 100 5.779 12.143 -1.789 1.00 0.00 C ATOM 1625 O LEU A 100 5.146 11.937 -0.753 1.00 0.00 O ATOM 1626 CB LEU A 100 5.828 10.937 -3.979 1.00 0.00 C ATOM 1627 CG LEU A 100 5.893 9.580 -4.681 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.019 8.564 -3.962 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.473 9.711 -6.137 1.00 0.00 C ATOM 0 H LEU A 100 5.202 9.459 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 100 7.481 11.157 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.785 11.252 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.356 11.667 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 100 6.924 9.227 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.078 7.605 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.366 8.447 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.986 8.911 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.526 8.735 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.451 10.087 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.141 10.405 -6.647 1.00 0.00 H new ATOM 1641 N ASP A 101 5.957 13.357 -2.298 1.00 0.00 N ATOM 1642 CA ASP A 101 5.406 14.545 -1.655 1.00 0.00 C ATOM 1643 C ASP A 101 4.434 15.264 -2.585 1.00 0.00 C ATOM 1644 O ASP A 101 4.722 15.466 -3.765 1.00 0.00 O ATOM 1645 CB ASP A 101 6.531 15.494 -1.239 1.00 0.00 C ATOM 1646 CG ASP A 101 6.020 16.878 -0.887 1.00 0.00 C ATOM 1647 OD1 ASP A 101 5.468 17.041 0.221 1.00 0.00 O ATOM 1648 OD2 ASP A 101 6.171 17.796 -1.720 1.00 0.00 O ATOM 0 H ASP A 101 6.479 13.545 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 101 4.862 14.228 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.057 15.075 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.255 15.572 -2.050 1.00 0.00 H new ATOM 1791 N PRO A 110 9.117 11.834 -7.217 1.00 0.00 N ATOM 1792 CA PRO A 110 9.218 10.667 -6.335 1.00 0.00 C ATOM 1793 C PRO A 110 10.487 10.687 -5.490 1.00 0.00 C ATOM 1794 O PRO A 110 11.590 10.846 -6.013 1.00 0.00 O ATOM 1795 CB PRO A 110 9.243 9.487 -7.309 1.00 0.00 C ATOM 1796 CG PRO A 110 9.778 10.054 -8.578 1.00 0.00 C ATOM 1797 CD PRO A 110 9.289 11.475 -8.635 1.00 0.00 C ATOM 0 HA PRO A 110 8.399 10.627 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.876 8.681 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.246 9.070 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.867 10.015 -8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.426 9.485 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.008 12.128 -9.130 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.352 11.556 -9.186 1.00 0.00 H new ATOM 1805 N ILE A 111 10.324 10.526 -4.181 1.00 0.00 N ATOM 1806 CA ILE A 111 11.457 10.524 -3.265 1.00 0.00 C ATOM 1807 C ILE A 111 12.106 9.145 -3.196 1.00 0.00 C ATOM 1808 O ILE A 111 13.319 9.010 -3.349 1.00 0.00 O ATOM 1809 CB ILE A 111 11.035 10.952 -1.846 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.135 12.187 -1.910 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.262 11.226 -0.989 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.574 12.595 -0.566 1.00 0.00 C ATOM 0 H ILE A 111 9.418 10.395 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 111 12.178 11.243 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 111 10.472 10.139 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.703 13.019 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.310 11.990 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 111 11.948 11.527 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.868 10.323 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 111 12.850 12.025 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 111 8.946 13.477 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.979 11.779 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.393 12.824 0.116 1.00 0.00 H new ATOM 1824 N GLY A 112 11.288 8.123 -2.966 1.00 0.00 N ATOM 1825 CA GLY A 112 11.800 6.767 -2.882 1.00 0.00 C ATOM 1826 C GLY A 112 10.714 5.725 -3.062 1.00 0.00 C ATOM 1827 O GLY A 112 9.526 6.039 -2.990 1.00 0.00 O ATOM 0 H GLY A 112 10.280 8.209 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.567 6.624 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.281 6.623 -1.914 1.00 0.00 H new ATOM 1831 N GLU A 113 11.122 4.482 -3.299 1.00 0.00 N ATOM 1832 CA GLU A 113 10.173 3.392 -3.492 1.00 0.00 C ATOM 1833 C GLU A 113 10.784 2.059 -3.069 1.00 0.00 C ATOM 1834 O GLU A 113 11.996 1.948 -2.887 1.00 0.00 O ATOM 1835 CB GLU A 113 9.733 3.322 -4.956 1.00 0.00 C ATOM 1836 CG GLU A 113 10.885 3.136 -5.930 1.00 0.00 C ATOM 1837 CD GLU A 113 11.320 1.688 -6.049 1.00 0.00 C ATOM 1838 OE1 GLU A 113 10.438 0.804 -6.064 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.541 1.439 -6.128 1.00 0.00 O ATOM 0 H GLU A 113 12.102 4.205 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 113 9.301 3.588 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 113 9.030 2.498 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.198 4.237 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.589 3.504 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.732 3.740 -5.605 1.00 0.00 H new ATOM 1846 N VAL A 114 9.934 1.048 -2.914 1.00 0.00 N ATOM 1847 CA VAL A 114 10.388 -0.278 -2.514 1.00 0.00 C ATOM 1848 C VAL A 114 9.608 -1.369 -3.239 1.00 0.00 C ATOM 1849 O VAL A 114 8.398 -1.255 -3.434 1.00 0.00 O ATOM 1850 CB VAL A 114 10.246 -0.485 -0.994 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.166 -1.599 -0.518 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.537 0.811 -0.251 1.00 0.00 C ATOM 0 H VAL A 114 8.927 1.123 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 114 11.441 -0.347 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 114 9.218 -0.778 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.052 -1.730 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.907 -2.527 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.200 -1.338 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.432 0.647 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.554 1.136 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.834 1.580 -0.571 1.00 0.00 H new ATOM 1862 N SER A 115 10.309 -2.426 -3.635 1.00 0.00 N ATOM 1863 CA SER A 115 9.682 -3.537 -4.342 1.00 0.00 C ATOM 1864 C SER A 115 9.937 -4.855 -3.617 1.00 0.00 C ATOM 1865 O SER A 115 11.052 -5.378 -3.630 1.00 0.00 O ATOM 1866 CB SER A 115 10.211 -3.620 -5.776 1.00 0.00 C ATOM 1867 OG SER A 115 11.587 -3.958 -5.793 1.00 0.00 O ATOM 0 H SER A 115 11.311 -2.537 -3.479 1.00 0.00 H new ATOM 0 HA SER A 115 8.607 -3.359 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.643 -4.365 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.062 -2.664 -6.278 1.00 0.00 H new ATOM 0 HG SER A 115 11.801 -4.497 -5.003 1.00 0.00 H new ATOM 1873 N ILE A 116 8.895 -5.386 -2.986 1.00 0.00 N ATOM 1874 CA ILE A 116 9.005 -6.644 -2.256 1.00 0.00 C ATOM 1875 C ILE A 116 7.903 -7.614 -2.665 1.00 0.00 C ATOM 1876 O ILE A 116 6.712 -7.325 -2.548 1.00 0.00 O ATOM 1877 CB ILE A 116 8.937 -6.419 -0.734 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.187 -5.681 -0.249 1.00 0.00 C ATOM 1879 CG2 ILE A 116 8.785 -7.747 -0.009 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.065 -5.148 1.161 1.00 0.00 C ATOM 0 H ILE A 116 7.966 -4.966 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 116 9.975 -7.072 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 116 8.065 -5.804 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.041 -6.357 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.395 -4.852 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.738 -7.572 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.868 -8.238 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.639 -8.385 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.987 -4.637 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.232 -4.447 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.888 -5.975 1.849 1.00 0.00 H new ATOM 1892 N PRO A 117 8.307 -8.796 -3.155 1.00 0.00 N ATOM 1893 CA PRO A 117 7.368 -9.835 -3.589 1.00 0.00 C ATOM 1894 C PRO A 117 6.620 -10.466 -2.420 1.00 0.00 C ATOM 1895 O PRO A 117 7.220 -10.826 -1.407 1.00 0.00 O ATOM 1896 CB PRO A 117 8.273 -10.869 -4.265 1.00 0.00 C ATOM 1897 CG PRO A 117 9.608 -10.676 -3.633 1.00 0.00 C ATOM 1898 CD PRO A 117 9.710 -9.208 -3.323 1.00 0.00 C ATOM 0 HA PRO A 117 6.591 -9.436 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.903 -11.882 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.319 -10.711 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.701 -11.274 -2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.407 -10.990 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.293 -9.028 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.196 -8.660 -4.130 1.00 0.00 H new ATOM 1906 N LEU A 118 5.306 -10.596 -2.566 1.00 0.00 N ATOM 1907 CA LEU A 118 4.474 -11.184 -1.521 1.00 0.00 C ATOM 1908 C LEU A 118 4.708 -12.688 -1.422 1.00 0.00 C ATOM 1909 O LEU A 118 4.220 -13.342 -0.501 1.00 0.00 O ATOM 1910 CB LEU A 118 2.997 -10.903 -1.800 1.00 0.00 C ATOM 1911 CG LEU A 118 2.556 -9.443 -1.677 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.262 -9.211 -2.440 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.392 -9.057 -0.214 1.00 0.00 C ATOM 0 H LEU A 118 4.793 -10.302 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 118 4.751 -10.728 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.766 -11.248 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.398 -11.502 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 118 3.329 -8.811 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.964 -8.167 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.413 -9.447 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.480 -9.852 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.078 -8.015 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.638 -9.694 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.342 -9.184 0.305 1.00 0.00 H new ATOM 1925 N ASN A 119 5.458 -13.230 -2.375 1.00 0.00 N ATOM 1926 CA ASN A 119 5.758 -14.657 -2.394 1.00 0.00 C ATOM 1927 C ASN A 119 6.909 -14.983 -1.447 1.00 0.00 C ATOM 1928 O ASN A 119 7.032 -16.110 -0.967 1.00 0.00 O ATOM 1929 CB ASN A 119 6.107 -15.107 -3.814 1.00 0.00 C ATOM 1930 CG ASN A 119 7.588 -14.978 -4.114 1.00 0.00 C ATOM 1931 OD1 ASN A 119 8.392 -15.844 -3.509 1.00 0.00 O flip ATOM 1932 ND2 ASN A 119 8.004 -14.109 -4.881 1.00 0.00 N flip ATOM 0 H ASN A 119 5.870 -12.703 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 119 4.871 -15.194 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.801 -16.144 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.541 -14.512 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.350 -13.464 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 119 9.003 -14.034 -5.073 1.00 0.00 H new ATOM 1939 N LYS A 120 7.750 -13.989 -1.182 1.00 0.00 N ATOM 1940 CA LYS A 120 8.890 -14.168 -0.292 1.00 0.00 C ATOM 1941 C LYS A 120 8.490 -13.928 1.160 1.00 0.00 C ATOM 1942 O LYS A 120 8.852 -14.697 2.050 1.00 0.00 O ATOM 1943 CB LYS A 120 10.024 -13.218 -0.684 1.00 0.00 C ATOM 1944 CG LYS A 120 10.782 -13.654 -1.925 1.00 0.00 C ATOM 1945 CD LYS A 120 11.705 -14.825 -1.632 1.00 0.00 C ATOM 1946 CE LYS A 120 12.771 -14.977 -2.706 1.00 0.00 C ATOM 1947 NZ LYS A 120 13.897 -14.022 -2.509 1.00 0.00 N ATOM 0 H LYS A 120 7.663 -13.050 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 120 9.237 -15.197 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.611 -12.223 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.723 -13.137 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.074 -13.934 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.365 -12.817 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.182 -14.680 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.120 -15.743 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.154 -15.997 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.324 -14.814 -3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.602 -14.157 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.536 -13.047 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.340 -14.194 -1.584 1.00 0.00 H new ATOM 1961 N VAL A 121 7.739 -12.855 1.392 1.00 0.00 N ATOM 1962 CA VAL A 121 7.287 -12.515 2.736 1.00 0.00 C ATOM 1963 C VAL A 121 6.333 -13.572 3.279 1.00 0.00 C ATOM 1964 O VAL A 121 5.384 -13.972 2.605 1.00 0.00 O ATOM 1965 CB VAL A 121 6.585 -11.144 2.762 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.436 -11.114 1.766 1.00 0.00 C ATOM 1967 CG2 VAL A 121 6.094 -10.824 4.165 1.00 0.00 C ATOM 0 H VAL A 121 7.431 -12.207 0.667 1.00 0.00 H new ATOM 0 HA VAL A 121 8.175 -12.473 3.367 1.00 0.00 H new ATOM 0 HB VAL A 121 7.306 -10.380 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.952 -10.138 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.820 -11.296 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.712 -11.887 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.601 -9.852 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.388 -11.589 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.941 -10.801 4.851 1.00 0.00 H new ATOM 1977 N ASP A 122 6.591 -14.022 4.503 1.00 0.00 N ATOM 1978 CA ASP A 122 5.754 -15.033 5.138 1.00 0.00 C ATOM 1979 C ASP A 122 4.345 -14.500 5.376 1.00 0.00 C ATOM 1980 O ASP A 122 3.998 -14.106 6.490 1.00 0.00 O ATOM 1981 CB ASP A 122 6.374 -15.479 6.463 1.00 0.00 C ATOM 1982 CG ASP A 122 7.409 -16.572 6.280 1.00 0.00 C ATOM 1983 OD1 ASP A 122 7.079 -17.602 5.656 1.00 0.00 O ATOM 1984 OD2 ASP A 122 8.549 -16.397 6.760 1.00 0.00 O ATOM 0 H ASP A 122 7.373 -13.702 5.075 1.00 0.00 H new ATOM 0 HA ASP A 122 5.691 -15.890 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.838 -14.621 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.587 -15.836 7.127 1.00 0.00 H new ATOM 1989 N LEU A 123 3.536 -14.491 4.322 1.00 0.00 N ATOM 1990 CA LEU A 123 2.164 -14.005 4.414 1.00 0.00 C ATOM 1991 C LEU A 123 1.385 -14.773 5.478 1.00 0.00 C ATOM 1992 O LEU A 123 0.474 -14.234 6.108 1.00 0.00 O ATOM 1993 CB LEU A 123 1.463 -14.135 3.061 1.00 0.00 C ATOM 1994 CG LEU A 123 1.832 -13.085 2.011 1.00 0.00 C ATOM 1995 CD1 LEU A 123 1.110 -13.363 0.702 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.505 -11.688 2.517 1.00 0.00 C ATOM 0 H LEU A 123 3.807 -14.815 3.394 1.00 0.00 H new ATOM 0 HA LEU A 123 2.196 -12.954 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.684 -15.121 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.386 -14.092 3.226 1.00 0.00 H new ATOM 0 HG LEU A 123 2.905 -13.142 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.385 -12.606 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.394 -14.348 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.033 -13.334 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.774 -10.954 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.438 -11.618 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.069 -11.490 3.429 1.00 0.00 H new ATOM 2008 N THR A 124 1.751 -16.036 5.675 1.00 0.00 N ATOM 2009 CA THR A 124 1.088 -16.878 6.663 1.00 0.00 C ATOM 2010 C THR A 124 0.747 -16.087 7.920 1.00 0.00 C ATOM 2011 O THR A 124 -0.254 -16.358 8.582 1.00 0.00 O ATOM 2012 CB THR A 124 1.964 -18.084 7.051 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.199 -17.631 7.618 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.248 -18.959 5.840 1.00 0.00 C ATOM 0 H THR A 124 2.503 -16.498 5.163 1.00 0.00 H new ATOM 0 HA THR A 124 0.168 -17.239 6.204 1.00 0.00 H new ATOM 0 HB THR A 124 1.421 -18.676 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.749 -18.404 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.868 -19.804 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.308 -19.327 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.772 -18.374 5.084 1.00 0.00 H new ATOM 2022 N GLN A 125 1.586 -15.107 8.243 1.00 0.00 N ATOM 2023 CA GLN A 125 1.372 -14.276 9.422 1.00 0.00 C ATOM 2024 C GLN A 125 1.882 -12.858 9.189 1.00 0.00 C ATOM 2025 O GLN A 125 2.654 -12.611 8.263 1.00 0.00 O ATOM 2026 CB GLN A 125 2.070 -14.889 10.637 1.00 0.00 C ATOM 2027 CG GLN A 125 3.582 -14.961 10.498 1.00 0.00 C ATOM 2028 CD GLN A 125 4.237 -15.723 11.632 1.00 0.00 C ATOM 2029 OE1 GLN A 125 4.660 -15.002 12.664 1.00 0.00 O flip ATOM 2030 NE2 GLN A 125 4.363 -16.947 11.582 1.00 0.00 N flip ATOM 0 H GLN A 125 2.419 -14.870 7.705 1.00 0.00 H new ATOM 0 HA GLN A 125 0.300 -14.229 9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.822 -14.303 11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.680 -15.894 10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.834 -15.439 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.988 -13.950 10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.023 -17.462 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.807 -17.446 12.353 1.00 0.00 H new ATOM 2039 N MET A 126 1.444 -11.930 10.034 1.00 0.00 N ATOM 2040 CA MET A 126 1.858 -10.537 9.919 1.00 0.00 C ATOM 2041 C MET A 126 3.323 -10.371 10.309 1.00 0.00 C ATOM 2042 O MET A 126 3.736 -10.784 11.393 1.00 0.00 O ATOM 2043 CB MET A 126 0.979 -9.648 10.801 1.00 0.00 C ATOM 2044 CG MET A 126 1.318 -8.169 10.703 1.00 0.00 C ATOM 2045 SD MET A 126 -0.065 -7.107 11.163 1.00 0.00 S ATOM 2046 CE MET A 126 -0.804 -6.800 9.561 1.00 0.00 C ATOM 0 H MET A 126 0.803 -12.118 10.805 1.00 0.00 H new ATOM 0 HA MET A 126 1.741 -10.234 8.879 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.065 -9.792 10.522 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.079 -9.967 11.838 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.168 -7.952 11.349 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.625 -7.937 9.683 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.202 -5.786 9.532 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.049 -6.916 8.784 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.612 -7.512 9.391 1.00 0.00 H new ATOM 2056 N GLN A 127 4.102 -9.764 9.420 1.00 0.00 N ATOM 2057 CA GLN A 127 5.522 -9.545 9.673 1.00 0.00 C ATOM 2058 C GLN A 127 5.939 -8.139 9.254 1.00 0.00 C ATOM 2059 O GLN A 127 5.728 -7.731 8.111 1.00 0.00 O ATOM 2060 CB GLN A 127 6.361 -10.583 8.924 1.00 0.00 C ATOM 2061 CG GLN A 127 5.852 -12.006 9.085 1.00 0.00 C ATOM 2062 CD GLN A 127 6.338 -12.659 10.364 1.00 0.00 C ATOM 2063 OE1 GLN A 127 6.251 -13.982 10.424 1.00 0.00 O flip ATOM 2064 NE2 GLN A 127 6.787 -11.981 11.289 1.00 0.00 N flip ATOM 0 H GLN A 127 3.775 -9.415 8.519 1.00 0.00 H new ATOM 0 HA GLN A 127 5.695 -9.652 10.744 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.377 -10.329 7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.390 -10.531 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.762 -12.001 9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.175 -12.602 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.836 -10.966 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.110 -12.434 12.144 1.00 0.00 H new ATOM 2073 N THR A 128 6.532 -7.400 10.187 1.00 0.00 N ATOM 2074 CA THR A 128 6.977 -6.039 9.915 1.00 0.00 C ATOM 2075 C THR A 128 8.293 -6.035 9.146 1.00 0.00 C ATOM 2076 O THR A 128 9.188 -6.833 9.423 1.00 0.00 O ATOM 2077 CB THR A 128 7.154 -5.236 11.218 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.062 -5.497 12.106 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.232 -3.745 10.927 1.00 0.00 C ATOM 0 H THR A 128 6.715 -7.722 11.138 1.00 0.00 H new ATOM 0 HA THR A 128 6.204 -5.568 9.308 1.00 0.00 H new ATOM 0 HB THR A 128 8.087 -5.548 11.688 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.183 -4.984 12.932 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.357 -3.198 11.861 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.081 -3.546 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.314 -3.421 10.437 1.00 0.00 H new ATOM 2087 N PHE A 129 8.404 -5.130 8.179 1.00 0.00 N ATOM 2088 CA PHE A 129 9.612 -5.021 7.369 1.00 0.00 C ATOM 2089 C PHE A 129 10.153 -3.595 7.388 1.00 0.00 C ATOM 2090 O PHE A 129 9.396 -2.631 7.272 1.00 0.00 O ATOM 2091 CB PHE A 129 9.326 -5.451 5.929 1.00 0.00 C ATOM 2092 CG PHE A 129 9.152 -6.935 5.769 1.00 0.00 C ATOM 2093 CD1 PHE A 129 7.945 -7.541 6.078 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.195 -7.723 5.311 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.781 -8.906 5.932 1.00 0.00 C ATOM 2096 CE2 PHE A 129 10.038 -9.088 5.163 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.830 -9.680 5.475 1.00 0.00 C ATOM 0 H PHE A 129 7.672 -4.462 7.937 1.00 0.00 H new ATOM 0 HA PHE A 129 10.366 -5.682 7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.424 -4.948 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.144 -5.118 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.123 -6.940 6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.142 -7.265 5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.835 -9.366 6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.859 -9.691 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.706 -10.747 5.362 1.00 0.00 H new ATOM 2107 N TRP A 130 11.467 -3.469 7.534 1.00 0.00 N ATOM 2108 CA TRP A 130 12.110 -2.161 7.569 1.00 0.00 C ATOM 2109 C TRP A 130 13.127 -2.024 6.442 1.00 0.00 C ATOM 2110 O TRP A 130 14.201 -2.624 6.484 1.00 0.00 O ATOM 2111 CB TRP A 130 12.795 -1.942 8.919 1.00 0.00 C ATOM 2112 CG TRP A 130 11.861 -1.460 9.988 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.159 -2.229 10.871 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.526 -0.099 10.283 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.408 -1.429 11.698 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.616 -0.119 11.358 1.00 0.00 C ATOM 2117 CE3 TRP A 130 11.907 1.133 9.746 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.083 1.047 11.903 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.377 2.288 10.287 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.474 2.239 11.357 1.00 0.00 C ATOM 0 H TRP A 130 12.108 -4.257 7.630 1.00 0.00 H new ATOM 0 HA TRP A 130 11.340 -1.402 7.433 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.253 -2.877 9.242 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.600 -1.218 8.796 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.189 -3.308 10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.795 -1.758 12.444 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.604 1.181 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.386 1.011 12.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.664 3.246 9.878 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.079 3.160 11.759 1.00 0.00 H new ATOM 2131 N LYS A 131 12.783 -1.230 5.433 1.00 0.00 N ATOM 2132 CA LYS A 131 13.666 -1.013 4.294 1.00 0.00 C ATOM 2133 C LYS A 131 13.867 0.477 4.037 1.00 0.00 C ATOM 2134 O LYS A 131 13.013 1.296 4.378 1.00 0.00 O ATOM 2135 CB LYS A 131 13.094 -1.684 3.043 1.00 0.00 C ATOM 2136 CG LYS A 131 12.641 -3.115 3.274 1.00 0.00 C ATOM 2137 CD LYS A 131 13.788 -4.097 3.109 1.00 0.00 C ATOM 2138 CE LYS A 131 13.284 -5.497 2.792 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.252 -6.545 3.217 1.00 0.00 N ATOM 0 H LYS A 131 11.898 -0.726 5.382 1.00 0.00 H new ATOM 0 HA LYS A 131 14.634 -1.458 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.249 -1.098 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.850 -1.673 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.223 -3.208 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.845 -3.363 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.447 -3.757 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.381 -4.121 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.329 -5.661 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.102 -5.584 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.871 -7.484 2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.156 -6.404 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.406 -6.479 4.243 1.00 0.00 H new ATOM 2153 N ASP A 132 15.000 0.821 3.434 1.00 0.00 N ATOM 2154 CA ASP A 132 15.312 2.213 3.130 1.00 0.00 C ATOM 2155 C ASP A 132 14.810 2.591 1.740 1.00 0.00 C ATOM 2156 O ASP A 132 15.349 2.138 0.729 1.00 0.00 O ATOM 2157 CB ASP A 132 16.819 2.453 3.224 1.00 0.00 C ATOM 2158 CG ASP A 132 17.328 2.389 4.651 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.521 1.266 5.163 1.00 0.00 O ATOM 2160 OD2 ASP A 132 17.533 3.462 5.256 1.00 0.00 O ATOM 0 H ASP A 132 15.717 0.155 3.146 1.00 0.00 H new ATOM 0 HA ASP A 132 14.806 2.841 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.341 1.709 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.056 3.429 2.800 1.00 0.00 H new ATOM 2165 N LEU A 133 13.775 3.422 1.696 1.00 0.00 N ATOM 2166 CA LEU A 133 13.199 3.860 0.429 1.00 0.00 C ATOM 2167 C LEU A 133 14.283 4.043 -0.628 1.00 0.00 C ATOM 2168 O LEU A 133 15.048 5.007 -0.589 1.00 0.00 O ATOM 2169 CB LEU A 133 12.432 5.170 0.621 1.00 0.00 C ATOM 2170 CG LEU A 133 11.316 5.148 1.666 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.110 6.534 2.257 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.023 4.629 1.054 1.00 0.00 C ATOM 0 H LEU A 133 13.317 3.806 2.523 1.00 0.00 H new ATOM 0 HA LEU A 133 12.509 3.089 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.144 5.948 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.999 5.458 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 133 11.610 4.473 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.312 6.498 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 133 12.032 6.868 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.838 7.231 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.240 4.620 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 133 9.724 5.278 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.178 3.617 0.680 1.00 0.00 H new ATOM 2184 N LYS A 134 14.343 3.112 -1.573 1.00 0.00 N ATOM 2185 CA LYS A 134 15.331 3.170 -2.644 1.00 0.00 C ATOM 2186 C LYS A 134 15.205 4.472 -3.430 1.00 0.00 C ATOM 2187 O LYS A 134 14.155 5.115 -3.448 1.00 0.00 O ATOM 2188 CB LYS A 134 15.163 1.976 -3.587 1.00 0.00 C ATOM 2189 CG LYS A 134 15.728 0.680 -3.032 1.00 0.00 C ATOM 2190 CD LYS A 134 17.244 0.645 -3.131 1.00 0.00 C ATOM 2191 CE LYS A 134 17.703 0.095 -4.472 1.00 0.00 C ATOM 2192 NZ LYS A 134 19.182 0.169 -4.626 1.00 0.00 N ATOM 0 H LYS A 134 13.718 2.307 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 134 16.322 3.132 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.103 1.839 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.653 2.200 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.428 0.568 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.307 -0.165 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.642 1.650 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.648 0.030 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 134 17.379 -0.941 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 134 17.226 0.655 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.454 -0.216 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 19.489 1.160 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 19.638 -0.386 -3.874 1.00 0.00 H new ATOM 2206 N PRO A 135 16.300 4.870 -4.095 1.00 0.00 N ATOM 2207 CA PRO A 135 16.336 6.098 -4.896 1.00 0.00 C ATOM 2208 C PRO A 135 15.488 5.992 -6.158 1.00 0.00 C ATOM 2209 O PRO A 135 15.967 5.556 -7.205 1.00 0.00 O ATOM 2210 CB PRO A 135 17.817 6.242 -5.257 1.00 0.00 C ATOM 2211 CG PRO A 135 18.357 4.854 -5.201 1.00 0.00 C ATOM 2212 CD PRO A 135 17.586 4.153 -4.117 1.00 0.00 C ATOM 0 HA PRO A 135 15.930 6.951 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.942 6.676 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.334 6.897 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.232 4.348 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.424 4.859 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.452 3.094 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.097 4.215 -3.156 1.00 0.00 H new ATOM 2220 N SER A 136 14.225 6.393 -6.053 1.00 0.00 N ATOM 2221 CA SER A 136 13.309 6.339 -7.186 1.00 0.00 C ATOM 2222 C SER A 136 13.752 7.296 -8.289 1.00 0.00 C ATOM 2223 O SER A 136 13.977 8.480 -8.045 1.00 0.00 O ATOM 2224 CB SER A 136 11.888 6.685 -6.736 1.00 0.00 C ATOM 2225 OG SER A 136 11.847 7.954 -6.107 1.00 0.00 O ATOM 0 H SER A 136 13.813 6.759 -5.195 1.00 0.00 H new ATOM 0 HA SER A 136 13.320 5.324 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.219 6.681 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.526 5.922 -6.047 1.00 0.00 H new ATOM 0 HG SER A 136 12.504 8.548 -6.526 1.00 0.00 H new