USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 739 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 109 THR OG1 : rot 180:sc= -0.0826 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -14.7! C(o=-15!,f=-15!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.79! K(o=-4.3!,f=-2.4) USER MOD Set 2.2: A 72 SER OG : rot -173:sc= -1.5! USER MOD Single : A 7 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 170:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-8.8!) USER MOD Single : A 18 GLN : amide:sc=-0.00392 X(o=-0.0039,f=-0.0039) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.296) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= -1.48! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 73:sc= -2.91! USER MOD Single : A 68 SER OG : rot -2:sc= -4.52! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.292 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00922 USER MOD Single : A 86 GLN : amide:sc= -1.47! C(o=-1.5!,f=-3.3!) USER MOD Single : A 87 MET CE :methyl -160:sc= -7.13! (180deg=-8.65!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 117:sc= 0.811 USER MOD Single : A 96 TYR OH : rot 30:sc=-0.00239 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 57:sc= 0.903 USER MOD Single : A 111 SER OG : rot 107:sc= 0.491 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.888 4.946 1.785 1.00 0.00 N ATOM 93 CA GLN A 7 17.473 5.275 2.130 1.00 0.00 C ATOM 94 C GLN A 7 16.550 4.155 1.644 1.00 0.00 C ATOM 95 O GLN A 7 16.992 3.200 1.035 1.00 0.00 O ATOM 96 CB GLN A 7 17.175 6.579 1.388 1.00 0.00 C ATOM 97 CG GLN A 7 16.624 7.609 2.375 1.00 0.00 C ATOM 98 CD GLN A 7 17.775 8.215 3.180 1.00 0.00 C ATOM 99 OE1 GLN A 7 18.550 7.502 3.784 1.00 0.00 O ATOM 100 NE2 GLN A 7 17.920 9.512 3.213 1.00 0.00 N ATOM 0 HA GLN A 7 17.317 5.378 3.204 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.082 6.958 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.453 6.400 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.090 8.393 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.906 7.137 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.269 10.111 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.684 9.926 3.746 1.00 0.00 H new ATOM 109 N VAL A 8 15.275 4.252 1.907 1.00 0.00 N ATOM 110 CA VAL A 8 14.348 3.175 1.453 1.00 0.00 C ATOM 111 C VAL A 8 13.333 3.712 0.440 1.00 0.00 C ATOM 112 O VAL A 8 12.320 4.278 0.802 1.00 0.00 O ATOM 113 CB VAL A 8 13.636 2.693 2.721 1.00 0.00 C ATOM 114 CG1 VAL A 8 13.202 3.894 3.557 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.397 1.879 2.339 1.00 0.00 C ATOM 0 H VAL A 8 14.838 5.023 2.412 1.00 0.00 H new ATOM 0 HA VAL A 8 14.886 2.369 0.953 1.00 0.00 H new ATOM 0 HB VAL A 8 14.321 2.072 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.696 3.547 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.078 4.479 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.521 4.515 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.893 1.538 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.717 2.502 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.697 1.017 1.744 1.00 0.00 H new ATOM 125 N LYS A 9 13.580 3.513 -0.826 1.00 0.00 N ATOM 126 CA LYS A 9 12.606 3.981 -1.851 1.00 0.00 C ATOM 127 C LYS A 9 11.455 2.979 -1.910 1.00 0.00 C ATOM 128 O LYS A 9 11.581 1.868 -1.435 1.00 0.00 O ATOM 129 CB LYS A 9 13.368 3.989 -3.173 1.00 0.00 C ATOM 130 CG LYS A 9 14.397 5.116 -3.171 1.00 0.00 C ATOM 131 CD LYS A 9 14.449 5.753 -4.562 1.00 0.00 C ATOM 132 CE LYS A 9 15.350 6.989 -4.530 1.00 0.00 C ATOM 133 NZ LYS A 9 16.491 6.664 -5.432 1.00 0.00 N ATOM 0 H LYS A 9 14.411 3.049 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 9 12.198 4.967 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.865 3.031 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.673 4.120 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.132 5.865 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.379 4.728 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.828 5.034 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.445 6.031 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.816 7.875 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.696 7.198 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.151 7.467 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.986 5.821 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.133 6.477 -6.390 1.00 0.00 H new ATOM 147 N ALA A 10 10.335 3.332 -2.479 1.00 0.00 N ATOM 148 CA ALA A 10 9.226 2.331 -2.522 1.00 0.00 C ATOM 149 C ALA A 10 7.942 2.891 -3.135 1.00 0.00 C ATOM 150 O ALA A 10 7.788 4.077 -3.347 1.00 0.00 O ATOM 151 CB ALA A 10 8.975 1.968 -1.058 1.00 0.00 C ATOM 0 H ALA A 10 10.140 4.239 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 10 9.505 1.481 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.171 1.234 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.883 1.548 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.691 2.863 -0.505 1.00 0.00 H new ATOM 157 N SER A 11 7.009 2.011 -3.387 1.00 0.00 N ATOM 158 CA SER A 11 5.693 2.415 -3.952 1.00 0.00 C ATOM 159 C SER A 11 4.608 1.698 -3.155 1.00 0.00 C ATOM 160 O SER A 11 4.919 0.951 -2.252 1.00 0.00 O ATOM 161 CB SER A 11 5.709 1.935 -5.403 1.00 0.00 C ATOM 162 OG SER A 11 5.156 0.626 -5.470 1.00 0.00 O ATOM 0 H SER A 11 7.109 1.010 -3.221 1.00 0.00 H new ATOM 0 HA SER A 11 5.506 3.488 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.135 2.617 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.730 1.931 -5.786 1.00 0.00 H new ATOM 0 HG SER A 11 5.015 0.378 -6.408 1.00 0.00 H new ATOM 168 N HIS A 12 3.347 1.889 -3.449 1.00 0.00 N ATOM 169 CA HIS A 12 2.336 1.154 -2.622 1.00 0.00 C ATOM 170 C HIS A 12 0.892 1.350 -3.097 1.00 0.00 C ATOM 171 O HIS A 12 0.586 2.201 -3.909 1.00 0.00 O ATOM 172 CB HIS A 12 2.499 1.726 -1.212 1.00 0.00 C ATOM 173 CG HIS A 12 1.864 3.088 -1.142 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.497 3.669 0.060 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.526 3.994 -2.116 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.965 4.873 -0.218 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.958 5.121 -1.531 1.00 0.00 N ATOM 0 H HIS A 12 2.983 2.491 -4.188 1.00 0.00 H new ATOM 0 HA HIS A 12 2.510 0.080 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.036 1.060 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.556 1.793 -0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.609 3.259 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.678 3.853 -3.176 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.589 5.556 0.529 1.00 0.00 H new ATOM 185 N ILE A 13 0.003 0.556 -2.549 1.00 0.00 N ATOM 186 CA ILE A 13 -1.448 0.650 -2.891 1.00 0.00 C ATOM 187 C ILE A 13 -2.265 0.560 -1.591 1.00 0.00 C ATOM 188 O ILE A 13 -1.722 0.297 -0.535 1.00 0.00 O ATOM 189 CB ILE A 13 -1.725 -0.550 -3.804 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.152 -0.267 -5.198 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.235 -0.783 -3.908 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.817 -1.179 -6.235 1.00 0.00 C ATOM 0 H ILE A 13 0.229 -0.167 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.716 1.584 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.254 -1.440 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.316 0.778 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.074 -0.430 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.428 -1.637 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.641 -0.983 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.712 0.104 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.403 -0.970 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.630 -2.221 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.891 -0.995 -6.246 1.00 0.00 H new ATOM 204 N LEU A 14 -3.555 0.778 -1.646 1.00 0.00 N ATOM 205 CA LEU A 14 -4.372 0.704 -0.392 1.00 0.00 C ATOM 206 C LEU A 14 -5.715 0.010 -0.645 1.00 0.00 C ATOM 207 O LEU A 14 -6.429 0.332 -1.570 1.00 0.00 O ATOM 208 CB LEU A 14 -4.611 2.159 0.022 1.00 0.00 C ATOM 209 CG LEU A 14 -5.611 2.200 1.182 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.868 1.981 2.500 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.324 3.558 1.207 1.00 0.00 C ATOM 0 H LEU A 14 -4.075 1.002 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.859 0.128 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.671 2.623 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.994 2.731 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.353 1.413 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.578 2.010 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.372 1.011 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.124 2.766 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.034 3.581 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.589 4.352 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.856 3.707 0.268 1.00 0.00 H new ATOM 223 N ILE A 15 -6.074 -0.924 0.192 1.00 0.00 N ATOM 224 CA ILE A 15 -7.380 -1.622 0.015 1.00 0.00 C ATOM 225 C ILE A 15 -8.317 -1.286 1.179 1.00 0.00 C ATOM 226 O ILE A 15 -7.881 -1.006 2.279 1.00 0.00 O ATOM 227 CB ILE A 15 -7.040 -3.113 0.014 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.295 -3.457 -1.280 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.331 -3.936 0.099 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.289 -4.973 -1.489 1.00 0.00 C ATOM 0 H ILE A 15 -5.520 -1.234 0.991 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.888 -1.322 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.410 -3.346 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.774 -2.966 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.272 -3.084 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.086 -4.998 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.862 -3.687 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.964 -3.709 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.758 -5.211 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.790 -5.454 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.315 -5.335 -1.558 1.00 0.00 H new ATOM 242 N LYS A 16 -9.601 -1.318 0.947 1.00 0.00 N ATOM 243 CA LYS A 16 -10.566 -1.007 2.042 1.00 0.00 C ATOM 244 C LYS A 16 -10.616 -2.168 3.039 1.00 0.00 C ATOM 245 O LYS A 16 -10.156 -3.257 2.758 1.00 0.00 O ATOM 246 CB LYS A 16 -11.917 -0.837 1.345 1.00 0.00 C ATOM 247 CG LYS A 16 -12.291 -2.134 0.623 1.00 0.00 C ATOM 248 CD LYS A 16 -12.315 -1.889 -0.888 1.00 0.00 C ATOM 249 CE LYS A 16 -13.199 -2.938 -1.565 1.00 0.00 C ATOM 250 NZ LYS A 16 -12.463 -3.322 -2.803 1.00 0.00 N ATOM 0 H LYS A 16 -10.024 -1.546 0.047 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.285 -0.115 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.685 -0.582 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.869 -0.014 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.572 -2.917 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.267 -2.482 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.694 -0.889 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.303 -1.937 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.356 -3.800 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.183 -2.532 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.008 -4.040 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.334 -2.483 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.533 -3.711 -2.547 1.00 0.00 H new ATOM 264 N HIS A 17 -11.170 -1.948 4.202 1.00 0.00 N ATOM 265 CA HIS A 17 -11.244 -3.045 5.213 1.00 0.00 C ATOM 266 C HIS A 17 -11.967 -2.567 6.477 1.00 0.00 C ATOM 267 O HIS A 17 -12.657 -1.566 6.471 1.00 0.00 O ATOM 268 CB HIS A 17 -9.789 -3.395 5.534 1.00 0.00 C ATOM 269 CG HIS A 17 -9.170 -2.300 6.360 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.581 -0.977 6.276 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.165 -2.320 7.295 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.832 -0.265 7.138 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.955 -1.035 7.786 1.00 0.00 N ATOM 0 H HIS A 17 -11.574 -1.059 4.496 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.799 -3.904 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.744 -4.340 6.075 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.226 -3.529 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.620 -3.200 7.603 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.929 0.800 7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.277 -0.744 8.490 1.00 0.00 H new ATOM 281 N GLN A 18 -11.810 -3.278 7.561 1.00 0.00 N ATOM 282 CA GLN A 18 -12.483 -2.872 8.829 1.00 0.00 C ATOM 283 C GLN A 18 -11.777 -1.656 9.431 1.00 0.00 C ATOM 284 O GLN A 18 -11.262 -1.706 10.531 1.00 0.00 O ATOM 285 CB GLN A 18 -12.348 -4.080 9.757 1.00 0.00 C ATOM 286 CG GLN A 18 -13.615 -4.935 9.677 1.00 0.00 C ATOM 287 CD GLN A 18 -14.704 -4.322 10.561 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.633 -3.715 10.067 1.00 0.00 O ATOM 289 NE2 GLN A 18 -14.631 -4.459 11.857 1.00 0.00 N ATOM 0 H GLN A 18 -11.244 -4.124 7.623 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.525 -2.594 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.479 -4.673 9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.186 -3.747 10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.961 -4.995 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.400 -5.953 10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.851 -4.969 12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.354 -4.057 12.454 1.00 0.00 H new ATOM 298 N GLY A 19 -11.748 -0.564 8.721 1.00 0.00 N ATOM 299 CA GLY A 19 -11.077 0.653 9.254 1.00 0.00 C ATOM 300 C GLY A 19 -12.064 1.820 9.239 1.00 0.00 C ATOM 301 O GLY A 19 -13.098 1.780 9.875 1.00 0.00 O ATOM 0 H GLY A 19 -12.160 -0.462 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.724 0.473 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.202 0.894 8.651 1.00 0.00 H new ATOM 594 N THR A 37 -14.022 -4.644 3.429 1.00 0.00 N ATOM 595 CA THR A 37 -13.314 -5.877 3.870 1.00 0.00 C ATOM 596 C THR A 37 -13.013 -5.781 5.373 1.00 0.00 C ATOM 597 O THR A 37 -13.315 -4.791 6.010 1.00 0.00 O ATOM 598 CB THR A 37 -12.034 -5.904 3.011 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.151 -6.933 2.039 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.789 -6.164 3.867 1.00 0.00 C ATOM 0 HA THR A 37 -13.891 -6.792 3.739 1.00 0.00 H new ATOM 0 HB THR A 37 -11.922 -4.931 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.341 -6.956 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.905 -6.177 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.688 -5.374 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.887 -7.126 4.370 1.00 0.00 H new ATOM 608 N THR A 38 -12.423 -6.794 5.947 1.00 0.00 N ATOM 609 CA THR A 38 -12.115 -6.738 7.406 1.00 0.00 C ATOM 610 C THR A 38 -10.632 -7.031 7.653 1.00 0.00 C ATOM 611 O THR A 38 -9.881 -7.303 6.738 1.00 0.00 O ATOM 612 CB THR A 38 -12.986 -7.822 8.046 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.491 -9.101 7.680 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.434 -7.676 7.569 1.00 0.00 C ATOM 0 H THR A 38 -12.142 -7.653 5.473 1.00 0.00 H new ATOM 0 HA THR A 38 -12.318 -5.752 7.825 1.00 0.00 H new ATOM 0 HB THR A 38 -12.956 -7.715 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.046 -9.796 8.090 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.048 -8.451 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.814 -6.695 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.472 -7.778 6.484 1.00 0.00 H new ATOM 622 N ARG A 39 -10.206 -6.977 8.889 1.00 0.00 N ATOM 623 CA ARG A 39 -8.772 -7.252 9.201 1.00 0.00 C ATOM 624 C ARG A 39 -8.307 -8.530 8.497 1.00 0.00 C ATOM 625 O ARG A 39 -7.410 -8.505 7.678 1.00 0.00 O ATOM 626 CB ARG A 39 -8.702 -7.410 10.727 1.00 0.00 C ATOM 627 CG ARG A 39 -9.927 -8.172 11.251 1.00 0.00 C ATOM 628 CD ARG A 39 -9.469 -9.463 11.932 1.00 0.00 C ATOM 629 NE ARG A 39 -8.714 -9.016 13.133 1.00 0.00 N ATOM 630 CZ ARG A 39 -9.115 -9.371 14.322 1.00 0.00 C ATOM 631 NH1 ARG A 39 -9.559 -10.581 14.526 1.00 0.00 N ATOM 632 NH2 ARG A 39 -9.072 -8.518 15.308 1.00 0.00 N ATOM 0 H ARG A 39 -10.790 -6.754 9.695 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.121 -6.449 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.792 -7.943 11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.650 -6.428 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.480 -7.552 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.605 -8.402 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.319 -10.086 12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.841 -10.058 11.269 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.884 -8.433 13.027 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.592 -11.249 13.756 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.873 -10.859 15.456 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.724 -7.572 15.149 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.386 -8.797 16.238 1.00 0.00 H new ATOM 646 N GLU A 40 -8.910 -9.642 8.802 1.00 0.00 N ATOM 647 CA GLU A 40 -8.505 -10.913 8.143 1.00 0.00 C ATOM 648 C GLU A 40 -8.755 -10.817 6.637 1.00 0.00 C ATOM 649 O GLU A 40 -7.855 -10.972 5.836 1.00 0.00 O ATOM 650 CB GLU A 40 -9.402 -11.978 8.772 1.00 0.00 C ATOM 651 CG GLU A 40 -8.896 -13.367 8.382 1.00 0.00 C ATOM 652 CD GLU A 40 -7.545 -13.623 9.052 1.00 0.00 C ATOM 653 OE1 GLU A 40 -7.081 -12.743 9.759 1.00 0.00 O ATOM 654 OE2 GLU A 40 -6.997 -14.693 8.848 1.00 0.00 O ATOM 0 H GLU A 40 -9.667 -9.727 9.480 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.447 -11.140 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.405 -11.872 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.431 -11.847 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.615 -14.127 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.797 -13.439 7.299 1.00 0.00 H new ATOM 661 N ALA A 41 -9.972 -10.552 6.248 1.00 0.00 N ATOM 662 CA ALA A 41 -10.281 -10.435 4.795 1.00 0.00 C ATOM 663 C ALA A 41 -9.276 -9.495 4.128 1.00 0.00 C ATOM 664 O ALA A 41 -8.776 -9.763 3.053 1.00 0.00 O ATOM 665 CB ALA A 41 -11.692 -9.850 4.732 1.00 0.00 C ATOM 0 H ALA A 41 -10.765 -10.411 6.873 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.220 -11.392 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.992 -9.734 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.387 -10.521 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.705 -8.877 5.224 1.00 0.00 H new ATOM 671 N ALA A 42 -8.970 -8.399 4.765 1.00 0.00 N ATOM 672 CA ALA A 42 -7.988 -7.444 4.177 1.00 0.00 C ATOM 673 C ALA A 42 -6.689 -8.178 3.858 1.00 0.00 C ATOM 674 O ALA A 42 -6.322 -8.339 2.711 1.00 0.00 O ATOM 675 CB ALA A 42 -7.766 -6.381 5.254 1.00 0.00 C ATOM 0 H ALA A 42 -9.357 -8.123 5.667 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.341 -6.998 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.052 -5.641 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.713 -5.891 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.375 -6.853 6.155 1.00 0.00 H new ATOM 681 N VAL A 43 -5.997 -8.642 4.859 1.00 0.00 N ATOM 682 CA VAL A 43 -4.734 -9.380 4.590 1.00 0.00 C ATOM 683 C VAL A 43 -5.005 -10.448 3.530 1.00 0.00 C ATOM 684 O VAL A 43 -4.145 -10.797 2.746 1.00 0.00 O ATOM 685 CB VAL A 43 -4.338 -10.021 5.920 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.186 -11.002 5.691 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.890 -8.933 6.898 1.00 0.00 C ATOM 0 H VAL A 43 -6.248 -8.544 5.843 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.938 -8.735 4.219 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.194 -10.554 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.903 -11.459 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.502 -11.778 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.331 -10.468 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.608 -9.390 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.034 -8.400 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.708 -8.232 7.062 1.00 0.00 H new ATOM 697 N GLU A 44 -6.210 -10.955 3.491 1.00 0.00 N ATOM 698 CA GLU A 44 -6.554 -11.984 2.471 1.00 0.00 C ATOM 699 C GLU A 44 -6.535 -11.339 1.088 1.00 0.00 C ATOM 700 O GLU A 44 -5.777 -11.724 0.220 1.00 0.00 O ATOM 701 CB GLU A 44 -7.965 -12.453 2.831 1.00 0.00 C ATOM 702 CG GLU A 44 -7.994 -13.982 2.897 1.00 0.00 C ATOM 703 CD GLU A 44 -7.330 -14.449 4.194 1.00 0.00 C ATOM 704 OE1 GLU A 44 -6.416 -13.779 4.643 1.00 0.00 O ATOM 705 OE2 GLU A 44 -7.748 -15.470 4.715 1.00 0.00 O ATOM 0 H GLU A 44 -6.969 -10.699 4.122 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.852 -12.818 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.266 -12.031 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.679 -12.097 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.023 -14.339 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.474 -14.404 2.037 1.00 0.00 H new ATOM 712 N GLN A 45 -7.348 -10.340 0.887 1.00 0.00 N ATOM 713 CA GLN A 45 -7.358 -9.648 -0.430 1.00 0.00 C ATOM 714 C GLN A 45 -5.927 -9.250 -0.781 1.00 0.00 C ATOM 715 O GLN A 45 -5.511 -9.305 -1.921 1.00 0.00 O ATOM 716 CB GLN A 45 -8.231 -8.408 -0.227 1.00 0.00 C ATOM 717 CG GLN A 45 -9.001 -8.108 -1.515 1.00 0.00 C ATOM 718 CD GLN A 45 -10.376 -8.775 -1.456 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.475 -9.984 -1.397 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.449 -8.032 -1.471 1.00 0.00 N ATOM 0 H GLN A 45 -8.004 -9.974 1.577 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.742 -10.270 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.927 -8.571 0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.611 -7.554 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.113 -7.031 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.444 -8.474 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.366 -7.017 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.371 -8.467 -1.433 1.00 0.00 H new ATOM 729 N LEU A 46 -5.166 -8.870 0.207 1.00 0.00 N ATOM 730 CA LEU A 46 -3.751 -8.488 -0.043 1.00 0.00 C ATOM 731 C LEU A 46 -2.933 -9.753 -0.308 1.00 0.00 C ATOM 732 O LEU A 46 -1.972 -9.742 -1.051 1.00 0.00 O ATOM 733 CB LEU A 46 -3.291 -7.803 1.243 1.00 0.00 C ATOM 734 CG LEU A 46 -2.953 -6.338 0.956 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.143 -5.652 0.281 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.637 -5.625 2.272 1.00 0.00 C ATOM 0 H LEU A 46 -5.466 -8.808 1.180 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.632 -7.833 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.074 -7.864 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.418 -8.315 1.647 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.089 -6.291 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.896 -4.610 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.371 -6.159 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.011 -5.698 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.396 -4.581 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.504 -5.677 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.786 -6.108 2.752 1.00 0.00 H new ATOM 748 N LYS A 47 -3.324 -10.848 0.288 1.00 0.00 N ATOM 749 CA LYS A 47 -2.590 -12.125 0.063 1.00 0.00 C ATOM 750 C LYS A 47 -2.593 -12.449 -1.430 1.00 0.00 C ATOM 751 O LYS A 47 -1.572 -12.415 -2.089 1.00 0.00 O ATOM 752 CB LYS A 47 -3.382 -13.177 0.840 1.00 0.00 C ATOM 753 CG LYS A 47 -2.446 -13.929 1.787 1.00 0.00 C ATOM 754 CD LYS A 47 -3.234 -14.399 3.011 1.00 0.00 C ATOM 755 CE LYS A 47 -2.374 -14.235 4.264 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.253 -15.199 4.085 1.00 0.00 N ATOM 0 H LYS A 47 -4.121 -10.912 0.921 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.551 -12.081 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.182 -12.700 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.854 -13.875 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.003 -14.784 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.625 -13.281 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.153 -13.821 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.525 -15.442 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.006 -13.214 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.944 -14.455 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.829 -15.414 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.614 -16.075 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.532 -14.781 3.463 1.00 0.00 H new ATOM 770 N SER A 48 -3.743 -12.743 -1.970 1.00 0.00 N ATOM 771 CA SER A 48 -3.828 -13.047 -3.426 1.00 0.00 C ATOM 772 C SER A 48 -3.132 -11.936 -4.207 1.00 0.00 C ATOM 773 O SER A 48 -2.596 -12.155 -5.273 1.00 0.00 O ATOM 774 CB SER A 48 -5.323 -13.073 -3.741 1.00 0.00 C ATOM 775 OG SER A 48 -5.893 -11.812 -3.416 1.00 0.00 O ATOM 0 H SER A 48 -4.628 -12.786 -1.466 1.00 0.00 H new ATOM 0 HA SER A 48 -3.349 -13.989 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.480 -13.295 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.813 -13.864 -3.173 1.00 0.00 H new ATOM 0 HG SER A 48 -6.852 -11.825 -3.618 1.00 0.00 H new ATOM 781 N ILE A 49 -3.121 -10.743 -3.676 1.00 0.00 N ATOM 782 CA ILE A 49 -2.438 -9.628 -4.387 1.00 0.00 C ATOM 783 C ILE A 49 -0.969 -10.004 -4.578 1.00 0.00 C ATOM 784 O ILE A 49 -0.471 -10.063 -5.683 1.00 0.00 O ATOM 785 CB ILE A 49 -2.623 -8.400 -3.474 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.578 -7.414 -4.151 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.286 -7.696 -3.208 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.019 -7.015 -5.518 1.00 0.00 C ATOM 0 H ILE A 49 -3.553 -10.495 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.839 -9.420 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.030 -8.739 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.562 -7.867 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.706 -6.530 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.451 -6.834 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.600 -8.389 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.856 -7.363 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.700 -6.313 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.044 -6.544 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.914 -7.903 -6.141 1.00 0.00 H new ATOM 800 N ARG A 50 -0.283 -10.290 -3.512 1.00 0.00 N ATOM 801 CA ARG A 50 1.141 -10.696 -3.645 1.00 0.00 C ATOM 802 C ARG A 50 1.233 -11.772 -4.727 1.00 0.00 C ATOM 803 O ARG A 50 2.085 -11.738 -5.592 1.00 0.00 O ATOM 804 CB ARG A 50 1.521 -11.267 -2.279 1.00 0.00 C ATOM 805 CG ARG A 50 1.985 -10.136 -1.363 1.00 0.00 C ATOM 806 CD ARG A 50 3.132 -10.637 -0.484 1.00 0.00 C ATOM 807 NE ARG A 50 2.469 -11.351 0.643 1.00 0.00 N ATOM 808 CZ ARG A 50 1.945 -12.531 0.452 1.00 0.00 C ATOM 809 NH1 ARG A 50 2.635 -13.463 -0.147 1.00 0.00 N ATOM 810 NH2 ARG A 50 0.731 -12.779 0.862 1.00 0.00 N ATOM 0 H ARG A 50 -0.643 -10.261 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 50 1.802 -9.876 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.666 -11.779 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.314 -12.007 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.312 -9.283 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.158 -9.793 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.793 -11.303 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.743 -9.810 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 50 2.425 -10.917 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.584 -13.269 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.225 -14.385 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.192 -12.051 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.321 -13.701 0.713 1.00 0.00 H new ATOM 824 N GLU A 51 0.332 -12.715 -4.687 1.00 0.00 N ATOM 825 CA GLU A 51 0.314 -13.797 -5.711 1.00 0.00 C ATOM 826 C GLU A 51 -0.009 -13.185 -7.072 1.00 0.00 C ATOM 827 O GLU A 51 0.787 -13.198 -7.988 1.00 0.00 O ATOM 828 CB GLU A 51 -0.810 -14.727 -5.234 1.00 0.00 C ATOM 829 CG GLU A 51 -1.495 -15.418 -6.418 1.00 0.00 C ATOM 830 CD GLU A 51 -0.441 -15.934 -7.400 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.708 -16.044 -7.004 1.00 0.00 O ATOM 832 OE2 GLU A 51 -0.801 -16.211 -8.533 1.00 0.00 O ATOM 0 H GLU A 51 -0.400 -12.782 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 51 1.261 -14.326 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.402 -15.478 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.545 -14.154 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.109 -16.245 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.163 -14.719 -6.922 1.00 0.00 H new ATOM 839 N ASP A 52 -1.169 -12.633 -7.204 1.00 0.00 N ATOM 840 CA ASP A 52 -1.526 -11.999 -8.500 1.00 0.00 C ATOM 841 C ASP A 52 -0.365 -11.107 -8.943 1.00 0.00 C ATOM 842 O ASP A 52 0.144 -11.229 -10.039 1.00 0.00 O ATOM 843 CB ASP A 52 -2.778 -11.171 -8.212 1.00 0.00 C ATOM 844 CG ASP A 52 -4.019 -11.966 -8.619 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.066 -13.147 -8.319 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.902 -11.380 -9.225 1.00 0.00 O ATOM 0 H ASP A 52 -1.886 -12.590 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.712 -12.720 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.825 -10.920 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.739 -10.230 -8.761 1.00 0.00 H new ATOM 851 N ILE A 53 0.080 -10.229 -8.082 1.00 0.00 N ATOM 852 CA ILE A 53 1.231 -9.357 -8.440 1.00 0.00 C ATOM 853 C ILE A 53 2.447 -10.243 -8.712 1.00 0.00 C ATOM 854 O ILE A 53 3.365 -9.870 -9.415 1.00 0.00 O ATOM 855 CB ILE A 53 1.464 -8.473 -7.213 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.301 -7.487 -7.066 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.772 -7.696 -7.386 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.674 -6.398 -6.057 1.00 0.00 C ATOM 0 H ILE A 53 -0.305 -10.080 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 53 1.052 -8.752 -9.329 1.00 0.00 H new ATOM 0 HB ILE A 53 1.526 -9.097 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.068 -7.038 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.595 -8.012 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.939 -7.066 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.600 -8.397 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.709 -7.072 -8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.155 -5.698 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.885 -6.855 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.558 -5.865 -6.407 1.00 0.00 H new ATOM 870 N VAL A 54 2.441 -11.428 -8.161 1.00 0.00 N ATOM 871 CA VAL A 54 3.571 -12.373 -8.377 1.00 0.00 C ATOM 872 C VAL A 54 3.413 -13.058 -9.741 1.00 0.00 C ATOM 873 O VAL A 54 4.261 -12.952 -10.605 1.00 0.00 O ATOM 874 CB VAL A 54 3.460 -13.390 -7.222 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.931 -14.774 -7.675 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.321 -12.931 -6.046 1.00 0.00 C ATOM 0 H VAL A 54 1.693 -11.783 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 54 4.544 -11.882 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 54 2.415 -13.451 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.845 -15.477 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.313 -15.115 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.971 -14.717 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.240 -13.652 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.361 -12.858 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.977 -11.956 -5.702 1.00 0.00 H new ATOM 886 N SER A 55 2.331 -13.759 -9.936 1.00 0.00 N ATOM 887 CA SER A 55 2.113 -14.450 -11.240 1.00 0.00 C ATOM 888 C SER A 55 1.231 -13.597 -12.152 1.00 0.00 C ATOM 889 O SER A 55 0.288 -12.971 -11.711 1.00 0.00 O ATOM 890 CB SER A 55 1.409 -15.761 -10.894 1.00 0.00 C ATOM 891 OG SER A 55 1.430 -15.956 -9.485 1.00 0.00 O ATOM 0 H SER A 55 1.587 -13.884 -9.249 1.00 0.00 H new ATOM 0 HA SER A 55 3.050 -14.621 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.380 -15.739 -11.253 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.903 -16.594 -11.394 1.00 0.00 H new ATOM 0 HG SER A 55 0.727 -16.590 -9.232 1.00 0.00 H new ATOM 897 N GLY A 56 1.528 -13.567 -13.420 1.00 0.00 N ATOM 898 CA GLY A 56 0.710 -12.759 -14.358 1.00 0.00 C ATOM 899 C GLY A 56 1.303 -11.359 -14.457 1.00 0.00 C ATOM 900 O GLY A 56 1.260 -10.591 -13.516 1.00 0.00 O ATOM 0 H GLY A 56 2.306 -14.070 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.690 -13.229 -15.341 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.321 -12.707 -14.009 1.00 0.00 H new ATOM 904 N LYS A 57 1.855 -11.016 -15.584 1.00 0.00 N ATOM 905 CA LYS A 57 2.448 -9.656 -15.741 1.00 0.00 C ATOM 906 C LYS A 57 1.341 -8.598 -15.716 1.00 0.00 C ATOM 907 O LYS A 57 1.219 -7.790 -16.615 1.00 0.00 O ATOM 908 CB LYS A 57 3.140 -9.678 -17.106 1.00 0.00 C ATOM 909 CG LYS A 57 3.928 -8.380 -17.301 1.00 0.00 C ATOM 910 CD LYS A 57 3.673 -7.831 -18.707 1.00 0.00 C ATOM 911 CE LYS A 57 4.641 -6.679 -18.990 1.00 0.00 C ATOM 912 NZ LYS A 57 4.847 -6.700 -20.465 1.00 0.00 N ATOM 0 H LYS A 57 1.923 -11.617 -16.406 1.00 0.00 H new ATOM 0 HA LYS A 57 3.144 -9.411 -14.939 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.810 -10.536 -17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.400 -9.789 -17.899 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.629 -7.645 -16.553 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.993 -8.564 -17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.805 -8.621 -19.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.643 -7.484 -18.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.226 -5.726 -18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.583 -6.815 -18.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.500 -5.937 -20.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.250 -7.617 -20.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.935 -6.561 -20.945 1.00 0.00 H new ATOM 926 N ALA A 58 0.529 -8.603 -14.693 1.00 0.00 N ATOM 927 CA ALA A 58 -0.572 -7.609 -14.602 1.00 0.00 C ATOM 928 C ALA A 58 -0.002 -6.200 -14.432 1.00 0.00 C ATOM 929 O ALA A 58 1.164 -5.958 -14.669 1.00 0.00 O ATOM 930 CB ALA A 58 -1.353 -8.028 -13.360 1.00 0.00 C ATOM 0 H ALA A 58 0.584 -9.258 -13.913 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.195 -7.586 -15.496 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.191 -7.348 -13.211 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.728 -9.043 -13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.698 -7.993 -12.489 1.00 0.00 H new ATOM 936 N ASN A 59 -0.817 -5.268 -14.024 1.00 0.00 N ATOM 937 CA ASN A 59 -0.323 -3.877 -13.842 1.00 0.00 C ATOM 938 C ASN A 59 -0.236 -3.538 -12.352 1.00 0.00 C ATOM 939 O ASN A 59 -0.262 -4.408 -11.504 1.00 0.00 O ATOM 940 CB ASN A 59 -1.365 -3.002 -14.537 1.00 0.00 C ATOM 941 CG ASN A 59 -1.165 -3.082 -16.051 1.00 0.00 C ATOM 942 OD1 ASN A 59 -1.699 -3.959 -16.701 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.411 -2.198 -16.644 1.00 0.00 N ATOM 0 H ASN A 59 -1.804 -5.410 -13.809 1.00 0.00 H new ATOM 0 HA ASN A 59 0.675 -3.730 -14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.369 -3.334 -14.273 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.272 -1.969 -14.201 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.270 -2.243 -17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.037 -1.462 -16.099 1.00 0.00 H new ATOM 950 N PHE A 60 -0.133 -2.280 -12.029 1.00 0.00 N ATOM 951 CA PHE A 60 -0.045 -1.881 -10.597 1.00 0.00 C ATOM 952 C PHE A 60 -0.321 -0.384 -10.459 1.00 0.00 C ATOM 953 O PHE A 60 -0.984 0.054 -9.539 1.00 0.00 O ATOM 954 CB PHE A 60 1.390 -2.204 -10.180 1.00 0.00 C ATOM 955 CG PHE A 60 1.558 -1.943 -8.702 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.588 -0.628 -8.223 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.687 -3.015 -7.810 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.747 -0.384 -6.854 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.845 -2.771 -6.440 1.00 0.00 C ATOM 960 CZ PHE A 60 1.875 -1.456 -5.962 1.00 0.00 C ATOM 0 H PHE A 60 -0.106 -1.509 -12.696 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.772 -2.402 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.619 -3.246 -10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.091 -1.594 -10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.488 0.199 -8.910 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.665 -4.030 -8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.771 0.631 -6.486 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.944 -3.598 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.997 -1.268 -4.905 1.00 0.00 H new ATOM 970 N GLU A 61 0.176 0.400 -11.373 1.00 0.00 N ATOM 971 CA GLU A 61 -0.061 1.869 -11.305 1.00 0.00 C ATOM 972 C GLU A 61 -1.566 2.151 -11.333 1.00 0.00 C ATOM 973 O GLU A 61 -2.164 2.461 -10.323 1.00 0.00 O ATOM 974 CB GLU A 61 0.629 2.441 -12.544 1.00 0.00 C ATOM 975 CG GLU A 61 2.147 2.379 -12.353 1.00 0.00 C ATOM 976 CD GLU A 61 2.846 2.960 -13.585 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.630 4.126 -13.870 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.587 2.229 -14.221 1.00 0.00 O ATOM 0 H GLU A 61 0.737 0.087 -12.165 1.00 0.00 H new ATOM 0 HA GLU A 61 0.329 2.317 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.339 1.875 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.313 3.472 -12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.434 2.938 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.462 1.347 -12.197 1.00 0.00 H new ATOM 985 N GLU A 62 -2.189 2.032 -12.476 1.00 0.00 N ATOM 986 CA GLU A 62 -3.657 2.282 -12.542 1.00 0.00 C ATOM 987 C GLU A 62 -4.337 1.573 -11.372 1.00 0.00 C ATOM 988 O GLU A 62 -5.168 2.137 -10.688 1.00 0.00 O ATOM 989 CB GLU A 62 -4.111 1.681 -13.873 1.00 0.00 C ATOM 990 CG GLU A 62 -3.925 2.709 -14.991 1.00 0.00 C ATOM 991 CD GLU A 62 -4.242 2.059 -16.339 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.668 0.917 -16.337 1.00 0.00 O ATOM 993 OE2 GLU A 62 -4.053 2.716 -17.350 1.00 0.00 O ATOM 0 H GLU A 62 -1.748 1.775 -13.359 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.908 3.341 -12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.535 0.782 -14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.157 1.382 -13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.579 3.565 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.902 3.084 -14.988 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.975 0.343 -11.122 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.589 -0.387 -9.980 1.00 0.00 C ATOM 1002 C VAL A 63 -4.429 0.452 -8.716 1.00 0.00 C ATOM 1003 O VAL A 63 -5.365 0.664 -7.971 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.803 -1.694 -9.862 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.280 -2.469 -8.632 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.034 -2.542 -11.114 1.00 0.00 C ATOM 0 H VAL A 63 -3.284 -0.184 -11.657 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.652 -0.579 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.741 -1.469 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.719 -3.400 -8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.119 -1.867 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.342 -2.693 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.474 -3.474 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.097 -2.765 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.696 -1.993 -11.993 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.246 0.943 -8.483 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.009 1.784 -7.280 1.00 0.00 C ATOM 1018 C ALA A 64 -3.862 3.049 -7.360 1.00 0.00 C ATOM 1019 O ALA A 64 -4.687 3.308 -6.508 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.523 2.138 -7.333 1.00 0.00 C ATOM 0 H ALA A 64 -2.430 0.797 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.272 1.273 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.266 2.760 -6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.930 1.224 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.311 2.683 -8.253 1.00 0.00 H new ATOM 1026 N THR A 65 -3.681 3.834 -8.386 1.00 0.00 N ATOM 1027 CA THR A 65 -4.491 5.075 -8.518 1.00 0.00 C ATOM 1028 C THR A 65 -5.957 4.774 -8.193 1.00 0.00 C ATOM 1029 O THR A 65 -6.704 5.638 -7.778 1.00 0.00 O ATOM 1030 CB THR A 65 -4.335 5.491 -9.979 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.900 4.375 -10.738 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.302 6.613 -10.088 1.00 0.00 C ATOM 0 H THR A 65 -3.009 3.670 -9.136 1.00 0.00 H new ATOM 0 HA THR A 65 -4.168 5.862 -7.837 1.00 0.00 H new ATOM 0 HB THR A 65 -5.293 5.845 -10.360 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.638 3.738 -10.836 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.193 6.907 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.633 7.470 -9.502 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.342 6.262 -9.708 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.368 3.550 -8.376 1.00 0.00 N ATOM 1041 CA ARG A 66 -7.779 3.180 -8.076 1.00 0.00 C ATOM 1042 C ARG A 66 -7.903 2.721 -6.621 1.00 0.00 C ATOM 1043 O ARG A 66 -8.600 3.317 -5.824 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.093 2.026 -9.030 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.601 1.958 -9.276 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.309 1.533 -7.989 1.00 0.00 C ATOM 1047 NE ARG A 66 -10.896 2.788 -7.444 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.167 2.842 -7.153 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.033 2.199 -7.889 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.573 3.540 -6.129 1.00 0.00 N ATOM 0 H ARG A 66 -5.785 2.788 -8.722 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.466 4.017 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.567 2.168 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.741 1.085 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.971 2.930 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.818 1.249 -10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.081 0.790 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.610 1.084 -7.283 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.304 3.606 -7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.716 1.655 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.026 2.241 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.897 4.044 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.567 3.582 -5.902 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.228 1.662 -6.277 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.295 1.146 -4.878 1.00 0.00 C ATOM 1066 C VAL A 67 -6.120 1.681 -4.052 1.00 0.00 C ATOM 1067 O VAL A 67 -5.347 0.924 -3.507 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.193 -0.375 -5.021 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.913 -0.729 -5.776 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.147 -1.021 -3.637 1.00 0.00 C ATOM 0 H VAL A 67 -6.629 1.127 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.207 1.456 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.061 -0.742 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.839 -1.812 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.936 -0.271 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.050 -0.357 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.074 -2.103 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.279 -0.651 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.055 -0.770 -3.088 1.00 0.00 H new ATOM 1080 N SER A 68 -5.974 2.974 -3.948 1.00 0.00 N ATOM 1081 CA SER A 68 -4.840 3.522 -3.148 1.00 0.00 C ATOM 1082 C SER A 68 -5.326 4.657 -2.251 1.00 0.00 C ATOM 1083 O SER A 68 -6.333 5.280 -2.520 1.00 0.00 O ATOM 1084 CB SER A 68 -3.838 4.043 -4.175 1.00 0.00 C ATOM 1085 OG SER A 68 -3.178 2.944 -4.790 1.00 0.00 O ATOM 0 H SER A 68 -6.584 3.669 -4.378 1.00 0.00 H new ATOM 0 HA SER A 68 -4.397 2.769 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.350 4.642 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.110 4.694 -3.691 1.00 0.00 H new ATOM 0 HG SER A 68 -3.494 2.107 -4.390 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.617 4.935 -1.187 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.046 6.039 -0.286 1.00 0.00 C ATOM 1093 C ASP A 69 -5.478 7.232 -1.124 1.00 0.00 C ATOM 1094 O ASP A 69 -4.780 7.644 -2.025 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.820 6.376 0.561 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.250 7.201 1.774 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.445 7.316 1.995 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.378 7.707 2.461 1.00 0.00 O ATOM 0 H ASP A 69 -3.766 4.447 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.891 5.763 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.327 5.460 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.096 6.934 -0.033 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.636 7.762 -0.834 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.176 8.925 -1.599 1.00 0.00 C ATOM 1105 C CYS A 70 -6.049 9.720 -2.268 1.00 0.00 C ATOM 1106 O CYS A 70 -5.813 9.604 -3.458 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.892 9.758 -0.538 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.229 11.417 -1.178 1.00 0.00 S ATOM 0 H CYS A 70 -7.243 7.431 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.838 8.624 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.825 9.273 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.278 9.823 0.360 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.840 12.117 -0.269 1.00 0.00 H new ATOM 1114 N SER A 71 -5.331 10.500 -1.516 1.00 0.00 N ATOM 1115 CA SER A 71 -4.207 11.264 -2.119 1.00 0.00 C ATOM 1116 C SER A 71 -3.338 10.304 -2.918 1.00 0.00 C ATOM 1117 O SER A 71 -3.036 10.530 -4.073 1.00 0.00 O ATOM 1118 CB SER A 71 -3.436 11.822 -0.929 1.00 0.00 C ATOM 1119 OG SER A 71 -2.415 12.695 -1.396 1.00 0.00 O ATOM 0 H SER A 71 -5.471 10.642 -0.516 1.00 0.00 H new ATOM 0 HA SER A 71 -4.534 12.056 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.112 12.358 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.998 11.008 -0.351 1.00 0.00 H new ATOM 0 HG SER A 71 -1.919 13.056 -0.632 1.00 0.00 H new ATOM 1125 N SER A 72 -2.951 9.220 -2.310 1.00 0.00 N ATOM 1126 CA SER A 72 -2.115 8.228 -3.039 1.00 0.00 C ATOM 1127 C SER A 72 -2.821 7.836 -4.334 1.00 0.00 C ATOM 1128 O SER A 72 -2.192 7.603 -5.337 1.00 0.00 O ATOM 1129 CB SER A 72 -1.979 7.026 -2.105 1.00 0.00 C ATOM 1130 OG SER A 72 -1.296 7.425 -0.924 1.00 0.00 O ATOM 0 H SER A 72 -3.176 8.978 -1.345 1.00 0.00 H new ATOM 0 HA SER A 72 -1.134 8.623 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.964 6.632 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.433 6.224 -2.602 1.00 0.00 H new ATOM 0 HG SER A 72 -1.109 6.637 -0.372 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.125 7.792 -4.342 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.818 7.450 -5.615 1.00 0.00 C ATOM 1138 C ALA A 73 -4.232 8.348 -6.698 1.00 0.00 C ATOM 1139 O ALA A 73 -3.981 7.932 -7.812 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.296 7.759 -5.390 1.00 0.00 C ATOM 0 H ALA A 73 -4.729 7.974 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.697 6.408 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.858 7.527 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.672 7.155 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.414 8.816 -5.150 1.00 0.00 H new ATOM 1146 N LYS A 74 -3.968 9.576 -6.345 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.343 10.514 -7.314 1.00 0.00 C ATOM 1148 C LYS A 74 -1.896 10.064 -7.536 1.00 0.00 C ATOM 1149 O LYS A 74 -1.342 10.185 -8.610 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.395 11.882 -6.628 1.00 0.00 C ATOM 1151 CG LYS A 74 -2.973 12.968 -7.621 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.183 14.344 -6.991 1.00 0.00 C ATOM 1153 CE LYS A 74 -2.470 15.404 -7.833 1.00 0.00 C ATOM 1154 NZ LYS A 74 -1.652 16.180 -6.861 1.00 0.00 N ATOM 0 H LYS A 74 -4.160 9.969 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.841 10.546 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.403 12.080 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.735 11.891 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.926 12.838 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.556 12.883 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.248 14.569 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.796 14.352 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.844 14.945 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.185 16.045 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.132 16.928 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.275 16.611 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.976 15.545 -6.391 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.301 9.519 -6.507 1.00 0.00 N ATOM 1169 CA ARG A 75 0.099 9.012 -6.597 1.00 0.00 C ATOM 1170 C ARG A 75 0.091 7.491 -6.400 1.00 0.00 C ATOM 1171 O ARG A 75 0.827 6.953 -5.597 1.00 0.00 O ATOM 1172 CB ARG A 75 0.834 9.689 -5.439 1.00 0.00 C ATOM 1173 CG ARG A 75 1.209 11.115 -5.831 1.00 0.00 C ATOM 1174 CD ARG A 75 1.123 12.027 -4.603 1.00 0.00 C ATOM 1175 NE ARG A 75 2.300 12.933 -4.713 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.895 13.363 -3.635 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.222 13.486 -2.524 1.00 0.00 N ATOM 1178 NH2 ARG A 75 4.163 13.670 -3.666 1.00 0.00 N ATOM 0 H ARG A 75 -1.735 9.402 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 75 0.569 9.224 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.202 9.700 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.731 9.124 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.218 11.136 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.540 11.476 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.190 12.591 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.155 11.449 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 75 2.641 13.217 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.231 13.246 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.687 13.822 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.690 13.574 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.627 14.006 -2.822 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.763 6.802 -7.110 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.857 5.322 -6.954 1.00 0.00 C ATOM 1194 C GLY A 76 0.434 4.673 -7.429 1.00 0.00 C ATOM 1195 O GLY A 76 0.653 3.492 -7.247 1.00 0.00 O ATOM 0 H GLY A 76 -1.403 7.204 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.040 5.068 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.701 4.939 -7.528 1.00 0.00 H new ATOM 1199 N GLY A 77 1.292 5.432 -8.038 1.00 0.00 N ATOM 1200 CA GLY A 77 2.567 4.849 -8.521 1.00 0.00 C ATOM 1201 C GLY A 77 3.455 4.506 -7.326 1.00 0.00 C ATOM 1202 O GLY A 77 3.240 3.526 -6.624 1.00 0.00 O ATOM 0 H GLY A 77 1.167 6.427 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.370 3.953 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.077 5.555 -9.176 1.00 0.00 H new ATOM 1206 N ASP A 78 4.458 5.299 -7.086 1.00 0.00 N ATOM 1207 CA ASP A 78 5.362 4.999 -5.945 1.00 0.00 C ATOM 1208 C ASP A 78 5.720 6.268 -5.168 1.00 0.00 C ATOM 1209 O ASP A 78 5.477 7.374 -5.607 1.00 0.00 O ATOM 1210 CB ASP A 78 6.629 4.393 -6.569 1.00 0.00 C ATOM 1211 CG ASP A 78 6.276 3.562 -7.810 1.00 0.00 C ATOM 1212 OD1 ASP A 78 5.756 4.133 -8.755 1.00 0.00 O ATOM 1213 OD2 ASP A 78 6.539 2.372 -7.797 1.00 0.00 O ATOM 0 H ASP A 78 4.690 6.134 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 78 4.884 4.322 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.322 5.188 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.137 3.765 -5.837 1.00 0.00 H new ATOM 1218 N LEU A 79 6.315 6.103 -4.015 1.00 0.00 N ATOM 1219 CA LEU A 79 6.717 7.281 -3.195 1.00 0.00 C ATOM 1220 C LEU A 79 7.986 7.893 -3.784 1.00 0.00 C ATOM 1221 O LEU A 79 7.977 8.964 -4.359 1.00 0.00 O ATOM 1222 CB LEU A 79 7.020 6.715 -1.801 1.00 0.00 C ATOM 1223 CG LEU A 79 5.719 6.397 -1.061 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.890 5.402 -1.875 1.00 0.00 C ATOM 1225 CD2 LEU A 79 6.047 5.781 0.304 1.00 0.00 C ATOM 0 H LEU A 79 6.540 5.197 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 79 5.946 8.051 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.625 5.813 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.605 7.435 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 79 5.150 7.317 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.965 5.179 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.655 5.834 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.459 4.483 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.121 5.554 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.618 4.864 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.635 6.487 0.890 1.00 0.00 H new ATOM 1237 N GLY A 80 9.077 7.204 -3.632 1.00 0.00 N ATOM 1238 CA GLY A 80 10.375 7.693 -4.157 1.00 0.00 C ATOM 1239 C GLY A 80 11.469 7.211 -3.217 1.00 0.00 C ATOM 1240 O GLY A 80 11.974 6.115 -3.349 1.00 0.00 O ATOM 0 H GLY A 80 9.124 6.303 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.545 7.317 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.376 8.781 -4.218 1.00 0.00 H new ATOM 1244 N SER A 81 11.820 8.014 -2.254 1.00 0.00 N ATOM 1245 CA SER A 81 12.873 7.602 -1.287 1.00 0.00 C ATOM 1246 C SER A 81 12.653 8.269 0.071 1.00 0.00 C ATOM 1247 O SER A 81 12.279 9.422 0.160 1.00 0.00 O ATOM 1248 CB SER A 81 14.180 8.080 -1.894 1.00 0.00 C ATOM 1249 OG SER A 81 14.500 9.364 -1.375 1.00 0.00 O ATOM 0 H SER A 81 11.422 8.940 -2.094 1.00 0.00 H new ATOM 0 HA SER A 81 12.863 6.525 -1.118 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.979 7.374 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.094 8.125 -2.980 1.00 0.00 H new ATOM 0 HG SER A 81 15.344 9.673 -1.765 1.00 0.00 H new ATOM 1255 N PHE A 82 12.897 7.550 1.126 1.00 0.00 N ATOM 1256 CA PHE A 82 12.723 8.125 2.489 1.00 0.00 C ATOM 1257 C PHE A 82 13.366 7.185 3.507 1.00 0.00 C ATOM 1258 O PHE A 82 14.063 6.260 3.148 1.00 0.00 O ATOM 1259 CB PHE A 82 11.212 8.208 2.702 1.00 0.00 C ATOM 1260 CG PHE A 82 10.592 6.869 2.392 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.339 6.507 1.064 1.00 0.00 C ATOM 1262 CD2 PHE A 82 10.277 5.987 3.431 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.774 5.263 0.774 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.709 4.742 3.141 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.458 4.381 1.811 1.00 0.00 C ATOM 0 H PHE A 82 13.212 6.580 1.105 1.00 0.00 H new ATOM 0 HA PHE A 82 13.189 9.104 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.993 8.494 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.784 8.978 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.581 7.190 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.472 6.267 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.581 4.983 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.464 4.060 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 82 9.020 3.420 1.587 1.00 0.00 H new ATOM 1275 N GLY A 83 13.142 7.403 4.770 1.00 0.00 N ATOM 1276 CA GLY A 83 13.753 6.503 5.785 1.00 0.00 C ATOM 1277 C GLY A 83 13.484 7.053 7.185 1.00 0.00 C ATOM 1278 O GLY A 83 12.470 6.770 7.791 1.00 0.00 O ATOM 0 H GLY A 83 12.567 8.159 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.339 5.499 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.827 6.422 5.615 1.00 0.00 H new ATOM 1282 N ARG A 84 14.385 7.838 7.702 1.00 0.00 N ATOM 1283 CA ARG A 84 14.182 8.408 9.062 1.00 0.00 C ATOM 1284 C ARG A 84 13.052 9.443 9.038 1.00 0.00 C ATOM 1285 O ARG A 84 12.656 9.966 10.061 1.00 0.00 O ATOM 1286 CB ARG A 84 15.516 9.068 9.413 1.00 0.00 C ATOM 1287 CG ARG A 84 16.427 8.044 10.093 1.00 0.00 C ATOM 1288 CD ARG A 84 16.502 6.774 9.240 1.00 0.00 C ATOM 1289 NE ARG A 84 17.242 5.793 10.080 1.00 0.00 N ATOM 1290 CZ ARG A 84 17.060 4.514 9.901 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.938 4.035 8.694 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.003 3.713 10.930 1.00 0.00 N ATOM 0 H ARG A 84 15.254 8.110 7.242 1.00 0.00 H new ATOM 0 HA ARG A 84 13.898 7.651 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.992 9.452 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.350 9.919 10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.424 8.463 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.045 7.805 11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.507 6.408 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.021 6.960 8.299 1.00 0.00 H new ATOM 0 HE ARG A 84 17.891 6.121 10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.985 4.661 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.796 3.035 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.101 4.087 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.861 2.713 10.790 1.00 0.00 H new ATOM 1306 N GLY A 85 12.530 9.740 7.879 1.00 0.00 N ATOM 1307 CA GLY A 85 11.425 10.738 7.791 1.00 0.00 C ATOM 1308 C GLY A 85 10.253 10.140 7.008 1.00 0.00 C ATOM 1309 O GLY A 85 10.256 8.976 6.660 1.00 0.00 O ATOM 0 H GLY A 85 12.821 9.335 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 85 11.099 11.024 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.779 11.645 7.300 1.00 0.00 H new ATOM 1313 N GLN A 86 9.251 10.929 6.726 1.00 0.00 N ATOM 1314 CA GLN A 86 8.078 10.409 5.961 1.00 0.00 C ATOM 1315 C GLN A 86 7.519 9.151 6.609 1.00 0.00 C ATOM 1316 O GLN A 86 8.059 8.631 7.565 1.00 0.00 O ATOM 1317 CB GLN A 86 8.624 10.023 4.589 1.00 0.00 C ATOM 1318 CG GLN A 86 8.815 11.256 3.718 1.00 0.00 C ATOM 1319 CD GLN A 86 7.465 11.927 3.458 1.00 0.00 C ATOM 1320 OE1 GLN A 86 6.899 12.543 4.338 1.00 0.00 O ATOM 1321 NE2 GLN A 86 6.924 11.836 2.273 1.00 0.00 N ATOM 0 H GLN A 86 9.193 11.912 6.992 1.00 0.00 H new ATOM 0 HA GLN A 86 7.286 11.156 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.575 9.502 4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.938 9.330 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.490 11.957 4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.279 10.975 2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.399 11.319 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.026 12.282 2.087 1.00 0.00 H new ATOM 1330 N MET A 87 6.468 8.633 6.043 1.00 0.00 N ATOM 1331 CA MET A 87 5.884 7.369 6.556 1.00 0.00 C ATOM 1332 C MET A 87 5.937 7.307 8.085 1.00 0.00 C ATOM 1333 O MET A 87 6.070 8.311 8.756 1.00 0.00 O ATOM 1334 CB MET A 87 6.791 6.313 5.940 1.00 0.00 C ATOM 1335 CG MET A 87 5.986 5.479 4.948 1.00 0.00 C ATOM 1336 SD MET A 87 6.816 5.476 3.337 1.00 0.00 S ATOM 1337 CE MET A 87 7.081 7.261 3.203 1.00 0.00 C ATOM 0 H MET A 87 5.985 9.036 5.240 1.00 0.00 H new ATOM 0 HA MET A 87 4.831 7.248 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.632 6.788 5.436 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.206 5.673 6.719 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.882 4.458 5.316 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.980 5.886 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.251 7.526 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.202 7.788 3.573 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.951 7.545 3.796 1.00 0.00 H new ATOM 1347 N GLN A 88 5.832 6.127 8.637 1.00 0.00 N ATOM 1348 CA GLN A 88 5.876 5.984 10.120 1.00 0.00 C ATOM 1349 C GLN A 88 6.720 4.760 10.503 1.00 0.00 C ATOM 1350 O GLN A 88 7.526 4.286 9.727 1.00 0.00 O ATOM 1351 CB GLN A 88 4.415 5.798 10.538 1.00 0.00 C ATOM 1352 CG GLN A 88 3.734 7.164 10.642 1.00 0.00 C ATOM 1353 CD GLN A 88 2.570 7.078 11.633 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.467 6.727 11.263 1.00 0.00 O ATOM 1355 NE2 GLN A 88 2.772 7.384 12.885 1.00 0.00 N ATOM 0 H GLN A 88 5.717 5.254 8.122 1.00 0.00 H new ATOM 0 HA GLN A 88 6.329 6.844 10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.894 5.175 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.363 5.280 11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.451 7.916 10.971 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.370 7.477 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.698 7.679 13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.004 7.329 13.554 1.00 0.00 H new ATOM 1364 N LYS A 89 6.550 4.249 11.694 1.00 0.00 N ATOM 1365 CA LYS A 89 7.350 3.064 12.126 1.00 0.00 C ATOM 1366 C LYS A 89 6.893 1.761 11.437 1.00 0.00 C ATOM 1367 O LYS A 89 7.710 0.897 11.187 1.00 0.00 O ATOM 1368 CB LYS A 89 7.130 2.962 13.636 1.00 0.00 C ATOM 1369 CG LYS A 89 7.867 1.730 14.173 1.00 0.00 C ATOM 1370 CD LYS A 89 7.965 1.811 15.699 1.00 0.00 C ATOM 1371 CE LYS A 89 7.316 0.570 16.321 1.00 0.00 C ATOM 1372 NZ LYS A 89 8.442 -0.370 16.594 1.00 0.00 N ATOM 0 H LYS A 89 5.891 4.601 12.388 1.00 0.00 H new ATOM 0 HA LYS A 89 8.398 3.190 11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.495 3.862 14.130 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.065 2.887 13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.339 0.822 13.881 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.865 1.673 13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.009 1.879 16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.469 2.712 16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.784 0.823 17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.588 0.125 15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.070 -1.242 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.926 -0.600 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.116 0.076 17.249 1.00 0.00 H new ATOM 1386 N PRO A 90 5.612 1.633 11.168 1.00 0.00 N ATOM 1387 CA PRO A 90 5.110 0.391 10.530 1.00 0.00 C ATOM 1388 C PRO A 90 5.521 0.314 9.056 1.00 0.00 C ATOM 1389 O PRO A 90 6.326 -0.514 8.678 1.00 0.00 O ATOM 1390 CB PRO A 90 3.595 0.487 10.682 1.00 0.00 C ATOM 1391 CG PRO A 90 3.305 1.947 10.819 1.00 0.00 C ATOM 1392 CD PRO A 90 4.529 2.597 11.413 1.00 0.00 C ATOM 0 HA PRO A 90 5.519 -0.509 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.085 0.064 9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.251 -0.066 11.556 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.071 2.384 9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.437 2.107 11.458 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.738 3.557 10.941 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.400 2.787 12.479 1.00 0.00 H new ATOM 1400 N PHE A 91 4.977 1.152 8.214 1.00 0.00 N ATOM 1401 CA PHE A 91 5.355 1.083 6.771 1.00 0.00 C ATOM 1402 C PHE A 91 6.870 0.955 6.622 1.00 0.00 C ATOM 1403 O PHE A 91 7.368 0.005 6.058 1.00 0.00 O ATOM 1404 CB PHE A 91 4.870 2.392 6.135 1.00 0.00 C ATOM 1405 CG PHE A 91 5.254 2.406 4.664 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.605 2.427 4.282 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.260 2.374 3.681 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.956 2.413 2.937 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.616 2.368 2.323 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.966 2.385 1.954 1.00 0.00 C ATOM 0 H PHE A 91 4.297 1.872 8.457 1.00 0.00 H new ATOM 0 HA PHE A 91 4.906 0.215 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.789 2.483 6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.314 3.245 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.376 2.454 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.219 2.354 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.998 2.424 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.848 2.350 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.241 2.376 0.910 1.00 0.00 H new ATOM 1420 N GLU A 92 7.605 1.921 7.091 1.00 0.00 N ATOM 1421 CA GLU A 92 9.089 1.862 6.941 1.00 0.00 C ATOM 1422 C GLU A 92 9.595 0.452 7.234 1.00 0.00 C ATOM 1423 O GLU A 92 10.183 -0.196 6.392 1.00 0.00 O ATOM 1424 CB GLU A 92 9.642 2.860 7.960 1.00 0.00 C ATOM 1425 CG GLU A 92 10.739 3.700 7.305 1.00 0.00 C ATOM 1426 CD GLU A 92 11.741 4.153 8.369 1.00 0.00 C ATOM 1427 OE1 GLU A 92 11.303 4.657 9.390 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.928 3.988 8.144 1.00 0.00 O ATOM 0 H GLU A 92 7.247 2.747 7.570 1.00 0.00 H new ATOM 0 HA GLU A 92 9.407 2.107 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.843 3.506 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.042 2.330 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.247 3.118 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.301 4.567 6.810 1.00 0.00 H new ATOM 1435 N GLU A 93 9.364 -0.031 8.418 1.00 0.00 N ATOM 1436 CA GLU A 93 9.825 -1.405 8.759 1.00 0.00 C ATOM 1437 C GLU A 93 9.365 -2.384 7.674 1.00 0.00 C ATOM 1438 O GLU A 93 9.930 -3.444 7.496 1.00 0.00 O ATOM 1439 CB GLU A 93 9.162 -1.726 10.098 1.00 0.00 C ATOM 1440 CG GLU A 93 9.378 -3.202 10.438 1.00 0.00 C ATOM 1441 CD GLU A 93 10.878 -3.494 10.538 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.444 -3.231 11.586 1.00 0.00 O ATOM 1443 OE2 GLU A 93 11.433 -3.977 9.564 1.00 0.00 O ATOM 0 H GLU A 93 8.877 0.463 9.165 1.00 0.00 H new ATOM 0 HA GLU A 93 10.910 -1.482 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.581 -1.097 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.096 -1.506 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.887 -3.444 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.925 -3.832 9.672 1.00 0.00 H new ATOM 1450 N ALA A 94 8.346 -2.025 6.941 1.00 0.00 N ATOM 1451 CA ALA A 94 7.849 -2.919 5.856 1.00 0.00 C ATOM 1452 C ALA A 94 8.844 -2.928 4.699 1.00 0.00 C ATOM 1453 O ALA A 94 9.373 -3.956 4.325 1.00 0.00 O ATOM 1454 CB ALA A 94 6.521 -2.306 5.409 1.00 0.00 C ATOM 0 H ALA A 94 7.835 -1.149 7.047 1.00 0.00 H new ATOM 0 HA ALA A 94 7.728 -3.949 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.092 -2.910 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.831 -2.278 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.692 -1.292 5.046 1.00 0.00 H new ATOM 1460 N THR A 95 9.107 -1.784 4.137 1.00 0.00 N ATOM 1461 CA THR A 95 10.076 -1.717 3.010 1.00 0.00 C ATOM 1462 C THR A 95 11.481 -2.007 3.535 1.00 0.00 C ATOM 1463 O THR A 95 12.347 -2.465 2.816 1.00 0.00 O ATOM 1464 CB THR A 95 9.979 -0.287 2.480 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.611 0.070 2.331 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.682 -0.197 1.125 1.00 0.00 C ATOM 0 H THR A 95 8.693 -0.892 4.409 1.00 0.00 H new ATOM 0 HA THR A 95 9.863 -2.445 2.227 1.00 0.00 H new ATOM 0 HB THR A 95 10.458 0.395 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.402 0.819 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.613 0.823 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.731 -0.471 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.204 -0.878 0.421 1.00 0.00 H new ATOM 1474 N TYR A 96 11.704 -1.753 4.795 1.00 0.00 N ATOM 1475 CA TYR A 96 13.042 -2.021 5.389 1.00 0.00 C ATOM 1476 C TYR A 96 13.158 -3.508 5.733 1.00 0.00 C ATOM 1477 O TYR A 96 14.239 -4.052 5.844 1.00 0.00 O ATOM 1478 CB TYR A 96 13.079 -1.182 6.668 1.00 0.00 C ATOM 1479 CG TYR A 96 13.770 0.136 6.406 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.160 0.181 6.243 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.019 1.316 6.337 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.799 1.407 6.010 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.658 2.539 6.105 1.00 0.00 C ATOM 1484 CZ TYR A 96 15.048 2.585 5.942 1.00 0.00 C ATOM 1485 OH TYR A 96 15.678 3.790 5.713 1.00 0.00 O ATOM 0 H TYR A 96 11.013 -1.370 5.441 1.00 0.00 H new ATOM 0 HA TYR A 96 13.859 -1.772 4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.065 -1.005 7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.603 -1.726 7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.740 -0.729 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.947 1.282 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.871 1.442 5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.078 3.449 6.052 1.00 0.00 H new ATOM 0 HH TYR A 96 16.482 3.641 5.173 1.00 0.00 H new ATOM 1495 N ALA A 97 12.043 -4.163 5.918 1.00 0.00 N ATOM 1496 CA ALA A 97 12.069 -5.611 6.274 1.00 0.00 C ATOM 1497 C ALA A 97 12.161 -6.492 5.022 1.00 0.00 C ATOM 1498 O ALA A 97 12.738 -7.560 5.051 1.00 0.00 O ATOM 1499 CB ALA A 97 10.743 -5.856 6.998 1.00 0.00 C ATOM 0 H ALA A 97 11.111 -3.755 5.837 1.00 0.00 H new ATOM 0 HA ALA A 97 12.936 -5.860 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.679 -6.902 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.689 -5.222 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.915 -5.618 6.331 1.00 0.00 H new ATOM 1505 N LEU A 98 11.588 -6.070 3.927 1.00 0.00 N ATOM 1506 CA LEU A 98 11.644 -6.914 2.697 1.00 0.00 C ATOM 1507 C LEU A 98 12.845 -6.541 1.823 1.00 0.00 C ATOM 1508 O LEU A 98 13.515 -5.553 2.051 1.00 0.00 O ATOM 1509 CB LEU A 98 10.339 -6.632 1.957 1.00 0.00 C ATOM 1510 CG LEU A 98 9.933 -7.877 1.168 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.530 -8.316 1.587 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.943 -7.560 -0.329 1.00 0.00 C ATOM 0 H LEU A 98 11.088 -5.186 3.830 1.00 0.00 H new ATOM 0 HA LEU A 98 11.759 -7.970 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.555 -6.364 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.464 -5.784 1.284 1.00 0.00 H new ATOM 0 HG LEU A 98 10.640 -8.681 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.243 -9.204 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.524 -8.545 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.822 -7.513 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.653 -8.448 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.238 -6.754 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.944 -7.251 -0.629 1.00 0.00 H new ATOM 1524 N LYS A 99 13.118 -7.336 0.822 1.00 0.00 N ATOM 1525 CA LYS A 99 14.273 -7.048 -0.076 1.00 0.00 C ATOM 1526 C LYS A 99 13.981 -7.563 -1.490 1.00 0.00 C ATOM 1527 O LYS A 99 14.678 -8.414 -2.007 1.00 0.00 O ATOM 1528 CB LYS A 99 15.445 -7.813 0.538 1.00 0.00 C ATOM 1529 CG LYS A 99 16.359 -6.840 1.283 1.00 0.00 C ATOM 1530 CD LYS A 99 17.737 -6.825 0.619 1.00 0.00 C ATOM 1531 CE LYS A 99 18.789 -6.383 1.637 1.00 0.00 C ATOM 1532 NZ LYS A 99 18.896 -4.909 1.459 1.00 0.00 N ATOM 0 H LYS A 99 12.588 -8.175 0.588 1.00 0.00 H new ATOM 0 HA LYS A 99 14.478 -5.981 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.075 -8.577 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.005 -8.328 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.928 -5.839 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.450 -7.137 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.979 -7.817 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.734 -6.147 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.488 -6.638 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.745 -6.874 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.600 -4.529 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.191 -4.698 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.972 -4.469 1.644 1.00 0.00 H new ATOM 1546 N VAL A 100 12.953 -7.058 -2.118 1.00 0.00 N ATOM 1547 CA VAL A 100 12.616 -7.525 -3.494 1.00 0.00 C ATOM 1548 C VAL A 100 12.401 -9.041 -3.498 1.00 0.00 C ATOM 1549 O VAL A 100 13.339 -9.811 -3.563 1.00 0.00 O ATOM 1550 CB VAL A 100 13.826 -7.152 -4.351 1.00 0.00 C ATOM 1551 CG1 VAL A 100 13.599 -7.624 -5.788 1.00 0.00 C ATOM 1552 CG2 VAL A 100 14.009 -5.634 -4.343 1.00 0.00 C ATOM 0 H VAL A 100 12.333 -6.343 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 100 11.699 -7.072 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 100 14.717 -7.630 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.462 -7.358 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.466 -8.706 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.707 -7.145 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.872 -5.368 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.116 -5.158 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.170 -5.292 -3.320 1.00 0.00 H new ATOM 1562 N GLY A 101 11.173 -9.475 -3.424 1.00 0.00 N ATOM 1563 CA GLY A 101 10.898 -10.939 -3.420 1.00 0.00 C ATOM 1564 C GLY A 101 9.780 -11.246 -2.424 1.00 0.00 C ATOM 1565 O GLY A 101 9.866 -12.174 -1.646 1.00 0.00 O ATOM 0 H GLY A 101 10.348 -8.878 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.610 -11.268 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.800 -11.488 -3.151 1.00 0.00 H new ATOM 1569 N ASP A 102 8.730 -10.473 -2.449 1.00 0.00 N ATOM 1570 CA ASP A 102 7.593 -10.709 -1.507 1.00 0.00 C ATOM 1571 C ASP A 102 6.592 -9.549 -1.577 1.00 0.00 C ATOM 1572 O ASP A 102 5.433 -9.707 -1.262 1.00 0.00 O ATOM 1573 CB ASP A 102 8.227 -10.784 -0.117 1.00 0.00 C ATOM 1574 CG ASP A 102 8.272 -12.242 0.348 1.00 0.00 C ATOM 1575 OD1 ASP A 102 7.312 -12.952 0.101 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.267 -12.623 0.943 1.00 0.00 O ATOM 0 H ASP A 102 8.607 -9.684 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 102 7.044 -11.618 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.234 -10.369 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.653 -10.184 0.589 1.00 0.00 H new ATOM 1581 N ILE A 103 7.037 -8.388 -1.989 1.00 0.00 N ATOM 1582 CA ILE A 103 6.124 -7.205 -2.090 1.00 0.00 C ATOM 1583 C ILE A 103 5.734 -6.693 -0.699 1.00 0.00 C ATOM 1584 O ILE A 103 4.574 -6.479 -0.405 1.00 0.00 O ATOM 1585 CB ILE A 103 4.893 -7.692 -2.862 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.343 -8.488 -4.093 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.070 -6.484 -3.314 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.124 -8.869 -4.938 1.00 0.00 C ATOM 0 H ILE A 103 8.003 -8.207 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 103 6.607 -6.371 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 103 4.287 -8.329 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.038 -7.895 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.876 -9.386 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.193 -6.826 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.751 -5.914 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.678 -5.850 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.449 -9.434 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.445 -9.479 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.609 -7.965 -5.262 1.00 0.00 H new ATOM 1600 N SER A 104 6.702 -6.479 0.150 1.00 0.00 N ATOM 1601 CA SER A 104 6.415 -5.959 1.523 1.00 0.00 C ATOM 1602 C SER A 104 5.200 -6.652 2.159 1.00 0.00 C ATOM 1603 O SER A 104 4.608 -6.133 3.084 1.00 0.00 O ATOM 1604 CB SER A 104 6.139 -4.468 1.321 1.00 0.00 C ATOM 1605 OG SER A 104 4.795 -4.179 1.684 1.00 0.00 O ATOM 0 H SER A 104 7.689 -6.643 -0.048 1.00 0.00 H new ATOM 0 HA SER A 104 7.247 -6.147 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.825 -3.875 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.313 -4.193 0.281 1.00 0.00 H new ATOM 0 HG SER A 104 4.640 -4.456 2.611 1.00 0.00 H new ATOM 1611 N ASP A 105 4.832 -7.818 1.690 1.00 0.00 N ATOM 1612 CA ASP A 105 3.661 -8.533 2.288 1.00 0.00 C ATOM 1613 C ASP A 105 2.543 -7.545 2.642 1.00 0.00 C ATOM 1614 O ASP A 105 2.509 -6.432 2.157 1.00 0.00 O ATOM 1615 CB ASP A 105 4.213 -9.193 3.550 1.00 0.00 C ATOM 1616 CG ASP A 105 5.294 -10.203 3.161 1.00 0.00 C ATOM 1617 OD1 ASP A 105 4.939 -11.251 2.646 1.00 0.00 O ATOM 1618 OD2 ASP A 105 6.458 -9.911 3.381 1.00 0.00 O ATOM 0 H ASP A 105 5.290 -8.306 0.920 1.00 0.00 H new ATOM 0 HA ASP A 105 3.226 -9.257 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.628 -8.438 4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.411 -9.693 4.093 1.00 0.00 H new ATOM 1623 N ILE A 106 1.625 -7.941 3.482 1.00 0.00 N ATOM 1624 CA ILE A 106 0.517 -7.003 3.854 1.00 0.00 C ATOM 1625 C ILE A 106 1.083 -5.793 4.604 1.00 0.00 C ATOM 1626 O ILE A 106 2.140 -5.857 5.200 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.455 -7.781 4.757 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.310 -8.793 5.639 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.498 -8.491 3.888 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.205 -10.215 5.065 1.00 0.00 C ATOM 0 H ILE A 106 1.590 -8.860 3.924 1.00 0.00 H new ATOM 0 HA ILE A 106 0.005 -6.636 2.964 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.964 -7.083 5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.358 -8.501 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.093 -8.775 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.188 -9.043 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.052 -7.753 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.997 -9.183 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.752 -10.907 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.843 -10.513 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.631 -10.235 4.062 1.00 0.00 H new ATOM 1642 N VAL A 107 0.388 -4.687 4.576 1.00 0.00 N ATOM 1643 CA VAL A 107 0.887 -3.472 5.283 1.00 0.00 C ATOM 1644 C VAL A 107 -0.273 -2.743 5.971 1.00 0.00 C ATOM 1645 O VAL A 107 -0.704 -1.694 5.536 1.00 0.00 O ATOM 1646 CB VAL A 107 1.491 -2.599 4.184 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.301 -1.466 4.814 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.407 -3.451 3.304 1.00 0.00 C ATOM 0 H VAL A 107 -0.504 -4.573 4.094 1.00 0.00 H new ATOM 0 HA VAL A 107 1.613 -3.714 6.059 1.00 0.00 H new ATOM 0 HB VAL A 107 0.690 -2.176 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.731 -0.845 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.649 -0.858 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.102 -1.886 5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.839 -2.830 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.206 -3.874 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.830 -4.258 2.852 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.780 -3.292 7.042 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.911 -2.632 7.758 1.00 0.00 C ATOM 1660 C ASP A 108 -1.427 -1.361 8.461 1.00 0.00 C ATOM 1661 O ASP A 108 -0.769 -1.413 9.481 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.398 -3.663 8.778 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.208 -4.219 9.563 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.380 -4.880 8.957 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.144 -3.974 10.756 1.00 0.00 O ATOM 0 H ASP A 108 -0.460 -4.169 7.453 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.707 -2.331 7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.113 -3.203 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.920 -4.473 8.269 1.00 0.00 H new ATOM 1670 N THR A 109 -1.756 -0.218 7.921 1.00 0.00 N ATOM 1671 CA THR A 109 -1.329 1.064 8.550 1.00 0.00 C ATOM 1672 C THR A 109 -2.472 2.074 8.459 1.00 0.00 C ATOM 1673 O THR A 109 -3.605 1.715 8.205 1.00 0.00 O ATOM 1674 CB THR A 109 -0.134 1.541 7.719 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.472 1.494 6.338 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.074 0.641 7.980 1.00 0.00 C ATOM 0 H THR A 109 -2.305 -0.118 7.067 1.00 0.00 H new ATOM 0 HA THR A 109 -1.068 0.949 9.602 1.00 0.00 H new ATOM 0 HB THR A 109 0.116 2.564 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.291 1.800 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.920 0.986 7.386 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.334 0.679 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.830 -0.385 7.703 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.191 3.333 8.647 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.276 4.347 8.548 1.00 0.00 C ATOM 1686 C ASP A 110 -4.117 4.059 7.304 1.00 0.00 C ATOM 1687 O ASP A 110 -3.679 3.375 6.401 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.556 5.689 8.420 1.00 0.00 C ATOM 1689 CG ASP A 110 -1.812 5.743 7.085 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -2.473 5.825 6.063 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.593 5.702 7.107 1.00 0.00 O ATOM 0 H ASP A 110 -1.265 3.701 8.863 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.948 4.338 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.274 6.507 8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.855 5.818 9.245 1.00 0.00 H new ATOM 1696 N SER A 111 -5.319 4.560 7.247 1.00 0.00 N ATOM 1697 CA SER A 111 -6.181 4.297 6.056 1.00 0.00 C ATOM 1698 C SER A 111 -6.582 2.819 6.004 1.00 0.00 C ATOM 1699 O SER A 111 -7.751 2.485 5.983 1.00 0.00 O ATOM 1700 CB SER A 111 -5.323 4.667 4.845 1.00 0.00 C ATOM 1701 OG SER A 111 -4.605 5.863 5.124 1.00 0.00 O ATOM 0 H SER A 111 -5.743 5.140 7.971 1.00 0.00 H new ATOM 0 HA SER A 111 -7.106 4.874 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.629 3.858 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.954 4.805 3.967 1.00 0.00 H new ATOM 0 HG SER A 111 -3.660 5.650 5.270 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.626 1.931 5.985 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.963 0.478 5.937 1.00 0.00 C ATOM 1709 C GLY A 112 -4.703 -0.339 5.637 1.00 0.00 C ATOM 1710 O GLY A 112 -3.621 -0.017 6.086 1.00 0.00 O ATOM 0 H GLY A 112 -4.629 2.147 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.393 0.164 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.716 0.296 5.171 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.838 -1.396 4.883 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.649 -2.237 4.556 1.00 0.00 C ATOM 1716 C VAL A 113 -3.111 -1.880 3.169 1.00 0.00 C ATOM 1717 O VAL A 113 -3.857 -1.720 2.223 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.156 -3.681 4.593 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.490 -4.072 6.033 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.413 -3.808 3.732 1.00 0.00 C ATOM 0 H VAL A 113 -5.719 -1.714 4.479 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.829 -2.082 5.257 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.381 -4.342 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.851 -5.100 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.595 -3.987 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.262 -3.408 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.771 -4.837 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.187 -3.144 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.179 -3.534 2.703 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.818 -1.745 3.045 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.228 -1.389 1.724 1.00 0.00 C ATOM 1732 C HIS A 114 -0.228 -2.459 1.270 1.00 0.00 C ATOM 1733 O HIS A 114 0.094 -3.381 1.993 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.492 -0.063 1.953 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.349 0.902 2.729 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.512 2.220 2.329 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.074 0.771 3.890 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.305 2.824 3.232 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.676 1.987 4.205 1.00 0.00 N ATOM 0 H HIS A 114 -1.145 -1.866 3.802 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.995 -1.314 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.436 -0.247 2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.220 0.377 0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.163 -0.136 4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.605 3.860 3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.272 2.194 5.006 1.00 0.00 H new ATOM 1747 N ILE A 115 0.277 -2.320 0.077 1.00 0.00 N ATOM 1748 CA ILE A 115 1.280 -3.295 -0.450 1.00 0.00 C ATOM 1749 C ILE A 115 2.394 -2.511 -1.140 1.00 0.00 C ATOM 1750 O ILE A 115 2.158 -1.817 -2.106 1.00 0.00 O ATOM 1751 CB ILE A 115 0.525 -4.163 -1.455 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.406 -3.283 -2.291 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.299 -5.209 -0.706 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.746 -3.994 -3.600 1.00 0.00 C ATOM 0 H ILE A 115 0.037 -1.565 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 115 1.729 -3.910 0.330 1.00 0.00 H new ATOM 0 HB ILE A 115 1.238 -4.663 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.318 -3.070 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.072 -2.326 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.838 -5.829 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.364 -5.836 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.012 -4.709 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.409 -3.365 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.170 -4.185 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.242 -4.940 -3.382 1.00 0.00 H new ATOM 1766 N ILE A 116 3.595 -2.580 -0.635 1.00 0.00 N ATOM 1767 CA ILE A 116 4.701 -1.791 -1.250 1.00 0.00 C ATOM 1768 C ILE A 116 5.607 -2.645 -2.138 1.00 0.00 C ATOM 1769 O ILE A 116 5.627 -3.858 -2.058 1.00 0.00 O ATOM 1770 CB ILE A 116 5.488 -1.252 -0.060 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.638 -0.218 0.676 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.785 -0.600 -0.545 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.580 -0.578 2.160 1.00 0.00 C ATOM 0 H ILE A 116 3.858 -3.145 0.172 1.00 0.00 H new ATOM 0 HA ILE A 116 4.310 -1.009 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 116 5.734 -2.073 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.063 0.777 0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.632 -0.192 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.342 -0.217 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.390 -1.339 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.549 0.222 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.974 0.157 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.136 -1.566 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.589 -0.582 2.573 1.00 0.00 H new ATOM 1785 N LYS A 117 6.370 -1.995 -2.976 1.00 0.00 N ATOM 1786 CA LYS A 117 7.307 -2.718 -3.882 1.00 0.00 C ATOM 1787 C LYS A 117 8.630 -1.947 -3.958 1.00 0.00 C ATOM 1788 O LYS A 117 8.742 -0.848 -3.449 1.00 0.00 O ATOM 1789 CB LYS A 117 6.617 -2.729 -5.246 1.00 0.00 C ATOM 1790 CG LYS A 117 5.525 -3.801 -5.263 1.00 0.00 C ATOM 1791 CD LYS A 117 5.204 -4.177 -6.712 1.00 0.00 C ATOM 1792 CE LYS A 117 4.974 -2.905 -7.532 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.983 -3.353 -8.953 1.00 0.00 N ATOM 0 H LYS A 117 6.383 -0.980 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 117 7.531 -3.728 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.183 -1.751 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.346 -2.927 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.856 -4.681 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.629 -3.431 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 117 6.024 -4.754 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.317 -4.810 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.025 -2.435 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.756 -2.169 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.831 -2.534 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.901 -3.790 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.224 -4.048 -9.103 1.00 0.00 H new ATOM 1807 N ARG A 118 9.632 -2.502 -4.584 1.00 0.00 N ATOM 1808 CA ARG A 118 10.934 -1.778 -4.677 1.00 0.00 C ATOM 1809 C ARG A 118 11.606 -2.046 -6.027 1.00 0.00 C ATOM 1810 O ARG A 118 11.855 -1.139 -6.796 1.00 0.00 O ATOM 1811 CB ARG A 118 11.785 -2.336 -3.535 1.00 0.00 C ATOM 1812 CG ARG A 118 12.740 -1.250 -3.033 1.00 0.00 C ATOM 1813 CD ARG A 118 14.181 -1.756 -3.118 1.00 0.00 C ATOM 1814 NE ARG A 118 14.819 -1.313 -1.848 1.00 0.00 N ATOM 1815 CZ ARG A 118 16.119 -1.317 -1.733 1.00 0.00 C ATOM 1816 NH1 ARG A 118 16.737 -2.402 -1.352 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.801 -0.237 -1.998 1.00 0.00 N ATOM 0 H ARG A 118 9.608 -3.418 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 118 10.805 -0.698 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.144 -2.676 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.350 -3.202 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.625 -0.346 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.497 -0.985 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.213 -2.841 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.695 -1.340 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 118 14.239 -1.006 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 118 16.204 -3.246 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 118 17.753 -2.405 -1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.318 0.611 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.817 -0.240 -1.908 1.00 0.00 H new ATOM 1831 N THR A 119 11.907 -3.281 -6.319 1.00 0.00 N ATOM 1832 CA THR A 119 12.567 -3.597 -7.618 1.00 0.00 C ATOM 1833 C THR A 119 11.976 -4.877 -8.217 1.00 0.00 C ATOM 1834 O THR A 119 10.960 -4.848 -8.882 1.00 0.00 O ATOM 1835 CB THR A 119 14.047 -3.788 -7.273 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.575 -2.567 -6.774 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.816 -4.204 -8.527 1.00 0.00 C ATOM 0 H THR A 119 11.725 -4.084 -5.716 1.00 0.00 H new ATOM 0 HA THR A 119 12.422 -2.811 -8.359 1.00 0.00 H new ATOM 0 HB THR A 119 14.147 -4.565 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.522 -2.687 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.869 -4.339 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.410 -5.140 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.719 -3.429 -9.287 1.00 0.00 H new ATOM 1845 N ALA A 120 12.601 -5.999 -7.987 1.00 0.00 N ATOM 1846 CA ALA A 120 12.070 -7.275 -8.545 1.00 0.00 C ATOM 1847 C ALA A 120 11.982 -7.190 -10.071 1.00 0.00 C ATOM 1848 O ALA A 120 12.381 -6.171 -10.611 1.00 0.00 O ATOM 1849 CB ALA A 120 10.677 -7.421 -7.934 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.515 -8.143 -10.672 1.00 0.00 O ATOM 0 H ALA A 120 13.456 -6.088 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 120 12.709 -8.127 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.215 -8.340 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.758 -7.459 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.062 -6.568 -8.222 1.00 0.00 H new