USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 892 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 NoAdj-H: B 219 HIS HD1 : B 219 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ -160:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.669 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.639 USER MOD Set 3.1: A 1 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Set 3.2: A -1 SER OG : rot 42:sc= 0.145 USER MOD Single : A 0 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-0.89) USER MOD Single : A 2 GLN : amide:sc= -0.115 K(o=-0.11,f=-3.7!) USER MOD Single : A -2 GLY N :NH3+ -142:sc= 0 (180deg=-0.968) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= -0.0293 (180deg=-0.113) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -37:sc= 0.35 USER MOD Single : A 22 THR OG1 : rot 33:sc= -0.0258 USER MOD Single : A 25 ASN : amide:sc= -0.102 K(o=-0.1,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.183 (180deg=-0.903) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0.433 (180deg=0.372) USER MOD Single : A 40 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= -2.72! C(o=-2.7!,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.818 K(o=-0.82,f=-3.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00835 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.125 USER MOD Single : A 60 ASN : amide:sc=-0.00565 X(o=-0.0057,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.0455 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 196 SER OG : rot 84:sc= 0.645 USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 200 THR OG1 : rot 91:sc= 0.0978 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= 0.298 K(o=0.3,f=-0.29) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= -0.0247 K(o=-0.025,f=-0.71) USER MOD Single : B 217 ASN : amide:sc= -0.0391 K(o=-0.039,f=-2.1) USER MOD Single : B 218 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0184) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 1.214 1.062 3.262 1.00 0.00 N ATOM 2 CA GLY A -2 2.178 0.263 2.487 1.00 0.00 C ATOM 3 C GLY A -2 3.366 1.090 2.017 1.00 0.00 C ATOM 4 O GLY A -2 4.438 1.067 2.638 1.00 0.00 O ATOM 0 H1 GLY A -2 0.838 0.489 4.044 1.00 0.00 H new ATOM 0 H2 GLY A -2 1.690 1.903 3.646 1.00 0.00 H new ATOM 0 H3 GLY A -2 0.432 1.359 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A -2 2.534 -0.566 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A -2 1.675 -0.171 1.623 1.00 0.00 H new ATOM 10 N SER A -1 3.161 1.833 0.918 1.00 0.00 N ATOM 11 CA SER A -1 4.212 2.627 0.261 1.00 0.00 C ATOM 12 C SER A -1 4.597 3.858 1.111 1.00 0.00 C ATOM 13 O SER A -1 3.834 4.825 1.207 1.00 0.00 O ATOM 14 CB SER A -1 3.728 3.035 -1.149 1.00 0.00 C ATOM 15 OG SER A -1 2.438 3.627 -1.098 1.00 0.00 O ATOM 0 H SER A -1 2.254 1.900 0.456 1.00 0.00 H new ATOM 0 HA SER A -1 5.114 2.023 0.163 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.436 3.737 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.703 2.158 -1.796 1.00 0.00 H new ATOM 0 HG SER A -1 2.389 4.240 -0.335 1.00 0.00 H new ATOM 21 N HIS A 0 5.797 3.802 1.718 1.00 0.00 N ATOM 22 CA HIS A 0 6.283 4.839 2.643 1.00 0.00 C ATOM 23 C HIS A 0 6.744 6.106 1.865 1.00 0.00 C ATOM 24 O HIS A 0 7.879 6.196 1.389 1.00 0.00 O ATOM 25 CB HIS A 0 7.409 4.261 3.567 1.00 0.00 C ATOM 26 CG HIS A 0 8.694 3.851 2.875 1.00 0.00 C ATOM 27 ND1 HIS A 0 9.809 4.662 2.829 1.00 0.00 N ATOM 28 CD2 HIS A 0 9.025 2.737 2.178 1.00 0.00 C ATOM 29 CE1 HIS A 0 10.755 4.073 2.137 1.00 0.00 C ATOM 30 NE2 HIS A 0 10.310 2.905 1.725 1.00 0.00 N ATOM 0 H HIS A 0 6.456 3.036 1.580 1.00 0.00 H new ATOM 0 HA HIS A 0 5.462 5.150 3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 0 7.650 5.008 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 0 7.010 3.393 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 0 8.395 1.876 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 0 11.736 4.479 1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 0 10.834 2.235 1.162 1.00 0.00 H new ATOM 39 N MET A 1 5.811 7.056 1.680 1.00 0.00 N ATOM 40 CA MET A 1 6.120 8.383 1.092 1.00 0.00 C ATOM 41 C MET A 1 6.742 9.267 2.188 1.00 0.00 C ATOM 42 O MET A 1 6.545 9.015 3.375 1.00 0.00 O ATOM 43 CB MET A 1 4.839 9.069 0.520 1.00 0.00 C ATOM 44 CG MET A 1 3.958 8.165 -0.352 1.00 0.00 C ATOM 45 SD MET A 1 4.834 7.456 -1.759 1.00 0.00 S ATOM 46 CE MET A 1 3.518 6.524 -2.548 1.00 0.00 C ATOM 0 H MET A 1 4.829 6.934 1.929 1.00 0.00 H new ATOM 0 HA MET A 1 6.817 8.250 0.264 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.241 9.441 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.140 9.935 -0.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.558 7.358 0.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.107 8.741 -0.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.950 5.753 -3.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.895 6.057 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.909 7.196 -3.153 1.00 0.00 H new ATOM 56 N GLN A 2 7.480 10.301 1.803 1.00 0.00 N ATOM 57 CA GLN A 2 8.146 11.191 2.771 1.00 0.00 C ATOM 58 C GLN A 2 7.475 12.563 2.813 1.00 0.00 C ATOM 59 O GLN A 2 7.028 13.069 1.789 1.00 0.00 O ATOM 60 CB GLN A 2 9.665 11.322 2.482 1.00 0.00 C ATOM 61 CG GLN A 2 10.499 10.048 2.776 1.00 0.00 C ATOM 62 CD GLN A 2 10.620 9.055 1.612 1.00 0.00 C ATOM 63 OE1 GLN A 2 9.748 8.948 0.747 1.00 0.00 O ATOM 64 NE2 GLN A 2 11.716 8.316 1.591 1.00 0.00 N ATOM 0 H GLN A 2 7.638 10.552 0.827 1.00 0.00 H new ATOM 0 HA GLN A 2 8.040 10.734 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.799 11.592 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.063 12.144 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.501 10.352 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.054 9.532 3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.420 8.427 2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.858 7.635 0.845 1.00 0.00 H new ATOM 73 N ILE A 3 7.393 13.125 4.033 1.00 0.00 N ATOM 74 CA ILE A 3 6.893 14.494 4.300 1.00 0.00 C ATOM 75 C ILE A 3 7.816 15.169 5.329 1.00 0.00 C ATOM 76 O ILE A 3 8.540 14.489 6.076 1.00 0.00 O ATOM 77 CB ILE A 3 5.386 14.555 4.815 1.00 0.00 C ATOM 78 CG1 ILE A 3 5.139 13.639 6.072 1.00 0.00 C ATOM 79 CG2 ILE A 3 4.386 14.234 3.675 1.00 0.00 C ATOM 80 CD1 ILE A 3 5.065 12.138 5.793 1.00 0.00 C ATOM 0 H ILE A 3 7.677 12.634 4.880 1.00 0.00 H new ATOM 0 HA ILE A 3 6.903 15.020 3.345 1.00 0.00 H new ATOM 0 HB ILE A 3 5.208 15.581 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.938 13.817 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.208 13.948 6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.367 14.284 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.506 14.960 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.580 13.232 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.893 11.602 6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.246 11.936 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.003 11.803 5.351 1.00 0.00 H new ATOM 92 N PHE A 4 7.773 16.511 5.362 1.00 0.00 N ATOM 93 CA PHE A 4 8.658 17.331 6.207 1.00 0.00 C ATOM 94 C PHE A 4 7.851 17.966 7.350 1.00 0.00 C ATOM 95 O PHE A 4 7.069 18.888 7.133 1.00 0.00 O ATOM 96 CB PHE A 4 9.346 18.434 5.357 1.00 0.00 C ATOM 97 CG PHE A 4 10.199 17.910 4.197 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.508 17.482 4.416 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.693 17.843 2.898 1.00 0.00 C ATOM 100 CE1 PHE A 4 12.288 17.019 3.375 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.476 17.379 1.856 1.00 0.00 C ATOM 102 CZ PHE A 4 11.770 16.962 2.096 1.00 0.00 C ATOM 0 H PHE A 4 7.121 17.060 4.801 1.00 0.00 H new ATOM 0 HA PHE A 4 9.430 16.690 6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.579 19.096 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.977 19.037 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.918 17.513 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.678 18.157 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.303 16.701 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.075 17.343 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.377 16.591 1.284 1.00 0.00 H new ATOM 112 N VAL A 5 8.029 17.441 8.560 1.00 0.00 N ATOM 113 CA VAL A 5 7.459 18.009 9.787 1.00 0.00 C ATOM 114 C VAL A 5 8.528 18.902 10.437 1.00 0.00 C ATOM 115 O VAL A 5 9.579 18.427 10.849 1.00 0.00 O ATOM 116 CB VAL A 5 6.958 16.857 10.751 1.00 0.00 C ATOM 117 CG1 VAL A 5 6.954 17.274 12.228 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.542 16.365 10.329 1.00 0.00 C ATOM 0 H VAL A 5 8.580 16.598 8.722 1.00 0.00 H new ATOM 0 HA VAL A 5 6.583 18.618 9.564 1.00 0.00 H new ATOM 0 HB VAL A 5 7.671 16.039 10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.601 16.444 12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.965 17.545 12.532 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.293 18.130 12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.216 15.574 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.839 17.196 10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.579 15.980 9.310 1.00 0.00 H new ATOM 128 N LYS A 6 8.247 20.199 10.492 1.00 0.00 N ATOM 129 CA LYS A 6 9.187 21.212 10.966 1.00 0.00 C ATOM 130 C LYS A 6 8.813 21.622 12.398 1.00 0.00 C ATOM 131 O LYS A 6 7.756 22.229 12.596 1.00 0.00 O ATOM 132 CB LYS A 6 9.120 22.459 10.031 1.00 0.00 C ATOM 133 CG LYS A 6 10.309 23.428 10.195 1.00 0.00 C ATOM 134 CD LYS A 6 11.586 22.907 9.498 1.00 0.00 C ATOM 135 CE LYS A 6 12.807 23.792 9.763 1.00 0.00 C ATOM 136 NZ LYS A 6 14.007 23.359 9.000 1.00 0.00 N ATOM 0 H LYS A 6 7.347 20.583 10.205 1.00 0.00 H new ATOM 0 HA LYS A 6 10.199 20.806 10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.079 22.122 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.194 22.999 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.043 24.401 9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.511 23.577 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.795 21.894 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.411 22.849 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.567 24.822 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.035 23.779 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.862 23.748 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.060 22.320 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.940 23.705 8.022 1.00 0.00 H new ATOM 150 N THR A 7 9.671 21.300 13.388 1.00 0.00 N ATOM 151 CA THR A 7 9.471 21.751 14.774 1.00 0.00 C ATOM 152 C THR A 7 9.678 23.267 14.878 1.00 0.00 C ATOM 153 O THR A 7 10.356 23.878 14.032 1.00 0.00 O ATOM 154 CB THR A 7 10.424 21.031 15.784 1.00 0.00 C ATOM 155 OG1 THR A 7 11.772 21.084 15.311 1.00 0.00 O ATOM 156 CG2 THR A 7 10.012 19.578 16.038 1.00 0.00 C ATOM 0 H THR A 7 10.506 20.731 13.250 1.00 0.00 H new ATOM 0 HA THR A 7 8.446 21.493 15.040 1.00 0.00 H new ATOM 0 HB THR A 7 10.348 21.560 16.734 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.333 21.540 15.972 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.704 19.122 16.746 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.003 19.553 16.450 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.035 19.024 15.100 1.00 0.00 H new ATOM 164 N LEU A 8 9.095 23.858 15.931 1.00 0.00 N ATOM 165 CA LEU A 8 9.259 25.290 16.261 1.00 0.00 C ATOM 166 C LEU A 8 10.734 25.662 16.489 1.00 0.00 C ATOM 167 O LEU A 8 11.138 26.796 16.249 1.00 0.00 O ATOM 168 CB LEU A 8 8.429 25.624 17.523 1.00 0.00 C ATOM 169 CG LEU A 8 6.892 25.437 17.387 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.186 25.672 18.738 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.317 26.350 16.280 1.00 0.00 C ATOM 0 H LEU A 8 8.492 23.357 16.584 1.00 0.00 H new ATOM 0 HA LEU A 8 8.902 25.875 15.413 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.781 24.999 18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.627 26.659 17.803 1.00 0.00 H new ATOM 0 HG LEU A 8 6.702 24.405 17.091 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.112 25.535 18.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.561 24.960 19.473 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.386 26.687 19.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.240 26.199 16.206 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.521 27.392 16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.784 26.104 15.326 1.00 0.00 H new ATOM 183 N THR A 9 11.537 24.664 16.877 1.00 0.00 N ATOM 184 CA THR A 9 12.954 24.846 17.210 1.00 0.00 C ATOM 185 C THR A 9 13.838 24.940 15.937 1.00 0.00 C ATOM 186 O THR A 9 15.065 25.035 16.035 1.00 0.00 O ATOM 187 CB THR A 9 13.422 23.668 18.123 1.00 0.00 C ATOM 188 OG1 THR A 9 13.251 22.415 17.431 1.00 0.00 O ATOM 189 CG2 THR A 9 12.626 23.626 19.443 1.00 0.00 C ATOM 0 H THR A 9 11.218 23.699 16.969 1.00 0.00 H new ATOM 0 HA THR A 9 13.066 25.790 17.744 1.00 0.00 H new ATOM 0 HB THR A 9 14.474 23.828 18.358 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.547 21.680 18.007 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.978 22.794 20.054 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.770 24.561 19.985 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.566 23.493 19.225 1.00 0.00 H new ATOM 197 N GLY A 10 13.190 24.908 14.751 1.00 0.00 N ATOM 198 CA GLY A 10 13.868 25.093 13.465 1.00 0.00 C ATOM 199 C GLY A 10 14.474 23.809 12.919 1.00 0.00 C ATOM 200 O GLY A 10 15.266 23.847 11.969 1.00 0.00 O ATOM 0 H GLY A 10 12.185 24.753 14.667 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.157 25.489 12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.655 25.839 13.580 1.00 0.00 H new ATOM 204 N LYS A 11 14.098 22.673 13.524 1.00 0.00 N ATOM 205 CA LYS A 11 14.547 21.333 13.112 1.00 0.00 C ATOM 206 C LYS A 11 13.507 20.688 12.172 1.00 0.00 C ATOM 207 O LYS A 11 12.310 20.950 12.288 1.00 0.00 O ATOM 208 CB LYS A 11 14.838 20.471 14.387 1.00 0.00 C ATOM 209 CG LYS A 11 14.509 18.970 14.285 1.00 0.00 C ATOM 210 CD LYS A 11 14.918 18.182 15.549 1.00 0.00 C ATOM 211 CE LYS A 11 14.470 16.717 15.490 1.00 0.00 C ATOM 212 NZ LYS A 11 14.958 16.020 14.267 1.00 0.00 N ATOM 0 H LYS A 11 13.465 22.658 14.324 1.00 0.00 H new ATOM 0 HA LYS A 11 15.475 21.401 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.894 20.574 14.636 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.272 20.890 15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.439 18.848 14.116 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.019 18.549 13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.001 18.224 15.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.483 18.658 16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.835 16.193 16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.381 16.672 15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.701 15.013 14.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.522 16.449 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.992 16.111 14.205 1.00 0.00 H new ATOM 226 N THR A 12 13.991 19.861 11.222 1.00 0.00 N ATOM 227 CA THR A 12 13.135 19.123 10.266 1.00 0.00 C ATOM 228 C THR A 12 13.125 17.622 10.626 1.00 0.00 C ATOM 229 O THR A 12 14.144 17.057 11.051 1.00 0.00 O ATOM 230 CB THR A 12 13.619 19.312 8.789 1.00 0.00 C ATOM 231 OG1 THR A 12 13.663 20.704 8.477 1.00 0.00 O ATOM 232 CG2 THR A 12 12.695 18.597 7.772 1.00 0.00 C ATOM 0 H THR A 12 14.988 19.685 11.095 1.00 0.00 H new ATOM 0 HA THR A 12 12.126 19.528 10.340 1.00 0.00 H new ATOM 0 HB THR A 12 14.611 18.866 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.968 20.823 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.072 18.758 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.676 17.529 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.686 19.001 7.851 1.00 0.00 H new ATOM 240 N ILE A 13 11.944 17.014 10.487 1.00 0.00 N ATOM 241 CA ILE A 13 11.699 15.584 10.756 1.00 0.00 C ATOM 242 C ILE A 13 11.067 14.967 9.500 1.00 0.00 C ATOM 243 O ILE A 13 9.973 15.360 9.100 1.00 0.00 O ATOM 244 CB ILE A 13 10.758 15.362 12.017 1.00 0.00 C ATOM 245 CG1 ILE A 13 11.393 15.968 13.314 1.00 0.00 C ATOM 246 CG2 ILE A 13 10.444 13.869 12.232 1.00 0.00 C ATOM 247 CD1 ILE A 13 11.136 17.449 13.520 1.00 0.00 C ATOM 0 H ILE A 13 11.108 17.509 10.177 1.00 0.00 H new ATOM 0 HA ILE A 13 12.647 15.100 10.990 1.00 0.00 H new ATOM 0 HB ILE A 13 9.823 15.883 11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.009 15.424 14.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.470 15.802 13.286 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.798 13.755 13.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.939 13.473 11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.372 13.322 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.615 17.776 14.443 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.546 18.010 12.680 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.063 17.626 13.585 1.00 0.00 H new ATOM 259 N THR A 14 11.779 14.029 8.869 1.00 0.00 N ATOM 260 CA THR A 14 11.307 13.332 7.667 1.00 0.00 C ATOM 261 C THR A 14 10.585 12.049 8.093 1.00 0.00 C ATOM 262 O THR A 14 11.195 11.186 8.721 1.00 0.00 O ATOM 263 CB THR A 14 12.510 12.992 6.720 1.00 0.00 C ATOM 264 OG1 THR A 14 13.236 14.197 6.443 1.00 0.00 O ATOM 265 CG2 THR A 14 12.055 12.343 5.391 1.00 0.00 C ATOM 0 H THR A 14 12.704 13.730 9.178 1.00 0.00 H new ATOM 0 HA THR A 14 10.620 13.976 7.118 1.00 0.00 H new ATOM 0 HB THR A 14 13.142 12.265 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.992 13.995 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.927 12.128 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.523 11.415 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.394 13.027 4.860 1.00 0.00 H new ATOM 273 N LEU A 15 9.280 11.948 7.781 1.00 0.00 N ATOM 274 CA LEU A 15 8.459 10.761 8.124 1.00 0.00 C ATOM 275 C LEU A 15 8.246 9.933 6.873 1.00 0.00 C ATOM 276 O LEU A 15 8.295 10.460 5.764 1.00 0.00 O ATOM 277 CB LEU A 15 7.065 11.128 8.720 1.00 0.00 C ATOM 278 CG LEU A 15 7.059 12.086 9.941 1.00 0.00 C ATOM 279 CD1 LEU A 15 8.077 11.656 11.006 1.00 0.00 C ATOM 280 CD2 LEU A 15 7.283 13.536 9.502 1.00 0.00 C ATOM 0 H LEU A 15 8.764 12.677 7.288 1.00 0.00 H new ATOM 0 HA LEU A 15 9.004 10.207 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.466 11.580 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.565 10.204 9.010 1.00 0.00 H new ATOM 0 HG LEU A 15 6.073 12.026 10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.042 12.352 11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.835 10.653 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.078 11.658 10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.274 14.186 10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.246 13.619 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.489 13.836 8.819 1.00 0.00 H new ATOM 292 N GLU A 16 7.978 8.641 7.072 1.00 0.00 N ATOM 293 CA GLU A 16 7.796 7.680 5.983 1.00 0.00 C ATOM 294 C GLU A 16 6.419 7.001 6.132 1.00 0.00 C ATOM 295 O GLU A 16 6.297 5.919 6.719 1.00 0.00 O ATOM 296 CB GLU A 16 8.966 6.660 5.983 1.00 0.00 C ATOM 297 CG GLU A 16 10.354 7.301 5.794 1.00 0.00 C ATOM 298 CD GLU A 16 11.493 6.278 5.792 1.00 0.00 C ATOM 299 OE1 GLU A 16 11.978 5.912 6.890 1.00 0.00 O ATOM 300 OE2 GLU A 16 11.900 5.819 4.703 1.00 0.00 O ATOM 0 H GLU A 16 7.881 8.229 8.000 1.00 0.00 H new ATOM 0 HA GLU A 16 7.813 8.186 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.956 6.110 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.801 5.933 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.368 7.853 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.525 8.025 6.591 1.00 0.00 H new ATOM 307 N VAL A 17 5.380 7.707 5.636 1.00 0.00 N ATOM 308 CA VAL A 17 3.963 7.262 5.664 1.00 0.00 C ATOM 309 C VAL A 17 3.317 7.642 4.312 1.00 0.00 C ATOM 310 O VAL A 17 3.952 8.264 3.476 1.00 0.00 O ATOM 311 CB VAL A 17 3.129 7.932 6.842 1.00 0.00 C ATOM 312 CG1 VAL A 17 3.816 7.791 8.223 1.00 0.00 C ATOM 313 CG2 VAL A 17 2.807 9.412 6.538 1.00 0.00 C ATOM 0 H VAL A 17 5.501 8.619 5.196 1.00 0.00 H new ATOM 0 HA VAL A 17 3.950 6.186 5.835 1.00 0.00 H new ATOM 0 HB VAL A 17 2.190 7.381 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.200 8.267 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.938 6.735 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.794 8.272 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.237 9.837 7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.736 9.968 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.221 9.476 5.621 1.00 0.00 H new ATOM 323 N GLU A 18 2.043 7.311 4.119 1.00 0.00 N ATOM 324 CA GLU A 18 1.304 7.699 2.894 1.00 0.00 C ATOM 325 C GLU A 18 0.503 8.992 3.175 1.00 0.00 C ATOM 326 O GLU A 18 0.156 9.257 4.335 1.00 0.00 O ATOM 327 CB GLU A 18 0.364 6.540 2.455 1.00 0.00 C ATOM 328 CG GLU A 18 0.982 5.159 2.680 1.00 0.00 C ATOM 329 CD GLU A 18 0.117 3.995 2.196 1.00 0.00 C ATOM 330 OE1 GLU A 18 -0.941 3.736 2.807 1.00 0.00 O ATOM 331 OE2 GLU A 18 0.499 3.306 1.224 1.00 0.00 O ATOM 0 H GLU A 18 1.490 6.775 4.788 1.00 0.00 H new ATOM 0 HA GLU A 18 2.003 7.891 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.573 6.608 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.120 6.656 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.944 5.117 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.179 5.031 3.744 1.00 0.00 H new ATOM 338 N PRO A 19 0.212 9.840 2.135 1.00 0.00 N ATOM 339 CA PRO A 19 -0.702 10.994 2.293 1.00 0.00 C ATOM 340 C PRO A 19 -2.122 10.531 2.687 1.00 0.00 C ATOM 341 O PRO A 19 -2.812 11.209 3.439 1.00 0.00 O ATOM 342 CB PRO A 19 -0.665 11.695 0.906 1.00 0.00 C ATOM 343 CG PRO A 19 -0.200 10.626 -0.038 1.00 0.00 C ATOM 344 CD PRO A 19 0.765 9.775 0.754 1.00 0.00 C ATOM 0 HA PRO A 19 -0.403 11.670 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.648 12.073 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.015 12.547 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.039 10.032 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.286 11.059 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.800 8.751 0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.781 10.167 0.707 1.00 0.00 H new ATOM 352 N SER A 20 -2.518 9.321 2.233 1.00 0.00 N ATOM 353 CA SER A 20 -3.867 8.769 2.480 1.00 0.00 C ATOM 354 C SER A 20 -3.808 7.710 3.606 1.00 0.00 C ATOM 355 O SER A 20 -4.740 6.911 3.771 1.00 0.00 O ATOM 356 CB SER A 20 -4.436 8.179 1.157 1.00 0.00 C ATOM 357 OG SER A 20 -5.799 7.786 1.277 1.00 0.00 O ATOM 0 H SER A 20 -1.915 8.704 1.689 1.00 0.00 H new ATOM 0 HA SER A 20 -4.538 9.561 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.344 8.920 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.838 7.318 0.860 1.00 0.00 H new ATOM 0 HG SER A 20 -5.954 7.411 2.169 1.00 0.00 H new ATOM 363 N ASP A 21 -2.718 7.748 4.416 1.00 0.00 N ATOM 364 CA ASP A 21 -2.506 6.801 5.528 1.00 0.00 C ATOM 365 C ASP A 21 -3.325 7.261 6.763 1.00 0.00 C ATOM 366 O ASP A 21 -4.482 6.866 6.895 1.00 0.00 O ATOM 367 CB ASP A 21 -0.992 6.683 5.839 1.00 0.00 C ATOM 368 CG ASP A 21 -0.639 5.515 6.766 1.00 0.00 C ATOM 369 OD1 ASP A 21 -0.457 4.379 6.270 1.00 0.00 O ATOM 370 OD2 ASP A 21 -0.534 5.719 7.984 1.00 0.00 O ATOM 0 H ASP A 21 -1.970 8.433 4.313 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.858 5.808 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.446 6.569 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.651 7.612 6.295 1.00 0.00 H new ATOM 375 N THR A 22 -2.724 8.132 7.630 1.00 0.00 N ATOM 376 CA THR A 22 -3.402 8.770 8.789 1.00 0.00 C ATOM 377 C THR A 22 -2.399 9.640 9.581 1.00 0.00 C ATOM 378 O THR A 22 -1.206 9.311 9.665 1.00 0.00 O ATOM 379 CB THR A 22 -4.108 7.748 9.771 1.00 0.00 C ATOM 380 OG1 THR A 22 -4.701 8.456 10.869 1.00 0.00 O ATOM 381 CG2 THR A 22 -3.151 6.675 10.314 1.00 0.00 C ATOM 0 H THR A 22 -1.747 8.409 7.538 1.00 0.00 H new ATOM 0 HA THR A 22 -4.195 9.386 8.364 1.00 0.00 H new ATOM 0 HB THR A 22 -4.873 7.234 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.009 9.335 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.695 6.006 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.737 6.103 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.341 7.154 10.863 1.00 0.00 H new ATOM 389 N ILE A 23 -2.910 10.744 10.171 1.00 0.00 N ATOM 390 CA ILE A 23 -2.118 11.701 10.974 1.00 0.00 C ATOM 391 C ILE A 23 -1.595 11.038 12.272 1.00 0.00 C ATOM 392 O ILE A 23 -0.494 11.360 12.735 1.00 0.00 O ATOM 393 CB ILE A 23 -2.968 12.983 11.352 1.00 0.00 C ATOM 394 CG1 ILE A 23 -3.443 13.759 10.080 1.00 0.00 C ATOM 395 CG2 ILE A 23 -2.213 13.938 12.320 1.00 0.00 C ATOM 396 CD1 ILE A 23 -2.328 14.351 9.231 1.00 0.00 C ATOM 0 H ILE A 23 -3.895 10.998 10.102 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.272 12.007 10.359 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.848 12.614 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.031 13.083 9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.108 14.565 10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.842 14.799 12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.978 13.409 13.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.289 14.276 11.850 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.759 14.868 8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.751 15.057 9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.674 13.552 8.882 1.00 0.00 H new ATOM 408 N GLU A 24 -2.402 10.117 12.847 1.00 0.00 N ATOM 409 CA GLU A 24 -2.044 9.406 14.098 1.00 0.00 C ATOM 410 C GLU A 24 -0.775 8.554 13.901 1.00 0.00 C ATOM 411 O GLU A 24 0.033 8.375 14.828 1.00 0.00 O ATOM 412 CB GLU A 24 -3.220 8.526 14.595 1.00 0.00 C ATOM 413 CG GLU A 24 -3.002 7.907 15.997 1.00 0.00 C ATOM 414 CD GLU A 24 -4.190 7.061 16.492 1.00 0.00 C ATOM 415 OE1 GLU A 24 -5.154 7.634 17.028 1.00 0.00 O ATOM 416 OE2 GLU A 24 -4.153 5.821 16.356 1.00 0.00 O ATOM 0 H GLU A 24 -3.308 9.848 12.464 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.837 10.157 14.861 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.128 9.129 14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.386 7.723 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.108 7.284 15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.814 8.707 16.713 1.00 0.00 H new ATOM 423 N ASN A 25 -0.598 8.057 12.671 1.00 0.00 N ATOM 424 CA ASN A 25 0.595 7.285 12.309 1.00 0.00 C ATOM 425 C ASN A 25 1.788 8.222 12.142 1.00 0.00 C ATOM 426 O ASN A 25 2.882 7.911 12.600 1.00 0.00 O ATOM 427 CB ASN A 25 0.366 6.505 11.009 1.00 0.00 C ATOM 428 CG ASN A 25 1.435 5.436 10.773 1.00 0.00 C ATOM 429 OD1 ASN A 25 2.431 5.673 10.110 1.00 0.00 O ATOM 430 ND2 ASN A 25 1.249 4.270 11.354 1.00 0.00 N ATOM 0 H ASN A 25 -1.267 8.176 11.910 1.00 0.00 H new ATOM 0 HA ASN A 25 0.799 6.574 13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.616 6.032 11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.359 7.199 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.948 3.534 11.256 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.405 4.102 11.902 1.00 0.00 H new ATOM 437 N VAL A 26 1.537 9.378 11.489 1.00 0.00 N ATOM 438 CA VAL A 26 2.570 10.418 11.249 1.00 0.00 C ATOM 439 C VAL A 26 3.210 10.853 12.581 1.00 0.00 C ATOM 440 O VAL A 26 4.429 10.899 12.698 1.00 0.00 O ATOM 441 CB VAL A 26 1.995 11.700 10.520 1.00 0.00 C ATOM 442 CG1 VAL A 26 3.099 12.760 10.238 1.00 0.00 C ATOM 443 CG2 VAL A 26 1.257 11.325 9.222 1.00 0.00 C ATOM 0 H VAL A 26 0.619 9.619 11.114 1.00 0.00 H new ATOM 0 HA VAL A 26 3.314 9.964 10.594 1.00 0.00 H new ATOM 0 HB VAL A 26 1.276 12.151 11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.657 13.621 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.547 13.078 11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.868 12.324 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.875 12.228 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.946 10.822 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.427 10.659 9.455 1.00 0.00 H new ATOM 453 N LYS A 27 2.354 11.119 13.587 1.00 0.00 N ATOM 454 CA LYS A 27 2.786 11.612 14.907 1.00 0.00 C ATOM 455 C LYS A 27 3.511 10.514 15.714 1.00 0.00 C ATOM 456 O LYS A 27 4.395 10.809 16.536 1.00 0.00 O ATOM 457 CB LYS A 27 1.584 12.200 15.689 1.00 0.00 C ATOM 458 CG LYS A 27 0.495 11.215 16.129 1.00 0.00 C ATOM 459 CD LYS A 27 -0.668 11.910 16.880 1.00 0.00 C ATOM 460 CE LYS A 27 -1.451 12.901 15.999 1.00 0.00 C ATOM 461 NZ LYS A 27 -2.443 13.680 16.793 1.00 0.00 N ATOM 0 H LYS A 27 1.344 10.998 13.506 1.00 0.00 H new ATOM 0 HA LYS A 27 3.507 12.414 14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.969 12.699 16.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.118 12.966 15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.101 10.700 15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.936 10.455 16.774 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.353 11.151 17.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.269 12.440 17.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.755 13.585 15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.966 12.356 15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.184 14.044 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.873 13.064 17.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.965 14.476 17.261 1.00 0.00 H new ATOM 475 N ALA A 28 3.132 9.243 15.457 1.00 0.00 N ATOM 476 CA ALA A 28 3.874 8.080 15.971 1.00 0.00 C ATOM 477 C ALA A 28 5.287 8.023 15.352 1.00 0.00 C ATOM 478 O ALA A 28 6.244 7.599 16.009 1.00 0.00 O ATOM 479 CB ALA A 28 3.086 6.786 15.685 1.00 0.00 C ATOM 0 H ALA A 28 2.315 9.000 14.896 1.00 0.00 H new ATOM 0 HA ALA A 28 3.989 8.179 17.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.641 5.930 16.068 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.113 6.836 16.175 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.946 6.676 14.610 1.00 0.00 H new ATOM 485 N LYS A 29 5.405 8.470 14.083 1.00 0.00 N ATOM 486 CA LYS A 29 6.691 8.523 13.379 1.00 0.00 C ATOM 487 C LYS A 29 7.570 9.697 13.857 1.00 0.00 C ATOM 488 O LYS A 29 8.779 9.597 13.760 1.00 0.00 O ATOM 489 CB LYS A 29 6.506 8.542 11.838 1.00 0.00 C ATOM 490 CG LYS A 29 5.688 7.367 11.286 1.00 0.00 C ATOM 491 CD LYS A 29 6.181 5.997 11.802 1.00 0.00 C ATOM 492 CE LYS A 29 5.216 4.866 11.448 1.00 0.00 C ATOM 493 NZ LYS A 29 5.657 3.572 12.028 1.00 0.00 N ATOM 0 H LYS A 29 4.616 8.800 13.528 1.00 0.00 H new ATOM 0 HA LYS A 29 7.221 7.605 13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.018 9.474 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.488 8.539 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.642 7.498 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.735 7.378 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.162 5.782 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.305 6.041 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.219 5.109 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.143 4.774 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.980 2.827 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.598 3.329 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.702 3.653 13.064 1.00 0.00 H new ATOM 507 N ILE A 30 6.978 10.810 14.357 1.00 0.00 N ATOM 508 CA ILE A 30 7.753 11.844 15.090 1.00 0.00 C ATOM 509 C ILE A 30 8.446 11.194 16.308 1.00 0.00 C ATOM 510 O ILE A 30 9.646 11.386 16.537 1.00 0.00 O ATOM 511 CB ILE A 30 6.858 13.083 15.539 1.00 0.00 C ATOM 512 CG1 ILE A 30 6.630 14.095 14.357 1.00 0.00 C ATOM 513 CG2 ILE A 30 7.445 13.824 16.772 1.00 0.00 C ATOM 514 CD1 ILE A 30 5.621 13.676 13.304 1.00 0.00 C ATOM 0 H ILE A 30 5.982 11.014 14.269 1.00 0.00 H new ATOM 0 HA ILE A 30 8.503 12.245 14.408 1.00 0.00 H new ATOM 0 HB ILE A 30 5.893 12.667 15.830 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.310 15.048 14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.587 14.269 13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.797 14.660 17.037 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.510 13.135 17.614 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.440 14.198 16.532 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.548 14.451 12.541 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.943 12.742 12.843 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.646 13.533 13.770 1.00 0.00 H new ATOM 526 N GLN A 31 7.671 10.378 17.038 1.00 0.00 N ATOM 527 CA GLN A 31 8.171 9.618 18.201 1.00 0.00 C ATOM 528 C GLN A 31 9.194 8.522 17.773 1.00 0.00 C ATOM 529 O GLN A 31 9.987 8.039 18.588 1.00 0.00 O ATOM 530 CB GLN A 31 6.964 8.998 18.955 1.00 0.00 C ATOM 531 CG GLN A 31 7.303 8.387 20.327 1.00 0.00 C ATOM 532 CD GLN A 31 6.095 7.783 21.060 1.00 0.00 C ATOM 533 OE1 GLN A 31 6.040 7.790 22.290 1.00 0.00 O ATOM 534 NE2 GLN A 31 5.122 7.241 20.331 1.00 0.00 N ATOM 0 H GLN A 31 6.682 10.224 16.842 1.00 0.00 H new ATOM 0 HA GLN A 31 8.703 10.297 18.867 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.206 9.769 19.094 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.521 8.224 18.328 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.057 7.612 20.191 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.748 9.158 20.956 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.185 7.245 19.313 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.313 6.822 20.790 1.00 0.00 H new ATOM 543 N ASP A 32 9.145 8.136 16.491 1.00 0.00 N ATOM 544 CA ASP A 32 10.107 7.189 15.879 1.00 0.00 C ATOM 545 C ASP A 32 11.422 7.903 15.473 1.00 0.00 C ATOM 546 O ASP A 32 12.510 7.342 15.636 1.00 0.00 O ATOM 547 CB ASP A 32 9.427 6.507 14.656 1.00 0.00 C ATOM 548 CG ASP A 32 10.350 5.612 13.808 1.00 0.00 C ATOM 549 OD1 ASP A 32 10.794 4.561 14.312 1.00 0.00 O ATOM 550 OD2 ASP A 32 10.635 5.962 12.636 1.00 0.00 O ATOM 0 H ASP A 32 8.435 8.470 15.839 1.00 0.00 H new ATOM 0 HA ASP A 32 10.381 6.428 16.610 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.592 5.905 15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.009 7.282 14.014 1.00 0.00 H new ATOM 555 N LYS A 33 11.313 9.156 14.987 1.00 0.00 N ATOM 556 CA LYS A 33 12.451 9.879 14.364 1.00 0.00 C ATOM 557 C LYS A 33 13.214 10.713 15.409 1.00 0.00 C ATOM 558 O LYS A 33 14.407 10.495 15.628 1.00 0.00 O ATOM 559 CB LYS A 33 11.965 10.798 13.209 1.00 0.00 C ATOM 560 CG LYS A 33 11.279 10.079 12.030 1.00 0.00 C ATOM 561 CD LYS A 33 12.211 9.129 11.250 1.00 0.00 C ATOM 562 CE LYS A 33 11.462 8.393 10.120 1.00 0.00 C ATOM 563 NZ LYS A 33 12.322 7.387 9.432 1.00 0.00 N ATOM 0 H LYS A 33 10.447 9.694 15.012 1.00 0.00 H new ATOM 0 HA LYS A 33 13.127 9.130 13.952 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.269 11.530 13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.821 11.352 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.430 9.510 12.409 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.881 10.826 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.039 9.698 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.643 8.400 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.584 7.896 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.103 9.120 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.868 7.091 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.250 7.808 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.449 6.559 10.048 1.00 0.00 H new ATOM 577 N GLU A 34 12.527 11.697 16.031 1.00 0.00 N ATOM 578 CA GLU A 34 13.141 12.566 17.055 1.00 0.00 C ATOM 579 C GLU A 34 12.919 12.000 18.472 1.00 0.00 C ATOM 580 O GLU A 34 13.698 12.279 19.386 1.00 0.00 O ATOM 581 CB GLU A 34 12.634 14.025 16.938 1.00 0.00 C ATOM 582 CG GLU A 34 11.133 14.257 17.191 1.00 0.00 C ATOM 583 CD GLU A 34 10.728 15.752 17.107 1.00 0.00 C ATOM 584 OE1 GLU A 34 11.356 16.589 17.803 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.786 16.088 16.362 1.00 0.00 O ATOM 0 H GLU A 34 11.547 11.908 15.840 1.00 0.00 H new ATOM 0 HA GLU A 34 14.216 12.583 16.873 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.197 14.638 17.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.871 14.389 15.938 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.555 13.688 16.462 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.872 13.870 18.176 1.00 0.00 H new ATOM 592 N GLY A 35 11.853 11.203 18.639 1.00 0.00 N ATOM 593 CA GLY A 35 11.614 10.462 19.880 1.00 0.00 C ATOM 594 C GLY A 35 10.650 11.150 20.829 1.00 0.00 C ATOM 595 O GLY A 35 10.526 10.743 21.987 1.00 0.00 O ATOM 0 H GLY A 35 11.141 11.057 17.924 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.223 9.475 19.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.565 10.310 20.390 1.00 0.00 H new ATOM 599 N ILE A 36 9.922 12.167 20.335 1.00 0.00 N ATOM 600 CA ILE A 36 8.986 12.950 21.171 1.00 0.00 C ATOM 601 C ILE A 36 7.574 12.317 21.091 1.00 0.00 C ATOM 602 O ILE A 36 7.058 12.128 19.985 1.00 0.00 O ATOM 603 CB ILE A 36 8.953 14.494 20.773 1.00 0.00 C ATOM 604 CG1 ILE A 36 10.196 15.265 21.354 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.648 15.185 21.254 1.00 0.00 C ATOM 606 CD1 ILE A 36 11.553 14.862 20.806 1.00 0.00 C ATOM 0 H ILE A 36 9.962 12.468 19.361 1.00 0.00 H new ATOM 0 HA ILE A 36 9.342 12.914 22.201 1.00 0.00 H new ATOM 0 HB ILE A 36 8.988 14.533 19.684 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.055 16.330 21.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.209 15.128 22.435 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.664 16.235 20.964 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.788 14.696 20.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.575 15.110 22.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.330 15.461 21.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.731 13.807 21.014 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.574 15.028 19.729 1.00 0.00 H new ATOM 618 N PRO A 37 6.934 11.977 22.269 1.00 0.00 N ATOM 619 CA PRO A 37 5.634 11.250 22.299 1.00 0.00 C ATOM 620 C PRO A 37 4.487 12.076 21.652 1.00 0.00 C ATOM 621 O PRO A 37 4.539 13.313 21.687 1.00 0.00 O ATOM 622 CB PRO A 37 5.399 10.990 23.821 1.00 0.00 C ATOM 623 CG PRO A 37 6.178 12.064 24.513 1.00 0.00 C ATOM 624 CD PRO A 37 7.406 12.298 23.652 1.00 0.00 C ATOM 0 HA PRO A 37 5.651 10.328 21.717 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.340 11.044 24.073 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.746 9.999 24.112 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.588 12.975 24.610 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.459 11.757 25.521 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.758 13.327 23.727 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.234 11.656 23.952 1.00 0.00 H new ATOM 632 N PRO A 38 3.424 11.400 21.086 1.00 0.00 N ATOM 633 CA PRO A 38 2.342 12.071 20.311 1.00 0.00 C ATOM 634 C PRO A 38 1.529 13.090 21.136 1.00 0.00 C ATOM 635 O PRO A 38 0.815 13.929 20.570 1.00 0.00 O ATOM 636 CB PRO A 38 1.464 10.887 19.822 1.00 0.00 C ATOM 637 CG PRO A 38 1.731 9.791 20.805 1.00 0.00 C ATOM 638 CD PRO A 38 3.190 9.931 21.163 1.00 0.00 C ATOM 0 HA PRO A 38 2.744 12.677 19.499 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.408 11.157 19.805 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.732 10.586 18.809 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.098 9.889 21.687 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.524 8.813 20.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.398 9.542 22.160 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.829 9.385 20.468 1.00 0.00 H new ATOM 646 N ASP A 39 1.651 12.997 22.472 1.00 0.00 N ATOM 647 CA ASP A 39 1.042 13.959 23.408 1.00 0.00 C ATOM 648 C ASP A 39 1.839 15.286 23.421 1.00 0.00 C ATOM 649 O ASP A 39 1.255 16.373 23.393 1.00 0.00 O ATOM 650 CB ASP A 39 0.985 13.342 24.836 1.00 0.00 C ATOM 651 CG ASP A 39 0.262 14.239 25.866 1.00 0.00 C ATOM 652 OD1 ASP A 39 -0.953 14.476 25.702 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.904 14.731 26.816 1.00 0.00 O ATOM 0 H ASP A 39 2.174 12.253 22.933 1.00 0.00 H new ATOM 0 HA ASP A 39 0.027 14.177 23.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.479 12.378 24.787 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.001 13.151 25.182 1.00 0.00 H new ATOM 658 N GLN A 40 3.180 15.165 23.428 1.00 0.00 N ATOM 659 CA GLN A 40 4.120 16.305 23.590 1.00 0.00 C ATOM 660 C GLN A 40 4.356 17.058 22.284 1.00 0.00 C ATOM 661 O GLN A 40 4.807 18.189 22.295 1.00 0.00 O ATOM 662 CB GLN A 40 5.470 15.791 24.181 1.00 0.00 C ATOM 663 CG GLN A 40 5.567 15.806 25.721 1.00 0.00 C ATOM 664 CD GLN A 40 4.278 15.388 26.418 1.00 0.00 C ATOM 665 OE1 GLN A 40 3.437 16.223 26.744 1.00 0.00 O ATOM 666 NE2 GLN A 40 4.109 14.109 26.633 1.00 0.00 N ATOM 0 H GLN A 40 3.652 14.267 23.321 1.00 0.00 H new ATOM 0 HA GLN A 40 3.664 17.015 24.280 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.634 14.771 23.834 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.279 16.400 23.777 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.371 15.139 26.032 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.839 16.809 26.050 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.829 13.445 26.349 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.257 13.776 27.085 1.00 0.00 H new ATOM 675 N GLN A 41 4.111 16.403 21.169 1.00 0.00 N ATOM 676 CA GLN A 41 4.159 17.046 19.850 1.00 0.00 C ATOM 677 C GLN A 41 2.723 17.323 19.374 1.00 0.00 C ATOM 678 O GLN A 41 1.791 16.596 19.740 1.00 0.00 O ATOM 679 CB GLN A 41 4.995 16.167 18.886 1.00 0.00 C ATOM 680 CG GLN A 41 4.551 14.699 18.737 1.00 0.00 C ATOM 681 CD GLN A 41 3.546 14.488 17.615 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.921 14.286 16.470 1.00 0.00 O ATOM 683 NE2 GLN A 41 2.270 14.498 17.946 1.00 0.00 N ATOM 0 H GLN A 41 3.872 15.412 21.139 1.00 0.00 H new ATOM 0 HA GLN A 41 4.659 18.014 19.889 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.978 16.631 17.900 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.031 16.178 19.226 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.428 14.078 18.552 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.113 14.361 19.676 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.995 14.670 18.913 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.557 14.333 17.235 1.00 0.00 H new ATOM 692 N ARG A 42 2.538 18.411 18.607 1.00 0.00 N ATOM 693 CA ARG A 42 1.227 18.829 18.101 1.00 0.00 C ATOM 694 C ARG A 42 1.331 19.143 16.605 1.00 0.00 C ATOM 695 O ARG A 42 2.196 19.918 16.188 1.00 0.00 O ATOM 696 CB ARG A 42 0.745 20.068 18.902 1.00 0.00 C ATOM 697 CG ARG A 42 -0.750 20.396 18.753 1.00 0.00 C ATOM 698 CD ARG A 42 -1.207 21.451 19.767 1.00 0.00 C ATOM 699 NE ARG A 42 -2.671 21.621 19.752 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.407 22.203 20.714 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.838 22.765 21.774 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.729 22.215 20.599 1.00 0.00 N ATOM 0 H ARG A 42 3.300 19.026 18.321 1.00 0.00 H new ATOM 0 HA ARG A 42 0.500 18.027 18.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.963 19.907 19.958 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.325 20.935 18.586 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.944 20.756 17.742 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.336 19.487 18.886 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.884 21.159 20.766 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.727 22.404 19.543 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.171 21.265 18.937 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.823 22.761 21.870 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.416 23.201 22.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.174 21.786 19.788 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.300 22.653 21.322 1.00 0.00 H new ATOM 716 N LEU A 43 0.422 18.563 15.813 1.00 0.00 N ATOM 717 CA LEU A 43 0.450 18.657 14.343 1.00 0.00 C ATOM 718 C LEU A 43 -0.403 19.836 13.898 1.00 0.00 C ATOM 719 O LEU A 43 -1.560 19.940 14.299 1.00 0.00 O ATOM 720 CB LEU A 43 -0.072 17.334 13.690 1.00 0.00 C ATOM 721 CG LEU A 43 0.969 16.192 13.511 1.00 0.00 C ATOM 722 CD1 LEU A 43 2.135 16.658 12.613 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.466 15.672 14.869 1.00 0.00 C ATOM 0 H LEU A 43 -0.358 18.012 16.172 1.00 0.00 H new ATOM 0 HA LEU A 43 1.479 18.809 14.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.894 16.955 14.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.485 17.576 12.711 1.00 0.00 H new ATOM 0 HG LEU A 43 0.479 15.357 13.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.853 15.846 12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.749 16.941 11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.627 17.516 13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.192 14.875 14.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.936 16.486 15.420 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.623 15.286 15.441 1.00 0.00 H new ATOM 735 N ILE A 44 0.203 20.740 13.103 1.00 0.00 N ATOM 736 CA ILE A 44 -0.451 21.949 12.579 1.00 0.00 C ATOM 737 C ILE A 44 0.030 22.219 11.138 1.00 0.00 C ATOM 738 O ILE A 44 1.232 22.216 10.872 1.00 0.00 O ATOM 739 CB ILE A 44 -0.168 23.201 13.512 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.869 23.005 14.901 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.597 24.544 12.854 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.542 24.034 15.945 1.00 0.00 C ATOM 0 H ILE A 44 1.174 20.647 12.804 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.529 21.785 12.567 1.00 0.00 H new ATOM 0 HB ILE A 44 0.910 23.262 13.662 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.948 23.001 14.746 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.599 22.022 15.288 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.381 25.368 13.534 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.045 24.687 11.925 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.666 24.520 12.641 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.080 23.803 16.865 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.530 24.026 16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.839 25.021 15.589 1.00 0.00 H new ATOM 754 N PHE A 45 -0.921 22.456 10.219 1.00 0.00 N ATOM 755 CA PHE A 45 -0.638 22.861 8.829 1.00 0.00 C ATOM 756 C PHE A 45 -1.489 24.093 8.504 1.00 0.00 C ATOM 757 O PHE A 45 -2.704 24.062 8.687 1.00 0.00 O ATOM 758 CB PHE A 45 -0.944 21.694 7.861 1.00 0.00 C ATOM 759 CG PHE A 45 -0.717 21.996 6.376 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.573 22.017 5.845 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.789 22.207 5.506 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.787 22.259 4.499 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.574 22.453 4.165 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.287 22.464 3.658 1.00 0.00 C ATOM 0 H PHE A 45 -1.917 22.371 10.421 1.00 0.00 H new ATOM 0 HA PHE A 45 0.416 23.112 8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.325 20.841 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.982 21.393 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.418 21.842 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.799 22.177 5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.793 22.287 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.413 22.637 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.123 22.633 2.604 1.00 0.00 H new ATOM 774 N ALA A 46 -0.825 25.182 8.076 1.00 0.00 N ATOM 775 CA ALA A 46 -1.477 26.446 7.650 1.00 0.00 C ATOM 776 C ALA A 46 -2.218 27.156 8.811 1.00 0.00 C ATOM 777 O ALA A 46 -3.073 28.016 8.570 1.00 0.00 O ATOM 778 CB ALA A 46 -2.410 26.210 6.434 1.00 0.00 C ATOM 0 H ALA A 46 0.193 25.215 8.013 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.682 27.123 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.874 27.152 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.828 25.819 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.185 25.492 6.704 1.00 0.00 H new ATOM 784 N GLY A 47 -1.854 26.812 10.068 1.00 0.00 N ATOM 785 CA GLY A 47 -2.429 27.447 11.264 1.00 0.00 C ATOM 786 C GLY A 47 -3.532 26.623 11.934 1.00 0.00 C ATOM 787 O GLY A 47 -3.944 26.938 13.062 1.00 0.00 O ATOM 0 H GLY A 47 -1.160 26.093 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.633 27.626 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.833 28.421 10.988 1.00 0.00 H new ATOM 791 N LYS A 48 -4.024 25.570 11.247 1.00 0.00 N ATOM 792 CA LYS A 48 -5.073 24.671 11.782 1.00 0.00 C ATOM 793 C LYS A 48 -4.409 23.390 12.320 1.00 0.00 C ATOM 794 O LYS A 48 -3.422 22.913 11.744 1.00 0.00 O ATOM 795 CB LYS A 48 -6.127 24.345 10.668 1.00 0.00 C ATOM 796 CG LYS A 48 -5.656 23.333 9.580 1.00 0.00 C ATOM 797 CD LYS A 48 -6.368 23.494 8.218 1.00 0.00 C ATOM 798 CE LYS A 48 -6.066 24.845 7.540 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.711 24.952 6.203 1.00 0.00 N ATOM 0 H LYS A 48 -3.708 25.319 10.310 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.602 25.161 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.024 23.949 11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.411 25.275 10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.582 23.448 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.820 22.320 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.062 22.684 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.444 23.398 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.415 25.657 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.988 24.965 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.483 25.875 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.359 24.193 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.742 24.864 6.307 1.00 0.00 H new ATOM 813 N GLN A 49 -4.927 22.859 13.439 1.00 0.00 N ATOM 814 CA GLN A 49 -4.439 21.593 14.009 1.00 0.00 C ATOM 815 C GLN A 49 -4.951 20.401 13.181 1.00 0.00 C ATOM 816 O GLN A 49 -6.095 20.405 12.713 1.00 0.00 O ATOM 817 CB GLN A 49 -4.863 21.454 15.496 1.00 0.00 C ATOM 818 CG GLN A 49 -4.455 20.116 16.161 1.00 0.00 C ATOM 819 CD GLN A 49 -4.764 20.033 17.658 1.00 0.00 C ATOM 820 OE1 GLN A 49 -5.682 20.676 18.170 1.00 0.00 O ATOM 821 NE2 GLN A 49 -3.995 19.231 18.375 1.00 0.00 N ATOM 0 H GLN A 49 -5.686 23.288 13.968 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.350 21.597 13.971 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.425 22.275 16.063 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.946 21.563 15.563 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.967 19.300 15.651 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.386 19.963 16.014 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.242 18.710 17.925 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.155 19.133 19.378 1.00 0.00 H new ATOM 830 N LEU A 50 -4.084 19.393 12.993 1.00 0.00 N ATOM 831 CA LEU A 50 -4.422 18.174 12.258 1.00 0.00 C ATOM 832 C LEU A 50 -5.034 17.141 13.213 1.00 0.00 C ATOM 833 O LEU A 50 -4.497 16.915 14.306 1.00 0.00 O ATOM 834 CB LEU A 50 -3.167 17.587 11.570 1.00 0.00 C ATOM 835 CG LEU A 50 -2.253 18.596 10.801 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.135 17.856 10.061 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.059 19.510 9.853 1.00 0.00 C ATOM 0 H LEU A 50 -3.128 19.405 13.349 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.151 18.423 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.563 17.091 12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.491 16.818 10.869 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.793 19.251 11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.510 18.576 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.526 17.305 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.571 17.160 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.380 20.193 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.582 18.900 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.784 20.084 10.430 1.00 0.00 H new ATOM 849 N GLU A 51 -6.139 16.518 12.795 1.00 0.00 N ATOM 850 CA GLU A 51 -6.817 15.494 13.587 1.00 0.00 C ATOM 851 C GLU A 51 -6.157 14.138 13.324 1.00 0.00 C ATOM 852 O GLU A 51 -5.915 13.786 12.167 1.00 0.00 O ATOM 853 CB GLU A 51 -8.311 15.428 13.196 1.00 0.00 C ATOM 854 CG GLU A 51 -9.124 14.345 13.939 1.00 0.00 C ATOM 855 CD GLU A 51 -10.496 14.090 13.312 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.347 15.006 13.327 1.00 0.00 O ATOM 857 OE2 GLU A 51 -10.728 12.976 12.795 1.00 0.00 O ATOM 0 H GLU A 51 -6.587 16.710 11.899 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.739 15.743 14.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.766 16.400 13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.385 15.247 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.556 13.415 13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.256 14.647 14.978 1.00 0.00 H new ATOM 864 N ASP A 52 -5.956 13.372 14.400 1.00 0.00 N ATOM 865 CA ASP A 52 -5.316 12.045 14.362 1.00 0.00 C ATOM 866 C ASP A 52 -6.112 11.048 13.499 1.00 0.00 C ATOM 867 O ASP A 52 -5.520 10.183 12.846 1.00 0.00 O ATOM 868 CB ASP A 52 -5.147 11.503 15.803 1.00 0.00 C ATOM 869 CG ASP A 52 -6.476 11.360 16.566 1.00 0.00 C ATOM 870 OD1 ASP A 52 -7.072 12.402 16.915 1.00 0.00 O ATOM 871 OD2 ASP A 52 -6.937 10.228 16.815 1.00 0.00 O ATOM 0 H ASP A 52 -6.236 13.657 15.339 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.335 12.158 13.901 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.655 10.531 15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.488 12.171 16.359 1.00 0.00 H new ATOM 876 N GLY A 53 -7.451 11.198 13.506 1.00 0.00 N ATOM 877 CA GLY A 53 -8.354 10.338 12.738 1.00 0.00 C ATOM 878 C GLY A 53 -8.315 10.606 11.235 1.00 0.00 C ATOM 879 O GLY A 53 -8.544 9.692 10.427 1.00 0.00 O ATOM 0 H GLY A 53 -7.930 11.919 14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.093 9.295 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.373 10.480 13.098 1.00 0.00 H new ATOM 883 N ARG A 54 -8.015 11.869 10.862 1.00 0.00 N ATOM 884 CA ARG A 54 -7.908 12.297 9.450 1.00 0.00 C ATOM 885 C ARG A 54 -6.555 11.908 8.845 1.00 0.00 C ATOM 886 O ARG A 54 -5.696 11.347 9.524 1.00 0.00 O ATOM 887 CB ARG A 54 -8.129 13.828 9.342 1.00 0.00 C ATOM 888 CG ARG A 54 -9.562 14.261 9.710 1.00 0.00 C ATOM 889 CD ARG A 54 -9.823 15.749 9.478 1.00 0.00 C ATOM 890 NE ARG A 54 -11.212 16.122 9.787 1.00 0.00 N ATOM 891 CZ ARG A 54 -11.913 17.089 9.174 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.412 17.746 8.124 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.132 17.372 9.594 1.00 0.00 N ATOM 0 H ARG A 54 -7.840 12.620 11.530 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.683 11.782 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.423 14.338 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.909 14.150 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.272 13.679 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.747 14.026 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.144 16.336 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.604 15.997 8.440 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.682 15.603 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.482 17.516 7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.960 18.478 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.534 16.858 10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.672 18.105 9.135 1.00 0.00 H new ATOM 907 N THR A 55 -6.394 12.205 7.551 1.00 0.00 N ATOM 908 CA THR A 55 -5.169 11.916 6.794 1.00 0.00 C ATOM 909 C THR A 55 -4.449 13.217 6.435 1.00 0.00 C ATOM 910 O THR A 55 -5.026 14.311 6.559 1.00 0.00 O ATOM 911 CB THR A 55 -5.487 11.132 5.482 1.00 0.00 C ATOM 912 OG1 THR A 55 -6.401 11.886 4.670 1.00 0.00 O ATOM 913 CG2 THR A 55 -6.076 9.748 5.769 1.00 0.00 C ATOM 0 H THR A 55 -7.118 12.658 6.993 1.00 0.00 H new ATOM 0 HA THR A 55 -4.529 11.301 7.426 1.00 0.00 H new ATOM 0 HB THR A 55 -4.546 10.990 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.595 11.389 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.282 9.238 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.364 9.163 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.002 9.857 6.333 1.00 0.00 H new ATOM 921 N LEU A 56 -3.193 13.079 5.976 1.00 0.00 N ATOM 922 CA LEU A 56 -2.411 14.203 5.430 1.00 0.00 C ATOM 923 C LEU A 56 -3.197 14.850 4.271 1.00 0.00 C ATOM 924 O LEU A 56 -3.451 16.049 4.274 1.00 0.00 O ATOM 925 CB LEU A 56 -1.022 13.705 4.929 1.00 0.00 C ATOM 926 CG LEU A 56 -0.008 13.218 6.013 1.00 0.00 C ATOM 927 CD1 LEU A 56 1.217 12.532 5.357 1.00 0.00 C ATOM 928 CD2 LEU A 56 0.446 14.388 6.925 1.00 0.00 C ATOM 0 H LEU A 56 -2.693 12.190 5.973 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.245 14.942 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.188 12.886 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.555 14.514 4.368 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.519 12.484 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.908 12.202 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.885 11.671 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.721 13.240 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.151 14.017 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.928 15.156 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.422 14.815 7.428 1.00 0.00 H new ATOM 940 N SER A 57 -3.653 13.983 3.348 1.00 0.00 N ATOM 941 CA SER A 57 -4.370 14.361 2.119 1.00 0.00 C ATOM 942 C SER A 57 -5.686 15.090 2.434 1.00 0.00 C ATOM 943 O SER A 57 -6.141 15.921 1.640 1.00 0.00 O ATOM 944 CB SER A 57 -4.645 13.096 1.274 1.00 0.00 C ATOM 945 OG SER A 57 -5.261 13.403 0.029 1.00 0.00 O ATOM 0 H SER A 57 -3.529 12.975 3.440 1.00 0.00 H new ATOM 0 HA SER A 57 -3.743 15.050 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.707 12.571 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.286 12.418 1.837 1.00 0.00 H new ATOM 0 HG SER A 57 -5.415 12.575 -0.473 1.00 0.00 H new ATOM 951 N ASP A 58 -6.278 14.792 3.617 1.00 0.00 N ATOM 952 CA ASP A 58 -7.534 15.430 4.055 1.00 0.00 C ATOM 953 C ASP A 58 -7.279 16.918 4.343 1.00 0.00 C ATOM 954 O ASP A 58 -8.096 17.780 4.007 1.00 0.00 O ATOM 955 CB ASP A 58 -8.117 14.726 5.310 1.00 0.00 C ATOM 956 CG ASP A 58 -9.541 15.204 5.654 1.00 0.00 C ATOM 957 OD1 ASP A 58 -9.695 16.283 6.266 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.520 14.518 5.285 1.00 0.00 O ATOM 0 H ASP A 58 -5.903 14.114 4.280 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.269 15.336 3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.130 13.649 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.461 14.909 6.161 1.00 0.00 H new ATOM 963 N TYR A 59 -6.113 17.205 4.946 1.00 0.00 N ATOM 964 CA TYR A 59 -5.680 18.575 5.251 1.00 0.00 C ATOM 965 C TYR A 59 -4.822 19.169 4.096 1.00 0.00 C ATOM 966 O TYR A 59 -4.068 20.120 4.316 1.00 0.00 O ATOM 967 CB TYR A 59 -4.894 18.594 6.581 1.00 0.00 C ATOM 968 CG TYR A 59 -5.787 18.495 7.816 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.464 19.623 8.292 1.00 0.00 C ATOM 970 CD2 TYR A 59 -5.940 17.302 8.516 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.275 19.560 9.404 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.751 17.240 9.623 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.409 18.375 10.073 1.00 0.00 C ATOM 974 OH TYR A 59 -8.229 18.306 11.181 1.00 0.00 O ATOM 0 H TYR A 59 -5.445 16.491 5.235 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.567 19.200 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.185 17.766 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.311 19.513 6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.348 20.565 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.416 16.417 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.801 20.440 9.745 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.877 16.303 10.145 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.960 18.952 11.088 1.00 0.00 H new ATOM 984 N ASN A 60 -4.954 18.589 2.879 1.00 0.00 N ATOM 985 CA ASN A 60 -4.307 19.087 1.631 1.00 0.00 C ATOM 986 C ASN A 60 -2.762 18.976 1.688 1.00 0.00 C ATOM 987 O ASN A 60 -2.045 19.700 0.991 1.00 0.00 O ATOM 988 CB ASN A 60 -4.758 20.543 1.313 1.00 0.00 C ATOM 989 CG ASN A 60 -6.274 20.670 1.138 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.801 20.544 0.033 1.00 0.00 O ATOM 991 ND2 ASN A 60 -6.988 20.898 2.233 1.00 0.00 N ATOM 0 H ASN A 60 -5.518 17.752 2.730 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.639 18.443 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.433 21.203 2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.262 20.882 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.003 20.973 2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.521 20.998 3.135 1.00 0.00 H new ATOM 998 N ILE A 61 -2.279 18.026 2.499 1.00 0.00 N ATOM 999 CA ILE A 61 -0.848 17.714 2.651 1.00 0.00 C ATOM 1000 C ILE A 61 -0.530 16.487 1.778 1.00 0.00 C ATOM 1001 O ILE A 61 -1.096 15.404 1.981 1.00 0.00 O ATOM 1002 CB ILE A 61 -0.502 17.381 4.152 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.095 18.453 5.115 1.00 0.00 C ATOM 1004 CG2 ILE A 61 1.027 17.216 4.373 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.309 17.963 6.538 1.00 0.00 C ATOM 0 H ILE A 61 -2.881 17.441 3.079 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.257 18.577 2.345 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.966 16.423 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.428 19.315 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.048 18.797 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.221 16.987 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.399 16.403 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.536 18.142 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.724 18.770 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.001 17.121 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.356 17.646 6.961 1.00 0.00 H new ATOM 1017 N GLN A 62 0.352 16.665 0.803 1.00 0.00 N ATOM 1018 CA GLN A 62 0.821 15.568 -0.059 1.00 0.00 C ATOM 1019 C GLN A 62 2.260 15.201 0.321 1.00 0.00 C ATOM 1020 O GLN A 62 2.812 15.736 1.298 1.00 0.00 O ATOM 1021 CB GLN A 62 0.732 15.983 -1.551 1.00 0.00 C ATOM 1022 CG GLN A 62 1.608 17.196 -1.932 1.00 0.00 C ATOM 1023 CD GLN A 62 1.625 17.468 -3.432 1.00 0.00 C ATOM 1024 OE1 GLN A 62 0.823 18.245 -3.950 1.00 0.00 O ATOM 1025 NE2 GLN A 62 2.541 16.833 -4.138 1.00 0.00 N ATOM 0 H GLN A 62 0.767 17.570 0.581 1.00 0.00 H new ATOM 0 HA GLN A 62 0.185 14.694 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.022 15.133 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.307 16.212 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.241 18.081 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.628 17.024 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.190 16.196 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.600 16.979 -5.146 1.00 0.00 H new ATOM 1034 N LYS A 63 2.857 14.281 -0.452 1.00 0.00 N ATOM 1035 CA LYS A 63 4.281 13.944 -0.335 1.00 0.00 C ATOM 1036 C LYS A 63 5.149 15.209 -0.509 1.00 0.00 C ATOM 1037 O LYS A 63 4.836 16.079 -1.335 1.00 0.00 O ATOM 1038 CB LYS A 63 4.681 12.864 -1.382 1.00 0.00 C ATOM 1039 CG LYS A 63 4.470 13.285 -2.858 1.00 0.00 C ATOM 1040 CD LYS A 63 4.886 12.194 -3.873 1.00 0.00 C ATOM 1041 CE LYS A 63 6.381 11.850 -3.805 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.748 10.805 -4.796 1.00 0.00 N ATOM 0 H LYS A 63 2.367 13.752 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 63 4.455 13.535 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.731 12.609 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.104 11.960 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.419 13.532 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.042 14.191 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.303 11.292 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.642 12.531 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.970 12.749 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.630 11.504 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.764 10.598 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.203 9.940 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.533 11.145 -5.755 1.00 0.00 H new ATOM 1056 N GLU A 64 6.184 15.314 0.338 1.00 0.00 N ATOM 1057 CA GLU A 64 7.198 16.377 0.309 1.00 0.00 C ATOM 1058 C GLU A 64 6.638 17.742 0.773 1.00 0.00 C ATOM 1059 O GLU A 64 7.332 18.751 0.650 1.00 0.00 O ATOM 1060 CB GLU A 64 7.880 16.479 -1.094 1.00 0.00 C ATOM 1061 CG GLU A 64 8.536 15.170 -1.603 1.00 0.00 C ATOM 1062 CD GLU A 64 9.695 14.682 -0.717 1.00 0.00 C ATOM 1063 OE1 GLU A 64 10.811 15.219 -0.852 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.506 13.765 0.112 1.00 0.00 O ATOM 0 H GLU A 64 6.343 14.639 1.086 1.00 0.00 H new ATOM 0 HA GLU A 64 7.966 16.097 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.134 16.800 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.642 17.257 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.777 14.390 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.905 15.328 -2.617 1.00 0.00 H new ATOM 1071 N SER A 65 5.402 17.771 1.325 1.00 0.00 N ATOM 1072 CA SER A 65 4.828 18.999 1.909 1.00 0.00 C ATOM 1073 C SER A 65 5.408 19.254 3.312 1.00 0.00 C ATOM 1074 O SER A 65 5.595 18.310 4.099 1.00 0.00 O ATOM 1075 CB SER A 65 3.291 18.894 1.977 1.00 0.00 C ATOM 1076 OG SER A 65 2.721 18.748 0.686 1.00 0.00 O ATOM 0 H SER A 65 4.787 16.959 1.376 1.00 0.00 H new ATOM 0 HA SER A 65 5.093 19.840 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.011 18.043 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.885 19.785 2.456 1.00 0.00 H new ATOM 0 HG SER A 65 1.900 19.280 0.629 1.00 0.00 H new ATOM 1082 N THR A 66 5.717 20.529 3.598 1.00 0.00 N ATOM 1083 CA THR A 66 6.191 20.964 4.913 1.00 0.00 C ATOM 1084 C THR A 66 5.008 21.488 5.751 1.00 0.00 C ATOM 1085 O THR A 66 4.210 22.309 5.279 1.00 0.00 O ATOM 1086 CB THR A 66 7.291 22.064 4.781 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.353 21.580 3.940 1.00 0.00 O ATOM 1088 CG2 THR A 66 7.881 22.475 6.147 1.00 0.00 C ATOM 0 H THR A 66 5.643 21.286 2.919 1.00 0.00 H new ATOM 0 HA THR A 66 6.635 20.106 5.417 1.00 0.00 H new ATOM 0 HB THR A 66 6.819 22.944 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.043 22.270 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.641 23.242 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.088 22.868 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.332 21.605 6.625 1.00 0.00 H new ATOM 1096 N LEU A 67 4.914 20.987 6.987 1.00 0.00 N ATOM 1097 CA LEU A 67 3.907 21.390 7.982 1.00 0.00 C ATOM 1098 C LEU A 67 4.621 21.698 9.307 1.00 0.00 C ATOM 1099 O LEU A 67 5.743 21.254 9.520 1.00 0.00 O ATOM 1100 CB LEU A 67 2.823 20.282 8.177 1.00 0.00 C ATOM 1101 CG LEU A 67 3.321 18.829 8.515 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.210 18.001 9.187 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.842 18.078 7.259 1.00 0.00 C ATOM 0 H LEU A 67 5.552 20.271 7.335 1.00 0.00 H new ATOM 0 HA LEU A 67 3.389 22.281 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.155 20.603 8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.228 20.230 7.265 1.00 0.00 H new ATOM 0 HG LEU A 67 4.153 18.944 9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.584 17.002 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.904 18.487 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.354 17.927 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.174 17.080 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.041 17.998 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.677 18.629 6.826 1.00 0.00 H new ATOM 1115 N HIS A 68 3.962 22.472 10.186 1.00 0.00 N ATOM 1116 CA HIS A 68 4.538 22.879 11.488 1.00 0.00 C ATOM 1117 C HIS A 68 4.254 21.829 12.578 1.00 0.00 C ATOM 1118 O HIS A 68 3.256 21.101 12.528 1.00 0.00 O ATOM 1119 CB HIS A 68 4.007 24.274 11.921 1.00 0.00 C ATOM 1120 CG HIS A 68 4.461 25.394 11.015 1.00 0.00 C ATOM 1121 ND1 HIS A 68 5.759 25.853 10.992 1.00 0.00 N ATOM 1122 CD2 HIS A 68 3.795 26.135 10.094 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.871 26.821 10.110 1.00 0.00 C ATOM 1124 NE2 HIS A 68 4.697 27.011 9.547 1.00 0.00 N ATOM 0 H HIS A 68 3.022 22.833 10.020 1.00 0.00 H new ATOM 0 HA HIS A 68 5.618 22.949 11.361 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.917 24.250 11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.339 24.482 12.938 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.749 26.051 9.839 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.775 27.368 9.885 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.491 27.698 8.822 1.00 0.00 H new ATOM 1133 N LEU A 69 5.154 21.788 13.567 1.00 0.00 N ATOM 1134 CA LEU A 69 5.092 20.878 14.710 1.00 0.00 C ATOM 1135 C LEU A 69 5.397 21.703 15.955 1.00 0.00 C ATOM 1136 O LEU A 69 6.375 22.461 15.988 1.00 0.00 O ATOM 1137 CB LEU A 69 6.129 19.727 14.523 1.00 0.00 C ATOM 1138 CG LEU A 69 6.040 18.450 15.451 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.453 18.729 16.906 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.644 17.792 15.372 1.00 0.00 C ATOM 0 H LEU A 69 5.966 22.404 13.593 1.00 0.00 H new ATOM 0 HA LEU A 69 4.109 20.416 14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.059 19.387 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.123 20.157 14.651 1.00 0.00 H new ATOM 0 HG LEU A 69 6.770 17.740 15.063 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.370 17.812 17.490 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.484 19.082 16.930 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.799 19.490 17.330 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.617 16.917 16.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.886 18.506 15.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.443 17.488 14.345 1.00 0.00 H new ATOM 1152 N VAL A 70 4.550 21.539 16.966 1.00 0.00 N ATOM 1153 CA VAL A 70 4.671 22.228 18.243 1.00 0.00 C ATOM 1154 C VAL A 70 5.065 21.237 19.337 1.00 0.00 C ATOM 1155 O VAL A 70 4.299 20.326 19.673 1.00 0.00 O ATOM 1156 CB VAL A 70 3.333 22.952 18.604 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.390 23.564 20.026 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.995 24.015 17.521 1.00 0.00 C ATOM 0 H VAL A 70 3.747 20.912 16.919 1.00 0.00 H new ATOM 0 HA VAL A 70 5.452 22.984 18.163 1.00 0.00 H new ATOM 0 HB VAL A 70 2.528 22.218 18.615 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.445 24.060 20.247 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.564 22.773 20.756 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.201 24.290 20.077 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.062 24.514 17.780 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.798 24.750 17.470 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.888 23.526 16.552 1.00 0.00 H new ATOM 1168 N LEU A 71 6.275 21.425 19.861 1.00 0.00 N ATOM 1169 CA LEU A 71 6.791 20.664 20.996 1.00 0.00 C ATOM 1170 C LEU A 71 6.189 21.207 22.315 1.00 0.00 C ATOM 1171 O LEU A 71 5.792 22.379 22.390 1.00 0.00 O ATOM 1172 CB LEU A 71 8.337 20.750 20.991 1.00 0.00 C ATOM 1173 CG LEU A 71 9.061 20.077 19.778 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.589 20.310 19.833 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.736 18.562 19.699 1.00 0.00 C ATOM 0 H LEU A 71 6.932 22.119 19.504 1.00 0.00 H new ATOM 0 HA LEU A 71 6.501 19.616 20.915 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.622 21.802 21.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.709 20.294 21.908 1.00 0.00 H new ATOM 0 HG LEU A 71 8.684 20.549 18.871 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.061 19.830 18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.795 21.380 19.808 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.989 19.885 20.754 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.254 18.123 18.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.065 18.071 20.615 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.661 18.426 19.580 1.00 0.00 H new ATOM 1187 N ARG A 72 6.086 20.326 23.331 1.00 0.00 N ATOM 1188 CA ARG A 72 5.535 20.663 24.675 1.00 0.00 C ATOM 1189 C ARG A 72 6.504 20.192 25.770 1.00 0.00 C ATOM 1190 O ARG A 72 6.668 20.869 26.790 1.00 0.00 O ATOM 1191 CB ARG A 72 4.151 19.994 24.891 1.00 0.00 C ATOM 1192 CG ARG A 72 3.055 20.424 23.888 1.00 0.00 C ATOM 1193 CD ARG A 72 1.767 19.602 24.046 1.00 0.00 C ATOM 1194 NE ARG A 72 1.139 19.788 25.372 1.00 0.00 N ATOM 1195 CZ ARG A 72 0.687 18.804 26.172 1.00 0.00 C ATOM 1196 NH1 ARG A 72 0.919 17.527 25.890 1.00 0.00 N ATOM 1197 NH2 ARG A 72 0.022 19.107 27.271 1.00 0.00 N ATOM 0 H ARG A 72 6.382 19.353 23.249 1.00 0.00 H new ATOM 0 HA ARG A 72 5.413 21.745 24.730 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.273 18.913 24.831 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.808 20.221 25.901 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.829 21.481 24.031 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.432 20.313 22.871 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.059 19.888 23.268 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.993 18.546 23.899 1.00 0.00 H new ATOM 0 HE ARG A 72 1.040 20.745 25.710 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.448 17.277 25.055 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.568 16.796 26.509 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.148 20.084 27.511 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.322 18.365 27.880 1.00 0.00 H new ATOM 1211 N LEU A 73 7.085 18.988 25.556 1.00 0.00 N ATOM 1212 CA LEU A 73 8.092 18.352 26.453 1.00 0.00 C ATOM 1213 C LEU A 73 7.616 18.254 27.915 1.00 0.00 C ATOM 1214 O LEU A 73 8.423 18.272 28.851 1.00 0.00 O ATOM 1215 CB LEU A 73 9.490 19.054 26.325 1.00 0.00 C ATOM 1216 CG LEU A 73 10.378 18.631 25.103 1.00 0.00 C ATOM 1217 CD1 LEU A 73 10.750 17.139 25.170 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.716 18.962 23.754 1.00 0.00 C ATOM 0 H LEU A 73 6.866 18.416 24.740 1.00 0.00 H new ATOM 0 HA LEU A 73 8.211 17.323 26.115 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.327 20.130 26.272 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.053 18.862 27.238 1.00 0.00 H new ATOM 0 HG LEU A 73 11.293 19.219 25.169 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.365 16.878 24.309 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.307 16.944 26.086 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.841 16.537 25.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.371 18.649 22.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.765 18.435 23.677 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.543 20.036 23.688 1.00 0.00 H new ATOM 1230 N ARG A 74 6.295 18.085 28.080 1.00 0.00 N ATOM 1231 CA ARG A 74 5.654 17.881 29.388 1.00 0.00 C ATOM 1232 C ARG A 74 5.929 16.427 29.844 1.00 0.00 C ATOM 1233 O ARG A 74 5.112 15.521 29.640 1.00 0.00 O ATOM 1234 CB ARG A 74 4.125 18.174 29.274 1.00 0.00 C ATOM 1235 CG ARG A 74 3.784 19.534 28.616 1.00 0.00 C ATOM 1236 CD ARG A 74 4.189 20.752 29.464 1.00 0.00 C ATOM 1237 NE ARG A 74 3.304 20.919 30.625 1.00 0.00 N ATOM 1238 CZ ARG A 74 3.433 21.862 31.574 1.00 0.00 C ATOM 1239 NH1 ARG A 74 4.488 22.671 31.613 1.00 0.00 N ATOM 1240 NH2 ARG A 74 2.496 21.982 32.496 1.00 0.00 N ATOM 0 H ARG A 74 5.636 18.086 27.302 1.00 0.00 H new ATOM 0 HA ARG A 74 6.062 18.564 30.133 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.656 17.377 28.697 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.686 18.146 30.271 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.283 19.594 27.649 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.712 19.576 28.425 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.218 20.634 29.804 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.158 21.651 28.849 1.00 0.00 H new ATOM 0 HE ARG A 74 2.527 20.265 30.719 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.224 22.584 30.912 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.561 23.378 32.344 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.685 21.363 32.483 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.583 22.694 33.221 1.00 0.00 H new ATOM 1254 N GLY A 75 7.133 16.222 30.390 1.00 0.00 N ATOM 1255 CA GLY A 75 7.639 14.892 30.747 1.00 0.00 C ATOM 1256 C GLY A 75 9.163 14.850 30.816 1.00 0.00 C ATOM 1257 O GLY A 75 9.732 13.859 31.289 1.00 0.00 O ATOM 0 H GLY A 75 7.786 16.977 30.597 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.226 14.596 31.711 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.291 14.165 30.014 1.00 0.00 H new ATOM 1261 N GLY A 76 9.821 15.931 30.323 1.00 0.00 N ATOM 1262 CA GLY A 76 11.282 16.071 30.374 1.00 0.00 C ATOM 1263 C GLY A 76 12.008 15.213 29.347 1.00 0.00 C ATOM 1264 O GLY A 76 13.037 14.593 29.652 1.00 0.00 O ATOM 0 H GLY A 76 9.348 16.721 29.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.545 17.117 30.214 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.631 15.804 31.372 1.00 0.00 H new TER 1268 GLY A 76 ATOM 1269 N GLY B 195 15.167 16.330 24.084 1.00 0.00 N ATOM 1270 CA GLY B 195 14.505 17.542 24.561 1.00 0.00 C ATOM 1271 C GLY B 195 15.239 18.178 25.734 1.00 0.00 C ATOM 1272 O GLY B 195 16.467 18.312 25.694 1.00 0.00 O ATOM 0 HA2 GLY B 195 14.437 18.261 23.745 1.00 0.00 H new ATOM 0 HA3 GLY B 195 13.485 17.302 24.861 1.00 0.00 H new ATOM 1276 N SER B 196 14.493 18.535 26.782 1.00 0.00 N ATOM 1277 CA SER B 196 15.055 19.127 28.002 1.00 0.00 C ATOM 1278 C SER B 196 14.107 18.916 29.195 1.00 0.00 C ATOM 1279 O SER B 196 12.890 18.770 29.013 1.00 0.00 O ATOM 1280 CB SER B 196 15.327 20.638 27.795 1.00 0.00 C ATOM 1281 OG SER B 196 14.159 21.329 27.371 1.00 0.00 O ATOM 0 H SER B 196 13.480 18.422 26.810 1.00 0.00 H new ATOM 0 HA SER B 196 16.000 18.628 28.219 1.00 0.00 H new ATOM 0 HB2 SER B 196 15.690 21.073 28.726 1.00 0.00 H new ATOM 0 HB3 SER B 196 16.116 20.768 27.054 1.00 0.00 H new ATOM 0 HG SER B 196 13.618 21.567 28.153 1.00 0.00 H new ATOM 1287 N ARG B 197 14.690 18.911 30.406 1.00 0.00 N ATOM 1288 CA ARG B 197 13.950 18.893 31.682 1.00 0.00 C ATOM 1289 C ARG B 197 13.323 20.268 31.979 1.00 0.00 C ATOM 1290 O ARG B 197 12.360 20.355 32.745 1.00 0.00 O ATOM 1291 CB ARG B 197 14.895 18.440 32.845 1.00 0.00 C ATOM 1292 CG ARG B 197 15.132 16.909 32.909 1.00 0.00 C ATOM 1293 CD ARG B 197 13.854 16.150 33.302 1.00 0.00 C ATOM 1294 NE ARG B 197 13.978 14.687 33.181 1.00 0.00 N ATOM 1295 CZ ARG B 197 12.937 13.840 33.135 1.00 0.00 C ATOM 1296 NH1 ARG B 197 11.688 14.289 33.255 1.00 0.00 N ATOM 1297 NH2 ARG B 197 13.141 12.544 32.977 1.00 0.00 N ATOM 0 H ARG B 197 15.703 18.919 30.529 1.00 0.00 H new ATOM 0 HA ARG B 197 13.135 18.174 31.599 1.00 0.00 H new ATOM 0 HB2 ARG B 197 15.856 18.941 32.733 1.00 0.00 H new ATOM 0 HB3 ARG B 197 14.471 18.771 33.793 1.00 0.00 H new ATOM 0 HG2 ARG B 197 15.482 16.554 31.939 1.00 0.00 H new ATOM 0 HG3 ARG B 197 15.920 16.693 33.631 1.00 0.00 H new ATOM 0 HD2 ARG B 197 13.594 16.401 34.330 1.00 0.00 H new ATOM 0 HD3 ARG B 197 13.031 16.490 32.673 1.00 0.00 H new ATOM 0 HE ARG B 197 14.917 14.291 33.129 1.00 0.00 H new ATOM 0 HH11 ARG B 197 11.515 15.286 33.383 1.00 0.00 H new ATOM 0 HH12 ARG B 197 10.905 13.636 33.218 1.00 0.00 H new ATOM 0 HH21 ARG B 197 14.091 12.184 32.890 1.00 0.00 H new ATOM 0 HH22 ARG B 197 12.348 11.903 32.943 1.00 0.00 H new ATOM 1311 N GLN B 198 13.875 21.328 31.365 1.00 0.00 N ATOM 1312 CA GLN B 198 13.358 22.705 31.495 1.00 0.00 C ATOM 1313 C GLN B 198 12.374 23.033 30.349 1.00 0.00 C ATOM 1314 O GLN B 198 12.265 22.282 29.370 1.00 0.00 O ATOM 1315 CB GLN B 198 14.544 23.713 31.509 1.00 0.00 C ATOM 1316 CG GLN B 198 15.544 23.488 32.663 1.00 0.00 C ATOM 1317 CD GLN B 198 16.715 24.471 32.661 1.00 0.00 C ATOM 1318 OE1 GLN B 198 17.757 24.216 32.058 1.00 0.00 O ATOM 1319 NE2 GLN B 198 16.559 25.600 33.332 1.00 0.00 N ATOM 0 H GLN B 198 14.695 21.256 30.762 1.00 0.00 H new ATOM 0 HA GLN B 198 12.813 22.788 32.435 1.00 0.00 H new ATOM 0 HB2 GLN B 198 15.077 23.644 30.561 1.00 0.00 H new ATOM 0 HB3 GLN B 198 14.146 24.726 31.578 1.00 0.00 H new ATOM 0 HG2 GLN B 198 15.014 23.569 33.612 1.00 0.00 H new ATOM 0 HG3 GLN B 198 15.934 22.472 32.602 1.00 0.00 H new ATOM 0 HE21 GLN B 198 15.684 25.785 33.823 1.00 0.00 H new ATOM 0 HE22 GLN B 198 17.314 26.286 33.359 1.00 0.00 H new ATOM 1328 N VAL B 199 11.653 24.158 30.508 1.00 0.00 N ATOM 1329 CA VAL B 199 10.708 24.674 29.502 1.00 0.00 C ATOM 1330 C VAL B 199 11.480 25.383 28.362 1.00 0.00 C ATOM 1331 O VAL B 199 12.437 26.129 28.617 1.00 0.00 O ATOM 1332 CB VAL B 199 9.651 25.662 30.163 1.00 0.00 C ATOM 1333 CG1 VAL B 199 10.322 26.929 30.762 1.00 0.00 C ATOM 1334 CG2 VAL B 199 8.513 26.037 29.176 1.00 0.00 C ATOM 0 H VAL B 199 11.711 24.738 31.345 1.00 0.00 H new ATOM 0 HA VAL B 199 10.158 23.831 29.083 1.00 0.00 H new ATOM 0 HB VAL B 199 9.198 25.119 30.993 1.00 0.00 H new ATOM 0 HG11 VAL B 199 9.559 27.572 31.201 1.00 0.00 H new ATOM 0 HG12 VAL B 199 11.035 26.634 31.532 1.00 0.00 H new ATOM 0 HG13 VAL B 199 10.844 27.472 29.974 1.00 0.00 H new ATOM 0 HG21 VAL B 199 7.813 26.713 29.667 1.00 0.00 H new ATOM 0 HG22 VAL B 199 8.938 26.528 28.301 1.00 0.00 H new ATOM 0 HG23 VAL B 199 7.988 25.134 28.866 1.00 0.00 H new ATOM 1344 N THR B 200 11.081 25.112 27.110 1.00 0.00 N ATOM 1345 CA THR B 200 11.649 25.770 25.920 1.00 0.00 C ATOM 1346 C THR B 200 10.863 27.072 25.627 1.00 0.00 C ATOM 1347 O THR B 200 9.726 27.223 26.071 1.00 0.00 O ATOM 1348 CB THR B 200 11.582 24.806 24.696 1.00 0.00 C ATOM 1349 OG1 THR B 200 12.086 23.517 25.060 1.00 0.00 O ATOM 1350 CG2 THR B 200 12.360 25.334 23.480 1.00 0.00 C ATOM 0 H THR B 200 10.355 24.430 26.892 1.00 0.00 H new ATOM 0 HA THR B 200 12.694 26.020 26.106 1.00 0.00 H new ATOM 0 HB THR B 200 10.533 24.735 24.407 1.00 0.00 H new ATOM 0 HG1 THR B 200 11.351 22.959 25.389 1.00 0.00 H new ATOM 0 HG21 THR B 200 12.278 24.622 22.659 1.00 0.00 H new ATOM 0 HG22 THR B 200 11.945 26.294 23.171 1.00 0.00 H new ATOM 0 HG23 THR B 200 13.409 25.461 23.747 1.00 0.00 H new ATOM 1358 N LYS B 201 11.487 28.049 24.951 1.00 0.00 N ATOM 1359 CA LYS B 201 10.778 29.251 24.463 1.00 0.00 C ATOM 1360 C LYS B 201 10.657 29.137 22.935 1.00 0.00 C ATOM 1361 O LYS B 201 11.664 29.053 22.220 1.00 0.00 O ATOM 1362 CB LYS B 201 11.508 30.564 24.900 1.00 0.00 C ATOM 1363 CG LYS B 201 11.368 30.920 26.412 1.00 0.00 C ATOM 1364 CD LYS B 201 12.077 29.919 27.361 1.00 0.00 C ATOM 1365 CE LYS B 201 11.754 30.159 28.847 1.00 0.00 C ATOM 1366 NZ LYS B 201 12.214 31.487 29.325 1.00 0.00 N ATOM 0 H LYS B 201 12.482 28.034 24.728 1.00 0.00 H new ATOM 0 HA LYS B 201 9.783 29.306 24.904 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.567 30.471 24.660 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.119 31.393 24.309 1.00 0.00 H new ATOM 0 HG2 LYS B 201 11.776 31.917 26.580 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.310 30.962 26.669 1.00 0.00 H new ATOM 0 HD2 LYS B 201 11.785 28.904 27.092 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.155 29.990 27.214 1.00 0.00 H new ATOM 0 HE2 LYS B 201 10.678 30.075 28.999 1.00 0.00 H new ATOM 0 HE3 LYS B 201 12.222 29.379 29.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 11.972 31.597 30.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 13.245 31.561 29.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 11.748 32.235 28.773 1.00 0.00 H new ATOM 1380 N VAL B 202 9.403 29.149 22.457 1.00 0.00 N ATOM 1381 CA VAL B 202 9.036 28.792 21.076 1.00 0.00 C ATOM 1382 C VAL B 202 7.892 29.688 20.567 1.00 0.00 C ATOM 1383 O VAL B 202 7.185 30.324 21.347 1.00 0.00 O ATOM 1384 CB VAL B 202 8.612 27.270 20.974 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.828 26.311 21.003 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.612 26.905 22.097 1.00 0.00 C ATOM 0 H VAL B 202 8.600 29.412 23.029 1.00 0.00 H new ATOM 0 HA VAL B 202 9.914 28.950 20.450 1.00 0.00 H new ATOM 0 HB VAL B 202 8.126 27.143 20.007 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.480 25.280 20.930 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.486 26.532 20.163 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.374 26.444 21.937 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.333 25.855 22.009 1.00 0.00 H new ATOM 0 HG22 VAL B 202 8.077 27.077 23.068 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.721 27.526 22.006 1.00 0.00 H new ATOM 1396 N ASP B 203 7.707 29.696 19.243 1.00 0.00 N ATOM 1397 CA ASP B 203 6.775 30.601 18.552 1.00 0.00 C ATOM 1398 C ASP B 203 5.432 29.925 18.292 1.00 0.00 C ATOM 1399 O ASP B 203 5.366 28.725 18.076 1.00 0.00 O ATOM 1400 CB ASP B 203 7.391 31.102 17.220 1.00 0.00 C ATOM 1401 CG ASP B 203 8.535 32.104 17.443 1.00 0.00 C ATOM 1402 OD1 ASP B 203 9.663 31.677 17.763 1.00 0.00 O ATOM 1403 OD2 ASP B 203 8.305 33.323 17.313 1.00 0.00 O ATOM 0 H ASP B 203 8.204 29.068 18.611 1.00 0.00 H new ATOM 0 HA ASP B 203 6.600 31.457 19.204 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.764 30.250 16.652 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.613 31.571 16.617 1.00 0.00 H new ATOM 1408 N CYS B 204 4.368 30.728 18.324 1.00 0.00 N ATOM 1409 CA CYS B 204 2.997 30.282 18.053 1.00 0.00 C ATOM 1410 C CYS B 204 2.740 30.390 16.539 1.00 0.00 C ATOM 1411 O CYS B 204 2.555 31.496 16.053 1.00 0.00 O ATOM 1412 CB CYS B 204 2.025 31.163 18.872 1.00 0.00 C ATOM 1413 SG CYS B 204 0.260 30.718 18.804 1.00 0.00 S ATOM 0 H CYS B 204 4.433 31.722 18.542 1.00 0.00 H new ATOM 0 HA CYS B 204 2.844 29.244 18.349 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.342 31.140 19.915 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.129 32.193 18.530 1.00 0.00 H new ATOM 1418 N PRO B 205 2.741 29.248 15.765 1.00 0.00 N ATOM 1419 CA PRO B 205 2.741 29.265 14.266 1.00 0.00 C ATOM 1420 C PRO B 205 1.517 29.963 13.624 1.00 0.00 C ATOM 1421 O PRO B 205 1.516 30.242 12.421 1.00 0.00 O ATOM 1422 CB PRO B 205 2.794 27.751 13.888 1.00 0.00 C ATOM 1423 CG PRO B 205 2.261 27.043 15.099 1.00 0.00 C ATOM 1424 CD PRO B 205 2.750 27.851 16.280 1.00 0.00 C ATOM 0 HA PRO B 205 3.578 29.851 13.886 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.188 27.540 13.006 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.812 27.434 13.659 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.172 26.995 15.079 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.625 26.017 15.147 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.096 27.737 17.144 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.748 27.544 16.592 1.00 0.00 H new ATOM 1432 N VAL B 206 0.485 30.237 14.438 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.763 30.855 13.969 1.00 0.00 C ATOM 1434 C VAL B 206 -0.662 32.404 14.017 1.00 0.00 C ATOM 1435 O VAL B 206 -0.871 33.076 13.000 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.992 30.355 14.821 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.330 30.805 14.186 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.949 28.814 15.018 1.00 0.00 C ATOM 0 H VAL B 206 0.493 30.036 15.438 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.920 30.553 12.934 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.923 30.814 15.807 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.160 30.446 14.794 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.361 31.893 14.135 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.412 30.393 13.180 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.809 28.499 15.609 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -1.977 28.322 14.046 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.031 28.539 15.538 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.311 32.963 15.203 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.295 34.444 15.417 1.00 0.00 C ATOM 1450 C CYS B 207 1.145 35.013 15.526 1.00 0.00 C ATOM 1451 O CYS B 207 1.320 36.213 15.746 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.127 34.825 16.667 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.350 34.415 18.262 1.00 0.00 S ATOM 0 H CYS B 207 -0.037 32.421 16.023 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.751 34.896 14.536 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.324 35.897 16.641 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.092 34.322 16.610 1.00 0.00 H new ATOM 1458 N GLY B 208 2.157 34.133 15.381 1.00 0.00 N ATOM 1459 CA GLY B 208 3.577 34.526 15.253 1.00 0.00 C ATOM 1460 C GLY B 208 4.177 35.250 16.465 1.00 0.00 C ATOM 1461 O GLY B 208 4.841 36.280 16.300 1.00 0.00 O ATOM 0 H GLY B 208 2.012 33.124 15.349 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.167 33.630 15.059 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.680 35.171 14.380 1.00 0.00 H new ATOM 1465 N VAL B 209 3.938 34.720 17.682 1.00 0.00 N ATOM 1466 CA VAL B 209 4.478 35.297 18.945 1.00 0.00 C ATOM 1467 C VAL B 209 5.393 34.281 19.664 1.00 0.00 C ATOM 1468 O VAL B 209 5.026 33.108 19.809 1.00 0.00 O ATOM 1469 CB VAL B 209 3.321 35.767 19.920 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.488 36.908 19.292 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.403 34.592 20.342 1.00 0.00 C ATOM 0 H VAL B 209 3.370 33.885 17.824 1.00 0.00 H new ATOM 0 HA VAL B 209 5.065 36.174 18.672 1.00 0.00 H new ATOM 0 HB VAL B 209 3.803 36.148 20.821 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.702 37.209 19.985 1.00 0.00 H new ATOM 0 HG12 VAL B 209 3.136 37.760 19.086 1.00 0.00 H new ATOM 0 HG13 VAL B 209 2.038 36.561 18.362 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.624 34.960 21.010 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.944 34.153 19.456 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.994 33.835 20.857 1.00 0.00 H new ATOM 1481 N ASN B 210 6.589 34.728 20.109 1.00 0.00 N ATOM 1482 CA ASN B 210 7.511 33.876 20.891 1.00 0.00 C ATOM 1483 C ASN B 210 7.123 33.927 22.383 1.00 0.00 C ATOM 1484 O ASN B 210 7.140 34.993 23.010 1.00 0.00 O ATOM 1485 CB ASN B 210 8.993 34.275 20.691 1.00 0.00 C ATOM 1486 CG ASN B 210 9.955 33.313 21.407 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.358 33.544 22.546 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.300 32.211 20.758 1.00 0.00 N ATOM 0 H ASN B 210 6.937 35.672 19.940 1.00 0.00 H new ATOM 0 HA ASN B 210 7.414 32.854 20.526 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.223 34.290 19.626 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.149 35.287 21.065 1.00 0.00 H new ATOM 0 HD21 ASN B 210 10.914 31.529 21.202 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.951 32.045 19.814 1.00 0.00 H new ATOM 1495 N ILE B 211 6.781 32.751 22.916 1.00 0.00 N ATOM 1496 CA ILE B 211 6.224 32.547 24.268 1.00 0.00 C ATOM 1497 C ILE B 211 6.803 31.230 24.857 1.00 0.00 C ATOM 1498 O ILE B 211 7.325 30.411 24.096 1.00 0.00 O ATOM 1499 CB ILE B 211 4.641 32.471 24.187 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.213 31.487 23.043 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.007 33.879 23.996 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.729 31.445 22.754 1.00 0.00 C ATOM 0 H ILE B 211 6.886 31.876 22.402 1.00 0.00 H new ATOM 0 HA ILE B 211 6.497 33.380 24.915 1.00 0.00 H new ATOM 0 HB ILE B 211 4.266 32.086 25.135 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.737 31.767 22.129 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.545 30.483 23.306 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.922 33.786 23.945 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.277 34.517 24.838 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.377 34.322 23.071 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.535 30.736 21.949 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.193 31.132 23.650 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.388 32.436 22.455 1.00 0.00 H new ATOM 1514 N PRO B 212 6.763 31.005 26.213 1.00 0.00 N ATOM 1515 CA PRO B 212 7.174 29.704 26.816 1.00 0.00 C ATOM 1516 C PRO B 212 6.324 28.513 26.284 1.00 0.00 C ATOM 1517 O PRO B 212 5.175 28.688 25.889 1.00 0.00 O ATOM 1518 CB PRO B 212 6.989 29.925 28.343 1.00 0.00 C ATOM 1519 CG PRO B 212 6.077 31.115 28.460 1.00 0.00 C ATOM 1520 CD PRO B 212 6.377 31.989 27.262 1.00 0.00 C ATOM 0 HA PRO B 212 8.198 29.433 26.558 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.553 29.046 28.818 1.00 0.00 H new ATOM 0 HB3 PRO B 212 7.945 30.111 28.833 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.032 30.806 28.466 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.256 31.654 29.391 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.508 32.576 26.964 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.182 32.694 27.469 1.00 0.00 H new ATOM 1528 N GLU B 213 6.929 27.319 26.302 1.00 0.00 N ATOM 1529 CA GLU B 213 6.424 26.090 25.642 1.00 0.00 C ATOM 1530 C GLU B 213 5.082 25.579 26.244 1.00 0.00 C ATOM 1531 O GLU B 213 4.217 25.024 25.535 1.00 0.00 O ATOM 1532 CB GLU B 213 7.553 25.031 25.730 1.00 0.00 C ATOM 1533 CG GLU B 213 7.377 23.776 24.871 1.00 0.00 C ATOM 1534 CD GLU B 213 8.631 22.880 24.858 1.00 0.00 C ATOM 1535 OE1 GLU B 213 9.211 22.626 25.944 1.00 0.00 O ATOM 1536 OE2 GLU B 213 9.044 22.423 23.778 1.00 0.00 O ATOM 0 H GLU B 213 7.812 27.168 26.790 1.00 0.00 H new ATOM 0 HA GLU B 213 6.182 26.304 24.601 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.492 25.508 25.449 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.651 24.722 26.771 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.529 23.201 25.245 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.136 24.071 23.850 1.00 0.00 H new ATOM 1543 N SER B 214 4.898 25.789 27.553 1.00 0.00 N ATOM 1544 CA SER B 214 3.611 25.508 28.228 1.00 0.00 C ATOM 1545 C SER B 214 2.501 26.444 27.665 1.00 0.00 C ATOM 1546 O SER B 214 1.384 26.000 27.309 1.00 0.00 O ATOM 1547 CB SER B 214 3.779 25.690 29.756 1.00 0.00 C ATOM 1548 OG SER B 214 2.586 25.394 30.468 1.00 0.00 O ATOM 0 H SER B 214 5.622 26.153 28.173 1.00 0.00 H new ATOM 0 HA SER B 214 3.310 24.478 28.036 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.581 25.043 30.111 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.080 26.716 29.967 1.00 0.00 H new ATOM 0 HG SER B 214 2.738 25.520 31.428 1.00 0.00 H new ATOM 1554 N HIS B 215 2.866 27.734 27.518 1.00 0.00 N ATOM 1555 CA HIS B 215 1.956 28.787 27.048 1.00 0.00 C ATOM 1556 C HIS B 215 1.753 28.714 25.522 1.00 0.00 C ATOM 1557 O HIS B 215 0.786 29.281 25.013 1.00 0.00 O ATOM 1558 CB HIS B 215 2.504 30.176 27.467 1.00 0.00 C ATOM 1559 CG HIS B 215 1.522 31.308 27.315 1.00 0.00 C ATOM 1560 ND1 HIS B 215 0.563 31.586 28.261 1.00 0.00 N ATOM 1561 CD2 HIS B 215 1.338 32.215 26.325 1.00 0.00 C ATOM 1562 CE1 HIS B 215 -0.158 32.610 27.863 1.00 0.00 C ATOM 1563 NE2 HIS B 215 0.289 33.010 26.696 1.00 0.00 N ATOM 0 H HIS B 215 3.806 28.071 27.724 1.00 0.00 H new ATOM 0 HA HIS B 215 0.981 28.635 27.512 1.00 0.00 H new ATOM 0 HB2 HIS B 215 2.824 30.127 28.508 1.00 0.00 H new ATOM 0 HB3 HIS B 215 3.389 30.398 26.871 1.00 0.00 H new ATOM 0 HD2 HIS B 215 1.912 32.295 25.414 1.00 0.00 H new ATOM 0 HE1 HIS B 215 -0.982 33.049 28.406 1.00 0.00 H new ATOM 0 HE2 HIS B 215 -0.085 33.788 26.153 1.00 0.00 H new ATOM 1572 N ILE B 216 2.674 28.035 24.792 1.00 0.00 N ATOM 1573 CA ILE B 216 2.564 27.896 23.327 1.00 0.00 C ATOM 1574 C ILE B 216 1.405 26.942 23.008 1.00 0.00 C ATOM 1575 O ILE B 216 0.557 27.282 22.184 1.00 0.00 O ATOM 1576 CB ILE B 216 3.937 27.468 22.610 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.030 28.013 21.137 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.180 25.941 22.602 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.128 27.332 20.115 1.00 0.00 C ATOM 0 H ILE B 216 3.493 27.580 25.195 1.00 0.00 H new ATOM 0 HA ILE B 216 2.349 28.879 22.908 1.00 0.00 H new ATOM 0 HB ILE B 216 4.718 27.927 23.216 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.794 29.077 21.149 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.063 27.919 20.800 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.124 25.725 22.102 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.220 25.574 23.627 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.367 25.446 22.071 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.277 27.789 19.137 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.375 26.272 20.061 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.086 27.447 20.415 1.00 0.00 H new ATOM 1591 N ASN B 217 1.341 25.785 23.714 1.00 0.00 N ATOM 1592 CA ASN B 217 0.241 24.814 23.524 1.00 0.00 C ATOM 1593 C ASN B 217 -1.111 25.472 23.861 1.00 0.00 C ATOM 1594 O ASN B 217 -2.076 25.358 23.096 1.00 0.00 O ATOM 1595 CB ASN B 217 0.467 23.546 24.385 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.643 22.497 24.209 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -0.589 21.671 23.298 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.658 22.523 25.064 1.00 0.00 N ATOM 0 H ASN B 217 2.031 25.506 24.412 1.00 0.00 H new ATOM 0 HA ASN B 217 0.227 24.507 22.478 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.426 23.100 24.121 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.526 23.832 25.435 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -2.417 21.848 24.975 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -1.679 23.218 25.810 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.122 26.196 24.995 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.288 26.963 25.475 1.00 0.00 C ATOM 1607 C LYS B 218 -2.780 27.991 24.421 1.00 0.00 C ATOM 1608 O LYS B 218 -3.992 28.074 24.104 1.00 0.00 O ATOM 1609 CB LYS B 218 -1.868 27.669 26.789 1.00 0.00 C ATOM 1610 CG LYS B 218 -2.954 28.537 27.460 1.00 0.00 C ATOM 1611 CD LYS B 218 -2.415 29.309 28.691 1.00 0.00 C ATOM 1612 CE LYS B 218 -3.452 30.276 29.278 1.00 0.00 C ATOM 1613 NZ LYS B 218 -4.664 29.566 29.757 1.00 0.00 N ATOM 0 H LYS B 218 -0.312 26.266 25.612 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.126 26.289 25.651 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.545 26.909 27.501 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.003 28.299 26.581 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.348 29.247 26.733 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.784 27.902 27.768 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -2.112 28.597 29.458 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -1.524 29.867 28.404 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -3.005 30.829 30.104 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -3.735 31.007 28.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -5.317 30.249 30.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -5.134 29.100 28.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -4.392 28.851 30.461 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.806 28.739 23.850 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.074 29.791 22.853 1.00 0.00 C ATOM 1629 C HIS B 219 -2.734 29.192 21.620 1.00 0.00 C ATOM 1630 O HIS B 219 -3.588 29.822 21.030 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.769 30.556 22.435 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.863 32.060 22.556 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.759 32.927 21.472 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.986 32.798 23.686 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.818 34.142 21.999 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.955 34.107 23.324 1.00 0.00 N ATOM 0 H HIS B 219 -0.816 28.627 24.070 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.747 30.511 23.318 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.058 30.205 23.053 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.527 30.301 21.403 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -1.090 32.415 24.691 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.762 35.053 21.422 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -1.024 34.911 23.948 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.307 27.974 21.253 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.835 27.260 20.086 1.00 0.00 C ATOM 1646 C LEU B 220 -4.306 26.941 20.250 1.00 0.00 C ATOM 1647 O LEU B 220 -5.066 27.195 19.343 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.057 25.965 19.841 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.566 26.157 19.506 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.152 24.814 19.466 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.369 26.967 18.206 1.00 0.00 C ATOM 0 H LEU B 220 -1.586 27.459 21.758 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.716 27.919 19.226 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.137 25.337 20.728 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.531 25.423 19.023 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.114 26.747 20.303 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.204 24.971 19.228 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.069 24.328 20.438 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.302 24.181 18.704 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.696 27.080 18.006 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.841 26.442 17.375 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.823 27.951 18.318 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.684 26.417 21.431 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.084 26.055 21.747 1.00 0.00 C ATOM 1665 C ASP B 221 -7.026 27.247 21.519 1.00 0.00 C ATOM 1666 O ASP B 221 -8.161 27.071 21.085 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.195 25.535 23.205 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.556 24.146 23.397 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.171 23.141 22.982 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.445 24.050 23.959 1.00 0.00 O ATOM 0 H ASP B 221 -4.032 26.232 22.193 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.389 25.255 21.073 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.714 26.246 23.877 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.246 25.488 23.490 1.00 0.00 H new ATOM 1675 N SER B 222 -6.512 28.464 21.789 1.00 0.00 N ATOM 1676 CA SER B 222 -7.257 29.718 21.537 1.00 0.00 C ATOM 1677 C SER B 222 -7.128 30.161 20.057 1.00 0.00 C ATOM 1678 O SER B 222 -8.095 30.612 19.443 1.00 0.00 O ATOM 1679 CB SER B 222 -6.733 30.827 22.476 1.00 0.00 C ATOM 1680 OG SER B 222 -7.463 32.042 22.327 1.00 0.00 O ATOM 0 H SER B 222 -5.582 28.607 22.183 1.00 0.00 H new ATOM 0 HA SER B 222 -8.313 29.539 21.738 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.800 30.488 23.510 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.679 31.010 22.268 1.00 0.00 H new ATOM 0 HG SER B 222 -7.102 32.717 22.939 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.921 29.995 19.494 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.542 30.535 18.174 1.00 0.00 C ATOM 1688 C CYS B 223 -6.062 29.669 17.007 1.00 0.00 C ATOM 1689 O CYS B 223 -6.114 30.139 15.870 1.00 0.00 O ATOM 1690 CB CYS B 223 -4.006 30.732 18.104 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.424 32.120 19.154 1.00 0.00 S ATOM 0 H CYS B 223 -5.169 29.475 19.947 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.024 31.506 18.061 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.511 29.813 18.416 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.714 30.916 17.070 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.437 28.402 17.288 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.949 27.469 16.259 1.00 0.00 C ATOM 1698 C LEU B 224 -8.490 27.488 16.232 1.00 0.00 C ATOM 1699 O LEU B 224 -9.104 26.827 15.386 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.354 26.023 16.466 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.789 25.183 17.736 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.156 24.470 17.571 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.691 24.163 18.119 1.00 0.00 C ATOM 0 H LEU B 224 -6.394 28.000 18.224 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.613 27.802 15.277 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.605 25.436 15.583 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.268 26.115 16.490 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.915 25.903 18.544 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.389 23.914 18.479 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.934 25.212 17.390 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -8.108 23.782 16.727 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -6.010 23.596 18.994 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.522 23.480 17.286 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.766 24.693 18.347 1.00 0.00 H new ATOM 1715 N SER B 225 -9.098 28.276 17.156 1.00 0.00 N ATOM 1716 CA SER B 225 -10.559 28.400 17.288 1.00 0.00 C ATOM 1717 C SER B 225 -11.140 29.208 16.106 1.00 0.00 C ATOM 1718 O SER B 225 -11.357 30.424 16.202 1.00 0.00 O ATOM 1719 CB SER B 225 -10.921 29.049 18.648 1.00 0.00 C ATOM 1720 OG SER B 225 -10.373 28.320 19.733 1.00 0.00 O ATOM 0 H SER B 225 -8.580 28.842 17.829 1.00 0.00 H new ATOM 0 HA SER B 225 -11.003 27.405 17.261 1.00 0.00 H new ATOM 0 HB2 SER B 225 -10.551 30.074 18.673 1.00 0.00 H new ATOM 0 HB3 SER B 225 -12.005 29.098 18.752 1.00 0.00 H new ATOM 0 HG SER B 225 -10.617 28.755 20.576 1.00 0.00 H new ATOM 1726 N ARG B 226 -11.330 28.508 14.981 1.00 0.00 N ATOM 1727 CA ARG B 226 -11.868 29.077 13.736 1.00 0.00 C ATOM 1728 C ARG B 226 -13.401 29.178 13.835 1.00 0.00 C ATOM 1729 O ARG B 226 -14.035 28.360 14.515 1.00 0.00 O ATOM 1730 CB ARG B 226 -11.420 28.209 12.521 1.00 0.00 C ATOM 1731 CG ARG B 226 -11.769 26.704 12.633 1.00 0.00 C ATOM 1732 CD ARG B 226 -11.190 25.856 11.487 1.00 0.00 C ATOM 1733 NE ARG B 226 -11.548 24.433 11.629 1.00 0.00 N ATOM 1734 CZ ARG B 226 -11.148 23.438 10.820 1.00 0.00 C ATOM 1735 NH1 ARG B 226 -10.349 23.673 9.776 1.00 0.00 N ATOM 1736 NH2 ARG B 226 -11.558 22.198 11.051 1.00 0.00 N ATOM 0 H ARG B 226 -11.111 27.514 14.907 1.00 0.00 H new ATOM 0 HA ARG B 226 -11.476 30.083 13.585 1.00 0.00 H new ATOM 0 HB2 ARG B 226 -11.881 28.608 11.618 1.00 0.00 H new ATOM 0 HB3 ARG B 226 -10.341 28.309 12.399 1.00 0.00 H new ATOM 0 HG2 ARG B 226 -11.395 26.322 13.583 1.00 0.00 H new ATOM 0 HG3 ARG B 226 -12.853 26.590 12.648 1.00 0.00 H new ATOM 0 HD2 ARG B 226 -11.561 26.231 10.533 1.00 0.00 H new ATOM 0 HD3 ARG B 226 -10.105 25.959 11.470 1.00 0.00 H new ATOM 0 HE ARG B 226 -12.153 24.182 12.411 1.00 0.00 H new ATOM 0 HH11 ARG B 226 -10.031 24.622 9.581 1.00 0.00 H new ATOM 0 HH12 ARG B 226 -10.057 22.903 9.174 1.00 0.00 H new ATOM 0 HH21 ARG B 226 -12.174 22.003 11.840 1.00 0.00 H new ATOM 0 HH22 ARG B 226 -11.257 21.439 10.440 1.00 0.00 H new ATOM 1750 N GLU B 227 -13.975 30.193 13.176 1.00 0.00 N ATOM 1751 CA GLU B 227 -15.419 30.488 13.236 1.00 0.00 C ATOM 1752 C GLU B 227 -15.877 31.101 11.890 1.00 0.00 C ATOM 1753 O GLU B 227 -16.705 30.487 11.184 1.00 0.00 O ATOM 1754 CB GLU B 227 -15.720 31.451 14.425 1.00 0.00 C ATOM 1755 CG GLU B 227 -17.218 31.643 14.739 1.00 0.00 C ATOM 1756 CD GLU B 227 -17.909 30.337 15.175 1.00 0.00 C ATOM 1757 OE1 GLU B 227 -17.778 29.952 16.358 1.00 0.00 O ATOM 1758 OE2 GLU B 227 -18.576 29.682 14.343 1.00 0.00 O ATOM 1759 OXT GLU B 227 -15.355 32.171 11.518 1.00 0.00 O ATOM 0 H GLU B 227 -13.452 30.837 12.583 1.00 0.00 H new ATOM 0 HA GLU B 227 -15.975 29.565 13.403 1.00 0.00 H new ATOM 0 HB2 GLU B 227 -15.222 31.071 15.317 1.00 0.00 H new ATOM 0 HB3 GLU B 227 -15.282 32.425 14.206 1.00 0.00 H new ATOM 0 HG2 GLU B 227 -17.327 32.387 15.528 1.00 0.00 H new ATOM 0 HG3 GLU B 227 -17.722 32.038 13.857 1.00 0.00 H new TER 1766 GLU B 227 HETATM 1767 ZN ZN B 301 -1.103 32.512 19.428 1.00 0.00 ZN