USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 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: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 26 HIS : no HE2:sc= -8.61! C(o=-19!,f=-28!) USER MOD Set 1.2: A 31 ASN : amide:sc= -10.2! C(o=-19!,f=-21!) USER MOD Set 2.1: A -5 THR N :NH3+ -128:sc= -3.59! (180deg=-1.71!) USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -4.56! C(o=-14!,f=-8.1!) USER MOD Single : A 2 SER OG : rot -13:sc= 0.866 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.383 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -19:sc= 0.866 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.796 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -3.05! (180deg=-3.09!) USER MOD Single : A 33 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.092) USER MOD Single : A 40 SER OG : rot 34:sc= -3.62! USER MOD Single : A 42 GLN : amide:sc= -2.3 K(o=-2.3,f=-7.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 105:sc= -1.86! USER MOD Single : A 49 THR OG1 : rot 117:sc= -3.01! USER MOD Single : A 52 ASN : amide:sc= -2.38! C(o=-2.4!,f=-7.6!) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -1.71 (180deg=-4.07!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.26! C(o=-2.3!,f=-6.2!) USER MOD Single : A 63 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 152:sc= -0.217 (180deg=-0.962) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -98:sc= 0.121 USER MOD Single : A 69 THR OG1 : rot 88:sc= -0.513 USER MOD Single : A 70 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 25:sc= -6.48! USER MOD Single : A 78 THR OG1 : rot -114:sc= 0.0851 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -155:sc= -0.239 (180deg=-1.51!) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc=-0.00263 (180deg=-0.224) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.9!) USER MOD Single : A 96 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -111:sc= -3.88! (180deg=-6.49!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -15.753 3.050 2.663 1.00 0.00 N ATOM 2 CA THR A -5 -16.054 3.572 1.300 1.00 0.00 C ATOM 3 C THR A -5 -15.418 4.953 1.130 1.00 0.00 C ATOM 4 O THR A -5 -14.788 5.237 0.132 1.00 0.00 O ATOM 5 CB THR A -5 -17.571 3.684 1.119 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.159 2.399 1.272 1.00 0.00 O ATOM 7 CG2 THR A -5 -17.882 4.228 -0.275 1.00 0.00 C ATOM 0 H1 THR A -5 -15.347 2.095 2.587 1.00 0.00 H new ATOM 0 H2 THR A -5 -15.072 3.679 3.133 1.00 0.00 H new ATOM 0 H3 THR A -5 -16.630 3.010 3.221 1.00 0.00 H new ATOM 0 HA THR A -5 -15.648 2.890 0.553 1.00 0.00 H new ATOM 0 HB THR A -5 -17.979 4.362 1.869 1.00 0.00 H new ATOM 0 HG1 THR A -5 -19.130 2.468 1.158 1.00 0.00 H new ATOM 0 HG21 THR A -5 -18.962 4.307 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.430 5.213 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A -5 -17.476 3.552 -1.028 1.00 0.00 H new ATOM 17 N GLU A -4 -15.579 5.813 2.100 1.00 0.00 N ATOM 18 CA GLU A -4 -14.984 7.177 1.999 1.00 0.00 C ATOM 19 C GLU A -4 -13.810 7.296 2.972 1.00 0.00 C ATOM 20 O GLU A -4 -13.773 6.646 3.998 1.00 0.00 O ATOM 21 CB GLU A -4 -16.045 8.222 2.353 1.00 0.00 C ATOM 22 CG GLU A -4 -17.218 8.110 1.377 1.00 0.00 C ATOM 23 CD GLU A -4 -18.242 9.205 1.682 1.00 0.00 C ATOM 24 OE1 GLU A -4 -18.094 9.861 2.700 1.00 0.00 O ATOM 25 OE2 GLU A -4 -19.157 9.369 0.891 1.00 0.00 O ATOM 0 H GLU A -4 -16.098 5.629 2.959 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.631 7.345 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.393 8.071 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.615 9.222 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.862 8.206 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.683 7.128 1.462 1.00 0.00 H new ATOM 32 N PHE A -3 -12.850 8.123 2.658 1.00 0.00 N ATOM 33 CA PHE A -3 -11.679 8.286 3.563 1.00 0.00 C ATOM 34 C PHE A -3 -11.322 9.770 3.673 1.00 0.00 C ATOM 35 O PHE A -3 -11.725 10.576 2.858 1.00 0.00 O ATOM 36 CB PHE A -3 -10.487 7.509 2.999 1.00 0.00 C ATOM 37 CG PHE A -3 -10.088 8.095 1.666 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.746 7.692 0.498 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.058 9.042 1.597 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.376 8.234 -0.738 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.687 9.585 0.361 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.347 9.181 -0.806 1.00 0.00 C ATOM 0 H PHE A -3 -12.827 8.693 1.812 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.926 7.900 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.648 7.554 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.748 6.457 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.540 6.962 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.550 9.353 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.884 7.922 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.893 10.315 0.308 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.062 9.600 -1.760 1.00 0.00 H new ATOM 52 N LYS A -2 -10.570 10.138 4.674 1.00 0.00 N ATOM 53 CA LYS A -2 -10.192 11.570 4.835 1.00 0.00 C ATOM 54 C LYS A -2 -8.928 11.855 4.022 1.00 0.00 C ATOM 55 O LYS A -2 -8.026 11.045 3.955 1.00 0.00 O ATOM 56 CB LYS A -2 -9.924 11.865 6.312 1.00 0.00 C ATOM 57 CG LYS A -2 -11.134 11.452 7.156 1.00 0.00 C ATOM 58 CD LYS A -2 -12.337 12.338 6.818 1.00 0.00 C ATOM 59 CE LYS A -2 -13.401 12.186 7.907 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.363 13.373 8.808 1.00 0.00 N ATOM 0 H LYS A -2 -10.201 9.509 5.387 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.005 12.203 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.037 11.325 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.720 12.927 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.378 10.406 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.895 11.539 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.025 13.380 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.749 12.056 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.388 12.091 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.223 11.276 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.086 13.270 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.424 13.444 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.553 14.234 8.256 1.00 0.00 H new ATOM 74 N ALA A -1 -8.856 13.001 3.401 1.00 0.00 N ATOM 75 CA ALA A -1 -7.654 13.336 2.591 1.00 0.00 C ATOM 76 C ALA A -1 -6.753 14.293 3.375 1.00 0.00 C ATOM 77 O ALA A -1 -6.918 14.485 4.563 1.00 0.00 O ATOM 78 CB ALA A -1 -8.091 14.005 1.287 1.00 0.00 C ATOM 0 H ALA A -1 -9.580 13.720 3.421 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.103 12.422 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.212 14.251 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.730 13.324 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.643 14.917 1.513 1.00 0.00 H new ATOM 84 N GLY A 1 -5.802 14.896 2.716 1.00 0.00 N ATOM 85 CA GLY A 1 -4.888 15.842 3.417 1.00 0.00 C ATOM 86 C GLY A 1 -4.073 16.619 2.380 1.00 0.00 C ATOM 87 O GLY A 1 -4.366 17.757 2.073 1.00 0.00 O ATOM 0 H GLY A 1 -5.618 14.774 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.463 16.531 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.222 15.295 4.085 1.00 0.00 H new ATOM 91 N SER A 2 -3.057 16.009 1.833 1.00 0.00 N ATOM 92 CA SER A 2 -2.232 16.705 0.813 1.00 0.00 C ATOM 93 C SER A 2 -1.559 15.664 -0.082 1.00 0.00 C ATOM 94 O SER A 2 -0.757 14.869 0.368 1.00 0.00 O ATOM 95 CB SER A 2 -1.163 17.551 1.507 1.00 0.00 C ATOM 96 OG SER A 2 -0.049 16.730 1.827 1.00 0.00 O ATOM 0 H SER A 2 -2.764 15.056 2.051 1.00 0.00 H new ATOM 0 HA SER A 2 -2.867 17.354 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.852 18.369 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.570 18.001 2.413 1.00 0.00 H new ATOM 0 HG SER A 2 -0.295 15.788 1.718 1.00 0.00 H new ATOM 102 N ALA A 3 -1.880 15.661 -1.345 1.00 0.00 N ATOM 103 CA ALA A 3 -1.262 14.671 -2.269 1.00 0.00 C ATOM 104 C ALA A 3 0.232 14.965 -2.416 1.00 0.00 C ATOM 105 O ALA A 3 1.029 14.080 -2.653 1.00 0.00 O ATOM 106 CB ALA A 3 -1.938 14.765 -3.637 1.00 0.00 C ATOM 0 H ALA A 3 -2.545 16.302 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.392 13.667 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.487 14.041 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.002 14.551 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.807 15.770 -4.039 1.00 0.00 H new ATOM 112 N LYS A 4 0.617 16.205 -2.287 1.00 0.00 N ATOM 113 CA LYS A 4 2.057 16.555 -2.433 1.00 0.00 C ATOM 114 C LYS A 4 2.886 15.708 -1.464 1.00 0.00 C ATOM 115 O LYS A 4 3.721 14.924 -1.869 1.00 0.00 O ATOM 116 CB LYS A 4 2.276 18.040 -2.111 1.00 0.00 C ATOM 117 CG LYS A 4 0.935 18.745 -1.880 1.00 0.00 C ATOM 118 CD LYS A 4 0.116 18.749 -3.175 1.00 0.00 C ATOM 119 CE LYS A 4 -1.368 18.562 -2.844 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.198 19.162 -3.926 1.00 0.00 N ATOM 0 H LYS A 4 -0.003 16.990 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 4 2.366 16.360 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.902 18.137 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.809 18.521 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.380 18.239 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.105 19.768 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.265 19.688 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.455 17.950 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.598 17.501 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.601 19.033 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.206 19.035 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.986 20.177 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.983 18.693 -4.829 1.00 0.00 H new ATOM 134 N LYS A 5 2.662 15.859 -0.188 1.00 0.00 N ATOM 135 CA LYS A 5 3.436 15.064 0.803 1.00 0.00 C ATOM 136 C LYS A 5 3.161 13.575 0.592 1.00 0.00 C ATOM 137 O LYS A 5 4.043 12.746 0.705 1.00 0.00 O ATOM 138 CB LYS A 5 3.010 15.467 2.211 1.00 0.00 C ATOM 139 CG LYS A 5 3.378 16.931 2.458 1.00 0.00 C ATOM 140 CD LYS A 5 3.062 17.300 3.909 1.00 0.00 C ATOM 141 CE LYS A 5 3.311 18.794 4.121 1.00 0.00 C ATOM 142 NZ LYS A 5 2.008 19.495 4.296 1.00 0.00 N ATOM 0 H LYS A 5 1.975 16.500 0.210 1.00 0.00 H new ATOM 0 HA LYS A 5 4.501 15.255 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.936 15.326 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.500 14.829 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.437 17.090 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.822 17.576 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.025 17.057 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.684 16.717 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.940 18.948 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.848 19.209 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.177 20.511 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.423 19.358 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.513 19.106 5.123 1.00 0.00 H new ATOM 156 N GLY A 6 1.940 13.229 0.292 1.00 0.00 N ATOM 157 CA GLY A 6 1.602 11.793 0.078 1.00 0.00 C ATOM 158 C GLY A 6 2.416 11.235 -1.086 1.00 0.00 C ATOM 159 O GLY A 6 2.893 10.118 -1.044 1.00 0.00 O ATOM 0 H GLY A 6 1.161 13.879 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.809 11.223 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.537 11.688 -0.129 1.00 0.00 H new ATOM 163 N ALA A 7 2.576 11.999 -2.130 1.00 0.00 N ATOM 164 CA ALA A 7 3.359 11.503 -3.296 1.00 0.00 C ATOM 165 C ALA A 7 4.812 11.293 -2.880 1.00 0.00 C ATOM 166 O ALA A 7 5.418 10.286 -3.190 1.00 0.00 O ATOM 167 CB ALA A 7 3.294 12.531 -4.428 1.00 0.00 C ATOM 0 H ALA A 7 2.200 12.942 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 7 2.940 10.557 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.867 12.169 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.256 12.680 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.713 13.477 -4.085 1.00 0.00 H new ATOM 173 N THR A 8 5.377 12.232 -2.178 1.00 0.00 N ATOM 174 CA THR A 8 6.788 12.086 -1.742 1.00 0.00 C ATOM 175 C THR A 8 6.865 11.104 -0.572 1.00 0.00 C ATOM 176 O THR A 8 7.856 10.426 -0.387 1.00 0.00 O ATOM 177 CB THR A 8 7.324 13.447 -1.303 1.00 0.00 C ATOM 178 OG1 THR A 8 6.660 13.857 -0.116 1.00 0.00 O ATOM 179 CG2 THR A 8 7.080 14.475 -2.409 1.00 0.00 C ATOM 0 H THR A 8 4.920 13.096 -1.887 1.00 0.00 H new ATOM 0 HA THR A 8 7.387 11.707 -2.570 1.00 0.00 H new ATOM 0 HB THR A 8 8.394 13.371 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.754 13.483 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.463 15.446 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.592 14.160 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.010 14.553 -2.604 1.00 0.00 H new ATOM 187 N LEU A 9 5.831 11.019 0.221 1.00 0.00 N ATOM 188 CA LEU A 9 5.862 10.078 1.371 1.00 0.00 C ATOM 189 C LEU A 9 6.123 8.669 0.849 1.00 0.00 C ATOM 190 O LEU A 9 6.930 7.932 1.384 1.00 0.00 O ATOM 191 CB LEU A 9 4.514 10.113 2.094 1.00 0.00 C ATOM 192 CG LEU A 9 4.591 9.254 3.357 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.521 9.915 4.377 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.192 9.115 3.960 1.00 0.00 C ATOM 0 H LEU A 9 4.971 11.559 0.121 1.00 0.00 H new ATOM 0 HA LEU A 9 6.651 10.367 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.255 11.139 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.727 9.743 1.437 1.00 0.00 H new ATOM 0 HG LEU A 9 4.981 8.269 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.573 9.299 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.518 10.016 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.136 10.901 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.243 8.503 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.805 10.102 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.529 8.641 3.236 1.00 0.00 H new ATOM 206 N PHE A 10 5.457 8.293 -0.205 1.00 0.00 N ATOM 207 CA PHE A 10 5.680 6.940 -0.772 1.00 0.00 C ATOM 208 C PHE A 10 7.121 6.844 -1.261 1.00 0.00 C ATOM 209 O PHE A 10 7.814 5.875 -1.016 1.00 0.00 O ATOM 210 CB PHE A 10 4.726 6.705 -1.947 1.00 0.00 C ATOM 211 CG PHE A 10 4.883 5.287 -2.450 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.878 4.982 -3.389 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.033 4.278 -1.979 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.022 3.668 -3.856 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.177 2.965 -2.446 1.00 0.00 C ATOM 216 CZ PHE A 10 5.171 2.659 -3.385 1.00 0.00 C ATOM 0 H PHE A 10 4.769 8.864 -0.696 1.00 0.00 H new ATOM 0 HA PHE A 10 5.494 6.186 -0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.697 6.879 -1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.939 7.412 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.534 5.759 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.266 4.512 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.789 3.433 -4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.521 2.188 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.281 1.647 -3.745 1.00 0.00 H new ATOM 226 N LYS A 11 7.571 7.849 -1.958 1.00 0.00 N ATOM 227 CA LYS A 11 8.959 7.842 -2.481 1.00 0.00 C ATOM 228 C LYS A 11 9.965 7.834 -1.328 1.00 0.00 C ATOM 229 O LYS A 11 11.051 7.301 -1.442 1.00 0.00 O ATOM 230 CB LYS A 11 9.180 9.099 -3.325 1.00 0.00 C ATOM 231 CG LYS A 11 8.214 9.100 -4.509 1.00 0.00 C ATOM 232 CD LYS A 11 8.537 10.276 -5.432 1.00 0.00 C ATOM 233 CE LYS A 11 7.493 10.356 -6.547 1.00 0.00 C ATOM 234 NZ LYS A 11 6.667 11.583 -6.368 1.00 0.00 N ATOM 0 H LYS A 11 7.029 8.682 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 11 9.105 6.947 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.025 9.990 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.209 9.132 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.294 8.161 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.186 9.175 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.548 11.206 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.532 10.153 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.985 10.375 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.857 9.471 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.957 11.637 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.187 11.547 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.280 12.423 -6.407 1.00 0.00 H new ATOM 248 N THR A 12 9.629 8.458 -0.236 1.00 0.00 N ATOM 249 CA THR A 12 10.576 8.533 0.908 1.00 0.00 C ATOM 250 C THR A 12 10.553 7.261 1.768 1.00 0.00 C ATOM 251 O THR A 12 11.361 7.122 2.664 1.00 0.00 O ATOM 252 CB THR A 12 10.197 9.731 1.778 1.00 0.00 C ATOM 253 OG1 THR A 12 8.911 9.516 2.342 1.00 0.00 O ATOM 254 CG2 THR A 12 10.176 10.999 0.924 1.00 0.00 C ATOM 0 H THR A 12 8.733 8.922 -0.086 1.00 0.00 H new ATOM 0 HA THR A 12 11.583 8.639 0.505 1.00 0.00 H new ATOM 0 HB THR A 12 10.930 9.847 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.442 8.823 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.906 11.852 1.546 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.163 11.163 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.444 10.887 0.124 1.00 0.00 H new ATOM 262 N ARG A 13 9.642 6.344 1.547 1.00 0.00 N ATOM 263 CA ARG A 13 9.631 5.129 2.424 1.00 0.00 C ATOM 264 C ARG A 13 9.273 3.851 1.650 1.00 0.00 C ATOM 265 O ARG A 13 10.037 2.907 1.624 1.00 0.00 O ATOM 266 CB ARG A 13 8.611 5.333 3.544 1.00 0.00 C ATOM 267 CG ARG A 13 9.015 6.546 4.387 1.00 0.00 C ATOM 268 CD ARG A 13 8.095 6.649 5.604 1.00 0.00 C ATOM 269 NE ARG A 13 8.428 5.564 6.569 1.00 0.00 N ATOM 270 CZ ARG A 13 9.329 5.760 7.495 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.959 6.901 7.568 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.604 4.808 8.345 1.00 0.00 N ATOM 0 H ARG A 13 8.926 6.379 0.821 1.00 0.00 H new ATOM 0 HA ARG A 13 10.637 5.002 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.617 5.484 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.559 4.442 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.052 6.450 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.949 7.456 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.211 7.623 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.053 6.568 5.294 1.00 0.00 H new ATOM 0 HE ARG A 13 7.951 4.665 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.749 7.643 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.662 7.050 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.116 3.914 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.307 4.958 9.069 1.00 0.00 H new ATOM 286 N CYS A 14 8.115 3.789 1.056 1.00 0.00 N ATOM 287 CA CYS A 14 7.719 2.540 0.334 1.00 0.00 C ATOM 288 C CYS A 14 8.708 2.230 -0.793 1.00 0.00 C ATOM 289 O CYS A 14 8.993 1.083 -1.076 1.00 0.00 O ATOM 290 CB CYS A 14 6.314 2.701 -0.244 1.00 0.00 C ATOM 291 SG CYS A 14 5.302 3.772 0.819 1.00 0.00 S ATOM 0 H CYS A 14 7.427 4.542 1.037 1.00 0.00 H new ATOM 0 HA CYS A 14 7.729 1.712 1.043 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.374 3.126 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.841 1.724 -0.340 1.00 0.00 H new ATOM 296 N LEU A 15 9.231 3.229 -1.437 1.00 0.00 N ATOM 297 CA LEU A 15 10.197 2.975 -2.545 1.00 0.00 C ATOM 298 C LEU A 15 11.388 2.167 -2.019 1.00 0.00 C ATOM 299 O LEU A 15 11.977 1.379 -2.730 1.00 0.00 O ATOM 300 CB LEU A 15 10.685 4.312 -3.103 1.00 0.00 C ATOM 301 CG LEU A 15 11.561 4.085 -4.337 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.677 4.005 -5.584 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.535 5.255 -4.484 1.00 0.00 C ATOM 0 H LEU A 15 9.034 4.212 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 15 9.705 2.408 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.832 4.938 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.251 4.847 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 15 12.116 3.154 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.301 3.843 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.975 3.177 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.124 4.937 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.162 5.098 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.975 6.183 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.164 5.319 -3.596 1.00 0.00 H new ATOM 315 N GLN A 16 11.756 2.367 -0.783 1.00 0.00 N ATOM 316 CA GLN A 16 12.920 1.622 -0.222 1.00 0.00 C ATOM 317 C GLN A 16 12.715 0.113 -0.395 1.00 0.00 C ATOM 318 O GLN A 16 13.648 -0.617 -0.663 1.00 0.00 O ATOM 319 CB GLN A 16 13.060 1.947 1.267 1.00 0.00 C ATOM 320 CG GLN A 16 13.400 3.429 1.436 1.00 0.00 C ATOM 321 CD GLN A 16 13.488 3.766 2.925 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.028 3.012 3.760 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.066 4.876 3.298 1.00 0.00 N ATOM 0 H GLN A 16 11.302 3.013 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 16 13.823 1.921 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.132 1.714 1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.841 1.331 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.347 3.654 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.638 4.045 0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.453 5.510 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.131 5.109 4.289 1.00 0.00 H new ATOM 332 N CYS A 17 11.507 -0.364 -0.247 1.00 0.00 N ATOM 333 CA CYS A 17 11.265 -1.829 -0.410 1.00 0.00 C ATOM 334 C CYS A 17 10.649 -2.097 -1.779 1.00 0.00 C ATOM 335 O CYS A 17 11.344 -2.424 -2.721 1.00 0.00 O ATOM 336 CB CYS A 17 10.315 -2.319 0.684 1.00 0.00 C ATOM 337 SG CYS A 17 11.215 -2.464 2.251 1.00 0.00 S ATOM 0 H CYS A 17 10.682 0.192 -0.022 1.00 0.00 H new ATOM 0 HA CYS A 17 12.213 -2.361 -0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.482 -1.625 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.891 -3.284 0.406 1.00 0.00 H new ATOM 342 N HIS A 18 9.356 -1.959 -1.901 1.00 0.00 N ATOM 343 CA HIS A 18 8.707 -2.205 -3.212 1.00 0.00 C ATOM 344 C HIS A 18 8.130 -0.896 -3.747 1.00 0.00 C ATOM 345 O HIS A 18 7.660 -0.058 -3.004 1.00 0.00 O ATOM 346 CB HIS A 18 7.593 -3.236 -3.053 1.00 0.00 C ATOM 347 CG HIS A 18 6.595 -2.776 -2.031 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.584 -1.875 -2.342 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.415 -3.104 -0.709 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.846 -1.695 -1.230 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.313 -2.421 -0.217 1.00 0.00 N ATOM 0 H HIS A 18 8.725 -1.687 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 18 9.446 -2.588 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.096 -3.394 -4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.016 -4.194 -2.752 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.429 -1.431 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.033 -3.785 -0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.986 -1.045 -1.168 1.00 0.00 H new ATOM 359 N THR A 19 8.180 -0.716 -5.034 1.00 0.00 N ATOM 360 CA THR A 19 7.654 0.540 -5.638 1.00 0.00 C ATOM 361 C THR A 19 6.320 0.263 -6.334 1.00 0.00 C ATOM 362 O THR A 19 5.988 -0.866 -6.632 1.00 0.00 O ATOM 363 CB THR A 19 8.658 1.053 -6.672 1.00 0.00 C ATOM 364 OG1 THR A 19 8.485 0.338 -7.887 1.00 0.00 O ATOM 365 CG2 THR A 19 10.080 0.837 -6.154 1.00 0.00 C ATOM 0 H THR A 19 8.564 -1.387 -5.699 1.00 0.00 H new ATOM 0 HA THR A 19 7.506 1.284 -4.855 1.00 0.00 H new ATOM 0 HB THR A 19 8.493 2.116 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.318 -0.126 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.795 1.203 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.213 1.381 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.247 -0.226 -5.983 1.00 0.00 H new ATOM 373 N VAL A 20 5.561 1.292 -6.605 1.00 0.00 N ATOM 374 CA VAL A 20 4.252 1.102 -7.294 1.00 0.00 C ATOM 375 C VAL A 20 4.302 1.780 -8.664 1.00 0.00 C ATOM 376 O VAL A 20 3.290 1.990 -9.302 1.00 0.00 O ATOM 377 CB VAL A 20 3.129 1.717 -6.458 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.031 0.987 -5.119 1.00 0.00 C ATOM 379 CG2 VAL A 20 3.433 3.196 -6.210 1.00 0.00 C ATOM 0 H VAL A 20 5.793 2.259 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 20 4.059 0.036 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 20 2.184 1.623 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.230 1.426 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.817 -0.067 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.975 1.081 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.634 3.637 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.378 3.288 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.504 3.718 -7.164 1.00 0.00 H new ATOM 389 N GLU A 21 5.475 2.121 -9.121 1.00 0.00 N ATOM 390 CA GLU A 21 5.594 2.781 -10.450 1.00 0.00 C ATOM 391 C GLU A 21 5.447 1.726 -11.546 1.00 0.00 C ATOM 392 O GLU A 21 5.856 0.594 -11.387 1.00 0.00 O ATOM 393 CB GLU A 21 6.964 3.455 -10.567 1.00 0.00 C ATOM 394 CG GLU A 21 7.029 4.257 -11.868 1.00 0.00 C ATOM 395 CD GLU A 21 8.431 4.846 -12.033 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.264 4.596 -11.178 1.00 0.00 O ATOM 397 OE2 GLU A 21 8.649 5.539 -13.015 1.00 0.00 O ATOM 0 H GLU A 21 6.357 1.971 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 21 4.814 3.534 -10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.132 4.112 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.753 2.703 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.790 3.615 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.287 5.055 -11.853 1.00 0.00 H new ATOM 404 N LYS A 22 4.859 2.081 -12.654 1.00 0.00 N ATOM 405 CA LYS A 22 4.683 1.088 -13.749 1.00 0.00 C ATOM 406 C LYS A 22 6.045 0.506 -14.130 1.00 0.00 C ATOM 407 O LYS A 22 6.947 1.217 -14.526 1.00 0.00 O ATOM 408 CB LYS A 22 4.066 1.776 -14.967 1.00 0.00 C ATOM 409 CG LYS A 22 2.667 2.287 -14.614 1.00 0.00 C ATOM 410 CD LYS A 22 2.007 2.874 -15.864 1.00 0.00 C ATOM 411 CE LYS A 22 0.663 3.499 -15.488 1.00 0.00 C ATOM 412 NZ LYS A 22 0.808 4.980 -15.411 1.00 0.00 N ATOM 0 H LYS A 22 4.494 3.013 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 22 4.025 0.287 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.697 2.605 -15.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.009 1.078 -15.802 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.060 1.473 -14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.731 3.045 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.657 3.626 -16.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.861 2.094 -16.611 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.093 3.235 -16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.322 3.106 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.106 5.405 -15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.517 5.222 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.115 5.347 -16.334 1.00 0.00 H new ATOM 426 N GLY A 23 6.199 -0.785 -14.015 1.00 0.00 N ATOM 427 CA GLY A 23 7.501 -1.416 -14.372 1.00 0.00 C ATOM 428 C GLY A 23 8.504 -1.210 -13.234 1.00 0.00 C ATOM 429 O GLY A 23 9.701 -1.281 -13.433 1.00 0.00 O ATOM 0 H GLY A 23 5.479 -1.430 -13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.361 -2.481 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.887 -0.980 -15.293 1.00 0.00 H new ATOM 433 N GLY A 24 8.032 -0.956 -12.043 1.00 0.00 N ATOM 434 CA GLY A 24 8.968 -0.748 -10.904 1.00 0.00 C ATOM 435 C GLY A 24 9.736 -2.050 -10.631 1.00 0.00 C ATOM 436 O GLY A 24 9.185 -3.127 -10.741 1.00 0.00 O ATOM 0 H GLY A 24 7.041 -0.884 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.666 0.057 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.415 -0.446 -10.015 1.00 0.00 H new ATOM 440 N PRO A 25 10.998 -1.960 -10.279 1.00 0.00 N ATOM 441 CA PRO A 25 11.838 -3.161 -9.991 1.00 0.00 C ATOM 442 C PRO A 25 11.507 -3.801 -8.640 1.00 0.00 C ATOM 443 O PRO A 25 11.197 -3.121 -7.681 1.00 0.00 O ATOM 444 CB PRO A 25 13.261 -2.608 -9.967 1.00 0.00 C ATOM 445 CG PRO A 25 13.112 -1.184 -9.555 1.00 0.00 C ATOM 446 CD PRO A 25 11.769 -0.713 -10.113 1.00 0.00 C ATOM 0 HA PRO A 25 11.677 -3.946 -10.730 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.887 -3.159 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.733 -2.689 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.137 -1.089 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.929 -0.579 -9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.272 -0.024 -9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.892 -0.190 -11.061 1.00 0.00 H new ATOM 454 N HIS A 26 11.591 -5.098 -8.551 1.00 0.00 N ATOM 455 CA HIS A 26 11.305 -5.773 -7.256 1.00 0.00 C ATOM 456 C HIS A 26 12.588 -5.770 -6.421 1.00 0.00 C ATOM 457 O HIS A 26 13.204 -6.796 -6.211 1.00 0.00 O ATOM 458 CB HIS A 26 10.873 -7.220 -7.510 1.00 0.00 C ATOM 459 CG HIS A 26 9.616 -7.239 -8.326 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.447 -6.616 -7.913 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.328 -7.815 -9.534 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.518 -6.829 -8.864 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.007 -7.554 -9.872 1.00 0.00 N ATOM 0 H HIS A 26 11.845 -5.720 -9.319 1.00 0.00 H new ATOM 0 HA HIS A 26 10.505 -5.250 -6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.664 -7.759 -8.031 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.710 -7.732 -6.562 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.316 -6.093 -7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.023 -8.385 -10.133 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.504 -6.459 -8.817 1.00 0.00 H new ATOM 472 N LYS A 27 13.010 -4.623 -5.965 1.00 0.00 N ATOM 473 CA LYS A 27 14.267 -4.551 -5.169 1.00 0.00 C ATOM 474 C LYS A 27 14.226 -5.588 -4.054 1.00 0.00 C ATOM 475 O LYS A 27 15.200 -6.255 -3.773 1.00 0.00 O ATOM 476 CB LYS A 27 14.374 -3.166 -4.542 1.00 0.00 C ATOM 477 CG LYS A 27 14.280 -2.113 -5.637 1.00 0.00 C ATOM 478 CD LYS A 27 14.549 -0.728 -5.044 1.00 0.00 C ATOM 479 CE LYS A 27 14.342 0.339 -6.120 1.00 0.00 C ATOM 480 NZ LYS A 27 12.913 0.762 -6.130 1.00 0.00 N ATOM 0 H LYS A 27 12.537 -3.731 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 27 15.121 -4.743 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.577 -3.021 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.318 -3.068 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.002 -2.328 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.291 -2.138 -6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.880 -0.545 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.567 -0.678 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.985 1.197 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.623 -0.055 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.839 1.725 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.362 0.108 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.540 0.749 -5.159 1.00 0.00 H new ATOM 494 N VAL A 28 13.102 -5.725 -3.415 1.00 0.00 N ATOM 495 CA VAL A 28 13.000 -6.722 -2.311 1.00 0.00 C ATOM 496 C VAL A 28 11.565 -7.232 -2.198 1.00 0.00 C ATOM 497 O VAL A 28 11.323 -8.419 -2.108 1.00 0.00 O ATOM 498 CB VAL A 28 13.419 -6.067 -0.993 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.335 -5.102 -0.509 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.637 -7.150 0.064 1.00 0.00 C ATOM 0 H VAL A 28 12.252 -5.194 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 28 13.659 -7.563 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 28 14.343 -5.511 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.648 -4.644 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.179 -4.325 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.405 -5.648 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.936 -6.686 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.711 -7.706 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.420 -7.831 -0.269 1.00 0.00 H new ATOM 510 N GLY A 29 10.615 -6.344 -2.191 1.00 0.00 N ATOM 511 CA GLY A 29 9.193 -6.772 -2.073 1.00 0.00 C ATOM 512 C GLY A 29 8.498 -6.639 -3.427 1.00 0.00 C ATOM 513 O GLY A 29 8.930 -5.898 -4.287 1.00 0.00 O ATOM 0 H GLY A 29 10.760 -5.337 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.142 -7.805 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.681 -6.162 -1.329 1.00 0.00 H new ATOM 517 N PRO A 30 7.416 -7.349 -3.607 1.00 0.00 N ATOM 518 CA PRO A 30 6.633 -7.308 -4.871 1.00 0.00 C ATOM 519 C PRO A 30 6.153 -5.891 -5.181 1.00 0.00 C ATOM 520 O PRO A 30 5.736 -5.165 -4.303 1.00 0.00 O ATOM 521 CB PRO A 30 5.439 -8.241 -4.616 1.00 0.00 C ATOM 522 CG PRO A 30 5.404 -8.477 -3.140 1.00 0.00 C ATOM 523 CD PRO A 30 6.824 -8.263 -2.624 1.00 0.00 C ATOM 0 HA PRO A 30 7.229 -7.617 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.510 -7.787 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.555 -9.180 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.709 -7.791 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.061 -9.487 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.826 -7.831 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.375 -9.202 -2.567 1.00 0.00 H new ATOM 531 N ASN A 31 6.218 -5.491 -6.418 1.00 0.00 N ATOM 532 CA ASN A 31 5.775 -4.116 -6.776 1.00 0.00 C ATOM 533 C ASN A 31 4.322 -4.162 -7.254 1.00 0.00 C ATOM 534 O ASN A 31 3.987 -4.882 -8.173 1.00 0.00 O ATOM 535 CB ASN A 31 6.674 -3.577 -7.890 1.00 0.00 C ATOM 536 CG ASN A 31 8.130 -3.630 -7.429 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.007 -3.978 -8.192 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.426 -3.301 -6.200 1.00 0.00 N ATOM 0 H ASN A 31 6.558 -6.055 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 31 5.845 -3.462 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.545 -4.169 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.395 -2.552 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.394 -3.337 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.689 -3.008 -5.559 1.00 0.00 H new ATOM 545 N LEU A 32 3.457 -3.405 -6.627 1.00 0.00 N ATOM 546 CA LEU A 32 2.022 -3.414 -7.035 1.00 0.00 C ATOM 547 C LEU A 32 1.603 -2.034 -7.533 1.00 0.00 C ATOM 548 O LEU A 32 2.084 -1.020 -7.071 1.00 0.00 O ATOM 549 CB LEU A 32 1.148 -3.779 -5.841 1.00 0.00 C ATOM 550 CG LEU A 32 1.844 -3.381 -4.538 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.837 -3.434 -3.388 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.994 -4.347 -4.243 1.00 0.00 C ATOM 0 H LEU A 32 3.684 -2.782 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 32 1.898 -4.147 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.185 -3.273 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.946 -4.850 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 32 2.239 -2.370 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.331 -3.151 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.018 -2.743 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.443 -4.446 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.484 -4.056 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.603 -5.360 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.715 -4.314 -5.059 1.00 0.00 H new ATOM 564 N HIS A 33 0.697 -1.992 -8.467 1.00 0.00 N ATOM 565 CA HIS A 33 0.229 -0.685 -8.996 1.00 0.00 C ATOM 566 C HIS A 33 -1.167 -0.851 -9.596 1.00 0.00 C ATOM 567 O HIS A 33 -1.351 -1.533 -10.585 1.00 0.00 O ATOM 568 CB HIS A 33 1.200 -0.208 -10.071 1.00 0.00 C ATOM 569 CG HIS A 33 0.658 1.029 -10.732 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.550 2.241 -10.062 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.189 1.260 -12.002 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.036 3.137 -10.924 1.00 0.00 C ATOM 573 NE2 HIS A 33 -0.201 2.589 -12.118 1.00 0.00 N ATOM 0 H HIS A 33 0.259 -2.811 -8.888 1.00 0.00 H new ATOM 0 HA HIS A 33 0.187 0.049 -8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.173 0.002 -9.628 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.350 -0.992 -10.813 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.813 2.419 -9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.132 0.523 -12.789 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.160 4.171 -10.680 1.00 0.00 H new ATOM 582 N GLY A 34 -2.153 -0.235 -9.008 1.00 0.00 N ATOM 583 CA GLY A 34 -3.536 -0.359 -9.546 1.00 0.00 C ATOM 584 C GLY A 34 -4.232 -1.557 -8.898 1.00 0.00 C ATOM 585 O GLY A 34 -5.326 -1.928 -9.273 1.00 0.00 O ATOM 0 H GLY A 34 -2.061 0.350 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.098 0.553 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.506 -0.484 -10.628 1.00 0.00 H new ATOM 589 N ILE A 35 -3.607 -2.167 -7.926 1.00 0.00 N ATOM 590 CA ILE A 35 -4.241 -3.340 -7.261 1.00 0.00 C ATOM 591 C ILE A 35 -5.441 -2.874 -6.442 1.00 0.00 C ATOM 592 O ILE A 35 -6.195 -3.671 -5.923 1.00 0.00 O ATOM 593 CB ILE A 35 -3.236 -4.021 -6.333 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.915 -3.091 -5.160 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.958 -4.332 -7.106 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.660 -3.567 -3.911 1.00 0.00 C ATOM 0 H ILE A 35 -2.689 -1.905 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.565 -4.048 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.662 -4.949 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.841 -3.081 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.206 -2.069 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.241 -4.818 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.189 -4.995 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.529 -3.405 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.431 -2.905 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.733 -3.554 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.347 -4.582 -3.665 1.00 0.00 H new ATOM 608 N PHE A 36 -5.625 -1.590 -6.323 1.00 0.00 N ATOM 609 CA PHE A 36 -6.779 -1.081 -5.536 1.00 0.00 C ATOM 610 C PHE A 36 -8.042 -1.839 -5.948 1.00 0.00 C ATOM 611 O PHE A 36 -8.982 -1.949 -5.190 1.00 0.00 O ATOM 612 CB PHE A 36 -6.959 0.414 -5.806 1.00 0.00 C ATOM 613 CG PHE A 36 -6.096 1.208 -4.852 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.698 1.112 -4.912 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.699 2.043 -3.903 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.910 1.851 -4.021 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.910 2.780 -3.015 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.516 2.683 -3.072 1.00 0.00 C ATOM 0 H PHE A 36 -5.028 -0.873 -6.736 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.597 -1.233 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.686 0.643 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.006 0.693 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.230 0.470 -5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.775 2.118 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.833 1.779 -4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.377 3.424 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.907 3.250 -2.384 1.00 0.00 H new ATOM 628 N GLY A 37 -8.067 -2.364 -7.145 1.00 0.00 N ATOM 629 CA GLY A 37 -9.267 -3.123 -7.610 1.00 0.00 C ATOM 630 C GLY A 37 -8.894 -4.592 -7.832 1.00 0.00 C ATOM 631 O GLY A 37 -9.448 -5.257 -8.684 1.00 0.00 O ATOM 0 H GLY A 37 -7.307 -2.300 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.065 -3.048 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.647 -2.690 -8.535 1.00 0.00 H new ATOM 635 N ARG A 38 -7.956 -5.100 -7.075 1.00 0.00 N ATOM 636 CA ARG A 38 -7.541 -6.527 -7.246 1.00 0.00 C ATOM 637 C ARG A 38 -7.543 -7.249 -5.904 1.00 0.00 C ATOM 638 O ARG A 38 -7.704 -6.653 -4.858 1.00 0.00 O ATOM 639 CB ARG A 38 -6.128 -6.595 -7.825 1.00 0.00 C ATOM 640 CG ARG A 38 -6.125 -6.126 -9.281 1.00 0.00 C ATOM 641 CD ARG A 38 -6.630 -7.254 -10.189 1.00 0.00 C ATOM 642 NE ARG A 38 -6.394 -6.883 -11.613 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.066 -7.475 -12.562 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.943 -8.395 -12.265 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.860 -7.149 -13.809 1.00 0.00 N ATOM 0 H ARG A 38 -7.459 -4.589 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.250 -7.005 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.456 -5.972 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.752 -7.616 -7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.759 -5.246 -9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.118 -5.832 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.114 -8.185 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.693 -7.426 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.707 -6.166 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.103 -8.651 -11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.468 -8.858 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.174 -6.431 -14.042 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.385 -7.612 -14.551 1.00 0.00 H new ATOM 659 N HIS A 39 -7.348 -8.536 -5.939 1.00 0.00 N ATOM 660 CA HIS A 39 -7.317 -9.325 -4.682 1.00 0.00 C ATOM 661 C HIS A 39 -5.891 -9.362 -4.150 1.00 0.00 C ATOM 662 O HIS A 39 -4.938 -9.434 -4.900 1.00 0.00 O ATOM 663 CB HIS A 39 -7.794 -10.747 -4.958 1.00 0.00 C ATOM 664 CG HIS A 39 -9.294 -10.787 -4.902 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.077 -10.084 -5.798 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.167 -11.446 -4.073 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.362 -10.332 -5.500 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.473 -11.157 -4.456 1.00 0.00 N ATOM 0 H HIS A 39 -7.208 -9.078 -6.792 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.973 -8.863 -3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.446 -11.076 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.373 -11.433 -4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.884 -12.088 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.201 -9.916 -6.038 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.333 -11.502 -4.030 1.00 0.00 H new ATOM 677 N SER A 40 -5.737 -9.307 -2.862 1.00 0.00 N ATOM 678 CA SER A 40 -4.375 -9.332 -2.285 1.00 0.00 C ATOM 679 C SER A 40 -3.634 -10.568 -2.778 1.00 0.00 C ATOM 680 O SER A 40 -4.179 -11.652 -2.841 1.00 0.00 O ATOM 681 CB SER A 40 -4.475 -9.377 -0.764 1.00 0.00 C ATOM 682 OG SER A 40 -4.731 -8.072 -0.273 1.00 0.00 O ATOM 0 H SER A 40 -6.497 -9.246 -2.185 1.00 0.00 H new ATOM 0 HA SER A 40 -3.833 -8.438 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.272 -10.055 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.549 -9.763 -0.338 1.00 0.00 H new ATOM 0 HG SER A 40 -5.287 -7.584 -0.916 1.00 0.00 H new ATOM 688 N GLY A 41 -2.390 -10.414 -3.114 1.00 0.00 N ATOM 689 CA GLY A 41 -1.600 -11.578 -3.588 1.00 0.00 C ATOM 690 C GLY A 41 -1.504 -11.577 -5.113 1.00 0.00 C ATOM 691 O GLY A 41 -0.871 -12.436 -5.696 1.00 0.00 O ATOM 0 H GLY A 41 -1.883 -9.529 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.600 -11.546 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.065 -12.503 -3.248 1.00 0.00 H new ATOM 695 N GLN A 42 -2.117 -10.631 -5.774 1.00 0.00 N ATOM 696 CA GLN A 42 -2.034 -10.610 -7.262 1.00 0.00 C ATOM 697 C GLN A 42 -0.981 -9.595 -7.708 1.00 0.00 C ATOM 698 O GLN A 42 -1.087 -8.414 -7.445 1.00 0.00 O ATOM 699 CB GLN A 42 -3.400 -10.236 -7.842 1.00 0.00 C ATOM 700 CG GLN A 42 -4.402 -11.331 -7.481 1.00 0.00 C ATOM 701 CD GLN A 42 -5.786 -10.957 -8.014 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.028 -9.820 -8.367 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.713 -11.873 -8.087 1.00 0.00 N ATOM 0 H GLN A 42 -2.665 -9.881 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.747 -11.597 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.729 -9.276 -7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.334 -10.126 -8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.083 -12.283 -7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.441 -11.460 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.511 -12.828 -7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.640 -11.634 -8.440 1.00 0.00 H new ATOM 712 N ALA A 43 0.037 -10.053 -8.386 1.00 0.00 N ATOM 713 CA ALA A 43 1.105 -9.126 -8.859 1.00 0.00 C ATOM 714 C ALA A 43 1.803 -9.735 -10.077 1.00 0.00 C ATOM 715 O ALA A 43 2.492 -10.731 -9.979 1.00 0.00 O ATOM 716 CB ALA A 43 2.129 -8.911 -7.743 1.00 0.00 C ATOM 0 H ALA A 43 0.175 -11.033 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 43 0.660 -8.169 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.909 -8.233 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.634 -8.479 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.575 -9.867 -7.469 1.00 0.00 H new ATOM 722 N GLU A 44 1.632 -9.140 -11.226 1.00 0.00 N ATOM 723 CA GLU A 44 2.285 -9.678 -12.450 1.00 0.00 C ATOM 724 C GLU A 44 3.799 -9.522 -12.323 1.00 0.00 C ATOM 725 O GLU A 44 4.558 -10.376 -12.737 1.00 0.00 O ATOM 726 CB GLU A 44 1.792 -8.904 -13.674 1.00 0.00 C ATOM 727 CG GLU A 44 0.293 -9.148 -13.859 1.00 0.00 C ATOM 728 CD GLU A 44 -0.502 -8.192 -12.964 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.118 -7.389 -12.288 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.718 -8.282 -12.971 1.00 0.00 O ATOM 0 H GLU A 44 1.067 -8.303 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 44 2.035 -10.733 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.985 -7.839 -13.547 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.336 -9.223 -14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.017 -8.998 -14.903 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.050 -10.181 -13.610 1.00 0.00 H new ATOM 737 N GLY A 45 4.245 -8.439 -11.747 1.00 0.00 N ATOM 738 CA GLY A 45 5.710 -8.240 -11.588 1.00 0.00 C ATOM 739 C GLY A 45 6.279 -9.413 -10.796 1.00 0.00 C ATOM 740 O GLY A 45 7.325 -9.943 -11.111 1.00 0.00 O ATOM 0 H GLY A 45 3.660 -7.688 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.191 -8.174 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.910 -7.302 -11.070 1.00 0.00 H new ATOM 744 N TYR A 46 5.587 -9.832 -9.772 1.00 0.00 N ATOM 745 CA TYR A 46 6.077 -10.981 -8.965 1.00 0.00 C ATOM 746 C TYR A 46 4.975 -11.463 -8.026 1.00 0.00 C ATOM 747 O TYR A 46 4.322 -10.682 -7.362 1.00 0.00 O ATOM 748 CB TYR A 46 7.303 -10.559 -8.152 1.00 0.00 C ATOM 749 CG TYR A 46 7.467 -11.487 -6.971 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.437 -12.874 -7.157 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.640 -10.958 -5.687 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.582 -13.730 -6.058 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.782 -11.811 -4.590 1.00 0.00 C ATOM 754 CZ TYR A 46 7.755 -13.197 -4.773 1.00 0.00 C ATOM 755 OH TYR A 46 7.896 -14.041 -3.690 1.00 0.00 O ATOM 0 H TYR A 46 4.704 -9.427 -9.461 1.00 0.00 H new ATOM 0 HA TYR A 46 6.355 -11.794 -9.635 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.195 -10.588 -8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.188 -9.531 -7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.302 -13.284 -8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.664 -9.888 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.561 -14.800 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.913 -11.400 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 46 8.008 -13.510 -2.874 1.00 0.00 H new ATOM 765 N SER A 47 4.766 -12.749 -7.963 1.00 0.00 N ATOM 766 CA SER A 47 3.711 -13.283 -7.065 1.00 0.00 C ATOM 767 C SER A 47 4.098 -12.996 -5.615 1.00 0.00 C ATOM 768 O SER A 47 5.247 -13.094 -5.235 1.00 0.00 O ATOM 769 CB SER A 47 3.579 -14.792 -7.273 1.00 0.00 C ATOM 770 OG SER A 47 3.331 -15.055 -8.649 1.00 0.00 O ATOM 0 H SER A 47 5.281 -13.450 -8.495 1.00 0.00 H new ATOM 0 HA SER A 47 2.758 -12.806 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.491 -15.296 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.766 -15.185 -6.663 1.00 0.00 H new ATOM 0 HG SER A 47 3.247 -16.022 -8.787 1.00 0.00 H new ATOM 776 N TYR A 48 3.146 -12.638 -4.804 1.00 0.00 N ATOM 777 CA TYR A 48 3.449 -12.338 -3.375 1.00 0.00 C ATOM 778 C TYR A 48 3.971 -13.588 -2.660 1.00 0.00 C ATOM 779 O TYR A 48 4.243 -14.604 -3.269 1.00 0.00 O ATOM 780 CB TYR A 48 2.176 -11.865 -2.687 1.00 0.00 C ATOM 781 CG TYR A 48 1.840 -10.466 -3.145 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.217 -10.258 -4.380 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.143 -9.379 -2.322 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.899 -8.957 -4.791 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.828 -8.079 -2.732 1.00 0.00 C ATOM 786 CZ TYR A 48 1.205 -7.868 -3.966 1.00 0.00 C ATOM 787 OH TYR A 48 0.892 -6.588 -4.370 1.00 0.00 O ATOM 0 H TYR A 48 2.166 -12.539 -5.068 1.00 0.00 H new ATOM 0 HA TYR A 48 4.215 -11.564 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.353 -12.541 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.308 -11.882 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.982 -11.099 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.621 -9.542 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.418 -8.794 -5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.066 -7.239 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 48 0.113 -6.268 -3.869 1.00 0.00 H new ATOM 797 N THR A 49 4.110 -13.511 -1.362 1.00 0.00 N ATOM 798 CA THR A 49 4.611 -14.679 -0.580 1.00 0.00 C ATOM 799 C THR A 49 3.507 -15.732 -0.467 1.00 0.00 C ATOM 800 O THR A 49 2.337 -15.414 -0.406 1.00 0.00 O ATOM 801 CB THR A 49 5.013 -14.215 0.821 1.00 0.00 C ATOM 802 OG1 THR A 49 5.935 -13.140 0.716 1.00 0.00 O ATOM 803 CG2 THR A 49 5.660 -15.376 1.579 1.00 0.00 C ATOM 0 H THR A 49 3.896 -12.683 -0.807 1.00 0.00 H new ATOM 0 HA THR A 49 5.474 -15.111 -1.086 1.00 0.00 H new ATOM 0 HB THR A 49 4.128 -13.881 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.546 -12.335 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.946 -15.044 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.950 -16.199 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.546 -15.713 1.041 1.00 0.00 H new ATOM 811 N ASP A 50 3.868 -16.984 -0.441 1.00 0.00 N ATOM 812 CA ASP A 50 2.839 -18.054 -0.339 1.00 0.00 C ATOM 813 C ASP A 50 1.877 -17.742 0.811 1.00 0.00 C ATOM 814 O ASP A 50 0.689 -17.977 0.713 1.00 0.00 O ATOM 815 CB ASP A 50 3.533 -19.391 -0.075 1.00 0.00 C ATOM 816 CG ASP A 50 4.322 -19.811 -1.317 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.133 -19.194 -2.352 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.102 -20.743 -1.211 1.00 0.00 O ATOM 0 H ASP A 50 4.833 -17.312 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 50 2.276 -18.107 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.202 -19.303 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.795 -20.153 0.175 1.00 0.00 H new ATOM 823 N ALA A 51 2.372 -17.214 1.898 1.00 0.00 N ATOM 824 CA ALA A 51 1.468 -16.892 3.039 1.00 0.00 C ATOM 825 C ALA A 51 0.473 -15.817 2.603 1.00 0.00 C ATOM 826 O ALA A 51 -0.727 -15.992 2.689 1.00 0.00 O ATOM 827 CB ALA A 51 2.294 -16.372 4.215 1.00 0.00 C ATOM 0 H ALA A 51 3.357 -16.993 2.045 1.00 0.00 H new ATOM 0 HA ALA A 51 0.930 -17.790 3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.632 -16.137 5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.009 -17.135 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.831 -15.473 3.913 1.00 0.00 H new ATOM 833 N ASN A 52 0.966 -14.709 2.126 1.00 0.00 N ATOM 834 CA ASN A 52 0.060 -13.621 1.670 1.00 0.00 C ATOM 835 C ASN A 52 -0.861 -14.156 0.572 1.00 0.00 C ATOM 836 O ASN A 52 -2.044 -13.881 0.547 1.00 0.00 O ATOM 837 CB ASN A 52 0.902 -12.472 1.114 1.00 0.00 C ATOM 838 CG ASN A 52 -0.013 -11.340 0.652 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.201 -11.361 0.905 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.494 -10.344 -0.022 1.00 0.00 N ATOM 0 H ASN A 52 1.962 -14.510 2.032 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.542 -13.265 2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.589 -12.108 1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.510 -12.824 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.107 -9.583 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.492 -10.327 -0.234 1.00 0.00 H new ATOM 847 N ILE A 53 -0.322 -14.920 -0.338 1.00 0.00 N ATOM 848 CA ILE A 53 -1.156 -15.478 -1.438 1.00 0.00 C ATOM 849 C ILE A 53 -2.186 -16.450 -0.866 1.00 0.00 C ATOM 850 O ILE A 53 -3.292 -16.553 -1.356 1.00 0.00 O ATOM 851 CB ILE A 53 -0.262 -16.206 -2.436 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.720 -15.208 -3.052 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.124 -16.824 -3.538 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.725 -15.954 -3.931 1.00 0.00 C ATOM 0 H ILE A 53 0.663 -15.182 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.676 -14.664 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 53 0.290 -16.995 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.180 -14.470 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.243 -14.664 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.485 -17.344 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.826 -17.531 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.676 -16.037 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.424 -15.242 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.274 -16.675 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.194 -16.478 -4.726 1.00 0.00 H new ATOM 866 N LYS A 54 -1.838 -17.164 0.170 1.00 0.00 N ATOM 867 CA LYS A 54 -2.813 -18.119 0.763 1.00 0.00 C ATOM 868 C LYS A 54 -4.093 -17.362 1.106 1.00 0.00 C ATOM 869 O LYS A 54 -5.188 -17.830 0.866 1.00 0.00 O ATOM 870 CB LYS A 54 -2.224 -18.729 2.032 1.00 0.00 C ATOM 871 CG LYS A 54 -3.213 -19.734 2.619 1.00 0.00 C ATOM 872 CD LYS A 54 -2.590 -20.415 3.839 1.00 0.00 C ATOM 873 CE LYS A 54 -2.399 -19.390 4.959 1.00 0.00 C ATOM 874 NZ LYS A 54 -1.096 -18.691 4.775 1.00 0.00 N ATOM 0 H LYS A 54 -0.927 -17.127 0.628 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.032 -18.916 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.278 -19.222 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.010 -17.946 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.135 -19.228 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.477 -20.480 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.231 -21.227 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.631 -20.858 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.216 -18.668 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.424 -19.886 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.564 -18.707 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.545 -19.172 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.268 -17.705 4.492 1.00 0.00 H new ATOM 888 N LYS A 55 -3.956 -16.186 1.648 1.00 0.00 N ATOM 889 CA LYS A 55 -5.153 -15.373 1.993 1.00 0.00 C ATOM 890 C LYS A 55 -5.233 -14.197 1.020 1.00 0.00 C ATOM 891 O LYS A 55 -4.308 -13.418 0.906 1.00 0.00 O ATOM 892 CB LYS A 55 -5.014 -14.844 3.421 1.00 0.00 C ATOM 893 CG LYS A 55 -6.351 -14.262 3.885 1.00 0.00 C ATOM 894 CD LYS A 55 -6.196 -13.678 5.290 1.00 0.00 C ATOM 895 CE LYS A 55 -7.566 -13.252 5.821 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.930 -14.100 6.991 1.00 0.00 N ATOM 0 H LYS A 55 -3.060 -15.750 1.868 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.055 -15.981 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.704 -15.648 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.239 -14.079 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.682 -13.488 3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.117 -15.038 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.750 -14.418 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.521 -12.822 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.545 -12.202 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.318 -13.351 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.861 -13.811 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.966 -15.097 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.217 -13.984 7.739 1.00 0.00 H new ATOM 910 N ASN A 56 -6.324 -14.063 0.312 1.00 0.00 N ATOM 911 CA ASN A 56 -6.445 -12.935 -0.657 1.00 0.00 C ATOM 912 C ASN A 56 -7.777 -12.213 -0.451 1.00 0.00 C ATOM 913 O ASN A 56 -8.784 -12.819 -0.143 1.00 0.00 O ATOM 914 CB ASN A 56 -6.357 -13.482 -2.080 1.00 0.00 C ATOM 915 CG ASN A 56 -7.635 -14.253 -2.418 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.389 -14.616 -1.537 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.912 -14.519 -3.665 1.00 0.00 N ATOM 0 H ASN A 56 -7.133 -14.683 0.363 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.635 -12.225 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.217 -12.664 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.490 -14.136 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.762 -15.032 -3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.279 -14.214 -4.404 1.00 0.00 H new ATOM 924 N VAL A 57 -7.784 -10.916 -0.603 1.00 0.00 N ATOM 925 CA VAL A 57 -9.042 -10.146 -0.399 1.00 0.00 C ATOM 926 C VAL A 57 -9.158 -9.025 -1.431 1.00 0.00 C ATOM 927 O VAL A 57 -8.194 -8.354 -1.741 1.00 0.00 O ATOM 928 CB VAL A 57 -9.022 -9.536 1.000 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.358 -8.847 1.284 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.779 -10.638 2.034 1.00 0.00 C ATOM 0 H VAL A 57 -6.971 -10.357 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.894 -10.817 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.221 -8.799 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.338 -8.413 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.524 -8.059 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.165 -9.577 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.765 -10.203 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.577 -11.378 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.822 -11.120 1.834 1.00 0.00 H new ATOM 940 N LEU A 58 -10.338 -8.795 -1.944 1.00 0.00 N ATOM 941 CA LEU A 58 -10.510 -7.694 -2.931 1.00 0.00 C ATOM 942 C LEU A 58 -9.997 -6.405 -2.304 1.00 0.00 C ATOM 943 O LEU A 58 -10.125 -6.192 -1.116 1.00 0.00 O ATOM 944 CB LEU A 58 -11.987 -7.532 -3.279 1.00 0.00 C ATOM 945 CG LEU A 58 -12.155 -6.381 -4.277 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.460 -6.733 -5.592 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.646 -6.157 -4.537 1.00 0.00 C ATOM 0 H LEU A 58 -11.184 -9.320 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.956 -7.923 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.374 -8.457 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.564 -7.332 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.710 -5.475 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.582 -5.912 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.399 -6.900 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.904 -7.638 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.773 -5.339 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.084 -7.066 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.145 -5.906 -3.601 1.00 0.00 H new ATOM 959 N TRP A 59 -9.406 -5.551 -3.088 1.00 0.00 N ATOM 960 CA TRP A 59 -8.875 -4.287 -2.526 1.00 0.00 C ATOM 961 C TRP A 59 -9.815 -3.120 -2.825 1.00 0.00 C ATOM 962 O TRP A 59 -10.460 -3.068 -3.852 1.00 0.00 O ATOM 963 CB TRP A 59 -7.497 -4.012 -3.123 1.00 0.00 C ATOM 964 CG TRP A 59 -6.471 -4.762 -2.342 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.628 -5.691 -2.850 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.175 -4.674 -0.918 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.818 -6.160 -1.830 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.121 -5.566 -0.621 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.713 -3.907 0.134 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.616 -5.694 0.674 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.209 -4.038 1.436 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.163 -4.929 1.704 1.00 0.00 C ATOM 0 H TRP A 59 -9.269 -5.675 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.795 -4.389 -1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.472 -4.318 -4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.282 -2.944 -3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.593 -6.013 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.086 -6.859 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.518 -3.214 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.807 -6.381 0.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.630 -3.448 2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.779 -5.024 2.709 1.00 0.00 H new ATOM 983 N ASP A 60 -9.886 -2.183 -1.920 1.00 0.00 N ATOM 984 CA ASP A 60 -10.765 -1.000 -2.117 1.00 0.00 C ATOM 985 C ASP A 60 -10.108 0.201 -1.435 1.00 0.00 C ATOM 986 O ASP A 60 -9.301 0.046 -0.540 1.00 0.00 O ATOM 987 CB ASP A 60 -12.135 -1.264 -1.489 1.00 0.00 C ATOM 988 CG ASP A 60 -13.100 -0.143 -1.879 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.709 0.701 -2.667 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.215 -0.149 -1.383 1.00 0.00 O ATOM 0 H ASP A 60 -9.366 -2.188 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.900 -0.803 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.522 -2.225 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.045 -1.320 -0.404 1.00 0.00 H new ATOM 995 N GLU A 61 -10.431 1.394 -1.845 1.00 0.00 N ATOM 996 CA GLU A 61 -9.800 2.580 -1.205 1.00 0.00 C ATOM 997 C GLU A 61 -10.027 2.520 0.305 1.00 0.00 C ATOM 998 O GLU A 61 -9.161 2.855 1.088 1.00 0.00 O ATOM 999 CB GLU A 61 -10.434 3.855 -1.766 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.148 3.949 -3.265 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.737 5.248 -3.818 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.435 5.921 -3.078 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.482 5.545 -4.973 1.00 0.00 O ATOM 0 H GLU A 61 -11.098 1.599 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.730 2.583 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.510 3.847 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.033 4.729 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.073 3.920 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.580 3.092 -3.783 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.185 2.090 0.721 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.467 2.001 2.180 1.00 0.00 C ATOM 1012 C ASN A 62 -10.709 0.817 2.791 1.00 0.00 C ATOM 1013 O ASN A 62 -10.133 0.920 3.856 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.969 1.809 2.397 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.313 2.069 3.864 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -14.464 1.672 4.333 1.00 0.00 O flip ATOM 1017 ND2 ASN A 62 -12.525 2.640 4.592 1.00 0.00 N flip ATOM 0 H ASN A 62 -11.949 1.796 0.113 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.140 2.922 2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.529 2.489 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.260 0.796 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.625 2.950 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.764 2.809 5.569 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.716 -0.312 2.132 1.00 0.00 N ATOM 1025 CA ASN A 63 -10.011 -1.503 2.683 1.00 0.00 C ATOM 1026 C ASN A 63 -8.505 -1.244 2.763 1.00 0.00 C ATOM 1027 O ASN A 63 -7.851 -1.631 3.712 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.272 -2.704 1.774 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.758 -3.063 1.812 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.483 -2.607 2.674 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.245 -3.869 0.908 1.00 0.00 N ATOM 0 H ASN A 63 -11.180 -0.459 1.236 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.385 -1.704 3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.970 -2.472 0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.673 -3.555 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.234 -4.116 0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.636 -4.252 0.185 1.00 0.00 H new ATOM 1038 N MET A 64 -7.947 -0.607 1.774 1.00 0.00 N ATOM 1039 CA MET A 64 -6.484 -0.344 1.797 1.00 0.00 C ATOM 1040 C MET A 64 -6.122 0.549 2.984 1.00 0.00 C ATOM 1041 O MET A 64 -5.076 0.399 3.581 1.00 0.00 O ATOM 1042 CB MET A 64 -6.062 0.335 0.493 1.00 0.00 C ATOM 1043 CG MET A 64 -6.167 -0.665 -0.660 1.00 0.00 C ATOM 1044 SD MET A 64 -5.251 -0.035 -2.088 1.00 0.00 S ATOM 1045 CE MET A 64 -3.583 -0.346 -1.449 1.00 0.00 C ATOM 0 H MET A 64 -8.440 -0.258 0.952 1.00 0.00 H new ATOM 0 HA MET A 64 -5.958 -1.293 1.899 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.697 1.199 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.040 0.704 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.767 -1.632 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.212 -0.822 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.899 -0.510 -2.282 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.249 0.514 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.597 -1.230 -0.811 1.00 0.00 H new ATOM 1055 N SER A 65 -6.967 1.479 3.336 1.00 0.00 N ATOM 1056 CA SER A 65 -6.641 2.370 4.484 1.00 0.00 C ATOM 1057 C SER A 65 -6.308 1.518 5.709 1.00 0.00 C ATOM 1058 O SER A 65 -5.345 1.767 6.411 1.00 0.00 O ATOM 1059 CB SER A 65 -7.844 3.262 4.795 1.00 0.00 C ATOM 1060 OG SER A 65 -7.467 4.239 5.756 1.00 0.00 O ATOM 0 H SER A 65 -7.862 1.659 2.882 1.00 0.00 H new ATOM 0 HA SER A 65 -5.784 2.993 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.197 3.747 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.669 2.660 5.176 1.00 0.00 H new ATOM 0 HG SER A 65 -8.235 4.814 5.957 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.085 0.502 5.967 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.800 -0.365 7.140 1.00 0.00 C ATOM 1068 C GLU A 66 -5.432 -1.017 6.955 1.00 0.00 C ATOM 1069 O GLU A 66 -4.687 -1.204 7.896 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.863 -1.461 7.234 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.235 -0.831 7.470 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.240 -0.097 8.812 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -8.365 -0.370 9.617 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.120 0.724 9.012 1.00 0.00 O ATOM 0 H GLU A 66 -7.902 0.237 5.417 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.810 0.235 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.875 -2.048 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.622 -2.146 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.471 -0.137 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.006 -1.601 7.463 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.103 -1.377 5.745 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.790 -2.031 5.497 1.00 0.00 C ATOM 1083 C TYR A 67 -2.646 -1.058 5.783 1.00 0.00 C ATOM 1084 O TYR A 67 -1.654 -1.419 6.374 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.704 -2.483 4.043 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.463 -3.324 3.876 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.503 -4.689 4.181 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.271 -2.739 3.433 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -1.354 -5.471 4.042 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.119 -3.524 3.296 1.00 0.00 C ATOM 1091 CZ TYR A 67 -0.160 -4.890 3.600 1.00 0.00 C ATOM 1092 OH TYR A 67 0.975 -5.663 3.464 1.00 0.00 O ATOM 0 H TYR A 67 -5.687 -1.246 4.919 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.704 -2.892 6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.590 -3.057 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.668 -1.619 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.423 -5.138 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.240 -1.685 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.387 -6.525 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.802 -3.075 2.955 1.00 0.00 H new ATOM 0 HH TYR A 67 1.539 -5.558 4.258 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.760 0.169 5.360 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.655 1.131 5.608 1.00 0.00 C ATOM 1104 C LEU A 68 -1.308 1.138 7.096 1.00 0.00 C ATOM 1105 O LEU A 68 -0.157 1.250 7.469 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.090 2.528 5.169 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.475 2.503 3.688 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.831 3.914 3.228 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.296 1.988 2.859 1.00 0.00 C ATOM 0 H LEU A 68 -3.564 0.544 4.857 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.775 0.833 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.936 2.862 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.281 3.240 5.333 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.333 1.845 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.105 3.895 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.671 4.287 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.972 4.570 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.572 1.971 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.438 2.646 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.037 0.980 3.182 1.00 0.00 H new ATOM 1121 N THR A 69 -2.283 1.019 7.951 1.00 0.00 N ATOM 1122 CA THR A 69 -1.982 1.017 9.409 1.00 0.00 C ATOM 1123 C THR A 69 -1.087 -0.185 9.746 1.00 0.00 C ATOM 1124 O THR A 69 0.107 -0.048 9.924 1.00 0.00 O ATOM 1125 CB THR A 69 -3.292 0.932 10.200 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.373 1.311 9.358 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.225 1.877 11.398 1.00 0.00 C ATOM 0 H THR A 69 -3.269 0.924 7.707 1.00 0.00 H new ATOM 0 HA THR A 69 -1.461 1.936 9.677 1.00 0.00 H new ATOM 0 HB THR A 69 -3.442 -0.089 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.699 0.526 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.156 1.817 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.393 1.591 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.078 2.899 11.048 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.651 -1.359 9.831 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.835 -2.567 10.154 1.00 0.00 C ATOM 1137 C ASN A 70 0.125 -2.883 9.005 1.00 0.00 C ATOM 1138 O ASN A 70 1.239 -3.318 9.217 1.00 0.00 O ATOM 1139 CB ASN A 70 -1.757 -3.763 10.376 1.00 0.00 C ATOM 1140 CG ASN A 70 -2.471 -3.618 11.720 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -3.676 -3.463 11.769 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -1.772 -3.667 12.820 1.00 0.00 N ATOM 0 H ASN A 70 -2.646 -1.535 9.690 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.259 -2.368 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.488 -3.826 9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.180 -4.688 10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.236 -3.575 13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.761 -3.797 12.777 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.306 -2.681 7.790 1.00 0.00 N ATOM 1150 CA HIS A 71 0.570 -2.978 6.621 1.00 0.00 C ATOM 1151 C HIS A 71 1.034 -4.441 6.688 1.00 0.00 C ATOM 1152 O HIS A 71 2.109 -4.784 6.247 1.00 0.00 O ATOM 1153 CB HIS A 71 1.784 -2.031 6.636 1.00 0.00 C ATOM 1154 CG HIS A 71 2.791 -2.461 5.599 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.834 -3.330 5.902 1.00 0.00 N ATOM 1156 CD2 HIS A 71 2.927 -2.168 4.261 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.537 -3.535 4.775 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.029 -2.851 3.756 1.00 0.00 N ATOM 0 H HIS A 71 -1.231 -2.321 7.556 1.00 0.00 H new ATOM 0 HA HIS A 71 0.014 -2.826 5.696 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.460 -1.009 6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.244 -2.033 7.624 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.030 -3.738 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.282 -1.513 3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.405 -4.175 4.707 1.00 0.00 H new ATOM 1166 N ALA A 72 0.237 -5.324 7.228 1.00 0.00 N ATOM 1167 CA ALA A 72 0.685 -6.741 7.289 1.00 0.00 C ATOM 1168 C ALA A 72 -0.242 -7.573 8.183 1.00 0.00 C ATOM 1169 O ALA A 72 -0.523 -8.719 7.892 1.00 0.00 O ATOM 1170 CB ALA A 72 2.103 -6.771 7.850 1.00 0.00 C ATOM 0 H ALA A 72 -0.684 -5.130 7.621 1.00 0.00 H new ATOM 0 HA ALA A 72 0.659 -7.171 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.451 -7.802 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.764 -6.198 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.109 -6.334 8.849 1.00 0.00 H new ATOM 1176 N LYS A 73 -0.718 -7.022 9.265 1.00 0.00 N ATOM 1177 CA LYS A 73 -1.619 -7.812 10.153 1.00 0.00 C ATOM 1178 C LYS A 73 -2.795 -8.334 9.330 1.00 0.00 C ATOM 1179 O LYS A 73 -3.312 -9.406 9.573 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.144 -6.925 11.286 1.00 0.00 C ATOM 1181 CG LYS A 73 -2.923 -7.783 12.285 1.00 0.00 C ATOM 1182 CD LYS A 73 -3.499 -6.889 13.385 1.00 0.00 C ATOM 1183 CE LYS A 73 -4.132 -7.759 14.472 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.559 -7.369 14.652 1.00 0.00 N ATOM 0 H LYS A 73 -0.525 -6.068 9.572 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.065 -8.647 10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.314 -6.427 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.787 -6.143 10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.727 -8.314 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.268 -8.538 12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.712 -6.269 13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.244 -6.213 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.063 -8.811 14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.590 -7.639 15.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.990 -7.960 15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.613 -6.369 14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.072 -7.505 13.757 1.00 0.00 H new ATOM 1198 N TYR A 74 -3.217 -7.582 8.355 1.00 0.00 N ATOM 1199 CA TYR A 74 -4.356 -8.022 7.504 1.00 0.00 C ATOM 1200 C TYR A 74 -4.025 -9.384 6.882 1.00 0.00 C ATOM 1201 O TYR A 74 -4.875 -10.245 6.764 1.00 0.00 O ATOM 1202 CB TYR A 74 -4.575 -6.994 6.395 1.00 0.00 C ATOM 1203 CG TYR A 74 -5.863 -7.288 5.665 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.063 -6.712 6.105 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -5.858 -8.127 4.547 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.256 -6.979 5.425 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.052 -8.394 3.867 1.00 0.00 C ATOM 1208 CZ TYR A 74 -8.251 -7.821 4.306 1.00 0.00 C ATOM 1209 OH TYR A 74 -9.428 -8.083 3.635 1.00 0.00 O ATOM 0 H TYR A 74 -2.820 -6.675 8.109 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.260 -8.109 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.609 -5.991 6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.738 -7.016 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.066 -6.063 6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.933 -8.569 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.181 -6.536 5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.048 -9.042 3.003 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.059 -7.348 3.783 1.00 0.00 H new ATOM 1219 N ILE A 75 -2.793 -9.581 6.482 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.399 -10.883 5.864 1.00 0.00 C ATOM 1221 C ILE A 75 -1.255 -11.514 6.667 1.00 0.00 C ATOM 1222 O ILE A 75 -0.095 -11.322 6.359 1.00 0.00 O ATOM 1223 CB ILE A 75 -1.922 -10.649 4.428 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -1.698 -9.154 4.194 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.975 -11.167 3.448 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.057 -8.946 2.820 1.00 0.00 C ATOM 0 H ILE A 75 -2.042 -8.894 6.557 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.262 -11.549 5.865 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.985 -11.182 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.646 -8.620 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.055 -8.745 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.634 -11.000 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.129 -12.234 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.914 -10.637 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.896 -7.881 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.101 -9.468 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.717 -9.341 2.047 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.575 -12.268 7.684 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.548 -12.942 8.530 1.00 0.00 C ATOM 1240 C PRO A 76 0.429 -13.768 7.687 1.00 0.00 C ATOM 1241 O PRO A 76 0.057 -14.361 6.695 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.363 -13.854 9.451 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.739 -13.274 9.477 1.00 0.00 C ATOM 1244 CD PRO A 76 -2.941 -12.559 8.141 1.00 0.00 C ATOM 0 HA PRO A 76 0.066 -12.223 9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.376 -14.878 9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.932 -13.886 10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.486 -14.056 9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.850 -12.578 10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.475 -13.188 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.525 -11.646 8.261 1.00 0.00 H new ATOM 1252 N GLY A 77 1.675 -13.807 8.070 1.00 0.00 N ATOM 1253 CA GLY A 77 2.672 -14.591 7.286 1.00 0.00 C ATOM 1254 C GLY A 77 3.454 -13.649 6.366 1.00 0.00 C ATOM 1255 O GLY A 77 4.409 -14.041 5.724 1.00 0.00 O ATOM 0 H GLY A 77 2.047 -13.330 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.355 -15.108 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.167 -15.356 6.696 1.00 0.00 H new ATOM 1259 N THR A 78 3.059 -12.406 6.305 1.00 0.00 N ATOM 1260 CA THR A 78 3.777 -11.430 5.436 1.00 0.00 C ATOM 1261 C THR A 78 5.268 -11.436 5.790 1.00 0.00 C ATOM 1262 O THR A 78 5.641 -11.534 6.942 1.00 0.00 O ATOM 1263 CB THR A 78 3.201 -10.035 5.682 1.00 0.00 C ATOM 1264 OG1 THR A 78 4.023 -9.065 5.050 1.00 0.00 O ATOM 1265 CG2 THR A 78 3.160 -9.771 7.187 1.00 0.00 C ATOM 0 H THR A 78 2.267 -12.023 6.822 1.00 0.00 H new ATOM 0 HA THR A 78 3.654 -11.703 4.388 1.00 0.00 H new ATOM 0 HB THR A 78 2.193 -9.974 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.448 -8.503 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.750 -8.778 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.531 -10.518 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.170 -9.828 7.594 1.00 0.00 H new ATOM 1273 N LYS A 79 6.126 -11.337 4.809 1.00 0.00 N ATOM 1274 CA LYS A 79 7.591 -11.347 5.094 1.00 0.00 C ATOM 1275 C LYS A 79 7.961 -10.166 5.996 1.00 0.00 C ATOM 1276 O LYS A 79 8.685 -10.314 6.961 1.00 0.00 O ATOM 1277 CB LYS A 79 8.363 -11.227 3.779 1.00 0.00 C ATOM 1278 CG LYS A 79 8.074 -12.441 2.896 1.00 0.00 C ATOM 1279 CD LYS A 79 8.951 -12.377 1.643 1.00 0.00 C ATOM 1280 CE LYS A 79 8.565 -13.506 0.686 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.795 -14.217 0.234 1.00 0.00 N ATOM 0 H LYS A 79 5.876 -11.250 3.824 1.00 0.00 H new ATOM 0 HA LYS A 79 7.847 -12.280 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.076 -10.312 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.432 -11.158 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.273 -13.361 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.021 -12.459 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.829 -11.412 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.002 -12.464 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.891 -14.204 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.029 -13.102 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.533 -14.985 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.423 -13.548 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.288 -14.615 1.058 1.00 0.00 H new ATOM 1295 N MET A 80 7.478 -8.993 5.688 1.00 0.00 N ATOM 1296 CA MET A 80 7.811 -7.803 6.524 1.00 0.00 C ATOM 1297 C MET A 80 6.588 -6.892 6.623 1.00 0.00 C ATOM 1298 O MET A 80 5.636 -7.042 5.883 1.00 0.00 O ATOM 1299 CB MET A 80 8.968 -7.033 5.881 1.00 0.00 C ATOM 1300 CG MET A 80 10.180 -7.956 5.728 1.00 0.00 C ATOM 1301 SD MET A 80 10.660 -8.608 7.348 1.00 0.00 S ATOM 1302 CE MET A 80 11.073 -7.023 8.118 1.00 0.00 C ATOM 0 H MET A 80 6.867 -8.807 4.893 1.00 0.00 H new ATOM 0 HA MET A 80 8.103 -8.131 7.522 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.665 -6.650 4.907 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.230 -6.171 6.495 1.00 0.00 H new ATOM 0 HG2 MET A 80 9.941 -8.777 5.051 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.012 -7.409 5.284 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.788 -7.186 8.925 1.00 0.00 H new ATOM 0 HE2 MET A 80 11.512 -6.360 7.373 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.168 -6.568 8.521 1.00 0.00 H new ATOM 1312 N ALA A 81 6.608 -5.948 7.528 1.00 0.00 N ATOM 1313 CA ALA A 81 5.452 -5.028 7.672 1.00 0.00 C ATOM 1314 C ALA A 81 5.917 -3.586 7.453 1.00 0.00 C ATOM 1315 O ALA A 81 6.480 -3.248 6.432 1.00 0.00 O ATOM 1316 CB ALA A 81 4.863 -5.171 9.077 1.00 0.00 C ATOM 0 H ALA A 81 7.380 -5.778 8.173 1.00 0.00 H new ATOM 0 HA ALA A 81 4.691 -5.277 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.014 -4.496 9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.532 -6.198 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.623 -4.920 9.817 1.00 0.00 H new ATOM 1322 N PHE A 82 5.685 -2.734 8.405 1.00 0.00 N ATOM 1323 CA PHE A 82 6.103 -1.310 8.257 1.00 0.00 C ATOM 1324 C PHE A 82 6.054 -0.614 9.620 1.00 0.00 C ATOM 1325 O PHE A 82 7.070 -0.339 10.226 1.00 0.00 O ATOM 1326 CB PHE A 82 5.146 -0.599 7.298 1.00 0.00 C ATOM 1327 CG PHE A 82 5.484 0.871 7.250 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.466 1.340 6.370 1.00 0.00 C ATOM 1329 CD2 PHE A 82 4.812 1.765 8.090 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.776 2.706 6.332 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.122 3.127 8.053 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.103 3.599 7.175 1.00 0.00 C ATOM 0 H PHE A 82 5.222 -2.959 9.285 1.00 0.00 H new ATOM 0 HA PHE A 82 7.119 -1.271 7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.223 -1.034 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.116 -0.736 7.627 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.984 0.650 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.053 1.402 8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.533 3.070 5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.603 3.816 8.703 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.341 4.652 7.147 1.00 0.00 H new ATOM 1342 N GLY A 83 4.875 -0.323 10.100 1.00 0.00 N ATOM 1343 CA GLY A 83 4.751 0.363 11.417 1.00 0.00 C ATOM 1344 C GLY A 83 5.442 1.726 11.348 1.00 0.00 C ATOM 1345 O GLY A 83 6.654 1.816 11.330 1.00 0.00 O ATOM 0 H GLY A 83 3.991 -0.531 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.700 0.489 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.202 -0.246 12.200 1.00 0.00 H new ATOM 1349 N GLY A 84 4.685 2.791 11.309 1.00 0.00 N ATOM 1350 CA GLY A 84 5.312 4.142 11.242 1.00 0.00 C ATOM 1351 C GLY A 84 4.243 5.214 11.004 1.00 0.00 C ATOM 1352 O GLY A 84 4.364 6.327 11.474 1.00 0.00 O ATOM 0 H GLY A 84 3.665 2.783 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.844 4.350 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.049 4.169 10.439 1.00 0.00 H new ATOM 1356 N LEU A 85 3.200 4.901 10.279 1.00 0.00 N ATOM 1357 CA LEU A 85 2.145 5.920 10.026 1.00 0.00 C ATOM 1358 C LEU A 85 1.361 6.170 11.316 1.00 0.00 C ATOM 1359 O LEU A 85 0.147 6.094 11.339 1.00 0.00 O ATOM 1360 CB LEU A 85 1.193 5.410 8.950 1.00 0.00 C ATOM 1361 CG LEU A 85 1.991 4.863 7.765 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.046 4.643 6.588 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.078 5.861 7.360 1.00 0.00 C ATOM 0 H LEU A 85 3.036 3.988 9.854 1.00 0.00 H new ATOM 0 HA LEU A 85 2.609 6.848 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.552 4.629 9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.540 6.217 8.618 1.00 0.00 H new ATOM 0 HG LEU A 85 2.460 3.921 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.607 4.253 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.273 3.929 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.582 5.590 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.641 5.463 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.616 6.806 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.752 6.026 8.200 1.00 0.00 H new ATOM 1375 N LYS A 86 2.038 6.470 12.389 1.00 0.00 N ATOM 1376 CA LYS A 86 1.330 6.724 13.670 1.00 0.00 C ATOM 1377 C LYS A 86 0.317 7.853 13.476 1.00 0.00 C ATOM 1378 O LYS A 86 -0.735 7.869 14.084 1.00 0.00 O ATOM 1379 CB LYS A 86 2.348 7.127 14.738 1.00 0.00 C ATOM 1380 CG LYS A 86 3.288 5.953 15.016 1.00 0.00 C ATOM 1381 CD LYS A 86 4.230 6.313 16.167 1.00 0.00 C ATOM 1382 CE LYS A 86 5.242 5.185 16.371 1.00 0.00 C ATOM 1383 NZ LYS A 86 4.540 3.977 16.889 1.00 0.00 N ATOM 0 H LYS A 86 3.054 6.550 12.432 1.00 0.00 H new ATOM 0 HA LYS A 86 0.808 5.821 13.986 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.919 7.993 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.834 7.420 15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.711 5.064 15.269 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.864 5.715 14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.749 7.246 15.948 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.659 6.473 17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.740 4.954 15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.016 5.498 17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.240 3.290 17.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.909 4.250 17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.980 3.547 16.125 1.00 0.00 H new ATOM 1397 N LYS A 87 0.624 8.797 12.630 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.323 9.923 12.397 1.00 0.00 C ATOM 1399 C LYS A 87 -1.301 9.541 11.284 1.00 0.00 C ATOM 1400 O LYS A 87 -0.915 9.042 10.246 1.00 0.00 O ATOM 1401 CB LYS A 87 0.458 11.171 11.984 1.00 0.00 C ATOM 1402 CG LYS A 87 1.362 11.615 13.136 1.00 0.00 C ATOM 1403 CD LYS A 87 2.056 12.927 12.766 1.00 0.00 C ATOM 1404 CE LYS A 87 3.048 13.308 13.866 1.00 0.00 C ATOM 1405 NZ LYS A 87 2.333 14.042 14.948 1.00 0.00 N ATOM 0 H LYS A 87 1.489 8.837 12.091 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.876 10.129 13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.057 10.961 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.231 11.973 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.773 11.747 14.044 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.105 10.845 13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.576 12.820 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.317 13.718 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.521 12.413 14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.843 13.930 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.007 14.301 15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.902 14.904 14.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.590 13.434 15.347 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.568 9.772 11.494 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.576 9.426 10.453 1.00 0.00 C ATOM 1421 C GLU A 88 -3.345 10.280 9.205 1.00 0.00 C ATOM 1422 O GLU A 88 -3.655 9.880 8.101 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.980 9.688 10.996 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.259 8.747 12.168 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.689 8.963 12.668 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.314 9.911 12.222 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.134 8.178 13.489 1.00 0.00 O ATOM 0 H GLU A 88 -2.949 10.187 12.344 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.476 8.372 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.068 10.725 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.719 9.536 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.124 7.711 11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.549 8.932 12.974 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.813 11.460 9.374 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.575 12.345 8.202 1.00 0.00 C ATOM 1436 C LYS A 89 -1.709 11.629 7.167 1.00 0.00 C ATOM 1437 O LYS A 89 -1.954 11.708 5.979 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.857 13.608 8.674 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.781 14.412 9.591 1.00 0.00 C ATOM 1440 CD LYS A 89 -2.102 15.729 9.970 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.971 16.478 10.983 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.797 17.947 10.796 1.00 0.00 N ATOM 0 H LYS A 89 -2.533 11.848 10.275 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.530 12.603 7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.943 13.342 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.563 14.213 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.728 14.610 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.011 13.837 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.117 15.534 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.951 16.342 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.018 16.205 10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.692 16.194 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.387 18.457 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.799 18.200 10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.084 18.211 9.832 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.699 10.932 7.600 1.00 0.00 N ATOM 1457 CA ASP A 90 0.178 10.218 6.634 1.00 0.00 C ATOM 1458 C ASP A 90 -0.653 9.206 5.845 1.00 0.00 C ATOM 1459 O ASP A 90 -0.525 9.081 4.643 1.00 0.00 O ATOM 1460 CB ASP A 90 1.274 9.479 7.397 1.00 0.00 C ATOM 1461 CG ASP A 90 2.186 10.492 8.091 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.097 11.662 7.762 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.958 10.078 8.941 1.00 0.00 O ATOM 0 H ASP A 90 -0.442 10.825 8.581 1.00 0.00 H new ATOM 0 HA ASP A 90 0.627 10.938 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.830 8.809 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.855 8.861 6.712 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.506 8.484 6.515 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.348 7.478 5.811 1.00 0.00 C ATOM 1470 C ARG A 91 -3.230 8.176 4.774 1.00 0.00 C ATOM 1471 O ARG A 91 -3.398 7.705 3.667 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.241 6.769 6.832 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.371 5.974 7.808 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.256 5.362 8.897 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.209 4.396 8.283 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.263 4.010 8.950 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.472 4.462 10.157 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.107 3.174 8.412 1.00 0.00 N ATOM 0 H ARG A 91 -1.657 8.547 7.522 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.705 6.754 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.841 7.499 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.936 6.102 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.834 5.188 7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.621 6.625 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.639 4.857 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.804 6.147 9.418 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.039 4.037 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.812 5.116 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.295 4.161 10.679 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.944 2.821 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.930 2.873 8.934 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.800 9.295 5.127 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.677 10.022 4.169 1.00 0.00 C ATOM 1494 C ASN A 92 -3.858 10.534 2.983 1.00 0.00 C ATOM 1495 O ASN A 92 -4.270 10.441 1.845 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.322 11.208 4.886 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.280 10.698 5.963 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.632 9.535 5.978 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.724 11.527 6.867 1.00 0.00 N ATOM 0 H ASN A 92 -3.695 9.738 6.040 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.445 9.342 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.553 11.835 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.861 11.829 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.367 11.199 7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.428 12.503 6.853 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.706 11.083 3.244 1.00 0.00 N ATOM 1507 CA ASP A 93 -1.865 11.613 2.133 1.00 0.00 C ATOM 1508 C ASP A 93 -1.448 10.471 1.204 1.00 0.00 C ATOM 1509 O ASP A 93 -1.454 10.605 -0.003 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.619 12.281 2.717 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.032 13.514 3.524 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.170 13.930 3.390 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.202 14.019 4.262 1.00 0.00 O ATOM 0 H ASP A 93 -2.309 11.188 4.178 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.439 12.343 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.082 11.579 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.062 12.569 1.916 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.085 9.348 1.758 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.664 8.197 0.908 1.00 0.00 C ATOM 1520 C LEU A 94 -1.770 7.837 -0.073 1.00 0.00 C ATOM 1521 O LEU A 94 -1.594 7.875 -1.273 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.395 6.982 1.791 1.00 0.00 C ATOM 1523 CG LEU A 94 1.105 6.747 1.903 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.380 5.863 3.118 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.606 6.050 0.637 1.00 0.00 C ATOM 0 H LEU A 94 -1.061 9.176 2.763 1.00 0.00 H new ATOM 0 HA LEU A 94 0.237 8.479 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.823 7.139 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.880 6.101 1.370 1.00 0.00 H new ATOM 0 HG LEU A 94 1.622 7.700 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.452 5.689 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.017 6.359 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.867 4.909 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.680 5.881 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.096 5.094 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.400 6.678 -0.230 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.903 7.467 0.439 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.024 7.071 -0.436 1.00 0.00 C ATOM 1539 C ILE A 95 -4.326 8.189 -1.430 1.00 0.00 C ATOM 1540 O ILE A 95 -4.678 7.941 -2.566 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.231 6.778 0.439 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.828 5.715 1.463 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.369 6.253 -0.427 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -6.062 5.257 2.242 1.00 0.00 C ATOM 0 H ILE A 95 -3.100 7.422 1.439 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.767 6.179 -1.007 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.563 7.683 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.369 4.865 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.083 6.120 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.236 6.042 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.634 7.002 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.053 5.338 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.772 4.500 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.502 6.109 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.792 4.835 1.551 1.00 0.00 H new ATOM 1556 N THR A 96 -4.175 9.415 -1.024 1.00 0.00 N ATOM 1557 CA THR A 96 -4.436 10.532 -1.960 1.00 0.00 C ATOM 1558 C THR A 96 -3.543 10.359 -3.190 1.00 0.00 C ATOM 1559 O THR A 96 -3.955 10.591 -4.308 1.00 0.00 O ATOM 1560 CB THR A 96 -4.111 11.854 -1.265 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.811 11.923 -0.031 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.535 13.013 -2.156 1.00 0.00 C ATOM 0 H THR A 96 -3.883 9.689 -0.086 1.00 0.00 H new ATOM 0 HA THR A 96 -5.483 10.535 -2.264 1.00 0.00 H new ATOM 0 HB THR A 96 -3.039 11.914 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.267 11.520 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.304 13.956 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.998 12.959 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.607 12.955 -2.343 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.320 9.945 -2.986 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.395 9.745 -4.134 1.00 0.00 C ATOM 1572 C TYR A 97 -1.657 8.388 -4.788 1.00 0.00 C ATOM 1573 O TYR A 97 -1.794 8.283 -5.991 1.00 0.00 O ATOM 1574 CB TYR A 97 0.050 9.798 -3.636 1.00 0.00 C ATOM 1575 CG TYR A 97 0.979 9.418 -4.760 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.421 10.386 -5.670 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.398 8.091 -4.892 1.00 0.00 C ATOM 1578 CE1 TYR A 97 2.283 10.023 -6.712 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.258 7.726 -5.932 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.702 8.693 -6.842 1.00 0.00 C ATOM 1581 OH TYR A 97 3.552 8.334 -7.870 1.00 0.00 O ATOM 0 H TYR A 97 -1.923 9.737 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.561 10.533 -4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.286 10.800 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.182 9.118 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.097 11.411 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.057 7.346 -4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.625 10.768 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.579 6.700 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 97 3.745 7.375 -7.815 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.722 7.346 -4.006 1.00 0.00 N ATOM 1592 CA LEU A 98 -1.967 5.995 -4.586 1.00 0.00 C ATOM 1593 C LEU A 98 -3.215 6.040 -5.465 1.00 0.00 C ATOM 1594 O LEU A 98 -3.195 5.642 -6.613 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.197 4.993 -3.455 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.984 4.968 -2.518 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.297 4.089 -1.307 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.220 4.389 -3.258 1.00 0.00 C ATOM 0 H LEU A 98 -1.616 7.371 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.104 5.694 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.093 5.263 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.367 3.999 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.759 5.983 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.436 4.070 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.159 4.494 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.520 3.076 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.082 4.371 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.007 3.374 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.445 5.008 -4.127 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.297 6.534 -4.935 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.548 6.619 -5.737 1.00 0.00 C ATOM 1612 C LYS A 99 -5.307 7.517 -6.952 1.00 0.00 C ATOM 1613 O LYS A 99 -5.783 7.253 -8.037 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.667 7.195 -4.870 1.00 0.00 C ATOM 1615 CG LYS A 99 -7.957 7.300 -5.688 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.049 7.949 -4.836 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.353 8.009 -5.634 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.498 7.670 -4.742 1.00 0.00 N ATOM 0 H LYS A 99 -4.370 6.883 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.839 5.626 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.829 6.559 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.381 8.179 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.783 7.891 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.275 6.310 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.197 7.378 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.745 8.953 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.489 9.005 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.312 7.312 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.894 6.750 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.168 7.621 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.232 8.402 -4.825 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.563 8.574 -6.777 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.281 9.487 -7.921 1.00 0.00 C ATOM 1634 C LYS A 100 -3.583 8.700 -9.023 1.00 0.00 C ATOM 1635 O LYS A 100 -3.889 8.827 -10.192 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.357 10.609 -7.452 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.254 11.679 -8.542 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.276 12.768 -8.096 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.284 13.909 -9.114 1.00 0.00 C ATOM 1640 NZ LYS A 100 -1.538 15.074 -8.561 1.00 0.00 N ATOM 0 H LYS A 100 -4.138 8.845 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.214 9.908 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.741 11.049 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.368 10.209 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.915 11.231 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.235 12.113 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.557 13.143 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.272 12.355 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.827 13.581 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.310 14.197 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.543 15.850 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.993 15.392 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.556 14.795 -8.362 1.00 0.00 H new ATOM 1654 N ALA A 101 -2.647 7.878 -8.648 1.00 0.00 N ATOM 1655 CA ALA A 101 -1.918 7.061 -9.656 1.00 0.00 C ATOM 1656 C ALA A 101 -2.891 6.049 -10.249 1.00 0.00 C ATOM 1657 O ALA A 101 -3.016 5.918 -11.450 1.00 0.00 O ATOM 1658 CB ALA A 101 -0.758 6.327 -8.982 1.00 0.00 C ATOM 0 H ALA A 101 -2.353 7.735 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.519 7.703 -10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.226 5.730 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.074 7.053 -8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.146 5.674 -8.200 1.00 0.00 H new ATOM 1664 N THR A 102 -3.600 5.349 -9.409 1.00 0.00 N ATOM 1665 CA THR A 102 -4.589 4.365 -9.917 1.00 0.00 C ATOM 1666 C THR A 102 -5.638 5.122 -10.726 1.00 0.00 C ATOM 1667 O THR A 102 -6.200 4.610 -11.674 1.00 0.00 O ATOM 1668 CB THR A 102 -5.262 3.654 -8.740 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.268 3.055 -7.920 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.210 2.576 -9.268 1.00 0.00 C ATOM 0 H THR A 102 -3.536 5.417 -8.393 1.00 0.00 H new ATOM 0 HA THR A 102 -4.094 3.620 -10.540 1.00 0.00 H new ATOM 0 HB THR A 102 -5.829 4.377 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.834 3.745 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.689 2.070 -8.430 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.972 3.037 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.646 1.851 -9.855 1.00 0.00 H new ATOM 1678 N GLU A 103 -5.904 6.345 -10.352 1.00 0.00 N ATOM 1679 CA GLU A 103 -6.916 7.148 -11.093 1.00 0.00 C ATOM 1680 C GLU A 103 -6.253 7.816 -12.299 1.00 0.00 C ATOM 1681 O GLU A 103 -5.859 8.964 -12.246 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.494 8.221 -10.167 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.622 8.964 -10.887 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.813 8.023 -11.079 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.928 7.082 -10.311 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.588 8.259 -11.990 1.00 0.00 O ATOM 0 H GLU A 103 -5.463 6.822 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.718 6.495 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.872 7.763 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.713 8.922 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.924 9.837 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.273 9.328 -11.853 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.668 -2.640 1.769 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.710 -5.257 0.878 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.125 -0.505 1.147 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.627 -0.045 2.701 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.237 -4.774 2.350 1.00 0.00 C HETATM 1699 NA HEC A 104 2.816 -2.837 1.151 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.146 -4.000 0.821 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.769 -3.729 0.438 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.626 -2.382 0.474 1.00 0.00 C HETATM 1703 C4A HEC A 104 1.880 -1.844 0.950 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.565 -1.607 0.006 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.345 -4.724 0.300 1.00 0.00 C HETATM 1706 CBA HEC A 104 -1.234 -4.458 -0.918 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.286 -5.714 -1.792 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.230 -6.205 -2.154 1.00 0.00 O HETATM 1709 O2A HEC A 104 -2.382 -6.162 -2.086 1.00 0.00 O HETATM 1710 NB HEC A 104 4.428 -0.702 1.894 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.308 0.031 1.581 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.507 1.434 1.815 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.784 1.585 2.220 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.342 0.248 2.307 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.449 2.477 1.842 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.490 2.892 2.391 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.890 3.741 3.512 1.00 0.00 C HETATM 1718 NC HEC A 104 6.516 -2.450 2.390 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.177 -1.294 2.737 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.521 -1.555 3.168 1.00 0.00 C HETATM 1721 C3C HEC A 104 8.726 -2.878 3.016 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.463 -3.438 2.579 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.417 -0.599 3.874 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.048 -3.565 3.093 1.00 0.00 C HETATM 1725 CBC HEC A 104 10.516 -3.804 4.529 1.00 0.00 C HETATM 1726 ND HEC A 104 4.918 -4.579 1.640 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.056 -5.309 1.910 1.00 0.00 C HETATM 1728 C2D HEC A 104 5.842 -6.719 1.719 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.584 -6.859 1.265 1.00 0.00 C HETATM 1730 C4D HEC A 104 3.999 -5.534 1.259 1.00 0.00 C HETATM 1731 CMD HEC A 104 6.732 -7.820 2.167 1.00 0.00 C HETATM 1732 CAD HEC A 104 3.985 -8.123 0.743 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.409 -8.992 1.862 1.00 0.00 C HETATM 1734 CGD HEC A 104 3.516 -10.468 1.470 1.00 0.00 C HETATM 1735 O1D HEC A 104 2.890 -10.849 0.495 1.00 0.00 O HETATM 1736 O2D HEC A 104 4.222 -11.192 2.152 1.00 0.00 O HETATM 0 HMD3 HEC A 104 7.712 -7.707 1.703 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 6.837 -7.784 3.251 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.301 -8.778 1.876 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.574 0.281 3.250 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 8.959 -0.299 4.816 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.376 -1.078 4.073 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.941 2.505 0.878 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.728 2.244 2.625 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.901 3.449 2.042 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.729 -1.797 -1.055 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.445 -1.916 0.570 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.390 -0.542 0.161 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 3.949 -8.812 2.791 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 2.367 -8.727 2.042 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 10.610 -2.848 5.045 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 9.789 -4.427 5.050 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 11.483 -4.307 4.518 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.844 3.952 3.289 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 4.957 3.198 4.455 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.440 4.678 3.593 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.239 -4.183 -0.596 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.842 -3.618 -1.492 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.197 -7.882 0.029 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.744 -8.687 0.201 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.077 -5.726 0.224 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.957 -4.704 1.202 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.063 -5.462 2.533 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.258 0.788 3.010 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.309 0.188 0.940 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.080 -6.101 0.597 1.00 0.00 H new