USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 877 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -1.17 K(o=-2.2,f=-23!) USER MOD Set 1.2: A 80 MET CE :methyl 161:sc= -1.02 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.58 X(o=-8.6,f=-8.9) USER MOD Set 2.2: A 74 TYR OH : rot -78:sc= -8.03! USER MOD Set 3.1: A 40 SER OG : rot 144:sc= -1.33! USER MOD Set 3.2: A 52 ASN : amide:sc= 0.778 K(o=-7.8,f=-1.8!) USER MOD Set 3.3: A 56 ASN : amide:sc= -7.22! K(o=-7.8!,f=-0.46) USER MOD Set 4.1: A 19 THR OG1 : rot 160:sc= -1.2 USER MOD Set 4.2: A 31 ASN : amide:sc= -5.55! C(o=-6.8!,f=-3.9!) USER MOD Set 5.1: A -2 LYS NZ :NH3+ 141:sc= -4.21! (180deg=-1.16!) USER MOD Set 5.2: A 89 LYS NZ :NH3+ 151:sc= -4.63! (180deg=-0.983) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.207 (180deg=-0.75) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= -0.182 (180deg=-1.2!) USER MOD Single : A 8 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A -5 THR N :NH3+ -161:sc= -0.303 (180deg=-1.22) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0767 (180deg=-0.569) USER MOD Single : A 12 THR OG1 : rot -71:sc= 0.552 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 0.0533 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc=-0.00398 X(o=-0.004,f=-0.37) USER MOD Single : A 39 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.2!) USER MOD Single : A 42 GLN : amide:sc= -4.03! K(o=-4!,f=-1) USER MOD Single : A 46 TYR OH : rot 94:sc= 0.534 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -6.24! USER MOD Single : A 49 THR OG1 : rot -100:sc= -0.721 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -161:sc= -3.02 (180deg=-3.84) USER MOD Single : A 65 SER OG : rot 74:sc= -0.349 USER MOD Single : A 69 THR OG1 : rot 81:sc= -0.985! USER MOD Single : A 70 ASN : amide:sc= -0.699 K(o=-0.7,f=-5.2!) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.689) USER MOD Single : A 78 THR OG1 : rot -30:sc= 0.378 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -1.77 (180deg=-2.54!) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.287 (180deg=-1.18) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= -1.52 (180deg=-1.8) USER MOD Single : A 92 ASN : amide:sc= 0.00564 X(o=0.0056,f=-0.49) USER MOD Single : A 96 THR OG1 : rot -138:sc= 0.957! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -85:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -13.782 -9.608 -3.431 1.00 0.00 N ATOM 2 CA THR A -5 -14.163 -8.297 -4.030 1.00 0.00 C ATOM 3 C THR A -5 -14.644 -7.353 -2.927 1.00 0.00 C ATOM 4 O THR A -5 -14.731 -6.155 -3.115 1.00 0.00 O ATOM 5 CB THR A -5 -15.288 -8.509 -5.047 1.00 0.00 C ATOM 6 OG1 THR A -5 -16.481 -8.867 -4.363 1.00 0.00 O ATOM 7 CG2 THR A -5 -14.898 -9.626 -6.016 1.00 0.00 C ATOM 0 H1 THR A -5 -13.169 -10.127 -4.092 1.00 0.00 H new ATOM 0 H2 THR A -5 -13.272 -9.447 -2.539 1.00 0.00 H new ATOM 0 H3 THR A -5 -14.639 -10.166 -3.243 1.00 0.00 H new ATOM 0 HA THR A -5 -13.298 -7.861 -4.530 1.00 0.00 H new ATOM 0 HB THR A -5 -15.452 -7.588 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.203 -9.001 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A -5 -15.699 -9.776 -6.740 1.00 0.00 H new ATOM 0 HG22 THR A -5 -13.983 -9.350 -6.540 1.00 0.00 H new ATOM 0 HG23 THR A -5 -14.733 -10.549 -5.460 1.00 0.00 H new ATOM 17 N GLU A -4 -14.958 -7.882 -1.775 1.00 0.00 N ATOM 18 CA GLU A -4 -15.433 -7.015 -0.660 1.00 0.00 C ATOM 19 C GLU A -4 -14.300 -6.815 0.348 1.00 0.00 C ATOM 20 O GLU A -4 -13.542 -7.719 0.634 1.00 0.00 O ATOM 21 CB GLU A -4 -16.621 -7.684 0.036 1.00 0.00 C ATOM 22 CG GLU A -4 -17.199 -6.735 1.087 1.00 0.00 C ATOM 23 CD GLU A -4 -18.320 -7.439 1.851 1.00 0.00 C ATOM 24 OE1 GLU A -4 -18.573 -8.597 1.559 1.00 0.00 O ATOM 25 OE2 GLU A -4 -18.907 -6.811 2.715 1.00 0.00 O ATOM 0 H GLU A -4 -14.906 -8.877 -1.558 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.742 -6.048 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -17.386 -7.942 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.303 -8.614 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.416 -6.420 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.582 -5.834 0.607 1.00 0.00 H new ATOM 32 N PHE A -3 -14.177 -5.633 0.890 1.00 0.00 N ATOM 33 CA PHE A -3 -13.092 -5.376 1.880 1.00 0.00 C ATOM 34 C PHE A -3 -13.655 -5.444 3.299 1.00 0.00 C ATOM 35 O PHE A -3 -14.650 -4.822 3.616 1.00 0.00 O ATOM 36 CB PHE A -3 -12.496 -3.988 1.638 1.00 0.00 C ATOM 37 CG PHE A -3 -11.426 -3.715 2.666 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.159 -4.295 2.533 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.703 -2.885 3.760 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.169 -4.045 3.492 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.712 -2.634 4.718 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.447 -3.214 4.583 1.00 0.00 C ATOM 0 H PHE A -3 -14.780 -4.835 0.690 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.317 -6.133 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.074 -3.931 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -13.276 -3.229 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.945 -4.936 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -12.681 -2.438 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -8.192 -4.493 3.389 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -10.925 -1.993 5.560 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.683 -3.020 5.322 1.00 0.00 H new ATOM 52 N LYS A -2 -13.019 -6.190 4.158 1.00 0.00 N ATOM 53 CA LYS A -2 -13.506 -6.295 5.562 1.00 0.00 C ATOM 54 C LYS A -2 -13.008 -5.087 6.355 1.00 0.00 C ATOM 55 O LYS A -2 -11.917 -4.599 6.133 1.00 0.00 O ATOM 56 CB LYS A -2 -12.969 -7.580 6.197 1.00 0.00 C ATOM 57 CG LYS A -2 -13.626 -7.787 7.562 1.00 0.00 C ATOM 58 CD LYS A -2 -13.157 -9.115 8.160 1.00 0.00 C ATOM 59 CE LYS A -2 -11.667 -9.025 8.501 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.333 -10.049 9.532 1.00 0.00 N ATOM 0 H LYS A -2 -12.181 -6.733 3.948 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.596 -6.318 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.175 -8.432 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -11.886 -7.519 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.368 -6.965 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.711 -7.786 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.733 -9.346 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.330 -9.926 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.067 -9.186 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.427 -8.028 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.403 -10.463 9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.308 -9.601 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.055 -10.797 9.525 1.00 0.00 H new ATOM 74 N ALA A -1 -13.799 -4.595 7.273 1.00 0.00 N ATOM 75 CA ALA A -1 -13.371 -3.414 8.079 1.00 0.00 C ATOM 76 C ALA A -1 -11.888 -3.546 8.434 1.00 0.00 C ATOM 77 O ALA A -1 -11.218 -2.572 8.711 1.00 0.00 O ATOM 78 CB ALA A -1 -14.198 -3.348 9.363 1.00 0.00 C ATOM 0 H ALA A -1 -14.724 -4.961 7.499 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.525 -2.504 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.886 -2.486 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.254 -3.253 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.044 -4.258 9.942 1.00 0.00 H new ATOM 84 N GLY A 1 -11.372 -4.745 8.422 1.00 0.00 N ATOM 85 CA GLY A 1 -9.933 -4.944 8.750 1.00 0.00 C ATOM 86 C GLY A 1 -9.549 -4.074 9.948 1.00 0.00 C ATOM 87 O GLY A 1 -9.217 -2.914 9.804 1.00 0.00 O ATOM 0 H GLY A 1 -11.887 -5.597 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.744 -5.993 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.316 -4.687 7.889 1.00 0.00 H new ATOM 91 N SER A 2 -9.585 -4.623 11.131 1.00 0.00 N ATOM 92 CA SER A 2 -9.214 -3.824 12.330 1.00 0.00 C ATOM 93 C SER A 2 -7.746 -3.411 12.222 1.00 0.00 C ATOM 94 O SER A 2 -6.955 -4.071 11.583 1.00 0.00 O ATOM 95 CB SER A 2 -9.418 -4.668 13.589 1.00 0.00 C ATOM 96 OG SER A 2 -10.770 -5.099 13.651 1.00 0.00 O ATOM 0 H SER A 2 -9.855 -5.589 11.318 1.00 0.00 H new ATOM 0 HA SER A 2 -9.841 -2.935 12.388 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.750 -5.529 13.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.169 -4.085 14.476 1.00 0.00 H new ATOM 0 HG SER A 2 -10.904 -5.642 14.456 1.00 0.00 H new ATOM 102 N ALA A 3 -7.376 -2.324 12.841 1.00 0.00 N ATOM 103 CA ALA A 3 -5.957 -1.877 12.768 1.00 0.00 C ATOM 104 C ALA A 3 -5.120 -2.671 13.773 1.00 0.00 C ATOM 105 O ALA A 3 -5.154 -3.885 13.802 1.00 0.00 O ATOM 106 CB ALA A 3 -5.876 -0.384 13.097 1.00 0.00 C ATOM 0 H ALA A 3 -7.993 -1.728 13.393 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.572 -2.048 11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.838 -0.056 13.044 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.472 0.180 12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.260 -0.212 14.102 1.00 0.00 H new ATOM 112 N LYS A 4 -4.371 -1.994 14.600 1.00 0.00 N ATOM 113 CA LYS A 4 -3.533 -2.702 15.609 1.00 0.00 C ATOM 114 C LYS A 4 -2.577 -3.675 14.909 1.00 0.00 C ATOM 115 O LYS A 4 -1.432 -3.357 14.661 1.00 0.00 O ATOM 116 CB LYS A 4 -4.437 -3.475 16.573 1.00 0.00 C ATOM 117 CG LYS A 4 -3.592 -4.056 17.710 1.00 0.00 C ATOM 118 CD LYS A 4 -4.484 -4.879 18.640 1.00 0.00 C ATOM 119 CE LYS A 4 -3.675 -5.327 19.859 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.313 -5.746 19.424 1.00 0.00 N ATOM 0 H LYS A 4 -4.303 -0.976 14.620 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.949 -1.969 16.165 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.205 -2.815 16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.952 -4.276 16.042 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.797 -4.682 17.304 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.111 -3.252 18.267 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.342 -4.286 18.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.876 -5.748 18.111 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.604 -4.513 20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.179 -6.154 20.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.867 -6.310 20.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.386 -6.318 18.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.734 -4.903 19.234 1.00 0.00 H new ATOM 134 N LYS A 5 -3.029 -4.861 14.600 1.00 0.00 N ATOM 135 CA LYS A 5 -2.128 -5.846 13.932 1.00 0.00 C ATOM 136 C LYS A 5 -1.625 -5.272 12.605 1.00 0.00 C ATOM 137 O LYS A 5 -0.440 -5.237 12.347 1.00 0.00 O ATOM 138 CB LYS A 5 -2.902 -7.141 13.662 1.00 0.00 C ATOM 139 CG LYS A 5 -3.508 -7.673 14.964 1.00 0.00 C ATOM 140 CD LYS A 5 -2.395 -8.089 15.931 1.00 0.00 C ATOM 141 CE LYS A 5 -2.983 -8.975 17.032 1.00 0.00 C ATOM 142 NZ LYS A 5 -3.546 -10.213 16.424 1.00 0.00 N ATOM 0 H LYS A 5 -3.978 -5.190 14.780 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.277 -6.053 14.581 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.691 -6.957 12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.237 -7.888 13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.132 -6.907 15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.154 -8.525 14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.614 -8.627 15.394 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.930 -7.206 16.369 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.212 -9.232 17.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.761 -8.435 17.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.446 -11.004 17.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.553 -10.067 16.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.033 -10.433 15.547 1.00 0.00 H new ATOM 156 N GLY A 6 -2.513 -4.821 11.761 1.00 0.00 N ATOM 157 CA GLY A 6 -2.072 -4.252 10.456 1.00 0.00 C ATOM 158 C GLY A 6 -1.221 -3.004 10.696 1.00 0.00 C ATOM 159 O GLY A 6 -0.269 -2.746 9.988 1.00 0.00 O ATOM 0 H GLY A 6 -3.521 -4.822 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.498 -4.994 9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.940 -4.000 9.847 1.00 0.00 H new ATOM 163 N ALA A 7 -1.558 -2.225 11.686 1.00 0.00 N ATOM 164 CA ALA A 7 -0.770 -0.994 11.963 1.00 0.00 C ATOM 165 C ALA A 7 0.685 -1.372 12.229 1.00 0.00 C ATOM 166 O ALA A 7 1.600 -0.697 11.801 1.00 0.00 O ATOM 167 CB ALA A 7 -1.346 -0.284 13.190 1.00 0.00 C ATOM 0 H ALA A 7 -2.345 -2.388 12.314 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.821 -0.328 11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.769 0.618 13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.385 -0.015 13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.295 -0.949 14.052 1.00 0.00 H new ATOM 173 N THR A 8 0.908 -2.448 12.928 1.00 0.00 N ATOM 174 CA THR A 8 2.303 -2.869 13.215 1.00 0.00 C ATOM 175 C THR A 8 2.954 -3.369 11.925 1.00 0.00 C ATOM 176 O THR A 8 4.120 -3.138 11.677 1.00 0.00 O ATOM 177 CB THR A 8 2.285 -3.992 14.251 1.00 0.00 C ATOM 178 OG1 THR A 8 1.659 -5.139 13.696 1.00 0.00 O ATOM 179 CG2 THR A 8 1.509 -3.531 15.485 1.00 0.00 C ATOM 0 H THR A 8 0.183 -3.054 13.313 1.00 0.00 H new ATOM 0 HA THR A 8 2.873 -2.025 13.604 1.00 0.00 H new ATOM 0 HB THR A 8 3.307 -4.241 14.537 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.760 -4.903 13.386 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.495 -4.331 16.226 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.991 -2.651 15.910 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.487 -3.282 15.200 1.00 0.00 H new ATOM 187 N LEU A 9 2.205 -4.046 11.096 1.00 0.00 N ATOM 188 CA LEU A 9 2.781 -4.549 9.818 1.00 0.00 C ATOM 189 C LEU A 9 3.329 -3.366 9.026 1.00 0.00 C ATOM 190 O LEU A 9 4.485 -3.323 8.664 1.00 0.00 O ATOM 191 CB LEU A 9 1.685 -5.242 8.997 1.00 0.00 C ATOM 192 CG LEU A 9 1.660 -6.753 9.277 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.798 -7.448 8.525 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.812 -7.019 10.778 1.00 0.00 C ATOM 0 H LEU A 9 1.222 -4.271 11.249 1.00 0.00 H new ATOM 0 HA LEU A 9 3.579 -5.261 10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.715 -4.808 9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.856 -5.068 7.935 1.00 0.00 H new ATOM 0 HG LEU A 9 0.703 -7.149 8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.770 -8.518 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.681 -7.282 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.754 -7.040 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.792 -8.093 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.760 -6.609 11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.992 -6.544 11.317 1.00 0.00 H new ATOM 206 N PHE A 10 2.500 -2.397 8.766 1.00 0.00 N ATOM 207 CA PHE A 10 2.958 -1.205 8.005 1.00 0.00 C ATOM 208 C PHE A 10 4.052 -0.489 8.799 1.00 0.00 C ATOM 209 O PHE A 10 5.037 -0.030 8.252 1.00 0.00 O ATOM 210 CB PHE A 10 1.774 -0.253 7.807 1.00 0.00 C ATOM 211 CG PHE A 10 2.168 0.857 6.863 1.00 0.00 C ATOM 212 CD1 PHE A 10 2.824 1.992 7.351 1.00 0.00 C ATOM 213 CD2 PHE A 10 1.874 0.749 5.500 1.00 0.00 C ATOM 214 CE1 PHE A 10 3.188 3.020 6.472 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.238 1.776 4.622 1.00 0.00 C ATOM 216 CZ PHE A 10 2.896 2.911 5.109 1.00 0.00 C ATOM 0 H PHE A 10 1.520 -2.379 9.049 1.00 0.00 H new ATOM 0 HA PHE A 10 3.351 -1.514 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.919 -0.798 7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.465 0.164 8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.049 2.076 8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.366 -0.127 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.694 3.897 6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.011 1.693 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.178 3.703 4.432 1.00 0.00 H new ATOM 226 N LYS A 11 3.872 -0.376 10.086 1.00 0.00 N ATOM 227 CA LYS A 11 4.873 0.327 10.933 1.00 0.00 C ATOM 228 C LYS A 11 6.235 -0.373 10.876 1.00 0.00 C ATOM 229 O LYS A 11 7.267 0.267 10.894 1.00 0.00 O ATOM 230 CB LYS A 11 4.388 0.333 12.383 1.00 0.00 C ATOM 231 CG LYS A 11 5.256 1.284 13.208 1.00 0.00 C ATOM 232 CD LYS A 11 4.808 1.242 14.670 1.00 0.00 C ATOM 233 CE LYS A 11 5.541 2.329 15.458 1.00 0.00 C ATOM 234 NZ LYS A 11 7.001 2.248 15.174 1.00 0.00 N ATOM 0 H LYS A 11 3.066 -0.745 10.591 1.00 0.00 H new ATOM 0 HA LYS A 11 4.984 1.344 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.345 0.645 12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.437 -0.674 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.305 0.997 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.173 2.299 12.820 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.731 1.394 14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.019 0.262 15.098 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.160 3.312 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.360 2.204 16.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.528 2.744 15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.295 1.251 15.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.201 2.693 14.256 1.00 0.00 H new ATOM 248 N THR A 12 6.251 -1.678 10.850 1.00 0.00 N ATOM 249 CA THR A 12 7.556 -2.408 10.842 1.00 0.00 C ATOM 250 C THR A 12 7.867 -3.001 9.463 1.00 0.00 C ATOM 251 O THR A 12 8.847 -3.702 9.304 1.00 0.00 O ATOM 252 CB THR A 12 7.493 -3.541 11.869 1.00 0.00 C ATOM 253 OG1 THR A 12 6.635 -4.565 11.386 1.00 0.00 O ATOM 254 CG2 THR A 12 6.950 -3.003 13.193 1.00 0.00 C ATOM 0 H THR A 12 5.421 -2.271 10.834 1.00 0.00 H new ATOM 0 HA THR A 12 8.346 -1.699 11.090 1.00 0.00 H new ATOM 0 HB THR A 12 8.493 -3.945 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.706 -4.253 11.412 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.906 -3.811 13.923 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.607 -2.215 13.563 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.950 -2.598 13.038 1.00 0.00 H new ATOM 262 N ARG A 13 7.064 -2.747 8.468 1.00 0.00 N ATOM 263 CA ARG A 13 7.370 -3.334 7.130 1.00 0.00 C ATOM 264 C ARG A 13 6.924 -2.391 6.009 1.00 0.00 C ATOM 265 O ARG A 13 6.600 -2.830 4.922 1.00 0.00 O ATOM 266 CB ARG A 13 6.653 -4.679 6.984 1.00 0.00 C ATOM 267 CG ARG A 13 7.159 -5.647 8.054 1.00 0.00 C ATOM 268 CD ARG A 13 6.567 -7.036 7.807 1.00 0.00 C ATOM 269 NE ARG A 13 7.184 -7.628 6.588 1.00 0.00 N ATOM 270 CZ ARG A 13 7.148 -8.920 6.400 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.571 -9.691 7.281 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.690 -9.440 5.332 1.00 0.00 N ATOM 0 H ARG A 13 6.224 -2.170 8.518 1.00 0.00 H new ATOM 0 HA ARG A 13 8.447 -3.480 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.576 -4.542 7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.832 -5.092 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.248 -5.695 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.877 -5.291 9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.748 -7.679 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.486 -6.966 7.683 1.00 0.00 H new ATOM 0 HE ARG A 13 7.635 -7.025 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.149 -9.284 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.543 -10.700 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.142 -8.837 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.662 -10.449 5.185 1.00 0.00 H new ATOM 286 N CYS A 14 6.905 -1.108 6.242 1.00 0.00 N ATOM 287 CA CYS A 14 6.476 -0.179 5.156 1.00 0.00 C ATOM 288 C CYS A 14 6.734 1.284 5.555 1.00 0.00 C ATOM 289 O CYS A 14 6.872 2.145 4.710 1.00 0.00 O ATOM 290 CB CYS A 14 4.986 -0.397 4.882 1.00 0.00 C ATOM 291 SG CYS A 14 4.581 0.201 3.221 1.00 0.00 S ATOM 0 H CYS A 14 7.164 -0.666 7.124 1.00 0.00 H new ATOM 0 HA CYS A 14 7.054 -0.386 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.741 -1.456 4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.388 0.130 5.625 1.00 0.00 H new ATOM 296 N LEU A 15 6.799 1.576 6.827 1.00 0.00 N ATOM 297 CA LEU A 15 7.047 2.985 7.265 1.00 0.00 C ATOM 298 C LEU A 15 8.387 3.478 6.705 1.00 0.00 C ATOM 299 O LEU A 15 8.536 4.625 6.331 1.00 0.00 O ATOM 300 CB LEU A 15 7.108 3.025 8.793 1.00 0.00 C ATOM 301 CG LEU A 15 6.638 4.390 9.312 1.00 0.00 C ATOM 302 CD1 LEU A 15 7.400 5.513 8.609 1.00 0.00 C ATOM 303 CD2 LEU A 15 5.139 4.557 9.049 1.00 0.00 C ATOM 0 H LEU A 15 6.691 0.901 7.584 1.00 0.00 H new ATOM 0 HA LEU A 15 6.243 3.624 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.482 2.236 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.127 2.833 9.128 1.00 0.00 H new ATOM 0 HG LEU A 15 6.830 4.441 10.384 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.057 6.477 8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.467 5.406 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.220 5.459 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.811 5.528 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.948 4.494 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.589 3.768 9.562 1.00 0.00 H new ATOM 315 N GLN A 16 9.372 2.625 6.668 1.00 0.00 N ATOM 316 CA GLN A 16 10.714 3.045 6.168 1.00 0.00 C ATOM 317 C GLN A 16 10.626 3.603 4.744 1.00 0.00 C ATOM 318 O GLN A 16 11.340 4.521 4.390 1.00 0.00 O ATOM 319 CB GLN A 16 11.650 1.835 6.173 1.00 0.00 C ATOM 320 CG GLN A 16 11.859 1.362 7.611 1.00 0.00 C ATOM 321 CD GLN A 16 12.770 0.133 7.617 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.971 -0.495 6.596 1.00 0.00 O ATOM 323 NE2 GLN A 16 13.333 -0.242 8.734 1.00 0.00 N ATOM 0 H GLN A 16 9.307 1.651 6.963 1.00 0.00 H new ATOM 0 HA GLN A 16 11.096 3.829 6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.226 1.031 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.607 2.099 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.303 2.160 8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.900 1.119 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.165 0.284 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.941 -1.061 8.749 1.00 0.00 H new ATOM 332 N CYS A 17 9.784 3.055 3.916 1.00 0.00 N ATOM 333 CA CYS A 17 9.698 3.563 2.515 1.00 0.00 C ATOM 334 C CYS A 17 8.568 4.585 2.365 1.00 0.00 C ATOM 335 O CYS A 17 8.761 5.654 1.821 1.00 0.00 O ATOM 336 CB CYS A 17 9.441 2.396 1.565 1.00 0.00 C ATOM 337 SG CYS A 17 10.902 1.330 1.500 1.00 0.00 S ATOM 0 H CYS A 17 9.156 2.284 4.143 1.00 0.00 H new ATOM 0 HA CYS A 17 10.643 4.050 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.576 1.824 1.902 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.207 2.770 0.568 1.00 0.00 H new ATOM 342 N HIS A 18 7.387 4.263 2.817 1.00 0.00 N ATOM 343 CA HIS A 18 6.250 5.218 2.667 1.00 0.00 C ATOM 344 C HIS A 18 5.985 5.939 3.991 1.00 0.00 C ATOM 345 O HIS A 18 5.788 5.322 5.019 1.00 0.00 O ATOM 346 CB HIS A 18 4.995 4.446 2.261 1.00 0.00 C ATOM 347 CG HIS A 18 5.122 3.957 0.845 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.925 4.780 -0.258 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.391 2.716 0.341 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.073 4.020 -1.364 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.357 2.758 -1.044 1.00 0.00 N ATOM 0 H HIS A 18 7.160 3.384 3.282 1.00 0.00 H new ATOM 0 HA HIS A 18 6.504 5.953 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.845 3.601 2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.118 5.087 2.355 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.708 5.776 -0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.599 1.836 0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.974 4.387 -2.375 1.00 0.00 H new ATOM 359 N THR A 19 5.965 7.246 3.968 1.00 0.00 N ATOM 360 CA THR A 19 5.696 8.010 5.219 1.00 0.00 C ATOM 361 C THR A 19 4.184 8.182 5.390 1.00 0.00 C ATOM 362 O THR A 19 3.691 8.362 6.484 1.00 0.00 O ATOM 363 CB THR A 19 6.362 9.385 5.132 1.00 0.00 C ATOM 364 OG1 THR A 19 5.743 10.145 4.104 1.00 0.00 O ATOM 365 CG2 THR A 19 7.849 9.214 4.819 1.00 0.00 C ATOM 0 H THR A 19 6.123 7.816 3.137 1.00 0.00 H new ATOM 0 HA THR A 19 6.101 7.467 6.073 1.00 0.00 H new ATOM 0 HB THR A 19 6.251 9.904 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.925 11.097 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.323 10.194 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.322 8.631 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.963 8.695 3.867 1.00 0.00 H new ATOM 373 N VAL A 20 3.448 8.125 4.311 1.00 0.00 N ATOM 374 CA VAL A 20 1.967 8.280 4.403 1.00 0.00 C ATOM 375 C VAL A 20 1.613 9.680 4.913 1.00 0.00 C ATOM 376 O VAL A 20 0.456 10.012 5.069 1.00 0.00 O ATOM 377 CB VAL A 20 1.401 7.233 5.362 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.093 7.046 5.092 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.127 5.905 5.148 1.00 0.00 C ATOM 0 H VAL A 20 3.810 7.978 3.369 1.00 0.00 H new ATOM 0 HA VAL A 20 1.535 8.142 3.412 1.00 0.00 H new ATOM 0 HB VAL A 20 1.544 7.566 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.496 6.299 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.611 7.993 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.238 6.712 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.725 5.156 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.983 5.573 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.192 6.037 5.340 1.00 0.00 H new ATOM 389 N GLU A 21 2.593 10.505 5.168 1.00 0.00 N ATOM 390 CA GLU A 21 2.288 11.880 5.663 1.00 0.00 C ATOM 391 C GLU A 21 2.414 12.876 4.509 1.00 0.00 C ATOM 392 O GLU A 21 3.437 12.963 3.858 1.00 0.00 O ATOM 393 CB GLU A 21 3.277 12.257 6.769 1.00 0.00 C ATOM 394 CG GLU A 21 3.104 11.309 7.957 1.00 0.00 C ATOM 395 CD GLU A 21 4.039 11.733 9.091 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.867 12.597 8.856 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.910 11.186 10.174 1.00 0.00 O ATOM 0 H GLU A 21 3.584 10.290 5.056 1.00 0.00 H new ATOM 0 HA GLU A 21 1.273 11.906 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.298 12.201 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.110 13.287 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.069 11.324 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.324 10.285 7.654 1.00 0.00 H new ATOM 404 N LYS A 22 1.382 13.633 4.252 1.00 0.00 N ATOM 405 CA LYS A 22 1.445 14.625 3.142 1.00 0.00 C ATOM 406 C LYS A 22 2.408 15.753 3.517 1.00 0.00 C ATOM 407 O LYS A 22 3.159 16.242 2.695 1.00 0.00 O ATOM 408 CB LYS A 22 0.047 15.202 2.893 1.00 0.00 C ATOM 409 CG LYS A 22 -0.378 16.064 4.086 1.00 0.00 C ATOM 410 CD LYS A 22 -1.830 16.509 3.901 1.00 0.00 C ATOM 411 CE LYS A 22 -2.158 17.611 4.909 1.00 0.00 C ATOM 412 NZ LYS A 22 -2.114 18.937 4.228 1.00 0.00 N ATOM 0 H LYS A 22 0.499 13.607 4.762 1.00 0.00 H new ATOM 0 HA LYS A 22 1.801 14.135 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.047 15.800 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.669 14.394 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.275 15.499 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.273 16.934 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.983 16.873 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.502 15.662 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.146 17.443 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.444 17.589 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.337 19.687 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.163 19.096 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.811 18.954 3.457 1.00 0.00 H new ATOM 426 N GLY A 23 2.393 16.170 4.754 1.00 0.00 N ATOM 427 CA GLY A 23 3.307 17.268 5.181 1.00 0.00 C ATOM 428 C GLY A 23 4.757 16.859 4.926 1.00 0.00 C ATOM 429 O GLY A 23 5.585 17.668 4.557 1.00 0.00 O ATOM 0 H GLY A 23 1.788 15.798 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.075 18.181 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.161 17.485 6.239 1.00 0.00 H new ATOM 433 N GLY A 24 5.070 15.609 5.121 1.00 0.00 N ATOM 434 CA GLY A 24 6.468 15.149 4.889 1.00 0.00 C ATOM 435 C GLY A 24 6.725 15.026 3.385 1.00 0.00 C ATOM 436 O GLY A 24 5.811 14.819 2.611 1.00 0.00 O ATOM 0 H GLY A 24 4.420 14.887 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.172 15.854 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.631 14.187 5.376 1.00 0.00 H new ATOM 440 N PRO A 25 7.961 15.146 2.972 1.00 0.00 N ATOM 441 CA PRO A 25 8.343 15.040 1.534 1.00 0.00 C ATOM 442 C PRO A 25 8.299 13.591 1.041 1.00 0.00 C ATOM 443 O PRO A 25 7.608 12.760 1.595 1.00 0.00 O ATOM 444 CB PRO A 25 9.776 15.573 1.505 1.00 0.00 C ATOM 445 CG PRO A 25 10.316 15.291 2.865 1.00 0.00 C ATOM 446 CD PRO A 25 9.133 15.395 3.827 1.00 0.00 C ATOM 0 HA PRO A 25 7.662 15.590 0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.367 15.077 0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.796 16.640 1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.765 14.299 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.096 16.005 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.205 14.662 4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.084 16.378 4.296 1.00 0.00 H new ATOM 454 N HIS A 26 9.035 13.282 0.009 1.00 0.00 N ATOM 455 CA HIS A 26 9.041 11.887 -0.514 1.00 0.00 C ATOM 456 C HIS A 26 10.374 11.226 -0.163 1.00 0.00 C ATOM 457 O HIS A 26 11.430 11.801 -0.348 1.00 0.00 O ATOM 458 CB HIS A 26 8.877 11.909 -2.035 1.00 0.00 C ATOM 459 CG HIS A 26 7.546 12.506 -2.393 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.363 11.783 -2.306 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.191 13.752 -2.852 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.364 12.590 -2.704 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.815 13.797 -3.045 1.00 0.00 N ATOM 0 H HIS A 26 9.633 13.936 -0.495 1.00 0.00 H new ATOM 0 HA HIS A 26 8.219 11.327 -0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.680 12.490 -2.489 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.951 10.897 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.874 14.568 -3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.325 12.297 -2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.265 14.589 -3.378 1.00 0.00 H new ATOM 472 N LYS A 27 10.339 10.022 0.338 1.00 0.00 N ATOM 473 CA LYS A 27 11.607 9.325 0.693 1.00 0.00 C ATOM 474 C LYS A 27 11.912 8.278 -0.381 1.00 0.00 C ATOM 475 O LYS A 27 11.973 8.585 -1.555 1.00 0.00 O ATOM 476 CB LYS A 27 11.452 8.641 2.053 1.00 0.00 C ATOM 477 CG LYS A 27 12.830 8.254 2.599 1.00 0.00 C ATOM 478 CD LYS A 27 12.664 7.508 3.924 1.00 0.00 C ATOM 479 CE LYS A 27 14.038 7.262 4.548 1.00 0.00 C ATOM 480 NZ LYS A 27 14.316 5.798 4.573 1.00 0.00 N ATOM 0 H LYS A 27 9.487 9.491 0.517 1.00 0.00 H new ATOM 0 HA LYS A 27 12.424 10.044 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.949 9.310 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.827 7.753 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.355 7.626 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.438 9.146 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.043 8.089 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.153 6.559 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.808 7.780 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.068 7.666 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.994 5.586 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.431 5.279 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.717 5.505 3.659 1.00 0.00 H new ATOM 494 N VAL A 28 12.094 7.047 0.004 1.00 0.00 N ATOM 495 CA VAL A 28 12.383 5.993 -1.007 1.00 0.00 C ATOM 496 C VAL A 28 11.171 5.843 -1.926 1.00 0.00 C ATOM 497 O VAL A 28 11.304 5.650 -3.120 1.00 0.00 O ATOM 498 CB VAL A 28 12.660 4.664 -0.298 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.928 3.576 -1.340 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.884 4.816 0.607 1.00 0.00 C ATOM 0 H VAL A 28 12.055 6.725 0.971 1.00 0.00 H new ATOM 0 HA VAL A 28 13.258 6.273 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 28 11.795 4.385 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.125 2.630 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.057 3.468 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.793 3.854 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.082 3.871 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.749 5.094 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.694 5.591 1.349 1.00 0.00 H new ATOM 510 N GLY A 29 9.988 5.934 -1.378 1.00 0.00 N ATOM 511 CA GLY A 29 8.757 5.801 -2.211 1.00 0.00 C ATOM 512 C GLY A 29 7.839 6.999 -1.958 1.00 0.00 C ATOM 513 O GLY A 29 8.009 7.733 -1.005 1.00 0.00 O ATOM 0 H GLY A 29 9.821 6.095 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.023 5.750 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.238 4.874 -1.967 1.00 0.00 H new ATOM 517 N PRO A 30 6.873 7.191 -2.815 1.00 0.00 N ATOM 518 CA PRO A 30 5.899 8.319 -2.703 1.00 0.00 C ATOM 519 C PRO A 30 5.047 8.230 -1.432 1.00 0.00 C ATOM 520 O PRO A 30 4.776 7.160 -0.933 1.00 0.00 O ATOM 521 CB PRO A 30 5.011 8.172 -3.945 1.00 0.00 C ATOM 522 CG PRO A 30 5.193 6.765 -4.406 1.00 0.00 C ATOM 523 CD PRO A 30 6.601 6.350 -3.988 1.00 0.00 C ATOM 0 HA PRO A 30 6.410 9.280 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.967 8.374 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.303 8.879 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.446 6.110 -3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.072 6.692 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.650 5.289 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.324 6.526 -4.784 1.00 0.00 H new ATOM 531 N ASN A 31 4.614 9.348 -0.912 1.00 0.00 N ATOM 532 CA ASN A 31 3.774 9.317 0.317 1.00 0.00 C ATOM 533 C ASN A 31 2.329 8.995 -0.075 1.00 0.00 C ATOM 534 O ASN A 31 1.839 9.449 -1.090 1.00 0.00 O ATOM 535 CB ASN A 31 3.821 10.684 1.004 1.00 0.00 C ATOM 536 CG ASN A 31 5.241 10.964 1.500 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.494 11.987 2.105 1.00 0.00 O ATOM 538 ND2 ASN A 31 6.187 10.095 1.270 1.00 0.00 N ATOM 0 H ASN A 31 4.806 10.278 -1.285 1.00 0.00 H new ATOM 0 HA ASN A 31 4.151 8.556 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.509 11.462 0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.123 10.705 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.136 10.275 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.977 9.235 0.762 1.00 0.00 H new ATOM 545 N LEU A 32 1.642 8.214 0.714 1.00 0.00 N ATOM 546 CA LEU A 32 0.231 7.868 0.370 1.00 0.00 C ATOM 547 C LEU A 32 -0.727 8.814 1.094 1.00 0.00 C ATOM 548 O LEU A 32 -0.538 9.144 2.249 1.00 0.00 O ATOM 549 CB LEU A 32 -0.067 6.426 0.792 1.00 0.00 C ATOM 550 CG LEU A 32 0.788 5.459 -0.032 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.258 5.575 0.380 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.306 4.028 0.210 1.00 0.00 C ATOM 0 H LEU A 32 1.994 7.802 1.578 1.00 0.00 H new ATOM 0 HA LEU A 32 0.095 7.968 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.142 6.297 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.125 6.206 0.647 1.00 0.00 H new ATOM 0 HG LEU A 32 0.693 5.709 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.857 4.883 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.605 6.594 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.360 5.330 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.912 3.336 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.400 3.787 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.738 3.940 -0.091 1.00 0.00 H new ATOM 564 N HIS A 33 -1.758 9.248 0.423 1.00 0.00 N ATOM 565 CA HIS A 33 -2.737 10.169 1.064 1.00 0.00 C ATOM 566 C HIS A 33 -3.932 10.360 0.130 1.00 0.00 C ATOM 567 O HIS A 33 -3.941 11.238 -0.710 1.00 0.00 O ATOM 568 CB HIS A 33 -2.072 11.520 1.332 1.00 0.00 C ATOM 569 CG HIS A 33 -3.030 12.413 2.073 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.852 13.320 1.419 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.308 12.550 3.410 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.578 13.958 2.356 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.284 13.524 3.583 1.00 0.00 N ATOM 0 H HIS A 33 -1.965 9.003 -0.545 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.076 9.744 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.163 11.380 1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.778 11.985 0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.841 11.988 4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.307 14.725 2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.690 13.841 4.463 1.00 0.00 H new ATOM 582 N GLY A 34 -4.939 9.541 0.264 1.00 0.00 N ATOM 583 CA GLY A 34 -6.129 9.675 -0.621 1.00 0.00 C ATOM 584 C GLY A 34 -5.949 8.780 -1.848 1.00 0.00 C ATOM 585 O GLY A 34 -6.751 8.788 -2.760 1.00 0.00 O ATOM 0 H GLY A 34 -4.989 8.786 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.032 9.393 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.253 10.713 -0.929 1.00 0.00 H new ATOM 589 N ILE A 35 -4.899 8.006 -1.878 1.00 0.00 N ATOM 590 CA ILE A 35 -4.664 7.110 -3.044 1.00 0.00 C ATOM 591 C ILE A 35 -5.856 6.165 -3.212 1.00 0.00 C ATOM 592 O ILE A 35 -6.093 5.633 -4.278 1.00 0.00 O ATOM 593 CB ILE A 35 -3.391 6.293 -2.810 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.958 5.629 -4.120 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.664 5.215 -1.762 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.519 5.126 -3.986 1.00 0.00 C ATOM 0 H ILE A 35 -4.193 7.956 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.549 7.710 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.598 6.953 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.624 4.799 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.031 6.341 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.758 4.633 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.971 5.685 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.458 4.557 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.211 4.653 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.859 5.966 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.461 4.400 -3.175 1.00 0.00 H new ATOM 608 N PHE A 36 -6.608 5.952 -2.167 1.00 0.00 N ATOM 609 CA PHE A 36 -7.780 5.040 -2.265 1.00 0.00 C ATOM 610 C PHE A 36 -8.848 5.667 -3.163 1.00 0.00 C ATOM 611 O PHE A 36 -9.158 6.837 -3.053 1.00 0.00 O ATOM 612 CB PHE A 36 -8.360 4.821 -0.867 1.00 0.00 C ATOM 613 CG PHE A 36 -7.421 3.962 -0.055 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.368 4.550 0.659 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.605 2.576 -0.015 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.501 3.749 1.412 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.739 1.776 0.738 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.687 2.362 1.451 1.00 0.00 C ATOM 0 H PHE A 36 -6.460 6.371 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.466 4.087 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.511 5.780 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.336 4.342 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.225 5.620 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.416 2.123 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.689 4.201 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.882 0.706 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.018 1.744 2.032 1.00 0.00 H new ATOM 628 N GLY A 37 -9.416 4.895 -4.049 1.00 0.00 N ATOM 629 CA GLY A 37 -10.466 5.441 -4.953 1.00 0.00 C ATOM 630 C GLY A 37 -9.819 6.342 -6.006 1.00 0.00 C ATOM 631 O GLY A 37 -10.465 7.191 -6.589 1.00 0.00 O ATOM 0 H GLY A 37 -9.197 3.908 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.003 4.625 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.198 6.006 -4.377 1.00 0.00 H new ATOM 635 N ARG A 38 -8.551 6.168 -6.254 1.00 0.00 N ATOM 636 CA ARG A 38 -7.872 7.022 -7.269 1.00 0.00 C ATOM 637 C ARG A 38 -6.852 6.194 -8.053 1.00 0.00 C ATOM 638 O ARG A 38 -6.507 5.091 -7.677 1.00 0.00 O ATOM 639 CB ARG A 38 -7.176 8.192 -6.573 1.00 0.00 C ATOM 640 CG ARG A 38 -8.236 9.128 -5.985 1.00 0.00 C ATOM 641 CD ARG A 38 -7.559 10.368 -5.398 1.00 0.00 C ATOM 642 NE ARG A 38 -8.584 11.239 -4.756 1.00 0.00 N ATOM 643 CZ ARG A 38 -9.187 10.850 -3.664 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.892 9.695 -3.131 1.00 0.00 N ATOM 645 NH2 ARG A 38 -10.083 11.616 -3.105 1.00 0.00 N ATOM 0 H ARG A 38 -7.957 5.474 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.615 7.411 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.520 7.824 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.549 8.732 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.946 9.421 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.803 8.611 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.808 10.072 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.040 10.918 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.816 12.142 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.191 9.096 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.363 9.392 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.313 12.519 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.554 11.312 -2.253 1.00 0.00 H new ATOM 659 N HIS A 39 -6.377 6.715 -9.154 1.00 0.00 N ATOM 660 CA HIS A 39 -5.393 5.959 -9.978 1.00 0.00 C ATOM 661 C HIS A 39 -3.967 6.388 -9.624 1.00 0.00 C ATOM 662 O HIS A 39 -3.744 7.421 -9.025 1.00 0.00 O ATOM 663 CB HIS A 39 -5.652 6.239 -11.459 1.00 0.00 C ATOM 664 CG HIS A 39 -6.997 5.692 -11.847 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.159 6.445 -11.750 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.384 4.468 -12.336 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.180 5.676 -12.172 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.760 4.464 -12.539 1.00 0.00 N ATOM 0 H HIS A 39 -6.630 7.634 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.505 4.894 -9.776 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.616 7.312 -11.649 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.872 5.781 -12.068 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.722 3.637 -12.532 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.210 5.999 -12.209 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.329 3.695 -12.894 1.00 0.00 H new ATOM 677 N SER A 40 -3.000 5.590 -9.992 1.00 0.00 N ATOM 678 CA SER A 40 -1.582 5.929 -9.684 1.00 0.00 C ATOM 679 C SER A 40 -1.166 7.179 -10.464 1.00 0.00 C ATOM 680 O SER A 40 -1.839 7.605 -11.381 1.00 0.00 O ATOM 681 CB SER A 40 -0.685 4.761 -10.092 1.00 0.00 C ATOM 682 OG SER A 40 -0.624 4.691 -11.511 1.00 0.00 O ATOM 0 H SER A 40 -3.134 4.713 -10.496 1.00 0.00 H new ATOM 0 HA SER A 40 -1.481 6.120 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.315 4.894 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.076 3.828 -9.686 1.00 0.00 H new ATOM 0 HG SER A 40 0.274 4.411 -11.786 1.00 0.00 H new ATOM 688 N GLY A 41 -0.059 7.766 -10.104 1.00 0.00 N ATOM 689 CA GLY A 41 0.411 8.985 -10.817 1.00 0.00 C ATOM 690 C GLY A 41 0.038 10.228 -10.008 1.00 0.00 C ATOM 691 O GLY A 41 0.477 11.325 -10.296 1.00 0.00 O ATOM 0 H GLY A 41 0.543 7.452 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.491 8.942 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.039 9.035 -11.808 1.00 0.00 H new ATOM 695 N GLN A 42 -0.770 10.067 -8.996 1.00 0.00 N ATOM 696 CA GLN A 42 -1.173 11.237 -8.169 1.00 0.00 C ATOM 697 C GLN A 42 0.060 11.848 -7.495 1.00 0.00 C ATOM 698 O GLN A 42 0.176 13.050 -7.369 1.00 0.00 O ATOM 699 CB GLN A 42 -2.164 10.786 -7.096 1.00 0.00 C ATOM 700 CG GLN A 42 -2.753 12.014 -6.400 1.00 0.00 C ATOM 701 CD GLN A 42 -3.638 11.564 -5.239 1.00 0.00 C ATOM 702 OE1 GLN A 42 -3.150 11.257 -4.168 1.00 0.00 O ATOM 703 NE2 GLN A 42 -4.932 11.503 -5.407 1.00 0.00 N ATOM 0 H GLN A 42 -1.169 9.174 -8.707 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.641 11.984 -8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.960 10.193 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.663 10.147 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.953 12.657 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.335 12.603 -7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.342 11.760 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.532 11.198 -4.641 1.00 0.00 H new ATOM 712 N ALA A 43 0.977 11.029 -7.054 1.00 0.00 N ATOM 713 CA ALA A 43 2.194 11.570 -6.383 1.00 0.00 C ATOM 714 C ALA A 43 3.091 12.249 -7.418 1.00 0.00 C ATOM 715 O ALA A 43 4.186 11.807 -7.702 1.00 0.00 O ATOM 716 CB ALA A 43 2.958 10.431 -5.710 1.00 0.00 C ATOM 0 H ALA A 43 0.936 10.013 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 43 1.897 12.299 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.847 10.829 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.319 9.952 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.254 9.698 -6.461 1.00 0.00 H new ATOM 722 N GLU A 44 2.631 13.327 -7.978 1.00 0.00 N ATOM 723 CA GLU A 44 3.447 14.049 -8.993 1.00 0.00 C ATOM 724 C GLU A 44 4.755 14.517 -8.352 1.00 0.00 C ATOM 725 O GLU A 44 5.784 14.584 -8.994 1.00 0.00 O ATOM 726 CB GLU A 44 2.665 15.261 -9.504 1.00 0.00 C ATOM 727 CG GLU A 44 1.409 14.785 -10.236 1.00 0.00 C ATOM 728 CD GLU A 44 0.661 15.992 -10.806 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.036 17.105 -10.476 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.272 15.783 -11.562 1.00 0.00 O ATOM 0 H GLU A 44 1.722 13.743 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 44 3.669 13.383 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.390 15.908 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.288 15.853 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.681 14.100 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.764 14.234 -9.552 1.00 0.00 H new ATOM 737 N GLY A 45 4.722 14.839 -7.087 1.00 0.00 N ATOM 738 CA GLY A 45 5.963 15.302 -6.404 1.00 0.00 C ATOM 739 C GLY A 45 7.063 14.250 -6.562 1.00 0.00 C ATOM 740 O GLY A 45 8.231 14.571 -6.658 1.00 0.00 O ATOM 0 H GLY A 45 3.890 14.801 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.291 16.251 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.764 15.478 -5.347 1.00 0.00 H new ATOM 744 N TYR A 46 6.700 12.994 -6.588 1.00 0.00 N ATOM 745 CA TYR A 46 7.726 11.922 -6.739 1.00 0.00 C ATOM 746 C TYR A 46 7.605 11.304 -8.134 1.00 0.00 C ATOM 747 O TYR A 46 6.522 11.014 -8.602 1.00 0.00 O ATOM 748 CB TYR A 46 7.492 10.844 -5.677 1.00 0.00 C ATOM 749 CG TYR A 46 8.679 9.910 -5.629 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.842 10.295 -4.949 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.619 8.656 -6.255 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.942 9.432 -4.896 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.722 7.792 -6.202 1.00 0.00 C ATOM 754 CZ TYR A 46 10.883 8.181 -5.522 1.00 0.00 C ATOM 755 OH TYR A 46 11.969 7.330 -5.469 1.00 0.00 O ATOM 0 H TYR A 46 5.738 12.665 -6.511 1.00 0.00 H new ATOM 0 HA TYR A 46 8.723 12.344 -6.613 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.342 11.307 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.586 10.284 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.889 11.259 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.723 8.356 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.838 9.731 -4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.676 6.827 -6.685 1.00 0.00 H new ATOM 0 HH TYR A 46 11.864 6.712 -4.715 1.00 0.00 H new ATOM 765 N SER A 47 8.706 11.111 -8.804 1.00 0.00 N ATOM 766 CA SER A 47 8.656 10.524 -10.172 1.00 0.00 C ATOM 767 C SER A 47 8.120 9.089 -10.110 1.00 0.00 C ATOM 768 O SER A 47 8.207 8.424 -9.097 1.00 0.00 O ATOM 769 CB SER A 47 10.062 10.512 -10.772 1.00 0.00 C ATOM 770 OG SER A 47 10.572 11.839 -10.793 1.00 0.00 O ATOM 0 H SER A 47 9.641 11.335 -8.463 1.00 0.00 H new ATOM 0 HA SER A 47 7.994 11.127 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.716 9.868 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.036 10.103 -11.782 1.00 0.00 H new ATOM 0 HG SER A 47 11.474 11.837 -11.175 1.00 0.00 H new ATOM 776 N TYR A 48 7.575 8.612 -11.197 1.00 0.00 N ATOM 777 CA TYR A 48 7.036 7.220 -11.228 1.00 0.00 C ATOM 778 C TYR A 48 7.898 6.365 -12.156 1.00 0.00 C ATOM 779 O TYR A 48 8.403 6.834 -13.158 1.00 0.00 O ATOM 780 CB TYR A 48 5.597 7.233 -11.750 1.00 0.00 C ATOM 781 CG TYR A 48 4.661 7.712 -10.667 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.385 9.078 -10.529 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.064 6.786 -9.805 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.511 9.516 -9.526 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.189 7.224 -8.803 1.00 0.00 C ATOM 786 CZ TYR A 48 2.912 8.588 -8.665 1.00 0.00 C ATOM 787 OH TYR A 48 2.047 9.018 -7.679 1.00 0.00 O ATOM 0 H TYR A 48 7.479 9.130 -12.071 1.00 0.00 H new ATOM 0 HA TYR A 48 7.052 6.806 -10.220 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.523 7.884 -12.621 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.310 6.233 -12.075 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.845 9.793 -11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.278 5.733 -9.912 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.299 10.569 -9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.728 6.509 -8.137 1.00 0.00 H new ATOM 0 HH TYR A 48 1.720 8.246 -7.172 1.00 0.00 H new ATOM 797 N THR A 49 8.073 5.113 -11.833 1.00 0.00 N ATOM 798 CA THR A 49 8.905 4.233 -12.700 1.00 0.00 C ATOM 799 C THR A 49 8.102 3.832 -13.939 1.00 0.00 C ATOM 800 O THR A 49 6.890 3.918 -13.962 1.00 0.00 O ATOM 801 CB THR A 49 9.298 2.977 -11.922 1.00 0.00 C ATOM 802 OG1 THR A 49 8.162 2.138 -11.787 1.00 0.00 O ATOM 803 CG2 THR A 49 9.812 3.373 -10.537 1.00 0.00 C ATOM 0 H THR A 49 7.677 4.663 -11.008 1.00 0.00 H new ATOM 0 HA THR A 49 9.804 4.769 -13.006 1.00 0.00 H new ATOM 0 HB THR A 49 10.084 2.444 -12.458 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.775 2.253 -10.894 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.092 2.477 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.682 4.021 -10.643 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.029 3.904 -9.996 1.00 0.00 H new ATOM 811 N ASP A 50 8.769 3.392 -14.968 1.00 0.00 N ATOM 812 CA ASP A 50 8.054 2.985 -16.210 1.00 0.00 C ATOM 813 C ASP A 50 7.057 1.865 -15.896 1.00 0.00 C ATOM 814 O ASP A 50 6.016 1.759 -16.512 1.00 0.00 O ATOM 815 CB ASP A 50 9.069 2.487 -17.238 1.00 0.00 C ATOM 816 CG ASP A 50 9.941 3.652 -17.702 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.594 4.783 -17.402 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.943 3.397 -18.351 1.00 0.00 O ATOM 0 H ASP A 50 9.784 3.296 -15.003 1.00 0.00 H new ATOM 0 HA ASP A 50 7.514 3.843 -16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.691 1.705 -16.801 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.552 2.044 -18.090 1.00 0.00 H new ATOM 823 N ALA A 51 7.376 1.018 -14.957 1.00 0.00 N ATOM 824 CA ALA A 51 6.457 -0.108 -14.618 1.00 0.00 C ATOM 825 C ALA A 51 5.030 0.407 -14.392 1.00 0.00 C ATOM 826 O ALA A 51 4.141 0.151 -15.179 1.00 0.00 O ATOM 827 CB ALA A 51 6.951 -0.795 -13.347 1.00 0.00 C ATOM 0 H ALA A 51 8.235 1.056 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 51 6.447 -0.814 -15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.283 -1.618 -13.095 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.957 -1.181 -13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.966 -0.077 -12.527 1.00 0.00 H new ATOM 833 N ASN A 52 4.795 1.116 -13.319 1.00 0.00 N ATOM 834 CA ASN A 52 3.415 1.619 -13.052 1.00 0.00 C ATOM 835 C ASN A 52 2.910 2.421 -14.255 1.00 0.00 C ATOM 836 O ASN A 52 1.766 2.313 -14.644 1.00 0.00 O ATOM 837 CB ASN A 52 3.423 2.513 -11.808 1.00 0.00 C ATOM 838 CG ASN A 52 1.987 2.921 -11.456 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.570 4.021 -11.753 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.207 2.077 -10.826 1.00 0.00 N ATOM 0 H ASN A 52 5.494 1.367 -12.620 1.00 0.00 H new ATOM 0 HA ASN A 52 2.753 0.769 -12.884 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.877 1.983 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.029 3.400 -11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.253 2.346 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.554 1.151 -10.575 1.00 0.00 H new ATOM 847 N ILE A 53 3.750 3.221 -14.854 1.00 0.00 N ATOM 848 CA ILE A 53 3.305 4.013 -16.029 1.00 0.00 C ATOM 849 C ILE A 53 2.856 3.065 -17.143 1.00 0.00 C ATOM 850 O ILE A 53 1.814 3.243 -17.742 1.00 0.00 O ATOM 851 CB ILE A 53 4.468 4.871 -16.522 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.904 5.825 -15.408 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.020 5.677 -17.735 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.165 6.574 -15.843 1.00 0.00 C ATOM 0 H ILE A 53 4.723 3.358 -14.579 1.00 0.00 H new ATOM 0 HA ILE A 53 2.471 4.655 -15.747 1.00 0.00 H new ATOM 0 HB ILE A 53 5.305 4.230 -16.799 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.105 6.533 -15.188 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.097 5.267 -14.492 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.848 6.291 -18.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.706 4.998 -18.528 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.185 6.320 -17.456 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.476 7.254 -15.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.963 5.858 -16.041 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.956 7.144 -16.748 1.00 0.00 H new ATOM 866 N LYS A 54 3.633 2.052 -17.420 1.00 0.00 N ATOM 867 CA LYS A 54 3.251 1.087 -18.488 1.00 0.00 C ATOM 868 C LYS A 54 1.917 0.436 -18.121 1.00 0.00 C ATOM 869 O LYS A 54 1.084 0.180 -18.967 1.00 0.00 O ATOM 870 CB LYS A 54 4.328 0.007 -18.611 1.00 0.00 C ATOM 871 CG LYS A 54 4.004 -0.906 -19.795 1.00 0.00 C ATOM 872 CD LYS A 54 5.046 -2.023 -19.880 1.00 0.00 C ATOM 873 CE LYS A 54 4.814 -2.843 -21.150 1.00 0.00 C ATOM 874 NZ LYS A 54 6.041 -3.628 -21.466 1.00 0.00 N ATOM 0 H LYS A 54 4.517 1.852 -16.951 1.00 0.00 H new ATOM 0 HA LYS A 54 3.156 1.611 -19.439 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.306 0.468 -18.751 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.379 -0.577 -17.692 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.008 -1.332 -19.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.997 -0.330 -20.720 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.050 -1.598 -19.887 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.978 -2.666 -19.002 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.966 -3.514 -21.013 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.567 -2.183 -21.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.884 -4.186 -22.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.840 -2.979 -21.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.257 -4.268 -20.675 1.00 0.00 H new ATOM 888 N LYS A 55 1.712 0.173 -16.859 1.00 0.00 N ATOM 889 CA LYS A 55 0.436 -0.457 -16.417 1.00 0.00 C ATOM 890 C LYS A 55 -0.191 0.396 -15.317 1.00 0.00 C ATOM 891 O LYS A 55 0.357 0.543 -14.242 1.00 0.00 O ATOM 892 CB LYS A 55 0.730 -1.859 -15.874 1.00 0.00 C ATOM 893 CG LYS A 55 -0.573 -2.522 -15.423 1.00 0.00 C ATOM 894 CD LYS A 55 -0.269 -3.914 -14.863 1.00 0.00 C ATOM 895 CE LYS A 55 -1.580 -4.641 -14.564 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.105 -4.196 -13.242 1.00 0.00 N ATOM 0 H LYS A 55 2.378 0.369 -16.111 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.253 -0.529 -17.258 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.210 -2.464 -16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.426 -1.797 -15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.061 -1.911 -14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.264 -2.599 -16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.321 -4.485 -15.580 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.328 -3.830 -13.955 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.310 -4.433 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.417 -5.719 -14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.997 -4.691 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.410 -4.416 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.275 -3.170 -13.263 1.00 0.00 H new ATOM 910 N ASN A 56 -1.342 0.957 -15.570 1.00 0.00 N ATOM 911 CA ASN A 56 -2.001 1.796 -14.533 1.00 0.00 C ATOM 912 C ASN A 56 -3.073 0.968 -13.829 1.00 0.00 C ATOM 913 O ASN A 56 -3.803 0.223 -14.453 1.00 0.00 O ATOM 914 CB ASN A 56 -2.644 3.022 -15.184 1.00 0.00 C ATOM 915 CG ASN A 56 -2.886 4.092 -14.116 1.00 0.00 C ATOM 916 OD1 ASN A 56 -3.344 5.176 -14.420 1.00 0.00 O ATOM 917 ND2 ASN A 56 -2.594 3.832 -12.869 1.00 0.00 N ATOM 0 H ASN A 56 -1.853 0.870 -16.449 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.257 2.130 -13.809 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.996 3.414 -15.968 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.586 2.745 -15.658 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.750 4.539 -12.151 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.210 2.922 -12.614 1.00 0.00 H new ATOM 924 N VAL A 57 -3.162 1.078 -12.533 1.00 0.00 N ATOM 925 CA VAL A 57 -4.174 0.285 -11.783 1.00 0.00 C ATOM 926 C VAL A 57 -4.950 1.195 -10.832 1.00 0.00 C ATOM 927 O VAL A 57 -4.419 2.144 -10.288 1.00 0.00 O ATOM 928 CB VAL A 57 -3.461 -0.794 -10.974 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.565 -0.129 -9.928 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.498 -1.673 -10.273 1.00 0.00 C ATOM 0 H VAL A 57 -2.576 1.685 -11.960 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.869 -0.172 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.854 -1.410 -11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.053 -0.896 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.828 0.500 -10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.174 0.483 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.990 -2.444 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.104 -1.060 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.140 -2.142 -11.018 1.00 0.00 H new ATOM 940 N LEU A 58 -6.203 0.903 -10.614 1.00 0.00 N ATOM 941 CA LEU A 58 -7.014 1.737 -9.686 1.00 0.00 C ATOM 942 C LEU A 58 -6.679 1.334 -8.252 1.00 0.00 C ATOM 943 O LEU A 58 -6.662 0.166 -7.915 1.00 0.00 O ATOM 944 CB LEU A 58 -8.503 1.496 -9.955 1.00 0.00 C ATOM 945 CG LEU A 58 -9.353 2.321 -8.983 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.130 3.810 -9.240 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.830 1.987 -9.192 1.00 0.00 C ATOM 0 H LEU A 58 -6.700 0.121 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.791 2.793 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.744 1.768 -10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.734 0.437 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.064 2.083 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.736 4.394 -8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.077 4.051 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.417 4.050 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.437 2.573 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.115 2.224 -10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.993 0.925 -9.007 1.00 0.00 H new ATOM 959 N TRP A 59 -6.403 2.283 -7.403 1.00 0.00 N ATOM 960 CA TRP A 59 -6.062 1.931 -6.000 1.00 0.00 C ATOM 961 C TRP A 59 -7.315 1.992 -5.128 1.00 0.00 C ATOM 962 O TRP A 59 -7.999 2.996 -5.060 1.00 0.00 O ATOM 963 CB TRP A 59 -5.006 2.902 -5.468 1.00 0.00 C ATOM 964 CG TRP A 59 -3.700 2.609 -6.135 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.080 3.419 -7.022 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.853 1.436 -5.991 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.905 2.814 -7.432 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.721 1.590 -6.824 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.957 0.261 -5.225 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.727 0.614 -6.897 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.957 -0.722 -5.294 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.844 -0.546 -6.129 1.00 0.00 C ATOM 0 H TRP A 59 -6.399 3.280 -7.619 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.662 0.917 -5.972 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.307 3.931 -5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.909 2.799 -4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.442 4.380 -7.356 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.254 3.223 -8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.811 0.114 -4.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.127 0.755 -7.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.045 -1.620 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.079 -1.307 -6.178 1.00 0.00 H new ATOM 983 N ASP A 60 -7.606 0.912 -4.462 1.00 0.00 N ATOM 984 CA ASP A 60 -8.800 0.853 -3.577 1.00 0.00 C ATOM 985 C ASP A 60 -8.542 -0.192 -2.490 1.00 0.00 C ATOM 986 O ASP A 60 -7.586 -0.939 -2.558 1.00 0.00 O ATOM 987 CB ASP A 60 -10.030 0.450 -4.396 1.00 0.00 C ATOM 988 CG ASP A 60 -11.291 0.643 -3.553 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.170 1.155 -2.452 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.355 0.277 -4.022 1.00 0.00 O ATOM 0 H ASP A 60 -7.057 0.053 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.981 1.829 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.090 1.053 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.946 -0.590 -4.710 1.00 0.00 H new ATOM 995 N GLU A 61 -9.368 -0.255 -1.486 1.00 0.00 N ATOM 996 CA GLU A 61 -9.134 -1.255 -0.408 1.00 0.00 C ATOM 997 C GLU A 61 -9.054 -2.657 -1.018 1.00 0.00 C ATOM 998 O GLU A 61 -8.239 -3.468 -0.626 1.00 0.00 O ATOM 999 CB GLU A 61 -10.292 -1.202 0.589 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.339 0.180 1.241 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.463 0.216 2.277 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.214 -0.743 2.342 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.554 1.202 2.988 1.00 0.00 O ATOM 0 H GLU A 61 -10.189 0.337 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.198 -1.028 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.234 -1.408 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.166 -1.971 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.384 0.402 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.503 0.946 0.483 1.00 0.00 H new ATOM 1010 N ASN A 62 -9.888 -2.946 -1.979 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.854 -4.293 -2.615 1.00 0.00 C ATOM 1012 C ASN A 62 -8.581 -4.455 -3.450 1.00 0.00 C ATOM 1013 O ASN A 62 -7.883 -5.446 -3.358 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.071 -4.447 -3.528 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.031 -5.819 -4.200 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.473 -6.800 -3.636 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.507 -5.930 -5.391 1.00 0.00 N ATOM 0 H ASN A 62 -10.591 -2.308 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.868 -5.054 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.989 -4.340 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.075 -3.660 -4.282 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.469 -6.841 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.136 -5.106 -5.864 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.284 -3.493 -4.280 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.071 -3.594 -5.140 1.00 0.00 C ATOM 1026 C ASN A 63 -5.813 -3.711 -4.281 1.00 0.00 C ATOM 1027 O ASN A 63 -4.915 -4.472 -4.586 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.976 -2.350 -6.024 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.906 -2.564 -7.095 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -6.044 -3.423 -7.944 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.837 -1.817 -7.091 1.00 0.00 N ATOM 0 H ASN A 63 -8.830 -2.640 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.150 -4.486 -5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.940 -2.150 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.729 -1.478 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.117 -1.954 -7.800 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.721 -1.096 -6.379 1.00 0.00 H new ATOM 1038 N MET A 64 -5.729 -2.967 -3.215 1.00 0.00 N ATOM 1039 CA MET A 64 -4.513 -3.050 -2.356 1.00 0.00 C ATOM 1040 C MET A 64 -4.370 -4.466 -1.800 1.00 0.00 C ATOM 1041 O MET A 64 -3.281 -4.988 -1.689 1.00 0.00 O ATOM 1042 CB MET A 64 -4.622 -2.056 -1.199 1.00 0.00 C ATOM 1043 CG MET A 64 -4.508 -0.633 -1.743 1.00 0.00 C ATOM 1044 SD MET A 64 -4.390 0.533 -0.366 1.00 0.00 S ATOM 1045 CE MET A 64 -4.364 2.044 -1.360 1.00 0.00 C ATOM 0 H MET A 64 -6.443 -2.309 -2.902 1.00 0.00 H new ATOM 0 HA MET A 64 -3.637 -2.806 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.573 -2.185 -0.682 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.835 -2.243 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.630 -0.546 -2.383 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.376 -0.398 -2.359 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.963 2.864 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.736 1.891 -2.238 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.378 2.288 -1.677 1.00 0.00 H new ATOM 1055 N SER A 65 -5.453 -5.096 -1.450 1.00 0.00 N ATOM 1056 CA SER A 65 -5.347 -6.476 -0.900 1.00 0.00 C ATOM 1057 C SER A 65 -4.603 -7.356 -1.906 1.00 0.00 C ATOM 1058 O SER A 65 -3.757 -8.148 -1.546 1.00 0.00 O ATOM 1059 CB SER A 65 -6.748 -7.039 -0.658 1.00 0.00 C ATOM 1060 OG SER A 65 -7.448 -6.182 0.235 1.00 0.00 O ATOM 0 H SER A 65 -6.399 -4.721 -1.519 1.00 0.00 H new ATOM 0 HA SER A 65 -4.803 -6.458 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.288 -7.121 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.682 -8.044 -0.240 1.00 0.00 H new ATOM 0 HG SER A 65 -7.713 -5.365 -0.236 1.00 0.00 H new ATOM 1066 N GLU A 66 -4.904 -7.215 -3.166 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.200 -8.037 -4.191 1.00 0.00 C ATOM 1068 C GLU A 66 -2.742 -7.579 -4.299 1.00 0.00 C ATOM 1069 O GLU A 66 -1.842 -8.372 -4.498 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.891 -7.864 -5.545 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.258 -8.811 -6.567 1.00 0.00 C ATOM 1072 CD GLU A 66 -4.878 -8.567 -7.943 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.720 -7.690 -8.044 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.501 -9.260 -8.872 1.00 0.00 O ATOM 0 H GLU A 66 -5.604 -6.569 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.230 -9.087 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.956 -8.074 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.798 -6.832 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.181 -8.650 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.415 -9.846 -6.265 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.504 -6.299 -4.182 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.112 -5.776 -4.291 1.00 0.00 C ATOM 1083 C HIS A 67 -0.247 -6.343 -3.164 1.00 0.00 C ATOM 1084 O HIS A 67 0.846 -6.821 -3.390 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.151 -4.251 -4.188 1.00 0.00 C ATOM 1086 CG HIS A 67 0.187 -3.679 -4.567 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.651 -3.695 -5.875 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.166 -3.060 -3.830 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.859 -3.102 -5.884 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.216 -2.698 -4.664 1.00 0.00 N ATOM 0 H HIS A 67 -3.218 -5.590 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.683 -6.077 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.925 -3.853 -4.844 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.409 -3.953 -3.172 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.165 -4.085 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.126 -2.882 -2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.464 -2.970 -6.769 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.726 -6.295 -1.955 1.00 0.00 N ATOM 1100 CA LEU A 68 0.067 -6.829 -0.811 1.00 0.00 C ATOM 1101 C LEU A 68 0.311 -8.323 -1.001 1.00 0.00 C ATOM 1102 O LEU A 68 1.281 -8.865 -0.510 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.686 -6.580 0.497 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.343 -5.184 1.030 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.492 -4.148 -0.087 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.291 -4.828 2.175 1.00 0.00 C ATOM 0 H LEU A 68 -1.636 -5.908 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 68 1.029 -6.319 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.760 -6.663 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.417 -7.338 1.233 1.00 0.00 H new ATOM 0 HG LEU A 68 0.686 -5.183 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.247 -3.159 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.184 -4.396 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.519 -4.151 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.047 -3.836 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.319 -4.835 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.184 -5.559 2.977 1.00 0.00 H new ATOM 1118 N THR A 69 -0.551 -9.001 -1.706 1.00 0.00 N ATOM 1119 CA THR A 69 -0.337 -10.458 -1.921 1.00 0.00 C ATOM 1120 C THR A 69 0.598 -10.652 -3.118 1.00 0.00 C ATOM 1121 O THR A 69 0.351 -10.146 -4.196 1.00 0.00 O ATOM 1122 CB THR A 69 -1.680 -11.137 -2.205 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.596 -10.819 -1.168 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.483 -12.652 -2.268 1.00 0.00 C ATOM 0 H THR A 69 -1.388 -8.612 -2.140 1.00 0.00 H new ATOM 0 HA THR A 69 0.107 -10.901 -1.030 1.00 0.00 H new ATOM 0 HB THR A 69 -2.073 -10.784 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.976 -9.930 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.439 -13.135 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.778 -12.895 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.091 -13.008 -1.315 1.00 0.00 H new ATOM 1132 N ASN A 70 1.667 -11.379 -2.938 1.00 0.00 N ATOM 1133 CA ASN A 70 2.621 -11.608 -4.063 1.00 0.00 C ATOM 1134 C ASN A 70 2.799 -10.310 -4.863 1.00 0.00 C ATOM 1135 O ASN A 70 2.513 -10.258 -6.044 1.00 0.00 O ATOM 1136 CB ASN A 70 2.066 -12.698 -4.983 1.00 0.00 C ATOM 1137 CG ASN A 70 1.957 -14.012 -4.208 1.00 0.00 C ATOM 1138 OD1 ASN A 70 1.147 -14.137 -3.311 1.00 0.00 O ATOM 1139 ND2 ASN A 70 2.742 -15.007 -4.520 1.00 0.00 N ATOM 0 H ASN A 70 1.922 -11.826 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 70 3.585 -11.920 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.087 -12.405 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.718 -12.826 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.675 -15.888 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.422 -14.903 -5.273 1.00 0.00 H new ATOM 1146 N PRO A 71 3.265 -9.269 -4.223 1.00 0.00 N ATOM 1147 CA PRO A 71 3.482 -7.942 -4.877 1.00 0.00 C ATOM 1148 C PRO A 71 4.556 -7.984 -5.969 1.00 0.00 C ATOM 1149 O PRO A 71 4.583 -7.150 -6.853 1.00 0.00 O ATOM 1150 CB PRO A 71 3.933 -7.030 -3.732 1.00 0.00 C ATOM 1151 CG PRO A 71 4.433 -7.945 -2.667 1.00 0.00 C ATOM 1152 CD PRO A 71 3.638 -9.240 -2.802 1.00 0.00 C ATOM 0 HA PRO A 71 2.577 -7.602 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.715 -6.346 -4.060 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.107 -6.419 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.501 -8.131 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.293 -7.505 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.236 -10.108 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.760 -9.240 -2.157 1.00 0.00 H new ATOM 1160 N ALA A 72 5.447 -8.936 -5.914 1.00 0.00 N ATOM 1161 CA ALA A 72 6.513 -9.003 -6.952 1.00 0.00 C ATOM 1162 C ALA A 72 5.872 -9.109 -8.335 1.00 0.00 C ATOM 1163 O ALA A 72 6.227 -8.395 -9.250 1.00 0.00 O ATOM 1164 CB ALA A 72 7.391 -10.232 -6.702 1.00 0.00 C ATOM 0 H ALA A 72 5.483 -9.665 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 72 7.125 -8.102 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.172 -10.282 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.849 -10.158 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.779 -11.133 -6.751 1.00 0.00 H new ATOM 1170 N LYS A 73 4.921 -9.987 -8.492 1.00 0.00 N ATOM 1171 CA LYS A 73 4.248 -10.130 -9.813 1.00 0.00 C ATOM 1172 C LYS A 73 3.536 -8.822 -10.164 1.00 0.00 C ATOM 1173 O LYS A 73 3.417 -8.456 -11.317 1.00 0.00 O ATOM 1174 CB LYS A 73 3.225 -11.266 -9.745 1.00 0.00 C ATOM 1175 CG LYS A 73 3.950 -12.591 -9.499 1.00 0.00 C ATOM 1176 CD LYS A 73 2.941 -13.741 -9.546 1.00 0.00 C ATOM 1177 CE LYS A 73 3.644 -15.051 -9.181 1.00 0.00 C ATOM 1178 NZ LYS A 73 4.847 -15.225 -10.043 1.00 0.00 N ATOM 0 H LYS A 73 4.580 -10.612 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 73 4.991 -10.357 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.509 -11.077 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.659 -11.316 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.723 -12.740 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.449 -12.570 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.122 -13.549 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.504 -13.815 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.934 -15.040 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.963 -15.891 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.127 -16.226 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.626 -14.921 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.628 -14.649 -9.669 1.00 0.00 H new ATOM 1192 N TYR A 74 3.049 -8.124 -9.176 1.00 0.00 N ATOM 1193 CA TYR A 74 2.330 -6.845 -9.439 1.00 0.00 C ATOM 1194 C TYR A 74 3.244 -5.887 -10.210 1.00 0.00 C ATOM 1195 O TYR A 74 2.901 -5.413 -11.275 1.00 0.00 O ATOM 1196 CB TYR A 74 1.948 -6.218 -8.098 1.00 0.00 C ATOM 1197 CG TYR A 74 0.838 -5.209 -8.281 1.00 0.00 C ATOM 1198 CD1 TYR A 74 1.112 -3.944 -8.813 1.00 0.00 C ATOM 1199 CD2 TYR A 74 -0.468 -5.531 -7.887 1.00 0.00 C ATOM 1200 CE1 TYR A 74 0.088 -3.004 -8.950 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -1.494 -4.592 -8.030 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.214 -3.327 -8.560 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.220 -2.394 -8.685 1.00 0.00 O ATOM 0 H TYR A 74 3.118 -8.386 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 74 1.436 -7.036 -10.033 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.629 -6.996 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.818 -5.733 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.117 -3.694 -9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.682 -6.505 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.303 -2.027 -9.358 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.501 -4.842 -7.732 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.162 -1.749 -7.949 1.00 0.00 H new ATOM 1213 N ILE A 75 4.411 -5.602 -9.686 1.00 0.00 N ATOM 1214 CA ILE A 75 5.347 -4.676 -10.397 1.00 0.00 C ATOM 1215 C ILE A 75 6.787 -5.170 -10.235 1.00 0.00 C ATOM 1216 O ILE A 75 7.566 -4.598 -9.498 1.00 0.00 O ATOM 1217 CB ILE A 75 5.241 -3.271 -9.803 1.00 0.00 C ATOM 1218 CG1 ILE A 75 5.045 -3.373 -8.288 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.063 -2.520 -10.437 1.00 0.00 C ATOM 1220 CD1 ILE A 75 5.063 -1.972 -7.677 1.00 0.00 C ATOM 0 H ILE A 75 4.755 -5.969 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 75 5.079 -4.651 -11.453 1.00 0.00 H new ATOM 0 HB ILE A 75 6.158 -2.721 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.099 -3.866 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.834 -3.983 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.995 -1.520 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.217 -2.443 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.138 -3.062 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.923 -2.044 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.020 -1.495 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.258 -1.377 -8.108 1.00 0.00 H new ATOM 1232 N PRO A 76 7.134 -6.217 -10.924 1.00 0.00 N ATOM 1233 CA PRO A 76 8.506 -6.799 -10.867 1.00 0.00 C ATOM 1234 C PRO A 76 9.573 -5.803 -11.333 1.00 0.00 C ATOM 1235 O PRO A 76 10.681 -5.782 -10.835 1.00 0.00 O ATOM 1236 CB PRO A 76 8.451 -7.998 -11.824 1.00 0.00 C ATOM 1237 CG PRO A 76 7.001 -8.263 -12.085 1.00 0.00 C ATOM 1238 CD PRO A 76 6.254 -6.955 -11.829 1.00 0.00 C ATOM 0 HA PRO A 76 8.780 -7.072 -9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.979 -7.779 -12.752 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.932 -8.870 -11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.849 -8.599 -13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.630 -9.053 -11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.082 -6.406 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.278 -7.134 -11.379 1.00 0.00 H new ATOM 1246 N GLY A 77 9.246 -4.985 -12.294 1.00 0.00 N ATOM 1247 CA GLY A 77 10.230 -3.991 -12.812 1.00 0.00 C ATOM 1248 C GLY A 77 10.593 -2.973 -11.725 1.00 0.00 C ATOM 1249 O GLY A 77 11.678 -2.430 -11.712 1.00 0.00 O ATOM 0 H GLY A 77 8.332 -4.962 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.129 -4.505 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.812 -3.475 -13.676 1.00 0.00 H new ATOM 1253 N THR A 78 9.690 -2.696 -10.825 1.00 0.00 N ATOM 1254 CA THR A 78 9.990 -1.695 -9.760 1.00 0.00 C ATOM 1255 C THR A 78 10.921 -2.296 -8.707 1.00 0.00 C ATOM 1256 O THR A 78 11.023 -3.498 -8.557 1.00 0.00 O ATOM 1257 CB THR A 78 8.688 -1.254 -9.090 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.086 -2.370 -8.449 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.738 -0.687 -10.142 1.00 0.00 C ATOM 0 H THR A 78 8.762 -3.116 -10.780 1.00 0.00 H new ATOM 0 HA THR A 78 10.481 -0.836 -10.218 1.00 0.00 H new ATOM 0 HB THR A 78 8.901 -0.484 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.321 -3.190 -8.931 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.810 -0.373 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.204 0.170 -10.628 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.521 -1.453 -10.887 1.00 0.00 H new ATOM 1267 N LYS A 79 11.599 -1.454 -7.975 1.00 0.00 N ATOM 1268 CA LYS A 79 12.529 -1.945 -6.921 1.00 0.00 C ATOM 1269 C LYS A 79 11.749 -2.211 -5.631 1.00 0.00 C ATOM 1270 O LYS A 79 12.316 -2.552 -4.610 1.00 0.00 O ATOM 1271 CB LYS A 79 13.605 -0.886 -6.668 1.00 0.00 C ATOM 1272 CG LYS A 79 12.953 0.391 -6.131 1.00 0.00 C ATOM 1273 CD LYS A 79 14.002 1.503 -6.046 1.00 0.00 C ATOM 1274 CE LYS A 79 13.411 2.713 -5.318 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.199 2.981 -4.081 1.00 0.00 N ATOM 0 H LYS A 79 11.547 -0.439 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 79 13.000 -2.872 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.337 -1.261 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.142 -0.671 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.135 0.697 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.523 0.206 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.885 1.144 -5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.324 1.790 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.428 3.587 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.368 2.525 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.984 3.937 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.949 2.283 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.214 2.910 -4.294 1.00 0.00 H new ATOM 1289 N MET A 80 10.453 -2.056 -5.666 1.00 0.00 N ATOM 1290 CA MET A 80 9.640 -2.297 -4.440 1.00 0.00 C ATOM 1291 C MET A 80 9.482 -3.800 -4.213 1.00 0.00 C ATOM 1292 O MET A 80 9.113 -4.540 -5.105 1.00 0.00 O ATOM 1293 CB MET A 80 8.259 -1.660 -4.606 1.00 0.00 C ATOM 1294 CG MET A 80 7.435 -1.904 -3.341 1.00 0.00 C ATOM 1295 SD MET A 80 5.851 -1.035 -3.466 1.00 0.00 S ATOM 1296 CE MET A 80 4.781 -2.451 -3.103 1.00 0.00 C ATOM 0 H MET A 80 9.923 -1.773 -6.490 1.00 0.00 H new ATOM 0 HA MET A 80 10.145 -1.853 -3.582 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.359 -0.590 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.752 -2.085 -5.472 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.265 -2.972 -3.207 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.983 -1.556 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.797 -2.095 -2.797 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.681 -3.070 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.220 -3.042 -2.299 1.00 0.00 H new ATOM 1306 N ALA A 81 9.759 -4.260 -3.022 1.00 0.00 N ATOM 1307 CA ALA A 81 9.623 -5.715 -2.736 1.00 0.00 C ATOM 1308 C ALA A 81 9.022 -5.911 -1.342 1.00 0.00 C ATOM 1309 O ALA A 81 9.724 -5.944 -0.349 1.00 0.00 O ATOM 1310 CB ALA A 81 10.999 -6.378 -2.793 1.00 0.00 C ATOM 0 H ALA A 81 10.073 -3.690 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 81 8.969 -6.169 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.899 -7.443 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.427 -6.242 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.654 -5.922 -2.050 1.00 0.00 H new ATOM 1316 N PHE A 82 7.729 -6.048 -1.263 1.00 0.00 N ATOM 1317 CA PHE A 82 7.074 -6.249 0.059 1.00 0.00 C ATOM 1318 C PHE A 82 6.728 -7.730 0.230 1.00 0.00 C ATOM 1319 O PHE A 82 6.158 -8.348 -0.643 1.00 0.00 O ATOM 1320 CB PHE A 82 5.797 -5.409 0.129 1.00 0.00 C ATOM 1321 CG PHE A 82 5.100 -5.643 1.447 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.460 -4.895 2.575 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.088 -6.605 1.540 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.809 -5.112 3.796 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.437 -6.822 2.759 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.795 -6.076 3.889 1.00 0.00 C ATOM 0 H PHE A 82 7.094 -6.029 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 82 7.751 -5.940 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.040 -4.352 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.133 -5.671 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.240 -4.151 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.809 -7.181 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.088 -4.537 4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.657 -7.566 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.291 -6.243 4.830 1.00 0.00 H new ATOM 1336 N GLY A 83 7.073 -8.306 1.347 1.00 0.00 N ATOM 1337 CA GLY A 83 6.768 -9.750 1.562 1.00 0.00 C ATOM 1338 C GLY A 83 5.253 -9.959 1.576 1.00 0.00 C ATOM 1339 O GLY A 83 4.528 -9.264 2.262 1.00 0.00 O ATOM 0 H GLY A 83 7.552 -7.842 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.220 -10.349 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.200 -10.087 2.504 1.00 0.00 H new ATOM 1343 N GLY A 84 4.770 -10.914 0.831 1.00 0.00 N ATOM 1344 CA GLY A 84 3.301 -11.172 0.809 1.00 0.00 C ATOM 1345 C GLY A 84 2.881 -11.769 2.153 1.00 0.00 C ATOM 1346 O GLY A 84 3.623 -12.507 2.771 1.00 0.00 O ATOM 0 H GLY A 84 5.328 -11.527 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.759 -10.245 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.051 -11.856 -0.002 1.00 0.00 H new ATOM 1350 N LEU A 85 1.702 -11.459 2.618 1.00 0.00 N ATOM 1351 CA LEU A 85 1.254 -12.013 3.927 1.00 0.00 C ATOM 1352 C LEU A 85 0.432 -13.282 3.691 1.00 0.00 C ATOM 1353 O LEU A 85 -0.538 -13.280 2.959 1.00 0.00 O ATOM 1354 CB LEU A 85 0.398 -10.972 4.652 1.00 0.00 C ATOM 1355 CG LEU A 85 1.181 -9.662 4.768 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.368 -8.647 5.574 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.511 -9.923 5.478 1.00 0.00 C ATOM 0 H LEU A 85 1.032 -10.849 2.150 1.00 0.00 H new ATOM 0 HA LEU A 85 2.124 -12.256 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.531 -10.806 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.126 -11.335 5.643 1.00 0.00 H new ATOM 0 HG LEU A 85 1.370 -9.266 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.927 -7.715 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.580 -8.458 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.177 -9.044 6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.069 -8.990 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.319 -10.321 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.094 -10.644 4.905 1.00 0.00 H new ATOM 1369 N LYS A 86 0.816 -14.367 4.306 1.00 0.00 N ATOM 1370 CA LYS A 86 0.068 -15.642 4.122 1.00 0.00 C ATOM 1371 C LYS A 86 -1.353 -15.509 4.681 1.00 0.00 C ATOM 1372 O LYS A 86 -2.295 -16.039 4.130 1.00 0.00 O ATOM 1373 CB LYS A 86 0.798 -16.770 4.854 1.00 0.00 C ATOM 1374 CG LYS A 86 2.188 -16.959 4.241 1.00 0.00 C ATOM 1375 CD LYS A 86 2.826 -18.233 4.799 1.00 0.00 C ATOM 1376 CE LYS A 86 3.046 -18.085 6.308 1.00 0.00 C ATOM 1377 NZ LYS A 86 3.589 -16.728 6.603 1.00 0.00 N ATOM 0 H LYS A 86 1.620 -14.425 4.931 1.00 0.00 H new ATOM 0 HA LYS A 86 0.011 -15.868 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.885 -16.533 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.227 -17.696 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.112 -17.024 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.816 -16.097 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.184 -19.090 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.777 -18.423 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.106 -18.235 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.738 -18.849 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.093 -16.746 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.247 -16.446 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.807 -16.045 6.654 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.512 -14.821 5.780 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.873 -14.678 6.370 1.00 0.00 C ATOM 1393 C LYS A 87 -3.587 -13.479 5.743 1.00 0.00 C ATOM 1394 O LYS A 87 -3.137 -12.353 5.839 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.749 -14.472 7.882 1.00 0.00 C ATOM 1396 CG LYS A 87 -4.123 -14.636 8.536 1.00 0.00 C ATOM 1397 CD LYS A 87 -4.001 -14.401 10.043 1.00 0.00 C ATOM 1398 CE LYS A 87 -5.305 -14.805 10.731 1.00 0.00 C ATOM 1399 NZ LYS A 87 -5.561 -13.898 11.886 1.00 0.00 N ATOM 0 H LYS A 87 -0.763 -14.355 6.292 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.452 -15.580 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.047 -15.193 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.351 -13.480 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.831 -13.929 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.513 -15.636 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.170 -14.981 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.783 -13.352 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.133 -14.753 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.243 -15.838 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.481 -14.130 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.810 -14.019 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.571 -12.911 11.557 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.699 -13.714 5.103 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.451 -12.596 4.465 1.00 0.00 C ATOM 1415 C GLU A 88 -6.052 -11.686 5.541 1.00 0.00 C ATOM 1416 O GLU A 88 -6.186 -10.493 5.351 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.576 -13.169 3.599 1.00 0.00 C ATOM 1418 CG GLU A 88 -5.972 -13.971 2.445 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.093 -14.489 1.543 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.244 -14.361 1.928 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -6.782 -15.006 0.482 1.00 0.00 O ATOM 0 H GLU A 88 -5.121 -14.636 4.994 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.768 -12.014 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.223 -13.807 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.197 -12.362 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.289 -13.345 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.389 -14.806 2.834 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.431 -12.237 6.662 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.040 -11.399 7.736 1.00 0.00 C ATOM 1430 C LYS A 89 -6.076 -10.279 8.122 1.00 0.00 C ATOM 1431 O LYS A 89 -6.436 -9.118 8.151 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.307 -12.267 8.964 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.147 -11.481 9.974 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.365 -12.328 11.229 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.342 -11.614 12.163 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.458 -10.183 11.761 1.00 0.00 N ATOM 0 H LYS A 89 -6.346 -13.230 6.881 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.974 -10.971 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.829 -13.178 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.364 -12.572 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.644 -10.550 10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.107 -11.212 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.757 -13.308 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.415 -12.495 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.319 -12.095 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.995 -11.686 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.402 -9.827 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.733 -9.624 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.320 -10.099 10.734 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.854 -10.618 8.415 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.866 -9.575 8.795 1.00 0.00 C ATOM 1452 C ASP A 90 -3.698 -8.592 7.636 1.00 0.00 C ATOM 1453 O ASP A 90 -3.556 -7.401 7.830 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.524 -10.241 9.101 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.651 -11.091 10.367 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.651 -10.951 11.051 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.746 -11.866 10.629 1.00 0.00 O ATOM 0 H ASP A 90 -4.497 -11.573 8.408 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.216 -9.039 9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.216 -10.864 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.752 -9.483 9.235 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.713 -9.086 6.430 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.553 -8.191 5.250 1.00 0.00 C ATOM 1464 C ARG A 91 -4.651 -7.126 5.256 1.00 0.00 C ATOM 1465 O ARG A 91 -4.409 -5.968 4.979 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.663 -9.024 3.973 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.364 -8.146 2.759 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.543 -8.972 1.484 1.00 0.00 C ATOM 1469 NE ARG A 91 -4.994 -9.240 1.270 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.379 -10.317 0.639 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.496 -11.163 0.184 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -6.652 -10.548 0.462 1.00 0.00 N ATOM 0 H ARG A 91 -3.830 -10.075 6.210 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.579 -7.703 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.964 -9.859 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.663 -9.449 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.032 -7.284 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.346 -7.760 2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.130 -8.436 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.996 -9.911 1.566 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.689 -8.579 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.501 -10.985 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.801 -12.003 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.344 -9.888 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.954 -11.389 -0.031 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.862 -7.507 5.565 1.00 0.00 N ATOM 1487 CA ASN A 92 -6.973 -6.519 5.582 1.00 0.00 C ATOM 1488 C ASN A 92 -6.677 -5.417 6.602 1.00 0.00 C ATOM 1489 O ASN A 92 -6.964 -4.258 6.376 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.270 -7.229 5.966 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.689 -8.181 4.844 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.780 -9.375 5.047 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -8.954 -7.697 3.661 1.00 0.00 N ATOM 0 H ASN A 92 -6.127 -8.462 5.806 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.073 -6.072 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.131 -7.784 6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.057 -6.497 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.238 -8.322 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.877 -6.694 3.491 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.115 -5.767 7.726 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.815 -4.741 8.757 1.00 0.00 C ATOM 1502 C ASP A 93 -4.803 -3.733 8.211 1.00 0.00 C ATOM 1503 O ASP A 93 -4.905 -2.546 8.451 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.234 -5.433 9.990 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.297 -6.341 10.614 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.454 -6.200 10.255 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.934 -7.162 11.442 1.00 0.00 O ATOM 0 H ASP A 93 -5.851 -6.721 7.973 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.731 -4.213 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.358 -6.019 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.904 -4.690 10.716 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.812 -4.192 7.491 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.788 -3.251 6.954 1.00 0.00 C ATOM 1514 C LEU A 94 -3.461 -2.190 6.082 1.00 0.00 C ATOM 1515 O LEU A 94 -3.176 -1.014 6.192 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.772 -4.033 6.118 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.567 -3.136 5.797 1.00 0.00 C ATOM 1518 CD1 LEU A 94 0.597 -3.994 5.304 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.932 -2.113 4.713 1.00 0.00 C ATOM 0 H LEU A 94 -3.669 -5.174 7.253 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.280 -2.759 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.444 -4.919 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.236 -4.380 5.195 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.279 -2.606 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.450 -3.354 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.875 -4.709 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.297 -4.532 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.067 -1.486 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.235 -2.636 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.754 -1.489 5.064 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.361 -2.585 5.222 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.045 -1.581 4.361 1.00 0.00 C ATOM 1533 C ILE A 95 -5.844 -0.633 5.255 1.00 0.00 C ATOM 1534 O ILE A 95 -5.878 0.563 5.040 1.00 0.00 O ATOM 1535 CB ILE A 95 -5.985 -2.290 3.387 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.191 -3.313 2.568 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.611 -1.263 2.440 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.149 -4.144 1.712 1.00 0.00 C ATOM 0 H ILE A 95 -4.650 -3.553 5.080 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.307 -1.018 3.789 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.771 -2.797 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.469 -2.802 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.624 -3.964 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.281 -1.770 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.174 -0.530 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.824 -0.757 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.581 -4.870 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.853 -4.668 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.696 -3.487 1.036 1.00 0.00 H new ATOM 1550 N THR A 96 -6.481 -1.162 6.261 1.00 0.00 N ATOM 1551 CA THR A 96 -7.276 -0.310 7.184 1.00 0.00 C ATOM 1552 C THR A 96 -6.364 0.745 7.818 1.00 0.00 C ATOM 1553 O THR A 96 -6.751 1.882 7.996 1.00 0.00 O ATOM 1554 CB THR A 96 -7.889 -1.185 8.280 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.591 -2.265 7.682 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.857 -0.351 9.121 1.00 0.00 C ATOM 0 H THR A 96 -6.484 -2.157 6.484 1.00 0.00 H new ATOM 0 HA THR A 96 -8.071 0.187 6.629 1.00 0.00 H new ATOM 0 HB THR A 96 -7.097 -1.573 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.437 -2.407 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.293 -0.976 9.901 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.319 0.479 9.579 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.650 0.039 8.483 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.157 0.386 8.162 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.244 1.390 8.777 1.00 0.00 C ATOM 1566 C TYR A 97 -4.082 2.562 7.810 1.00 0.00 C ATOM 1567 O TYR A 97 -4.256 3.710 8.173 1.00 0.00 O ATOM 1568 CB TYR A 97 -2.882 0.749 9.055 1.00 0.00 C ATOM 1569 CG TYR A 97 -1.988 1.751 9.745 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.081 1.936 11.130 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.063 2.492 9.000 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.251 2.865 11.768 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.233 3.420 9.638 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.326 3.607 11.024 1.00 0.00 C ATOM 1575 OH TYR A 97 0.493 4.521 11.652 1.00 0.00 O ATOM 0 H TYR A 97 -4.767 -0.549 8.045 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.662 1.745 9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.005 -0.136 9.679 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.425 0.420 8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.793 1.362 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.990 2.347 7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.324 3.010 12.836 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.479 3.992 9.063 1.00 0.00 H new ATOM 0 HH TYR A 97 1.075 4.948 10.989 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.780 2.283 6.570 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.646 3.384 5.579 1.00 0.00 C ATOM 1587 C LEU A 98 -5.019 4.013 5.370 1.00 0.00 C ATOM 1588 O LEU A 98 -5.148 5.200 5.139 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.129 2.830 4.252 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.715 2.280 4.437 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.222 1.693 3.113 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.785 3.417 4.863 1.00 0.00 C ATOM 0 H LEU A 98 -3.621 1.344 6.204 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.941 4.130 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.792 2.042 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.128 3.615 3.495 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.721 1.503 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.214 1.300 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.888 0.888 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.213 2.472 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.225 3.030 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.779 4.190 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.137 3.843 5.802 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.049 3.218 5.452 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.423 3.751 5.262 1.00 0.00 C ATOM 1606 C LYS A 99 -7.658 4.882 6.265 1.00 0.00 C ATOM 1607 O LYS A 99 -8.214 5.912 5.940 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.434 2.631 5.524 1.00 0.00 C ATOM 1609 CG LYS A 99 -9.828 3.083 5.097 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.858 2.038 5.531 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.252 2.476 5.080 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.907 3.250 6.172 1.00 0.00 N ATOM 0 H LYS A 99 -5.996 2.218 5.643 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.541 4.125 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.148 1.734 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.435 2.369 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.062 4.048 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.863 3.217 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.612 1.068 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.836 1.918 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.180 3.087 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.854 1.604 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.855 3.548 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.989 2.653 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.335 4.090 6.394 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.232 4.697 7.485 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.420 5.754 8.516 1.00 0.00 C ATOM 1628 C LYS A 100 -6.696 7.026 8.079 1.00 0.00 C ATOM 1629 O LYS A 100 -7.187 8.124 8.249 1.00 0.00 O ATOM 1630 CB LYS A 100 -6.831 5.271 9.839 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.100 6.305 10.930 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.403 5.868 12.217 1.00 0.00 C ATOM 1633 CE LYS A 100 -6.831 6.778 13.368 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.067 6.237 13.998 1.00 0.00 N ATOM 0 H LYS A 100 -6.760 3.854 7.812 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.483 5.963 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.271 4.313 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.758 5.110 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.735 7.284 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.172 6.404 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.656 4.833 12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.321 5.911 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.033 6.846 14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.010 7.788 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.357 6.857 14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.827 6.194 13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.881 5.281 14.364 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.529 6.881 7.521 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.759 8.076 7.074 1.00 0.00 C ATOM 1650 C ALA A 101 -5.586 8.871 6.061 1.00 0.00 C ATOM 1651 O ALA A 101 -5.474 10.078 5.969 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.451 7.625 6.422 1.00 0.00 C ATOM 0 H ALA A 101 -5.072 5.984 7.354 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.538 8.707 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.887 8.499 6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.860 7.061 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.672 6.993 5.562 1.00 0.00 H new ATOM 1658 N THR A 102 -6.414 8.210 5.300 1.00 0.00 N ATOM 1659 CA THR A 102 -7.241 8.937 4.295 1.00 0.00 C ATOM 1660 C THR A 102 -8.248 9.835 5.018 1.00 0.00 C ATOM 1661 O THR A 102 -8.686 10.839 4.493 1.00 0.00 O ATOM 1662 CB THR A 102 -7.995 7.928 3.425 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.960 7.248 4.217 1.00 0.00 O ATOM 1664 CG2 THR A 102 -7.010 6.917 2.840 1.00 0.00 C ATOM 0 H THR A 102 -6.554 7.200 5.330 1.00 0.00 H new ATOM 0 HA THR A 102 -6.593 9.547 3.666 1.00 0.00 H new ATOM 0 HB THR A 102 -8.496 8.454 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.537 6.487 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.549 6.200 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.272 7.439 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.505 6.390 3.650 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.618 9.482 6.218 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.596 10.315 6.971 1.00 0.00 C ATOM 1674 C GLU A 103 -8.843 11.290 7.878 1.00 0.00 C ATOM 1675 O GLU A 103 -8.435 12.355 7.458 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.488 9.410 7.825 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.583 10.251 8.485 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.414 9.364 9.415 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -12.099 8.191 9.521 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -13.350 9.875 10.007 1.00 0.00 O ATOM 0 H GLU A 103 -8.285 8.652 6.709 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.213 10.874 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.935 8.633 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.892 8.907 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.137 11.071 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.222 10.698 7.724 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.563 1.010 -2.190 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.869 2.729 -5.022 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.274 0.320 -1.806 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.241 -0.638 0.674 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.861 1.631 -2.626 1.00 0.00 C HETATM 1693 NA HEC A 201 3.934 1.436 -3.188 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.813 2.167 -4.352 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.443 2.231 -4.798 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.706 1.620 -3.842 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.639 1.077 -2.889 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.229 1.710 -3.671 1.00 0.00 C HETATM 1699 CAA HEC A 201 1.977 2.582 -6.172 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.298 4.033 -6.542 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.010 4.762 -6.935 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.896 5.935 -6.613 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.160 4.139 -7.548 1.00 0.00 O HETATM 1704 NB HEC A 201 4.496 0.039 -0.867 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.138 -0.175 -0.858 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.730 -0.966 0.285 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.844 -1.100 1.058 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.932 -0.561 0.288 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.513 -1.830 0.352 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.895 -1.336 2.535 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.529 -1.610 3.171 1.00 0.00 C HETATM 1712 NC HEC A 201 7.193 0.583 -1.197 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.304 -0.120 -0.019 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.677 -0.267 0.384 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.411 0.454 -0.490 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.493 0.917 -1.508 1.00 0.00 C HETATM 1717 CMC HEC A 201 9.208 -1.294 1.323 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.808 0.924 -0.262 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.860 -0.134 -0.599 1.00 0.00 C HETATM 1720 ND HEC A 201 6.626 1.974 -3.521 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.994 2.123 -3.568 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.406 2.851 -4.743 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.273 3.246 -5.361 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.182 2.644 -4.639 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.767 2.853 -5.342 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.165 4.295 -6.412 1.00 0.00 C HETATM 1727 CBD HEC A 201 6.969 3.703 -7.808 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.478 4.795 -8.762 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.426 4.535 -9.953 1.00 0.00 O HETATM 1730 O2D HEC A 201 6.163 5.872 -8.284 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.485 3.228 -4.613 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.039 1.838 -5.630 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.776 3.495 -6.223 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.723 -1.185 2.293 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 9.006 -2.289 0.926 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.284 -1.160 1.438 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.624 -1.219 0.195 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.568 -2.596 -0.421 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.458 -2.306 1.331 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.055 2.749 -3.505 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.265 1.337 -4.569 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.075 1.109 -2.814 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.907 3.283 -8.171 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 6.247 2.887 -7.770 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.703 -1.015 0.024 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.773 -0.412 -1.649 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.855 0.270 -0.412 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.872 -0.756 3.005 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.089 -2.499 2.719 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.652 -1.770 4.242 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.770 4.538 -5.699 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.009 4.059 -7.368 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.329 4.954 -6.179 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.066 4.908 -6.404 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.446 1.913 -6.894 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 0.901 2.422 -6.240 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.924 1.820 -2.774 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.457 -1.154 1.610 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.215 0.092 -1.687 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.647 3.288 -5.931 1.00 0.00 H new