USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 879 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 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot 150:sc= 1.04 USER MOD Set 1.2: A 67 TYR OH : rot -124:sc= 1.35 USER MOD Set 1.3: A 78 THR OG1 : rot 60:sc= 2.06 USER MOD Set 1.4: A 105 HEC O2D : rot 122:sc= 3.16 USER MOD Set 2.1: A 26 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.3) USER MOD Set 2.2: A 31 ASN : amide:sc=-0.00634 K(o=-0.41,f=-3.6!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -145:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 12 GLN : amide:sc= 1.08 K(o=2.3,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= -2.68 (180deg=-2.8) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -39:sc= 0.252 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -98:sc= 1.55 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.167 USER MOD Single : A 48 TYR OH : rot 30:sc= 0.678 USER MOD Single : A 52 ASN : amide:sc= -0.0447 X(o=-0.045,f=-0.2) USER MOD Single : A 53 LYS NZ :NH3+ -105:sc= 0.946 (180deg=-1.52!) USER MOD Single : A 54 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 1.06 (180deg=0.981) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1 (180deg=0.854) USER MOD Single : A 63 THR OG1 : rot 9:sc= 0.79 USER MOD Single : A 65 MET CE :methyl -162:sc= -0.046 (180deg=-0.414) USER MOD Single : A 70 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.368 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.255 (180deg=-0.255) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 101:sc= 0.118 USER MOD Single : A 97 TYR OH : rot -125:sc= 1.07 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.873) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -86:sc= 0.873 USER MOD Single : A 103 ASN : amide:sc= -0.235 K(o=-0.24,f=-0.9) USER MOD Single : A 105 HEC O2A : rot 22:sc= -0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.690 10.468 3.893 1.00 0.00 N ATOM 2 CA GLY A 1 -10.846 10.739 5.039 1.00 0.00 C ATOM 3 C GLY A 1 -9.876 11.792 4.532 1.00 0.00 C ATOM 4 O GLY A 1 -10.198 12.407 3.514 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.449 9.812 4.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.108 11.357 3.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.120 10.040 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.427 11.104 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.324 9.842 5.373 1.00 0.00 H new ATOM 10 N ASP A 2 -8.751 11.996 5.200 1.00 0.00 N ATOM 11 CA ASP A 2 -7.815 13.073 4.882 1.00 0.00 C ATOM 12 C ASP A 2 -6.386 12.545 4.761 1.00 0.00 C ATOM 13 O ASP A 2 -6.079 11.455 5.236 1.00 0.00 O ATOM 14 CB ASP A 2 -7.937 14.186 5.932 1.00 0.00 C ATOM 15 CG ASP A 2 -7.367 15.498 5.417 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.125 15.557 5.294 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.179 16.391 5.108 1.00 0.00 O ATOM 0 H ASP A 2 -8.456 11.416 5.985 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.070 13.495 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.985 14.323 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.412 13.891 6.840 1.00 0.00 H new ATOM 22 N VAL A 3 -5.501 13.327 4.144 1.00 0.00 N ATOM 23 CA VAL A 3 -4.078 13.047 4.104 1.00 0.00 C ATOM 24 C VAL A 3 -3.461 13.263 5.484 1.00 0.00 C ATOM 25 O VAL A 3 -2.569 12.512 5.869 1.00 0.00 O ATOM 26 CB VAL A 3 -3.379 13.865 2.999 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.653 15.375 3.055 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.859 13.644 3.036 1.00 0.00 C ATOM 0 H VAL A 3 -5.762 14.182 3.653 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.928 11.999 3.844 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.808 13.495 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.123 15.871 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.723 15.555 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.308 15.772 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.387 14.231 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.469 13.957 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.641 12.587 2.882 1.00 0.00 H new ATOM 38 N GLU A 4 -3.923 14.263 6.238 1.00 0.00 N ATOM 39 CA GLU A 4 -3.368 14.583 7.545 1.00 0.00 C ATOM 40 C GLU A 4 -3.602 13.418 8.499 1.00 0.00 C ATOM 41 O GLU A 4 -2.671 12.908 9.122 1.00 0.00 O ATOM 42 CB GLU A 4 -3.990 15.875 8.085 1.00 0.00 C ATOM 43 CG GLU A 4 -3.588 17.090 7.235 1.00 0.00 C ATOM 44 CD GLU A 4 -3.121 18.242 8.114 1.00 0.00 C ATOM 45 OE1 GLU A 4 -3.963 18.743 8.889 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.918 18.567 8.022 1.00 0.00 O ATOM 0 H GLU A 4 -4.692 14.870 5.955 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.294 14.744 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.076 15.781 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.673 16.030 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.792 16.808 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.436 17.411 6.629 1.00 0.00 H new ATOM 53 N LYS A 5 -4.856 12.977 8.590 1.00 0.00 N ATOM 54 CA LYS A 5 -5.201 11.780 9.335 1.00 0.00 C ATOM 55 C LYS A 5 -4.547 10.567 8.676 1.00 0.00 C ATOM 56 O LYS A 5 -3.874 9.803 9.364 1.00 0.00 O ATOM 57 CB LYS A 5 -6.725 11.633 9.408 1.00 0.00 C ATOM 58 CG LYS A 5 -7.357 12.645 10.374 1.00 0.00 C ATOM 59 CD LYS A 5 -7.298 12.152 11.828 1.00 0.00 C ATOM 60 CE LYS A 5 -7.932 13.191 12.767 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.015 12.715 14.164 1.00 0.00 N ATOM 0 H LYS A 5 -5.652 13.440 8.151 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.827 11.854 10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.150 11.768 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.976 10.622 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.838 13.600 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.395 12.820 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.823 11.201 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.262 11.974 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.347 14.110 12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.932 13.436 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.449 13.451 14.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.595 11.852 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.059 12.506 14.517 1.00 0.00 H new ATOM 75 N GLY A 6 -4.714 10.391 7.362 1.00 0.00 N ATOM 76 CA GLY A 6 -4.240 9.205 6.658 1.00 0.00 C ATOM 77 C GLY A 6 -2.775 8.939 6.967 1.00 0.00 C ATOM 78 O GLY A 6 -2.448 7.866 7.466 1.00 0.00 O ATOM 0 H GLY A 6 -5.182 11.069 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.839 8.342 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.371 9.338 5.584 1.00 0.00 H new ATOM 82 N LYS A 7 -1.903 9.926 6.739 1.00 0.00 N ATOM 83 CA LYS A 7 -0.477 9.780 6.991 1.00 0.00 C ATOM 84 C LYS A 7 -0.183 9.399 8.438 1.00 0.00 C ATOM 85 O LYS A 7 0.729 8.619 8.689 1.00 0.00 O ATOM 86 CB LYS A 7 0.330 10.965 6.434 1.00 0.00 C ATOM 87 CG LYS A 7 0.197 12.199 7.312 1.00 0.00 C ATOM 88 CD LYS A 7 0.595 13.500 6.591 1.00 0.00 C ATOM 89 CE LYS A 7 2.120 13.697 6.562 1.00 0.00 C ATOM 90 NZ LYS A 7 2.522 14.899 5.799 1.00 0.00 N ATOM 0 H LYS A 7 -2.170 10.841 6.377 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.115 8.924 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.381 10.685 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.013 11.197 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.834 12.283 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.821 12.076 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.212 13.481 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.129 14.349 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.492 13.778 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.588 12.817 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.558 14.987 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.192 14.813 4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.099 15.744 6.234 1.00 0.00 H new ATOM 104 N LYS A 8 -0.987 9.883 9.384 1.00 0.00 N ATOM 105 CA LYS A 8 -0.774 9.612 10.794 1.00 0.00 C ATOM 106 C LYS A 8 -1.134 8.158 11.103 1.00 0.00 C ATOM 107 O LYS A 8 -0.337 7.420 11.685 1.00 0.00 O ATOM 108 CB LYS A 8 -1.606 10.593 11.644 1.00 0.00 C ATOM 109 CG LYS A 8 -0.771 11.626 12.413 1.00 0.00 C ATOM 110 CD LYS A 8 -0.356 11.127 13.807 1.00 0.00 C ATOM 111 CE LYS A 8 0.809 10.127 13.773 1.00 0.00 C ATOM 112 NZ LYS A 8 1.146 9.625 15.119 1.00 0.00 N ATOM 0 H LYS A 8 -1.798 10.470 9.190 1.00 0.00 H new ATOM 0 HA LYS A 8 0.277 9.758 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.303 11.119 10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.203 10.023 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.122 11.868 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.344 12.548 12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.074 11.982 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.214 10.658 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.548 9.288 13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.685 10.605 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.173 9.476 15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.849 10.320 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.654 8.724 15.287 1.00 0.00 H new ATOM 126 N ILE A 9 -2.356 7.758 10.744 1.00 0.00 N ATOM 127 CA ILE A 9 -2.890 6.457 11.104 1.00 0.00 C ATOM 128 C ILE A 9 -2.090 5.387 10.363 1.00 0.00 C ATOM 129 O ILE A 9 -1.712 4.377 10.956 1.00 0.00 O ATOM 130 CB ILE A 9 -4.410 6.435 10.817 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.240 6.993 11.990 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.919 5.012 10.569 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.118 8.505 12.182 1.00 0.00 C ATOM 0 H ILE A 9 -2.997 8.332 10.196 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.785 6.247 12.168 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.536 7.059 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.289 6.742 11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.930 6.495 12.909 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.991 5.038 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.402 4.585 9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.727 4.398 11.449 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.733 8.815 13.027 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.077 8.764 12.376 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.457 9.015 11.280 1.00 0.00 H new ATOM 145 N PHE A 10 -1.807 5.637 9.083 1.00 0.00 N ATOM 146 CA PHE A 10 -0.903 4.830 8.286 1.00 0.00 C ATOM 147 C PHE A 10 0.424 4.679 9.011 1.00 0.00 C ATOM 148 O PHE A 10 0.769 3.574 9.409 1.00 0.00 O ATOM 149 CB PHE A 10 -0.715 5.520 6.922 1.00 0.00 C ATOM 150 CG PHE A 10 0.437 5.034 6.075 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.279 3.948 5.213 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.709 5.603 6.234 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.405 3.362 4.619 1.00 0.00 C ATOM 154 CE2 PHE A 10 2.843 4.999 5.686 1.00 0.00 C ATOM 155 CZ PHE A 10 2.685 3.869 4.874 1.00 0.00 C ATOM 0 H PHE A 10 -2.210 6.421 8.570 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.313 3.832 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.634 5.400 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.585 6.588 7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.707 3.561 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.813 6.523 6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.285 2.514 3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.827 5.397 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.551 3.388 4.444 1.00 0.00 H new ATOM 165 N VAL A 11 1.174 5.765 9.209 1.00 0.00 N ATOM 166 CA VAL A 11 2.500 5.670 9.785 1.00 0.00 C ATOM 167 C VAL A 11 2.460 4.875 11.099 1.00 0.00 C ATOM 168 O VAL A 11 3.331 4.042 11.338 1.00 0.00 O ATOM 169 CB VAL A 11 3.126 7.073 9.921 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.190 7.120 11.010 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.745 7.609 8.620 1.00 0.00 C ATOM 0 H VAL A 11 0.879 6.714 8.977 1.00 0.00 H new ATOM 0 HA VAL A 11 3.155 5.110 9.117 1.00 0.00 H new ATOM 0 HB VAL A 11 2.285 7.714 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.604 8.126 11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.743 6.853 11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.986 6.414 10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.164 8.599 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.535 6.935 8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.976 7.673 7.850 1.00 0.00 H new ATOM 181 N GLN A 12 1.436 5.087 11.933 1.00 0.00 N ATOM 182 CA GLN A 12 1.294 4.364 13.181 1.00 0.00 C ATOM 183 C GLN A 12 1.275 2.834 13.029 1.00 0.00 C ATOM 184 O GLN A 12 1.668 2.157 13.978 1.00 0.00 O ATOM 185 CB GLN A 12 0.061 4.888 13.927 1.00 0.00 C ATOM 186 CG GLN A 12 0.499 5.905 14.985 1.00 0.00 C ATOM 187 CD GLN A 12 -0.676 6.585 15.673 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.775 7.811 15.654 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.550 5.813 16.312 1.00 0.00 N ATOM 0 H GLN A 12 0.692 5.762 11.755 1.00 0.00 H new ATOM 0 HA GLN A 12 2.190 4.557 13.771 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.632 5.353 13.225 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.470 4.062 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.111 5.402 15.734 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.127 6.662 14.516 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.435 4.799 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.335 6.234 16.808 1.00 0.00 H new ATOM 198 N LYS A 13 0.797 2.275 11.909 1.00 0.00 N ATOM 199 CA LYS A 13 0.729 0.818 11.744 1.00 0.00 C ATOM 200 C LYS A 13 1.049 0.263 10.347 1.00 0.00 C ATOM 201 O LYS A 13 0.784 -0.910 10.086 1.00 0.00 O ATOM 202 CB LYS A 13 -0.616 0.310 12.256 1.00 0.00 C ATOM 203 CG LYS A 13 -1.814 1.014 11.628 1.00 0.00 C ATOM 204 CD LYS A 13 -2.510 1.904 12.661 1.00 0.00 C ATOM 205 CE LYS A 13 -3.265 1.075 13.720 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.140 1.911 14.565 1.00 0.00 N ATOM 0 H LYS A 13 0.454 2.806 11.109 1.00 0.00 H new ATOM 0 HA LYS A 13 1.549 0.427 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.690 -0.760 12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.656 0.439 13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.487 1.616 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.517 0.276 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.770 2.535 13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.209 2.569 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.864 0.313 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.545 0.553 14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.626 1.311 15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.566 2.622 15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.845 2.390 13.968 1.00 0.00 H new ATOM 220 N CYS A 14 1.635 1.068 9.465 1.00 0.00 N ATOM 221 CA CYS A 14 2.030 0.655 8.123 1.00 0.00 C ATOM 222 C CYS A 14 3.525 0.943 7.943 1.00 0.00 C ATOM 223 O CYS A 14 4.259 0.093 7.451 1.00 0.00 O ATOM 224 CB CYS A 14 1.241 1.387 7.066 1.00 0.00 C ATOM 225 SG CYS A 14 -0.585 1.322 7.128 1.00 0.00 S ATOM 0 H CYS A 14 1.852 2.044 9.668 1.00 0.00 H new ATOM 0 HA CYS A 14 1.828 -0.410 8.009 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.535 2.436 7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.552 1.001 6.095 1.00 0.00 H new ATOM 230 N ALA A 15 3.994 2.131 8.355 1.00 0.00 N ATOM 231 CA ALA A 15 5.380 2.579 8.175 1.00 0.00 C ATOM 232 C ALA A 15 6.421 1.623 8.742 1.00 0.00 C ATOM 233 O ALA A 15 7.519 1.543 8.204 1.00 0.00 O ATOM 234 CB ALA A 15 5.592 3.955 8.785 1.00 0.00 C ATOM 0 H ALA A 15 3.409 2.818 8.831 1.00 0.00 H new ATOM 0 HA ALA A 15 5.526 2.612 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.627 4.263 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.928 4.673 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.373 3.918 9.852 1.00 0.00 H new ATOM 240 N GLN A 16 6.086 0.899 9.813 1.00 0.00 N ATOM 241 CA GLN A 16 6.927 -0.175 10.343 1.00 0.00 C ATOM 242 C GLN A 16 7.466 -1.059 9.207 1.00 0.00 C ATOM 243 O GLN A 16 8.615 -1.492 9.251 1.00 0.00 O ATOM 244 CB GLN A 16 6.136 -0.996 11.380 1.00 0.00 C ATOM 245 CG GLN A 16 6.777 -0.944 12.775 1.00 0.00 C ATOM 246 CD GLN A 16 8.009 -1.838 12.881 1.00 0.00 C ATOM 247 OE1 GLN A 16 9.133 -1.386 12.692 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.810 -3.113 13.209 1.00 0.00 N ATOM 0 H GLN A 16 5.223 1.042 10.337 1.00 0.00 H new ATOM 0 HA GLN A 16 7.790 0.263 10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.115 -0.618 11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.074 -2.033 11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.056 0.084 13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.044 -1.250 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.862 -3.459 13.360 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.605 -3.744 13.310 1.00 0.00 H new ATOM 257 N CYS A 17 6.630 -1.303 8.194 1.00 0.00 N ATOM 258 CA CYS A 17 6.981 -2.016 6.980 1.00 0.00 C ATOM 259 C CYS A 17 7.242 -1.053 5.801 1.00 0.00 C ATOM 260 O CYS A 17 8.063 -1.380 4.947 1.00 0.00 O ATOM 261 CB CYS A 17 5.900 -3.027 6.678 1.00 0.00 C ATOM 262 SG CYS A 17 5.720 -4.257 8.020 1.00 0.00 S ATOM 0 H CYS A 17 5.658 -0.995 8.205 1.00 0.00 H new ATOM 0 HA CYS A 17 7.921 -2.547 7.131 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.952 -2.511 6.530 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.133 -3.540 5.745 1.00 0.00 H new ATOM 267 N HIS A 18 6.568 0.110 5.730 1.00 0.00 N ATOM 268 CA HIS A 18 6.508 0.974 4.543 1.00 0.00 C ATOM 269 C HIS A 18 6.763 2.461 4.827 1.00 0.00 C ATOM 270 O HIS A 18 5.824 3.254 4.826 1.00 0.00 O ATOM 271 CB HIS A 18 5.093 0.889 3.967 1.00 0.00 C ATOM 272 CG HIS A 18 4.722 -0.448 3.425 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.020 -0.883 2.160 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.713 -1.224 3.919 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.220 -1.924 1.901 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.412 -2.178 2.940 1.00 0.00 N ATOM 0 H HIS A 18 6.038 0.481 6.518 1.00 0.00 H new ATOM 0 HA HIS A 18 7.290 0.620 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.381 1.161 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.993 1.629 3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.721 -0.487 1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.237 -1.121 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.225 -2.485 0.978 1.00 0.00 H new ATOM 284 N THR A 19 7.997 2.911 5.018 1.00 0.00 N ATOM 285 CA THR A 19 8.230 4.306 5.385 1.00 0.00 C ATOM 286 C THR A 19 8.199 5.250 4.162 1.00 0.00 C ATOM 287 O THR A 19 9.199 5.891 3.829 1.00 0.00 O ATOM 288 CB THR A 19 9.541 4.373 6.170 1.00 0.00 C ATOM 289 OG1 THR A 19 9.694 3.219 6.971 1.00 0.00 O ATOM 290 CG2 THR A 19 9.612 5.621 7.051 1.00 0.00 C ATOM 0 H THR A 19 8.840 2.344 4.927 1.00 0.00 H new ATOM 0 HA THR A 19 7.419 4.665 6.019 1.00 0.00 H new ATOM 0 HB THR A 19 10.352 4.424 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.826 2.967 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.558 5.631 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.541 6.512 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.787 5.611 7.763 1.00 0.00 H new ATOM 298 N VAL A 20 7.046 5.359 3.491 1.00 0.00 N ATOM 299 CA VAL A 20 6.805 6.292 2.405 1.00 0.00 C ATOM 300 C VAL A 20 6.694 7.716 2.967 1.00 0.00 C ATOM 301 O VAL A 20 5.600 8.228 3.201 1.00 0.00 O ATOM 302 CB VAL A 20 5.596 5.830 1.568 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.285 5.631 2.343 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.389 6.770 0.380 1.00 0.00 C ATOM 0 H VAL A 20 6.235 4.778 3.703 1.00 0.00 H new ATOM 0 HA VAL A 20 7.645 6.310 1.711 1.00 0.00 H new ATOM 0 HB VAL A 20 5.857 4.829 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.503 5.306 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.429 4.874 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.991 6.572 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.532 6.434 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.206 7.781 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.280 6.765 -0.247 1.00 0.00 H new ATOM 314 N GLU A 21 7.856 8.326 3.194 1.00 0.00 N ATOM 315 CA GLU A 21 8.014 9.696 3.672 1.00 0.00 C ATOM 316 C GLU A 21 9.496 10.093 3.691 1.00 0.00 C ATOM 317 O GLU A 21 9.838 11.238 3.405 1.00 0.00 O ATOM 318 CB GLU A 21 7.368 9.891 5.056 1.00 0.00 C ATOM 319 CG GLU A 21 7.725 8.780 6.054 1.00 0.00 C ATOM 320 CD GLU A 21 7.364 9.140 7.489 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.333 9.819 7.675 1.00 0.00 O ATOM 322 OE2 GLU A 21 8.146 8.726 8.372 1.00 0.00 O ATOM 0 H GLU A 21 8.750 7.858 3.043 1.00 0.00 H new ATOM 0 HA GLU A 21 7.493 10.354 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.683 10.852 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.285 9.933 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.206 7.864 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.793 8.573 5.994 1.00 0.00 H new ATOM 329 N LYS A 22 10.386 9.159 4.049 1.00 0.00 N ATOM 330 CA LYS A 22 11.814 9.409 4.166 1.00 0.00 C ATOM 331 C LYS A 22 12.618 8.319 3.456 1.00 0.00 C ATOM 332 O LYS A 22 12.062 7.358 2.926 1.00 0.00 O ATOM 333 CB LYS A 22 12.178 9.505 5.656 1.00 0.00 C ATOM 334 CG LYS A 22 11.854 8.219 6.436 1.00 0.00 C ATOM 335 CD LYS A 22 12.951 7.858 7.446 1.00 0.00 C ATOM 336 CE LYS A 22 13.040 8.908 8.563 1.00 0.00 C ATOM 337 NZ LYS A 22 14.054 8.549 9.575 1.00 0.00 N ATOM 0 H LYS A 22 10.123 8.198 4.267 1.00 0.00 H new ATOM 0 HA LYS A 22 12.065 10.351 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.242 9.724 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.639 10.341 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.907 8.344 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.723 7.395 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.744 6.879 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.911 7.784 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.286 9.878 8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.067 9.010 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.084 9.282 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.806 7.635 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.987 8.476 9.121 1.00 0.00 H new ATOM 351 N GLY A 23 13.947 8.432 3.526 1.00 0.00 N ATOM 352 CA GLY A 23 14.893 7.422 3.089 1.00 0.00 C ATOM 353 C GLY A 23 14.869 6.256 4.072 1.00 0.00 C ATOM 354 O GLY A 23 15.804 6.066 4.847 1.00 0.00 O ATOM 0 H GLY A 23 14.403 9.263 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.637 7.075 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.896 7.846 3.033 1.00 0.00 H new ATOM 358 N GLY A 24 13.762 5.516 4.061 1.00 0.00 N ATOM 359 CA GLY A 24 13.587 4.303 4.840 1.00 0.00 C ATOM 360 C GLY A 24 14.321 3.134 4.183 1.00 0.00 C ATOM 361 O GLY A 24 15.505 3.232 3.866 1.00 0.00 O ATOM 0 H GLY A 24 12.947 5.753 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.965 4.455 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.526 4.070 4.928 1.00 0.00 H new ATOM 365 N LYS A 25 13.622 2.014 3.980 1.00 0.00 N ATOM 366 CA LYS A 25 14.201 0.801 3.424 1.00 0.00 C ATOM 367 C LYS A 25 13.086 -0.182 3.082 1.00 0.00 C ATOM 368 O LYS A 25 12.102 -0.282 3.810 1.00 0.00 O ATOM 369 CB LYS A 25 15.186 0.176 4.430 1.00 0.00 C ATOM 370 CG LYS A 25 16.654 0.279 3.981 1.00 0.00 C ATOM 371 CD LYS A 25 17.542 0.825 5.106 1.00 0.00 C ATOM 372 CE LYS A 25 19.018 0.564 4.778 1.00 0.00 C ATOM 373 NZ LYS A 25 19.927 1.382 5.607 1.00 0.00 N ATOM 0 H LYS A 25 12.630 1.929 4.201 1.00 0.00 H new ATOM 0 HA LYS A 25 14.750 1.044 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.072 0.669 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.930 -0.873 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.013 -0.704 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.726 0.930 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.371 1.894 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.281 0.349 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.241 -0.492 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.198 0.779 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.913 1.173 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.733 2.391 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.775 1.159 6.612 1.00 0.00 H new ATOM 387 N HIS A 26 13.268 -0.931 1.993 1.00 0.00 N ATOM 388 CA HIS A 26 12.236 -1.787 1.429 1.00 0.00 C ATOM 389 C HIS A 26 12.326 -3.193 2.032 1.00 0.00 C ATOM 390 O HIS A 26 12.377 -4.185 1.309 1.00 0.00 O ATOM 391 CB HIS A 26 12.405 -1.842 -0.093 1.00 0.00 C ATOM 392 CG HIS A 26 12.314 -0.515 -0.816 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.103 0.595 -0.600 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.502 -0.231 -1.881 1.00 0.00 C ATOM 395 CE1 HIS A 26 12.742 1.534 -1.491 1.00 0.00 C ATOM 396 NE2 HIS A 26 11.767 1.076 -2.291 1.00 0.00 N ATOM 0 H HIS A 26 14.147 -0.957 1.476 1.00 0.00 H new ATOM 0 HA HIS A 26 11.253 -1.379 1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.374 -2.290 -0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.645 -2.509 -0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.782 -0.902 -2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.177 2.521 -1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.310 1.583 -3.049 1.00 0.00 H new ATOM 404 N LYS A 27 12.414 -3.283 3.359 1.00 0.00 N ATOM 405 CA LYS A 27 12.794 -4.530 4.023 1.00 0.00 C ATOM 406 C LYS A 27 11.624 -5.516 4.040 1.00 0.00 C ATOM 407 O LYS A 27 11.737 -6.633 3.540 1.00 0.00 O ATOM 408 CB LYS A 27 13.317 -4.253 5.443 1.00 0.00 C ATOM 409 CG LYS A 27 13.958 -5.503 6.075 1.00 0.00 C ATOM 410 CD LYS A 27 15.489 -5.468 5.965 1.00 0.00 C ATOM 411 CE LYS A 27 16.096 -6.785 6.479 1.00 0.00 C ATOM 412 NZ LYS A 27 17.574 -6.750 6.507 1.00 0.00 N ATOM 0 H LYS A 27 12.227 -2.508 3.995 1.00 0.00 H new ATOM 0 HA LYS A 27 13.603 -4.989 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.050 -3.447 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.495 -3.910 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.669 -5.570 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.577 -6.397 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.781 -5.306 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.882 -4.630 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.721 -6.988 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.766 -7.607 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.936 -7.659 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.936 -6.583 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.891 -5.984 7.134 1.00 0.00 H new ATOM 426 N THR A 28 10.522 -5.114 4.675 1.00 0.00 N ATOM 427 CA THR A 28 9.342 -5.945 4.881 1.00 0.00 C ATOM 428 C THR A 28 8.132 -5.303 4.197 1.00 0.00 C ATOM 429 O THR A 28 7.002 -5.692 4.463 1.00 0.00 O ATOM 430 CB THR A 28 9.132 -6.141 6.395 1.00 0.00 C ATOM 431 OG1 THR A 28 10.388 -6.377 7.007 1.00 0.00 O ATOM 432 CG2 THR A 28 8.213 -7.323 6.744 1.00 0.00 C ATOM 0 H THR A 28 10.426 -4.178 5.069 1.00 0.00 H new ATOM 0 HA THR A 28 9.476 -6.929 4.431 1.00 0.00 H new ATOM 0 HB THR A 28 8.654 -5.232 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.264 -6.501 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.112 -7.398 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.231 -7.164 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.643 -8.246 6.354 1.00 0.00 H new ATOM 440 N GLY A 29 8.358 -4.349 3.294 1.00 0.00 N ATOM 441 CA GLY A 29 7.317 -3.630 2.585 1.00 0.00 C ATOM 442 C GLY A 29 8.033 -2.649 1.663 1.00 0.00 C ATOM 443 O GLY A 29 8.954 -1.979 2.123 1.00 0.00 O ATOM 0 H GLY A 29 9.298 -4.052 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.690 -4.315 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.663 -3.104 3.281 1.00 0.00 H new ATOM 447 N PRO A 30 7.727 -2.589 0.359 1.00 0.00 N ATOM 448 CA PRO A 30 8.330 -1.590 -0.510 1.00 0.00 C ATOM 449 C PRO A 30 7.968 -0.181 -0.027 1.00 0.00 C ATOM 450 O PRO A 30 6.819 0.059 0.332 1.00 0.00 O ATOM 451 CB PRO A 30 7.761 -1.858 -1.909 1.00 0.00 C ATOM 452 CG PRO A 30 7.252 -3.299 -1.852 1.00 0.00 C ATOM 453 CD PRO A 30 6.855 -3.480 -0.387 1.00 0.00 C ATOM 0 HA PRO A 30 9.418 -1.652 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.956 -1.163 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.525 -1.738 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.404 -3.452 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.024 -4.009 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.806 -3.227 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.985 -4.515 -0.069 1.00 0.00 H new ATOM 461 N ASN A 31 8.900 0.779 -0.031 1.00 0.00 N ATOM 462 CA ASN A 31 8.507 2.175 0.133 1.00 0.00 C ATOM 463 C ASN A 31 7.521 2.500 -0.993 1.00 0.00 C ATOM 464 O ASN A 31 7.847 2.303 -2.164 1.00 0.00 O ATOM 465 CB ASN A 31 9.717 3.116 0.063 1.00 0.00 C ATOM 466 CG ASN A 31 10.722 2.932 1.198 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.327 1.873 1.341 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.953 3.964 2.007 1.00 0.00 N ATOM 0 H ASN A 31 9.901 0.619 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 31 8.053 2.319 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.228 2.962 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.362 4.147 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.640 3.881 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.443 4.838 1.877 1.00 0.00 H new ATOM 475 N LEU A 32 6.313 2.954 -0.648 1.00 0.00 N ATOM 476 CA LEU A 32 5.184 3.084 -1.566 1.00 0.00 C ATOM 477 C LEU A 32 5.333 4.281 -2.525 1.00 0.00 C ATOM 478 O LEU A 32 4.441 5.122 -2.616 1.00 0.00 O ATOM 479 CB LEU A 32 3.882 3.209 -0.755 1.00 0.00 C ATOM 480 CG LEU A 32 3.572 2.101 0.265 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.225 2.387 0.949 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.520 0.729 -0.399 1.00 0.00 C ATOM 0 H LEU A 32 6.090 3.248 0.303 1.00 0.00 H new ATOM 0 HA LEU A 32 5.157 2.188 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.908 4.159 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.051 3.261 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 32 4.373 2.093 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.009 1.599 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.275 3.347 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.435 2.418 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.299 -0.030 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.741 0.723 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.483 0.512 -0.862 1.00 0.00 H new ATOM 494 N HIS A 33 6.444 4.364 -3.260 1.00 0.00 N ATOM 495 CA HIS A 33 6.747 5.479 -4.148 1.00 0.00 C ATOM 496 C HIS A 33 5.736 5.577 -5.285 1.00 0.00 C ATOM 497 O HIS A 33 5.203 6.645 -5.562 1.00 0.00 O ATOM 498 CB HIS A 33 8.165 5.319 -4.708 1.00 0.00 C ATOM 499 CG HIS A 33 9.231 5.618 -3.689 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.499 6.858 -3.153 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.109 4.725 -3.134 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.518 6.711 -2.289 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.922 5.430 -2.240 1.00 0.00 N ATOM 0 H HIS A 33 7.167 3.645 -3.252 1.00 0.00 H new ATOM 0 HA HIS A 33 6.685 6.403 -3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.294 4.300 -5.074 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.290 5.983 -5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.164 3.668 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.953 7.514 -1.712 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.673 5.048 -1.665 1.00 0.00 H new ATOM 511 N GLY A 34 5.490 4.465 -5.975 1.00 0.00 N ATOM 512 CA GLY A 34 4.590 4.432 -7.112 1.00 0.00 C ATOM 513 C GLY A 34 3.492 3.429 -6.817 1.00 0.00 C ATOM 514 O GLY A 34 3.702 2.230 -6.998 1.00 0.00 O ATOM 0 H GLY A 34 5.913 3.563 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.165 5.420 -7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.130 4.150 -8.016 1.00 0.00 H new ATOM 518 N LEU A 35 2.355 3.942 -6.351 1.00 0.00 N ATOM 519 CA LEU A 35 1.171 3.193 -5.950 1.00 0.00 C ATOM 520 C LEU A 35 -0.083 3.756 -6.622 1.00 0.00 C ATOM 521 O LEU A 35 -1.188 3.406 -6.229 1.00 0.00 O ATOM 522 CB LEU A 35 1.035 3.296 -4.426 1.00 0.00 C ATOM 523 CG LEU A 35 0.872 1.947 -3.733 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.180 1.150 -3.801 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.461 2.286 -2.295 1.00 0.00 C ATOM 0 H LEU A 35 2.231 4.948 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 35 1.276 2.152 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.916 3.797 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.176 3.923 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 35 0.123 1.313 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.047 0.190 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.450 0.983 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.973 1.710 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.324 1.365 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.240 2.887 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.473 2.847 -2.306 1.00 0.00 H new ATOM 537 N PHE A 36 0.106 4.642 -7.604 1.00 0.00 N ATOM 538 CA PHE A 36 -0.929 5.221 -8.436 1.00 0.00 C ATOM 539 C PHE A 36 -0.331 5.400 -9.819 1.00 0.00 C ATOM 540 O PHE A 36 0.593 6.191 -9.984 1.00 0.00 O ATOM 541 CB PHE A 36 -1.436 6.538 -7.835 1.00 0.00 C ATOM 542 CG PHE A 36 -2.390 6.303 -6.683 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.577 5.594 -6.931 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.998 6.551 -5.355 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.333 5.112 -5.858 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.809 6.133 -4.286 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.015 5.473 -4.547 1.00 0.00 C ATOM 0 H PHE A 36 1.036 4.986 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.803 4.573 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.588 7.129 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.937 7.121 -8.608 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.904 5.422 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.069 7.065 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.170 4.455 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.503 6.320 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.695 5.244 -3.740 1.00 0.00 H new ATOM 557 N GLY A 37 -0.797 4.616 -10.794 1.00 0.00 N ATOM 558 CA GLY A 37 -0.337 4.739 -12.171 1.00 0.00 C ATOM 559 C GLY A 37 0.907 3.896 -12.464 1.00 0.00 C ATOM 560 O GLY A 37 1.244 3.696 -13.630 1.00 0.00 O ATOM 0 H GLY A 37 -1.496 3.887 -10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.140 4.438 -12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.118 5.786 -12.383 1.00 0.00 H new ATOM 564 N ARG A 38 1.599 3.385 -11.440 1.00 0.00 N ATOM 565 CA ARG A 38 2.767 2.546 -11.646 1.00 0.00 C ATOM 566 C ARG A 38 2.334 1.111 -11.937 1.00 0.00 C ATOM 567 O ARG A 38 1.732 0.456 -11.086 1.00 0.00 O ATOM 568 CB ARG A 38 3.712 2.612 -10.443 1.00 0.00 C ATOM 569 CG ARG A 38 5.024 1.903 -10.809 1.00 0.00 C ATOM 570 CD ARG A 38 6.142 2.182 -9.803 1.00 0.00 C ATOM 571 NE ARG A 38 5.876 1.537 -8.503 1.00 0.00 N ATOM 572 CZ ARG A 38 6.506 0.459 -8.014 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.246 -0.298 -8.831 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.385 0.140 -6.720 1.00 0.00 N ATOM 0 H ARG A 38 1.363 3.543 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 38 3.318 2.920 -12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.906 3.650 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.254 2.136 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.849 0.829 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.343 2.225 -11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.090 1.821 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.245 3.258 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 38 5.145 1.949 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.328 -0.054 -9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.729 -1.120 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.813 0.717 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.865 -0.680 -6.350 1.00 0.00 H new ATOM 588 N LYS A 39 2.675 0.630 -13.135 1.00 0.00 N ATOM 589 CA LYS A 39 2.464 -0.741 -13.574 1.00 0.00 C ATOM 590 C LYS A 39 2.981 -1.723 -12.515 1.00 0.00 C ATOM 591 O LYS A 39 4.184 -1.806 -12.265 1.00 0.00 O ATOM 592 CB LYS A 39 3.124 -0.956 -14.945 1.00 0.00 C ATOM 593 CG LYS A 39 2.534 -0.002 -16.003 1.00 0.00 C ATOM 594 CD LYS A 39 3.505 1.113 -16.426 1.00 0.00 C ATOM 595 CE LYS A 39 4.487 0.613 -17.497 1.00 0.00 C ATOM 596 NZ LYS A 39 5.462 1.653 -17.890 1.00 0.00 N ATOM 0 H LYS A 39 3.121 1.209 -13.847 1.00 0.00 H new ATOM 0 HA LYS A 39 1.397 -0.931 -13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.199 -0.793 -14.864 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.981 -1.989 -15.263 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.248 -0.578 -16.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.624 0.449 -15.608 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.942 1.963 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.059 1.466 -15.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.021 -0.259 -17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.930 0.289 -18.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.104 1.271 -18.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.956 2.476 -18.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.013 1.944 -17.058 1.00 0.00 H new ATOM 610 N THR A 40 2.061 -2.430 -11.859 1.00 0.00 N ATOM 611 CA THR A 40 2.344 -3.416 -10.849 1.00 0.00 C ATOM 612 C THR A 40 2.846 -4.695 -11.517 1.00 0.00 C ATOM 613 O THR A 40 2.593 -4.924 -12.698 1.00 0.00 O ATOM 614 CB THR A 40 1.010 -3.667 -10.152 1.00 0.00 C ATOM 615 OG1 THR A 40 0.384 -2.426 -9.865 1.00 0.00 O ATOM 616 CG2 THR A 40 1.169 -4.491 -8.885 1.00 0.00 C ATOM 0 H THR A 40 1.062 -2.317 -12.033 1.00 0.00 H new ATOM 0 HA THR A 40 3.110 -3.089 -10.145 1.00 0.00 H new ATOM 0 HB THR A 40 0.382 -4.247 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.555 -2.181 -8.932 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.193 -4.643 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.608 -5.458 -9.132 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.821 -3.964 -8.188 1.00 0.00 H new ATOM 624 N GLY A 41 3.509 -5.557 -10.748 1.00 0.00 N ATOM 625 CA GLY A 41 3.878 -6.872 -11.242 1.00 0.00 C ATOM 626 C GLY A 41 5.162 -6.802 -12.069 1.00 0.00 C ATOM 627 O GLY A 41 5.322 -7.549 -13.031 1.00 0.00 O ATOM 0 H GLY A 41 3.798 -5.366 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.017 -7.554 -10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.070 -7.276 -11.851 1.00 0.00 H new ATOM 631 N GLN A 42 6.069 -5.887 -11.703 1.00 0.00 N ATOM 632 CA GLN A 42 7.288 -5.617 -12.455 1.00 0.00 C ATOM 633 C GLN A 42 8.405 -5.177 -11.505 1.00 0.00 C ATOM 634 O GLN A 42 9.345 -5.927 -11.273 1.00 0.00 O ATOM 635 CB GLN A 42 6.988 -4.569 -13.541 1.00 0.00 C ATOM 636 CG GLN A 42 8.202 -4.304 -14.442 1.00 0.00 C ATOM 637 CD GLN A 42 7.942 -3.144 -15.399 1.00 0.00 C ATOM 638 OE1 GLN A 42 6.981 -3.152 -16.161 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.788 -2.118 -15.363 1.00 0.00 N ATOM 0 H GLN A 42 5.970 -5.311 -10.867 1.00 0.00 H new ATOM 0 HA GLN A 42 7.637 -6.522 -12.953 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.152 -4.910 -14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.678 -3.637 -13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.073 -4.081 -13.826 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.437 -5.203 -15.012 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.581 -2.133 -14.721 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.644 -1.316 -15.977 1.00 0.00 H new ATOM 648 N ALA A 43 8.289 -3.961 -10.951 1.00 0.00 N ATOM 649 CA ALA A 43 9.269 -3.343 -10.057 1.00 0.00 C ATOM 650 C ALA A 43 10.662 -3.189 -10.704 1.00 0.00 C ATOM 651 O ALA A 43 10.888 -3.677 -11.809 1.00 0.00 O ATOM 652 CB ALA A 43 9.297 -4.130 -8.740 1.00 0.00 C ATOM 0 H ALA A 43 7.480 -3.363 -11.122 1.00 0.00 H new ATOM 0 HA ALA A 43 8.961 -2.319 -9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.024 -3.681 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.309 -4.105 -8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.578 -5.164 -8.940 1.00 0.00 H new ATOM 658 N PRO A 44 11.604 -2.476 -10.059 1.00 0.00 N ATOM 659 CA PRO A 44 12.982 -2.412 -10.527 1.00 0.00 C ATOM 660 C PRO A 44 13.800 -3.607 -10.034 1.00 0.00 C ATOM 661 O PRO A 44 14.765 -4.005 -10.681 1.00 0.00 O ATOM 662 CB PRO A 44 13.526 -1.087 -9.991 1.00 0.00 C ATOM 663 CG PRO A 44 12.766 -0.910 -8.677 1.00 0.00 C ATOM 664 CD PRO A 44 11.400 -1.541 -8.961 1.00 0.00 C ATOM 0 HA PRO A 44 13.043 -2.457 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.604 -1.128 -9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.337 -0.264 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.273 -1.408 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.673 0.142 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.017 -2.054 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.668 -0.779 -9.229 1.00 0.00 H new ATOM 672 N GLY A 45 13.422 -4.165 -8.882 1.00 0.00 N ATOM 673 CA GLY A 45 14.112 -5.288 -8.265 1.00 0.00 C ATOM 674 C GLY A 45 13.169 -6.094 -7.373 1.00 0.00 C ATOM 675 O GLY A 45 12.794 -7.216 -7.713 1.00 0.00 O ATOM 0 H GLY A 45 12.616 -3.841 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.525 -5.934 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.952 -4.922 -7.674 1.00 0.00 H new ATOM 679 N PHE A 46 12.774 -5.533 -6.223 1.00 0.00 N ATOM 680 CA PHE A 46 11.950 -6.255 -5.255 1.00 0.00 C ATOM 681 C PHE A 46 10.505 -6.314 -5.752 1.00 0.00 C ATOM 682 O PHE A 46 9.633 -5.595 -5.269 1.00 0.00 O ATOM 683 CB PHE A 46 12.059 -5.641 -3.847 1.00 0.00 C ATOM 684 CG PHE A 46 11.160 -6.259 -2.778 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.849 -7.637 -2.786 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.558 -5.427 -1.813 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.887 -8.149 -1.895 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.615 -5.952 -0.911 1.00 0.00 C ATOM 689 CZ PHE A 46 9.255 -7.304 -0.974 1.00 0.00 C ATOM 0 H PHE A 46 13.013 -4.582 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 46 12.321 -7.276 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.094 -5.723 -3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.830 -4.578 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.350 -8.299 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.822 -4.381 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.635 -9.199 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.167 -5.310 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.493 -7.693 -0.315 1.00 0.00 H new ATOM 699 N THR A 47 10.241 -7.198 -6.711 1.00 0.00 N ATOM 700 CA THR A 47 8.907 -7.408 -7.251 1.00 0.00 C ATOM 701 C THR A 47 8.077 -8.352 -6.375 1.00 0.00 C ATOM 702 O THR A 47 7.328 -9.179 -6.888 1.00 0.00 O ATOM 703 CB THR A 47 8.995 -7.798 -8.732 1.00 0.00 C ATOM 704 OG1 THR A 47 7.722 -7.707 -9.349 1.00 0.00 O ATOM 705 CG2 THR A 47 9.636 -9.168 -8.953 1.00 0.00 C ATOM 0 H THR A 47 10.954 -7.791 -7.136 1.00 0.00 H new ATOM 0 HA THR A 47 8.349 -6.472 -7.222 1.00 0.00 H new ATOM 0 HB THR A 47 9.661 -7.080 -9.211 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.058 -8.173 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.669 -9.386 -10.020 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.649 -9.165 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.047 -9.932 -8.445 1.00 0.00 H new ATOM 713 N TYR A 48 8.145 -8.159 -5.051 1.00 0.00 N ATOM 714 CA TYR A 48 7.257 -8.796 -4.089 1.00 0.00 C ATOM 715 C TYR A 48 7.176 -10.329 -4.232 1.00 0.00 C ATOM 716 O TYR A 48 7.993 -10.956 -4.908 1.00 0.00 O ATOM 717 CB TYR A 48 5.905 -8.055 -4.049 1.00 0.00 C ATOM 718 CG TYR A 48 5.580 -7.104 -5.185 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.005 -5.769 -5.121 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.914 -7.565 -6.329 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.776 -4.901 -6.206 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.601 -6.679 -7.372 1.00 0.00 C ATOM 723 CZ TYR A 48 5.052 -5.355 -7.323 1.00 0.00 C ATOM 724 OH TYR A 48 4.840 -4.545 -8.403 1.00 0.00 O ATOM 0 H TYR A 48 8.834 -7.543 -4.618 1.00 0.00 H new ATOM 0 HA TYR A 48 7.693 -8.692 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.115 -8.804 -4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.861 -7.490 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.509 -5.406 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.640 -8.607 -6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.155 -3.890 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.013 -7.019 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 48 5.586 -3.916 -8.492 1.00 0.00 H new ATOM 734 N THR A 49 6.230 -10.956 -3.533 1.00 0.00 N ATOM 735 CA THR A 49 5.898 -12.364 -3.756 1.00 0.00 C ATOM 736 C THR A 49 5.296 -12.539 -5.149 1.00 0.00 C ATOM 737 O THR A 49 4.624 -11.637 -5.638 1.00 0.00 O ATOM 738 CB THR A 49 4.886 -12.888 -2.726 1.00 0.00 C ATOM 739 OG1 THR A 49 3.687 -12.141 -2.760 1.00 0.00 O ATOM 740 CG2 THR A 49 5.473 -12.929 -1.317 1.00 0.00 C ATOM 0 H THR A 49 5.677 -10.508 -2.803 1.00 0.00 H new ATOM 0 HA THR A 49 6.823 -12.931 -3.656 1.00 0.00 H new ATOM 0 HB THR A 49 4.649 -13.915 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.936 -12.716 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.723 -13.306 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.343 -13.586 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.773 -11.925 -1.018 1.00 0.00 H new ATOM 748 N ASP A 50 5.461 -13.722 -5.754 1.00 0.00 N ATOM 749 CA ASP A 50 4.832 -14.099 -7.019 1.00 0.00 C ATOM 750 C ASP A 50 3.327 -13.848 -7.012 1.00 0.00 C ATOM 751 O ASP A 50 2.784 -13.407 -8.012 1.00 0.00 O ATOM 752 CB ASP A 50 5.176 -15.552 -7.355 1.00 0.00 C ATOM 753 CG ASP A 50 4.932 -15.826 -8.828 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.777 -16.129 -9.181 1.00 0.00 O ATOM 755 OD2 ASP A 50 5.917 -15.683 -9.592 1.00 0.00 O ATOM 0 H ASP A 50 6.050 -14.459 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 50 5.233 -13.461 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.219 -15.752 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.571 -16.225 -6.748 1.00 0.00 H new ATOM 760 N ALA A 51 2.643 -14.034 -5.884 1.00 0.00 N ATOM 761 CA ALA A 51 1.217 -13.745 -5.811 1.00 0.00 C ATOM 762 C ALA A 51 0.900 -12.277 -6.123 1.00 0.00 C ATOM 763 O ALA A 51 -0.093 -11.992 -6.793 1.00 0.00 O ATOM 764 CB ALA A 51 0.685 -14.191 -4.446 1.00 0.00 C ATOM 0 H ALA A 51 3.052 -14.381 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 51 0.701 -14.313 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.382 -13.978 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.849 -15.262 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.209 -13.651 -3.657 1.00 0.00 H new ATOM 770 N ASN A 52 1.740 -11.341 -5.671 1.00 0.00 N ATOM 771 CA ASN A 52 1.577 -9.924 -5.988 1.00 0.00 C ATOM 772 C ASN A 52 2.239 -9.608 -7.340 1.00 0.00 C ATOM 773 O ASN A 52 1.773 -8.740 -8.076 1.00 0.00 O ATOM 774 CB ASN A 52 2.144 -9.079 -4.839 1.00 0.00 C ATOM 775 CG ASN A 52 1.747 -7.595 -4.846 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.502 -7.019 -3.792 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.664 -6.927 -5.994 1.00 0.00 N ATOM 0 H ASN A 52 2.546 -11.545 -5.080 1.00 0.00 H new ATOM 0 HA ASN A 52 0.520 -9.676 -6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.821 -9.518 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.232 -9.146 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.398 -5.942 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.866 -7.400 -6.875 1.00 0.00 H new ATOM 784 N LYS A 53 3.327 -10.290 -7.699 1.00 0.00 N ATOM 785 CA LYS A 53 4.047 -10.065 -8.946 1.00 0.00 C ATOM 786 C LYS A 53 3.125 -10.410 -10.107 1.00 0.00 C ATOM 787 O LYS A 53 3.016 -9.694 -11.097 1.00 0.00 O ATOM 788 CB LYS A 53 5.285 -10.937 -9.011 1.00 0.00 C ATOM 789 CG LYS A 53 6.210 -10.485 -10.152 1.00 0.00 C ATOM 790 CD LYS A 53 6.419 -11.630 -11.144 1.00 0.00 C ATOM 791 CE LYS A 53 7.171 -12.770 -10.444 1.00 0.00 C ATOM 792 NZ LYS A 53 6.994 -14.059 -11.138 1.00 0.00 N ATOM 0 H LYS A 53 3.736 -11.024 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 53 4.356 -9.021 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.820 -10.889 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.996 -11.977 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.777 -9.625 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.170 -10.164 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.458 -11.986 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.985 -11.281 -12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.233 -12.528 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.817 -12.860 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.334 -14.656 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.611 -13.891 -12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.912 -14.541 -11.215 1.00 0.00 H new ATOM 806 N ASN A 54 2.429 -11.528 -9.939 1.00 0.00 N ATOM 807 CA ASN A 54 1.460 -12.056 -10.865 1.00 0.00 C ATOM 808 C ASN A 54 0.296 -11.070 -11.044 1.00 0.00 C ATOM 809 O ASN A 54 -0.532 -11.240 -11.935 1.00 0.00 O ATOM 810 CB ASN A 54 0.943 -13.406 -10.350 1.00 0.00 C ATOM 811 CG ASN A 54 -0.094 -14.022 -11.284 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.175 -14.249 -12.459 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.291 -14.307 -10.774 1.00 0.00 N ATOM 0 H ASN A 54 2.537 -12.112 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 54 1.935 -12.201 -11.835 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.781 -14.094 -10.236 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.504 -13.272 -9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.011 -14.724 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.488 -14.108 -9.793 1.00 0.00 H new ATOM 820 N LYS A 55 0.165 -10.071 -10.156 1.00 0.00 N ATOM 821 CA LYS A 55 -1.067 -9.306 -10.058 1.00 0.00 C ATOM 822 C LYS A 55 -1.344 -8.515 -11.335 1.00 0.00 C ATOM 823 O LYS A 55 -2.508 -8.427 -11.731 1.00 0.00 O ATOM 824 CB LYS A 55 -1.062 -8.412 -8.813 1.00 0.00 C ATOM 825 CG LYS A 55 -2.452 -7.884 -8.439 1.00 0.00 C ATOM 826 CD LYS A 55 -3.391 -8.995 -7.939 1.00 0.00 C ATOM 827 CE LYS A 55 -4.671 -9.122 -8.782 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.422 -9.582 -10.169 1.00 0.00 N ATOM 0 H LYS A 55 0.896 -9.784 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.890 -10.012 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.656 -8.975 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.394 -7.568 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.352 -7.123 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.898 -7.399 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.859 -9.946 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.663 -8.795 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.351 -9.819 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.174 -8.155 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.306 -9.533 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.706 -8.973 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.080 -10.564 -10.153 1.00 0.00 H new ATOM 842 N GLY A 56 -0.293 -7.948 -11.938 1.00 0.00 N ATOM 843 CA GLY A 56 -0.305 -7.362 -13.275 1.00 0.00 C ATOM 844 C GLY A 56 -1.297 -6.212 -13.464 1.00 0.00 C ATOM 845 O GLY A 56 -1.825 -6.037 -14.558 1.00 0.00 O ATOM 0 H GLY A 56 0.620 -7.884 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.697 -7.000 -13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.536 -8.145 -13.997 1.00 0.00 H new ATOM 849 N ILE A 57 -1.543 -5.421 -12.415 1.00 0.00 N ATOM 850 CA ILE A 57 -2.380 -4.226 -12.488 1.00 0.00 C ATOM 851 C ILE A 57 -1.504 -2.965 -12.589 1.00 0.00 C ATOM 852 O ILE A 57 -0.416 -3.005 -13.160 1.00 0.00 O ATOM 853 CB ILE A 57 -3.362 -4.208 -11.306 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.624 -4.186 -9.959 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.344 -5.384 -11.382 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.435 -3.428 -8.919 1.00 0.00 C ATOM 0 H ILE A 57 -1.162 -5.596 -11.485 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.985 -4.242 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.940 -3.287 -11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.447 -5.206 -9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.648 -3.717 -10.080 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.026 -5.344 -10.532 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.915 -5.322 -12.309 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.790 -6.323 -11.359 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.897 -3.423 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.589 -2.402 -9.255 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.401 -3.915 -8.785 1.00 0.00 H new ATOM 868 N THR A 58 -1.949 -1.817 -12.066 1.00 0.00 N ATOM 869 CA THR A 58 -1.247 -0.550 -12.140 1.00 0.00 C ATOM 870 C THR A 58 -1.540 0.252 -10.859 1.00 0.00 C ATOM 871 O THR A 58 -1.691 1.469 -10.910 1.00 0.00 O ATOM 872 CB THR A 58 -1.697 0.099 -13.464 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.269 -0.701 -14.552 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.160 1.501 -13.703 1.00 0.00 C ATOM 0 H THR A 58 -2.836 -1.752 -11.566 1.00 0.00 H new ATOM 0 HA THR A 58 -0.160 -0.627 -12.167 1.00 0.00 H new ATOM 0 HB THR A 58 -2.782 0.172 -13.388 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.556 -0.289 -15.394 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.530 1.874 -14.658 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.494 2.160 -12.902 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.070 1.475 -13.721 1.00 0.00 H new ATOM 882 N TRP A 59 -1.648 -0.458 -9.722 1.00 0.00 N ATOM 883 CA TRP A 59 -2.118 0.024 -8.422 1.00 0.00 C ATOM 884 C TRP A 59 -3.018 1.245 -8.557 1.00 0.00 C ATOM 885 O TRP A 59 -2.573 2.371 -8.388 1.00 0.00 O ATOM 886 CB TRP A 59 -0.950 0.247 -7.452 1.00 0.00 C ATOM 887 CG TRP A 59 -0.422 -1.003 -6.822 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.820 -1.506 -6.988 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.109 -1.924 -5.917 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.924 -2.706 -6.316 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.244 -3.027 -5.655 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.376 -1.945 -5.292 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.634 -4.112 -4.855 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.735 -2.983 -4.410 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.875 -4.073 -4.204 1.00 0.00 C ATOM 0 H TRP A 59 -1.392 -1.445 -9.690 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.740 -0.758 -7.986 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.139 0.740 -7.987 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.273 0.928 -6.664 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.610 -1.041 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.763 -3.286 -6.309 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.081 -1.152 -5.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.015 -4.968 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.680 -2.940 -3.888 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.168 -4.878 -3.547 1.00 0.00 H new ATOM 906 N LYS A 60 -4.289 1.020 -8.888 1.00 0.00 N ATOM 907 CA LYS A 60 -5.264 2.102 -8.913 1.00 0.00 C ATOM 908 C LYS A 60 -6.060 2.107 -7.611 1.00 0.00 C ATOM 909 O LYS A 60 -6.081 1.105 -6.889 1.00 0.00 O ATOM 910 CB LYS A 60 -6.179 2.008 -10.140 1.00 0.00 C ATOM 911 CG LYS A 60 -6.810 0.623 -10.326 1.00 0.00 C ATOM 912 CD LYS A 60 -6.099 -0.230 -11.386 1.00 0.00 C ATOM 913 CE LYS A 60 -6.548 0.129 -12.813 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.958 -0.242 -13.079 1.00 0.00 N ATOM 0 H LYS A 60 -4.662 0.105 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.733 3.050 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.972 2.751 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.605 2.260 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.795 0.093 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.856 0.743 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.021 -0.091 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.301 -1.284 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.423 1.200 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.902 -0.376 -13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.164 -0.121 -14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.112 -1.235 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.589 0.369 -12.522 1.00 0.00 H new ATOM 928 N GLU A 61 -6.744 3.231 -7.367 1.00 0.00 N ATOM 929 CA GLU A 61 -7.658 3.457 -6.241 1.00 0.00 C ATOM 930 C GLU A 61 -8.518 2.230 -6.009 1.00 0.00 C ATOM 931 O GLU A 61 -8.626 1.726 -4.893 1.00 0.00 O ATOM 932 CB GLU A 61 -8.476 4.749 -6.476 1.00 0.00 C ATOM 933 CG GLU A 61 -7.835 5.949 -5.758 1.00 0.00 C ATOM 934 CD GLU A 61 -8.282 7.305 -6.284 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.629 7.819 -7.215 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.218 7.888 -5.696 1.00 0.00 O ATOM 0 H GLU A 61 -6.672 4.045 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.091 3.611 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.540 4.953 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.495 4.608 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.070 5.889 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.751 5.876 -5.850 1.00 0.00 H new ATOM 943 N GLU A 62 -9.060 1.726 -7.106 1.00 0.00 N ATOM 944 CA GLU A 62 -9.967 0.611 -7.088 1.00 0.00 C ATOM 945 C GLU A 62 -9.326 -0.593 -6.382 1.00 0.00 C ATOM 946 O GLU A 62 -9.834 -1.139 -5.402 1.00 0.00 O ATOM 947 CB GLU A 62 -10.374 0.263 -8.538 1.00 0.00 C ATOM 948 CG GLU A 62 -10.488 1.458 -9.507 1.00 0.00 C ATOM 949 CD GLU A 62 -10.863 0.986 -10.908 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.964 0.407 -11.562 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.018 1.217 -11.312 1.00 0.00 O ATOM 0 H GLU A 62 -8.874 2.091 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.863 0.877 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.645 -0.440 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.334 -0.253 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.239 2.158 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.541 1.996 -9.541 1.00 0.00 H new ATOM 958 N THR A 63 -8.166 -0.994 -6.900 1.00 0.00 N ATOM 959 CA THR A 63 -7.461 -2.186 -6.476 1.00 0.00 C ATOM 960 C THR A 63 -6.862 -1.999 -5.086 1.00 0.00 C ATOM 961 O THR A 63 -6.844 -2.933 -4.286 1.00 0.00 O ATOM 962 CB THR A 63 -6.404 -2.526 -7.530 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.645 -1.384 -7.909 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.108 -3.068 -8.781 1.00 0.00 C ATOM 0 H THR A 63 -7.686 -0.483 -7.641 1.00 0.00 H new ATOM 0 HA THR A 63 -8.152 -3.025 -6.395 1.00 0.00 H new ATOM 0 HB THR A 63 -5.728 -3.264 -7.098 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.859 -0.636 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.364 -3.314 -9.539 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.672 -3.964 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.789 -2.312 -9.172 1.00 0.00 H new ATOM 972 N LEU A 64 -6.375 -0.791 -4.791 1.00 0.00 N ATOM 973 CA LEU A 64 -5.909 -0.447 -3.467 1.00 0.00 C ATOM 974 C LEU A 64 -7.034 -0.629 -2.456 1.00 0.00 C ATOM 975 O LEU A 64 -6.818 -1.227 -1.408 1.00 0.00 O ATOM 976 CB LEU A 64 -5.380 0.994 -3.469 1.00 0.00 C ATOM 977 CG LEU A 64 -3.857 1.051 -3.263 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.204 1.856 -4.385 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.564 1.696 -1.909 1.00 0.00 C ATOM 0 H LEU A 64 -6.297 -0.033 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.093 -1.109 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.636 1.472 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.874 1.562 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.446 0.042 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.126 1.890 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.417 1.383 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.603 2.871 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.486 1.741 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.976 2.705 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.021 1.103 -1.117 1.00 0.00 H new ATOM 991 N MET A 65 -8.234 -0.138 -2.761 1.00 0.00 N ATOM 992 CA MET A 65 -9.355 -0.243 -1.854 1.00 0.00 C ATOM 993 C MET A 65 -9.663 -1.715 -1.569 1.00 0.00 C ATOM 994 O MET A 65 -9.821 -2.094 -0.409 1.00 0.00 O ATOM 995 CB MET A 65 -10.543 0.531 -2.433 1.00 0.00 C ATOM 996 CG MET A 65 -11.570 0.799 -1.334 1.00 0.00 C ATOM 997 SD MET A 65 -12.826 2.055 -1.681 1.00 0.00 S ATOM 998 CE MET A 65 -11.787 3.531 -1.820 1.00 0.00 C ATOM 0 H MET A 65 -8.447 0.338 -3.638 1.00 0.00 H new ATOM 0 HA MET A 65 -9.118 0.208 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.201 1.473 -2.862 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.002 -0.039 -3.241 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.079 -0.138 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.034 1.095 -0.432 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.405 4.422 -1.713 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.030 3.518 -1.036 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.299 3.542 -2.795 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.703 -2.537 -2.623 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.903 -3.980 -2.514 1.00 0.00 C ATOM 1010 C GLU A 66 -8.867 -4.604 -1.561 1.00 0.00 C ATOM 1011 O GLU A 66 -9.203 -5.320 -0.616 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.819 -4.603 -3.922 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.691 -5.859 -4.067 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.112 -5.528 -4.513 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.676 -4.559 -3.963 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.596 -6.244 -5.416 1.00 0.00 O ATOM 0 H GLU A 66 -9.596 -2.213 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.888 -4.183 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.128 -3.864 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.782 -4.858 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.234 -6.535 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.725 -6.387 -3.114 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.586 -4.321 -1.816 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.462 -4.864 -1.059 1.00 0.00 C ATOM 1025 C TYR A 67 -6.580 -4.486 0.407 1.00 0.00 C ATOM 1026 O TYR A 67 -6.608 -5.356 1.267 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.160 -4.340 -1.672 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.879 -4.929 -1.111 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.718 -6.322 -0.994 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.779 -4.092 -0.868 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.476 -6.878 -0.657 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.528 -4.651 -0.571 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.370 -6.041 -0.468 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.151 -6.587 -0.212 1.00 0.00 O ATOM 0 H TYR A 67 -7.299 -3.696 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.465 -5.953 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.184 -4.529 -2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.128 -3.259 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.563 -6.972 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.896 -3.019 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.373 -7.947 -0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.676 -4.004 -0.420 1.00 0.00 H new ATOM 0 HH TYR A 67 0.202 -6.222 0.626 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.651 -3.195 0.706 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.739 -2.739 2.083 1.00 0.00 C ATOM 1046 C LEU A 68 -8.001 -3.269 2.772 1.00 0.00 C ATOM 1047 O LEU A 68 -7.945 -3.564 3.964 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.607 -1.211 2.177 1.00 0.00 C ATOM 1049 CG LEU A 68 -5.153 -0.695 2.191 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.344 -1.271 3.361 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.392 -0.964 0.891 1.00 0.00 C ATOM 0 H LEU A 68 -6.649 -2.447 0.012 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.893 -3.157 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.131 -0.761 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.109 -0.870 3.083 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.253 0.384 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.328 -0.879 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.813 -0.986 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.316 -2.358 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.378 -0.573 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.353 -2.038 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.902 -0.473 0.062 1.00 0.00 H new ATOM 1063 N GLU A 69 -9.120 -3.429 2.050 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.304 -4.060 2.625 1.00 0.00 C ATOM 1065 C GLU A 69 -9.984 -5.497 3.050 1.00 0.00 C ATOM 1066 O GLU A 69 -10.341 -5.906 4.154 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.506 -4.022 1.659 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.827 -4.244 2.421 1.00 0.00 C ATOM 1069 CD GLU A 69 -14.033 -4.432 1.503 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.242 -5.583 1.076 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.743 -3.422 1.264 1.00 0.00 O ATOM 0 H GLU A 69 -9.224 -3.132 1.080 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.590 -3.488 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.535 -3.062 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.388 -4.790 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.726 -5.121 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.008 -3.392 3.076 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.349 -6.283 2.170 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.163 -7.710 2.413 1.00 0.00 C ATOM 1080 C ASN A 70 -7.912 -8.239 1.700 1.00 0.00 C ATOM 1081 O ASN A 70 -8.018 -8.920 0.683 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.420 -8.451 1.937 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.680 -9.792 2.627 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.745 -10.377 2.453 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -9.741 -10.333 3.405 1.00 0.00 N ATOM 0 H ASN A 70 -8.959 -5.951 1.288 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.015 -7.880 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.285 -7.806 2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.338 -8.622 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.908 -11.233 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.856 -9.847 3.549 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.707 -7.993 2.223 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.490 -8.142 1.439 1.00 0.00 C ATOM 1094 C PRO A 71 -5.223 -9.604 1.093 1.00 0.00 C ATOM 1095 O PRO A 71 -4.919 -9.949 -0.049 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.380 -7.492 2.268 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.928 -7.503 3.697 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.444 -7.412 3.522 1.00 0.00 C ATOM 0 HA PRO A 71 -5.563 -7.652 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.447 -8.051 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.171 -6.477 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.643 -8.413 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.544 -6.664 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.965 -7.955 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.785 -6.378 3.568 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.405 -10.465 2.095 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.284 -11.909 1.994 1.00 0.00 C ATOM 1108 C LYS A 72 -6.333 -12.520 1.048 1.00 0.00 C ATOM 1109 O LYS A 72 -6.226 -13.697 0.709 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.376 -12.461 3.425 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.950 -13.928 3.557 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.866 -14.365 5.031 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.643 -13.766 5.751 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.523 -14.246 7.144 1.00 0.00 N ATOM 0 H LYS A 72 -5.651 -10.156 3.036 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.329 -12.184 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.752 -11.852 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.402 -12.358 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.662 -14.563 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.981 -14.070 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.775 -14.061 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.818 -15.453 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.738 -14.023 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.719 -12.679 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.686 -13.817 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.374 -13.978 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.424 -15.281 7.147 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.356 -11.753 0.644 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.354 -12.176 -0.327 1.00 0.00 C ATOM 1130 C LYS A 73 -7.941 -11.658 -1.704 1.00 0.00 C ATOM 1131 O LYS A 73 -7.841 -12.443 -2.644 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.725 -11.644 0.102 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.926 -12.351 -0.541 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.580 -13.302 0.472 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.881 -13.895 -0.084 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.594 -14.700 0.932 1.00 0.00 N ATOM 0 H LYS A 73 -7.508 -10.807 0.994 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.422 -13.263 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.809 -11.731 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.777 -10.582 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.653 -11.614 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.602 -12.909 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.887 -14.106 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.788 -12.765 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.529 -13.090 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.656 -14.518 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.468 -15.084 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.985 -15.483 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.831 -14.099 1.747 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.694 -10.345 -1.822 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.235 -9.726 -3.057 1.00 0.00 C ATOM 1152 C TYR A 74 -6.065 -10.483 -3.697 1.00 0.00 C ATOM 1153 O TYR A 74 -6.084 -10.735 -4.902 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.837 -8.282 -2.751 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.336 -7.503 -3.952 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.211 -7.215 -5.013 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -4.974 -7.171 -4.064 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -6.723 -6.612 -6.185 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.491 -6.538 -5.218 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.365 -6.276 -6.283 1.00 0.00 C ATOM 1161 OH TYR A 74 -4.863 -5.827 -7.464 1.00 0.00 O ATOM 0 H TYR A 74 -7.810 -9.685 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.048 -9.755 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.697 -7.762 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.060 -8.286 -1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.260 -7.457 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.296 -7.405 -3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.392 -6.408 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.451 -6.254 -5.286 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.907 -5.638 -7.362 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.038 -10.815 -2.904 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.899 -11.612 -3.360 1.00 0.00 C ATOM 1173 C ILE A 75 -3.893 -12.959 -2.621 1.00 0.00 C ATOM 1174 O ILE A 75 -3.895 -12.969 -1.387 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.585 -10.826 -3.176 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.487 -9.751 -4.273 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.361 -11.743 -3.311 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.532 -8.616 -3.897 1.00 0.00 C ATOM 0 H ILE A 75 -4.977 -10.536 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.990 -11.820 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.595 -10.384 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.150 -10.213 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.478 -9.339 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.451 -11.158 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.406 -12.524 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.355 -12.199 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.500 -7.885 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.882 -8.133 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.533 -9.020 -3.733 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.848 -14.098 -3.338 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.839 -15.420 -2.731 1.00 0.00 C ATOM 1192 C PRO A 76 -2.469 -15.709 -2.106 1.00 0.00 C ATOM 1193 O PRO A 76 -1.671 -16.462 -2.659 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.184 -16.386 -3.871 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.591 -15.694 -5.096 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.834 -14.215 -4.793 1.00 0.00 C ATOM 0 HA PRO A 76 -4.556 -15.518 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.746 -17.371 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.260 -16.528 -3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.530 -15.915 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.085 -16.006 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.050 -13.594 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.779 -13.880 -5.220 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.205 -15.117 -0.940 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.996 -15.376 -0.171 1.00 0.00 C ATOM 1206 C GLY A 77 0.093 -14.361 -0.507 1.00 0.00 C ATOM 1207 O GLY A 77 1.133 -14.702 -1.064 1.00 0.00 O ATOM 0 H GLY A 77 -2.831 -14.440 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.222 -15.333 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.636 -16.383 -0.380 1.00 0.00 H new ATOM 1211 N THR A 78 -0.148 -13.104 -0.130 1.00 0.00 N ATOM 1212 CA THR A 78 0.868 -12.068 -0.109 1.00 0.00 C ATOM 1213 C THR A 78 1.793 -12.317 1.089 1.00 0.00 C ATOM 1214 O THR A 78 1.414 -12.990 2.048 1.00 0.00 O ATOM 1215 CB THR A 78 0.199 -10.679 -0.060 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.150 -9.672 0.207 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.917 -10.564 0.987 1.00 0.00 C ATOM 0 H THR A 78 -1.067 -12.780 0.172 1.00 0.00 H new ATOM 0 HA THR A 78 1.471 -12.096 -1.016 1.00 0.00 H new ATOM 0 HB THR A 78 -0.248 -10.548 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.829 -9.667 -0.500 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.338 -9.559 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.699 -11.291 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.508 -10.760 1.978 1.00 0.00 H new ATOM 1225 N LYS A 79 2.996 -11.742 1.047 1.00 0.00 N ATOM 1226 CA LYS A 79 3.849 -11.620 2.222 1.00 0.00 C ATOM 1227 C LYS A 79 3.219 -10.662 3.238 1.00 0.00 C ATOM 1228 O LYS A 79 3.559 -10.725 4.415 1.00 0.00 O ATOM 1229 CB LYS A 79 5.237 -11.085 1.830 1.00 0.00 C ATOM 1230 CG LYS A 79 6.405 -12.014 2.170 1.00 0.00 C ATOM 1231 CD LYS A 79 7.712 -11.297 1.794 1.00 0.00 C ATOM 1232 CE LYS A 79 8.945 -12.071 2.278 1.00 0.00 C ATOM 1233 NZ LYS A 79 10.203 -11.366 1.947 1.00 0.00 N ATOM 0 H LYS A 79 3.402 -11.350 0.198 1.00 0.00 H new ATOM 0 HA LYS A 79 3.954 -12.610 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.246 -10.891 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.396 -10.128 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.398 -12.261 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.316 -12.953 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.761 -11.174 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.716 -10.297 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.883 -12.216 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.953 -13.062 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.013 -11.921 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.275 -11.250 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.207 -10.431 2.401 1.00 0.00 H new ATOM 1247 N MET A 80 2.378 -9.727 2.783 1.00 0.00 N ATOM 1248 CA MET A 80 1.799 -8.702 3.630 1.00 0.00 C ATOM 1249 C MET A 80 0.928 -9.329 4.714 1.00 0.00 C ATOM 1250 O MET A 80 0.200 -10.295 4.481 1.00 0.00 O ATOM 1251 CB MET A 80 1.005 -7.735 2.759 1.00 0.00 C ATOM 1252 CG MET A 80 0.334 -6.573 3.491 1.00 0.00 C ATOM 1253 SD MET A 80 0.281 -5.068 2.492 1.00 0.00 S ATOM 1254 CE MET A 80 -1.410 -4.446 2.734 1.00 0.00 C ATOM 0 H MET A 80 2.084 -9.668 1.808 1.00 0.00 H new ATOM 0 HA MET A 80 2.590 -8.150 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.674 -7.325 2.003 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.236 -8.299 2.232 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.681 -6.859 3.767 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.872 -6.372 4.418 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.545 -3.527 2.164 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.125 -5.194 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.575 -4.244 3.792 1.00 0.00 H new ATOM 1264 N ILE A 81 1.014 -8.753 5.908 1.00 0.00 N ATOM 1265 CA ILE A 81 0.382 -9.239 7.117 1.00 0.00 C ATOM 1266 C ILE A 81 -0.521 -8.111 7.594 1.00 0.00 C ATOM 1267 O ILE A 81 -0.086 -7.231 8.333 1.00 0.00 O ATOM 1268 CB ILE A 81 1.465 -9.599 8.148 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.527 -10.570 7.600 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.841 -10.144 9.440 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.989 -11.959 7.238 1.00 0.00 C ATOM 0 H ILE A 81 1.550 -7.899 6.060 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.205 -10.143 6.957 1.00 0.00 H new ATOM 0 HB ILE A 81 1.986 -8.669 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.983 -10.128 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.317 -10.682 8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.631 -10.390 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.185 -9.389 9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.263 -11.041 9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.803 -12.578 6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.560 -12.425 8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.221 -11.863 6.471 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.766 -8.093 7.118 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.699 -7.035 7.453 1.00 0.00 C ATOM 1285 C PHE A 82 -4.132 -7.532 7.289 1.00 0.00 C ATOM 1286 O PHE A 82 -4.348 -8.597 6.709 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.401 -5.796 6.595 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.693 -4.515 7.333 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.817 -4.120 8.359 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.910 -3.839 7.146 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.157 -3.060 9.210 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.270 -2.804 8.024 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.401 -2.427 9.065 1.00 0.00 C ATOM 0 H PHE A 82 -2.146 -8.807 6.496 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.580 -6.745 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.354 -5.809 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.998 -5.834 5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.878 -4.636 8.492 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.565 -4.114 6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.466 -2.732 9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.215 -2.296 7.900 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.692 -1.648 9.754 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.097 -6.778 7.824 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.506 -7.150 7.827 1.00 0.00 C ATOM 1305 C ALA A 83 -7.407 -5.941 8.086 1.00 0.00 C ATOM 1306 O ALA A 83 -8.406 -5.768 7.397 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.749 -8.229 8.886 1.00 0.00 C ATOM 0 H ALA A 83 -4.914 -5.880 8.272 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.758 -7.541 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.803 -8.507 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.143 -9.106 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.474 -7.844 9.868 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.082 -5.118 9.088 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.893 -3.972 9.461 1.00 0.00 C ATOM 1315 C GLY A 84 -7.062 -3.006 10.299 1.00 0.00 C ATOM 1316 O GLY A 84 -5.985 -3.370 10.767 1.00 0.00 O ATOM 0 H GLY A 84 -6.246 -5.235 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.262 -3.469 8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.766 -4.300 10.025 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.553 -1.772 10.453 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.798 -0.650 11.012 1.00 0.00 C ATOM 1322 C ILE A 85 -7.662 0.247 11.911 1.00 0.00 C ATOM 1323 O ILE A 85 -7.162 0.759 12.915 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.113 0.116 9.863 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.213 1.245 10.380 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -7.128 0.680 8.879 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -4.160 1.659 9.347 1.00 0.00 C ATOM 0 H ILE A 85 -8.505 -1.522 10.187 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.023 -1.034 11.675 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.488 -0.611 9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.827 2.108 10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.716 0.922 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.607 1.213 8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.710 -0.135 8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.796 1.367 9.399 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.545 2.461 9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.528 0.803 9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.656 2.008 8.441 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.946 0.437 11.567 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.940 1.098 12.389 1.00 0.00 C ATOM 1341 C LYS A 86 -11.317 0.453 12.164 1.00 0.00 C ATOM 1342 O LYS A 86 -11.784 -0.278 13.033 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.921 2.617 12.139 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.133 3.297 12.779 1.00 0.00 C ATOM 1345 CD LYS A 86 -11.015 4.826 12.821 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.199 5.300 14.031 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.197 6.774 14.141 1.00 0.00 N ATOM 0 H LYS A 86 -9.321 0.118 10.674 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.702 0.964 13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.004 3.044 12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.915 2.812 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.030 3.023 12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.259 2.921 13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.544 5.180 11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.011 5.267 12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.612 4.867 14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.174 4.940 13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.637 7.060 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.780 7.186 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.173 7.115 14.249 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.997 0.748 11.046 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.386 0.336 10.844 1.00 0.00 C ATOM 1363 C LYS A 87 -13.844 0.531 9.390 1.00 0.00 C ATOM 1364 O LYS A 87 -14.269 -0.431 8.754 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.312 1.100 11.814 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.716 0.484 11.912 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.770 -0.652 12.944 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.180 -1.265 12.982 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.338 -2.248 14.075 1.00 0.00 N ATOM 0 H LYS A 87 -11.601 1.273 10.267 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.447 -0.731 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.858 1.116 12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.398 2.136 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.434 1.257 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.014 0.102 10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.038 -1.419 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.504 -0.271 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.916 -0.470 13.103 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.388 -1.750 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.304 -2.633 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.655 -3.022 13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.166 -1.782 14.989 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.852 1.784 8.913 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.210 2.153 7.542 1.00 0.00 C ATOM 1385 C LYS A 88 -13.526 3.464 7.129 1.00 0.00 C ATOM 1386 O LYS A 88 -12.984 3.552 6.035 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.733 2.282 7.350 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.476 0.951 7.115 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.304 0.474 8.323 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.781 0.234 7.964 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.974 -0.949 7.098 1.00 0.00 N ATOM 0 H LYS A 88 -13.602 2.588 9.488 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.858 1.344 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.155 2.766 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.923 2.941 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.137 1.063 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.748 0.181 6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.873 -0.448 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.242 1.217 9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.357 0.106 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.176 1.116 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.986 -1.064 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.448 -0.819 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.624 -1.798 7.587 1.00 0.00 H new ATOM 1405 N THR A 89 -13.573 4.501 7.976 1.00 0.00 N ATOM 1406 CA THR A 89 -13.029 5.832 7.703 1.00 0.00 C ATOM 1407 C THR A 89 -11.589 5.755 7.185 1.00 0.00 C ATOM 1408 O THR A 89 -11.232 6.372 6.181 1.00 0.00 O ATOM 1409 CB THR A 89 -13.106 6.636 9.009 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.282 6.266 9.710 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.097 8.145 8.762 1.00 0.00 C ATOM 0 H THR A 89 -14.005 4.431 8.898 1.00 0.00 H new ATOM 0 HA THR A 89 -13.609 6.320 6.920 1.00 0.00 H new ATOM 0 HB THR A 89 -12.221 6.404 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.052 5.640 10.428 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.153 8.670 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.177 8.424 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.954 8.418 8.147 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.801 4.925 7.869 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.477 4.488 7.480 1.00 0.00 C ATOM 1421 C GLU A 90 -9.352 4.201 5.992 1.00 0.00 C ATOM 1422 O GLU A 90 -8.398 4.616 5.347 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.109 3.244 8.282 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.173 2.139 8.477 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.321 1.165 7.321 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.310 0.919 6.634 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.458 0.677 7.175 1.00 0.00 O ATOM 0 H GLU A 90 -11.094 4.522 8.759 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.789 5.306 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.243 2.787 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.789 3.572 9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.925 1.574 9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.138 2.615 8.655 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.327 3.481 5.460 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.314 2.998 4.094 1.00 0.00 C ATOM 1436 C ARG A 91 -10.360 4.151 3.097 1.00 0.00 C ATOM 1437 O ARG A 91 -9.999 3.969 1.939 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.477 2.022 3.890 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.136 0.948 2.853 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.753 -0.374 3.304 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.222 -0.308 3.305 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.969 -0.899 2.365 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.443 -1.212 1.182 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.226 -1.265 2.611 1.00 0.00 N ATOM 0 H ARG A 91 -11.164 3.213 5.978 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.379 2.468 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.725 1.547 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.362 2.571 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.521 1.231 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.055 0.847 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.424 -1.175 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.398 -0.620 4.305 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.689 0.208 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.464 -1.001 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.019 -1.662 0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.636 -1.096 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.779 -1.714 1.881 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.792 5.332 3.550 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.695 6.563 2.797 1.00 0.00 C ATOM 1460 C GLU A 92 -9.407 7.302 3.197 1.00 0.00 C ATOM 1461 O GLU A 92 -8.674 7.756 2.329 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.971 7.378 3.046 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.245 8.378 1.910 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.755 7.671 0.660 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.859 7.097 0.759 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.036 7.737 -0.357 1.00 0.00 O ATOM 0 H GLU A 92 -11.224 5.450 4.466 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.625 6.380 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.820 6.702 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.879 7.917 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.979 9.113 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.331 8.923 1.674 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.124 7.444 4.498 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.985 8.211 5.017 1.00 0.00 C ATOM 1475 C ASP A 93 -6.665 7.738 4.401 1.00 0.00 C ATOM 1476 O ASP A 93 -5.910 8.518 3.832 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.873 8.089 6.550 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.858 8.915 7.358 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.823 10.155 7.187 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.614 8.305 8.143 1.00 0.00 O ATOM 0 H ASP A 93 -9.691 7.021 5.233 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.166 9.251 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.000 7.041 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.863 8.374 6.844 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.372 6.447 4.520 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.218 5.790 3.919 1.00 0.00 C ATOM 1487 C LEU A 94 -5.135 6.136 2.438 1.00 0.00 C ATOM 1488 O LEU A 94 -4.107 6.603 1.942 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.384 4.272 4.089 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.961 3.720 5.464 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.572 3.110 5.317 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.927 4.729 6.618 1.00 0.00 C ATOM 0 H LEU A 94 -6.955 5.806 5.058 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.302 6.126 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.429 4.015 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.801 3.769 3.318 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.731 3.000 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.247 2.710 6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.604 2.306 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.871 3.877 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.616 4.225 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.221 5.526 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.921 5.155 6.758 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.249 5.936 1.739 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.344 6.137 0.307 1.00 0.00 C ATOM 1506 C ILE A 95 -6.441 7.639 -0.008 1.00 0.00 C ATOM 1507 O ILE A 95 -6.516 8.006 -1.176 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.510 5.285 -0.248 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.476 3.832 0.279 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.543 5.254 -1.786 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.184 3.074 -0.030 1.00 0.00 C ATOM 0 H ILE A 95 -7.122 5.625 2.164 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.444 5.793 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.414 5.776 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.624 3.847 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.315 3.284 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.381 4.642 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.660 6.268 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.612 4.830 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.248 2.065 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.042 3.022 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.340 3.594 0.423 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.372 8.525 0.998 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.332 9.960 0.787 1.00 0.00 C ATOM 1525 C ALA A 96 -4.875 10.385 0.909 1.00 0.00 C ATOM 1526 O ALA A 96 -4.363 11.104 0.055 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.240 10.668 1.795 1.00 0.00 C ATOM 0 H ALA A 96 -6.343 8.253 1.981 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.707 10.236 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.201 11.744 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.265 10.318 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.902 10.447 2.807 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.183 9.881 1.936 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.757 10.084 2.058 1.00 0.00 C ATOM 1535 C TYR A 97 -2.033 9.541 0.844 1.00 0.00 C ATOM 1536 O TYR A 97 -1.337 10.299 0.184 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.172 9.448 3.320 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.642 9.471 3.373 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.083 10.552 2.827 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.071 8.414 3.965 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.467 10.668 3.031 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.472 8.493 4.094 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.168 9.631 3.656 1.00 0.00 C ATOM 1544 OH TYR A 97 3.494 9.798 3.918 1.00 0.00 O ATOM 0 H TYR A 97 -4.598 9.331 2.689 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.609 11.161 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.564 9.969 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.513 8.415 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.434 11.300 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.455 7.541 4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.989 11.556 2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.016 7.670 4.534 1.00 0.00 H new ATOM 0 HH TYR A 97 4.001 9.058 3.523 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.127 8.241 0.565 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.243 7.628 -0.424 1.00 0.00 C ATOM 1556 C LEU A 98 -1.411 8.255 -1.808 1.00 0.00 C ATOM 1557 O LEU A 98 -0.479 8.280 -2.618 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.430 6.111 -0.439 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.102 5.506 0.934 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.431 4.011 0.911 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.357 5.735 1.353 1.00 0.00 C ATOM 0 H LEU A 98 -2.793 7.603 1.001 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.213 7.828 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.457 5.870 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.786 5.668 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.714 6.014 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.201 3.573 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.490 3.875 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.836 3.519 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.530 5.286 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.022 5.277 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.557 6.805 1.405 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.599 8.813 -2.041 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.957 9.492 -3.274 1.00 0.00 C ATOM 1575 C LYS A 99 -2.053 10.696 -3.543 1.00 0.00 C ATOM 1576 O LYS A 99 -1.867 11.095 -4.689 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.439 9.860 -3.186 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.090 10.027 -4.558 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.602 10.186 -4.357 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.265 10.717 -5.634 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.724 10.489 -5.625 1.00 0.00 N ATOM 0 H LYS A 99 -3.355 8.802 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.803 8.835 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.968 9.087 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.546 10.787 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.681 10.899 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.879 9.162 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.041 9.226 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.794 10.870 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.064 11.784 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.825 10.228 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.104 10.637 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.921 9.514 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.175 11.155 -4.966 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.485 11.255 -2.477 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.505 12.296 -2.467 1.00 0.00 C ATOM 1597 C LYS A 100 0.875 11.675 -2.200 1.00 0.00 C ATOM 1598 O LYS A 100 1.843 12.152 -2.767 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.957 13.328 -1.417 1.00 0.00 C ATOM 1600 CG LYS A 100 0.238 13.935 -0.694 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.014 15.358 -0.192 1.00 0.00 C ATOM 1602 CE LYS A 100 1.334 15.990 0.192 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.202 17.415 0.555 1.00 0.00 N ATOM 0 H LYS A 100 -1.729 10.956 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.414 12.816 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.531 14.117 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.619 12.850 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.502 13.301 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.095 13.942 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.503 15.951 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.683 15.342 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.764 15.442 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.029 15.893 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.136 17.797 0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.817 17.945 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.560 17.508 1.368 1.00 0.00 H new ATOM 1617 N ALA A 101 1.008 10.668 -1.329 1.00 0.00 N ATOM 1618 CA ALA A 101 2.308 10.157 -0.897 1.00 0.00 C ATOM 1619 C ALA A 101 3.128 9.676 -2.090 1.00 0.00 C ATOM 1620 O ALA A 101 4.335 9.875 -2.170 1.00 0.00 O ATOM 1621 CB ALA A 101 2.148 9.009 0.101 1.00 0.00 C ATOM 0 H ALA A 101 0.215 10.186 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 101 2.832 10.979 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.132 8.650 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.605 9.362 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.593 8.195 -0.366 1.00 0.00 H new ATOM 1627 N THR A 102 2.440 9.030 -3.029 1.00 0.00 N ATOM 1628 CA THR A 102 3.040 8.569 -4.270 1.00 0.00 C ATOM 1629 C THR A 102 3.643 9.713 -5.095 1.00 0.00 C ATOM 1630 O THR A 102 4.525 9.495 -5.920 1.00 0.00 O ATOM 1631 CB THR A 102 1.973 7.828 -5.073 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.779 8.588 -5.126 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.678 6.484 -4.414 1.00 0.00 C ATOM 0 H THR A 102 1.447 8.813 -2.946 1.00 0.00 H new ATOM 0 HA THR A 102 3.868 7.903 -4.028 1.00 0.00 H new ATOM 0 HB THR A 102 2.345 7.673 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.235 8.398 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.916 5.957 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.589 5.886 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.318 6.648 -3.398 1.00 0.00 H new ATOM 1641 N ASN A 103 3.140 10.930 -4.895 1.00 0.00 N ATOM 1642 CA ASN A 103 3.602 12.147 -5.538 1.00 0.00 C ATOM 1643 C ASN A 103 3.846 13.222 -4.473 1.00 0.00 C ATOM 1644 O ASN A 103 3.247 14.297 -4.540 1.00 0.00 O ATOM 1645 CB ASN A 103 2.536 12.570 -6.560 1.00 0.00 C ATOM 1646 CG ASN A 103 2.948 13.789 -7.382 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.127 14.034 -7.614 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.970 14.550 -7.868 1.00 0.00 N ATOM 0 H ASN A 103 2.366 11.096 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 103 4.546 11.994 -6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.334 11.736 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.605 12.789 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.193 15.359 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.997 14.325 -7.660 1.00 0.00 H new ATOM 1655 N GLU A 104 4.701 12.924 -3.484 1.00 0.00 N ATOM 1656 CA GLU A 104 5.259 13.918 -2.578 1.00 0.00 C ATOM 1657 C GLU A 104 6.772 13.980 -2.794 1.00 0.00 C ATOM 1658 O GLU A 104 7.352 15.037 -2.459 1.00 0.00 O ATOM 1659 CB GLU A 104 4.840 13.696 -1.108 1.00 0.00 C ATOM 1660 CG GLU A 104 5.458 12.528 -0.310 1.00 0.00 C ATOM 1661 CD GLU A 104 5.594 12.888 1.167 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.638 13.506 1.697 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.647 12.547 1.746 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.310 12.986 -3.334 1.00 0.00 O ATOM 0 H GLU A 104 5.023 11.975 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 104 4.842 14.897 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.058 14.615 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.758 13.566 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.835 11.640 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.437 12.281 -0.720 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.910 -3.390 2.859 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.776 -4.524 -0.350 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.002 -0.924 1.535 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.038 -2.529 6.065 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.082 -5.818 4.174 1.00 0.00 C HETATM 1677 NA HEC A 105 1.451 -2.839 0.926 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.925 -3.427 -0.223 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.420 -2.660 -1.338 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.566 -1.708 -0.815 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.656 -1.777 0.630 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.421 -0.877 -1.600 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.661 -2.938 -2.812 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.104 -3.004 -3.364 1.00 0.00 C HETATM 1685 CGA HEC A 105 4.017 -1.861 -2.944 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.417 -1.088 -3.845 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.351 -1.826 -1.742 1.00 0.00 O HETATM 1688 NB HEC A 105 0.746 -1.977 3.660 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.061 -1.062 2.932 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.595 -0.186 3.873 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.369 -0.678 5.146 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.525 -1.797 4.998 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.254 1.112 3.504 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.060 -0.293 6.445 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.580 -0.407 6.326 1.00 0.00 C HETATM 1696 NC HEC A 105 2.428 -4.077 4.762 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.951 -3.547 5.910 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.596 -4.207 7.012 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.556 -5.032 6.476 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.355 -5.032 5.049 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.332 -3.926 8.470 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.784 -5.573 7.178 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.505 -6.793 8.056 1.00 0.00 C HETATM 1704 ND HEC A 105 3.191 -4.907 2.057 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.974 -5.740 2.796 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.736 -6.557 1.888 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.365 -6.202 0.615 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.377 -5.156 0.732 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.812 -7.543 2.263 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.875 -6.821 -0.665 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.838 -7.759 -1.304 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.264 -9.220 -1.265 1.00 0.00 C HETATM 1713 O1D HEC A 105 5.475 -9.481 -1.410 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.370 -10.080 -1.122 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.616 -7.023 2.785 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.392 -8.309 2.915 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.207 -8.011 1.361 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.562 -2.883 8.687 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.283 -4.121 8.694 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.960 -4.571 9.084 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.517 1.781 3.059 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.053 0.924 2.787 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.671 1.575 4.398 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.112 -0.285 -2.343 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.132 -1.534 -2.101 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.957 -0.212 -0.923 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.886 -7.649 -0.785 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.673 -7.460 -2.339 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.782 -6.528 8.827 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.102 -7.599 7.442 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.432 -7.123 8.525 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.934 0.257 5.537 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.850 -1.435 6.083 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -3.041 -0.124 7.272 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.555 -3.943 -3.043 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.058 -3.028 -4.453 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.134 -6.032 -1.371 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.789 -7.378 -0.459 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.182 -3.889 -3.044 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.134 -2.169 -3.377 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.781 -6.541 4.594 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.700 -2.284 7.072 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.597 -0.106 1.128 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.981 -4.906 -1.350 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.390 -10.701 -1.880 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.254 -2.719 -1.350 1.00 0.00 H new