USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 79 LYS NZ :NH3+ 163:sc= 0.2 (180deg=-0.389) USER MOD Set 1.2: A 110 HEC O2D : rot 172:sc= -1.37 USER MOD Set 2.1: A 63 THR OG1 : rot 130:sc=-0.00587 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 16 GLN : amide:sc= 0.872 K(o=2.1,f=-11!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0367 (180deg=0) 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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 26 HIS : no HD1:sc= -0.0971 X(o=-0.097,f=-0.097) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0078 USER MOD Single : A 31 ASN : amide:sc= -0.115 K(o=-0.12,f=-7.5!) USER MOD Single : A 33 HIS : no HE2:sc= 0.414 K(o=0.41,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 42 GLN : amide:sc= -0.167 K(o=-0.17,f=-3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 24:sc= 0.433 USER MOD Single : A 52 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.518 (180deg=-0.441) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 171:sc= 1.15 USER MOD Single : A 70 ASN : amide:sc= 0.41 K(o=0.41,f=-2.6!) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.922 (180deg=0.784) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -154:sc= -1.17 USER MOD Single : A 80 MET CE :methyl -159:sc= -0.0737 (180deg=-0.506) 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+ -178:sc= 1.15 (180deg=1.04) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -79:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 110 HEC O2A : rot -47:sc= 1.26! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.825 -3.542 -15.572 1.00 10.00 N ATOM 2 CA GLY A 1 -4.541 -3.592 -14.894 1.00 10.00 C ATOM 3 C GLY A 1 -3.982 -4.994 -15.117 1.00 10.00 C ATOM 4 O GLY A 1 -4.707 -5.963 -14.908 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.476 -2.931 -15.039 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.697 -3.159 -16.530 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.223 -4.501 -15.633 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.863 -2.837 -15.293 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.657 -3.386 -13.830 1.00 10.00 H new ATOM 10 N ASP A 2 -2.767 -5.091 -15.640 1.00 10.00 N ATOM 11 CA ASP A 2 -2.055 -6.336 -15.907 1.00 10.00 C ATOM 12 C ASP A 2 -1.619 -6.999 -14.595 1.00 10.00 C ATOM 13 O ASP A 2 -0.945 -6.373 -13.782 1.00 10.00 O ATOM 14 CB ASP A 2 -0.831 -6.006 -16.764 1.00 10.00 C ATOM 15 CG ASP A 2 -0.107 -7.238 -17.292 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.027 -8.209 -16.516 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.373 -7.170 -18.441 1.00 10.00 O ATOM 0 H ASP A 2 -2.225 -4.267 -15.902 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.708 -7.034 -16.431 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.143 -5.389 -17.607 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -0.134 -5.410 -16.174 1.00 10.00 H new ATOM 22 N VAL A 3 -1.981 -8.266 -14.380 1.00 10.00 N ATOM 23 CA VAL A 3 -1.569 -9.030 -13.207 1.00 10.00 C ATOM 24 C VAL A 3 -0.078 -9.382 -13.270 1.00 10.00 C ATOM 25 O VAL A 3 0.609 -9.317 -12.251 1.00 10.00 O ATOM 26 CB VAL A 3 -2.444 -10.293 -13.089 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.934 -11.264 -12.013 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.892 -9.910 -12.754 1.00 10.00 C ATOM 0 H VAL A 3 -2.573 -8.792 -15.022 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.711 -8.420 -12.315 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.394 -10.795 -14.055 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.586 -12.136 -11.971 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.920 -11.580 -12.259 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.933 -10.765 -11.044 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.498 -10.813 -12.674 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.916 -9.372 -11.807 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.292 -9.273 -13.543 1.00 10.00 H new ATOM 38 N GLU A 4 0.434 -9.782 -14.437 1.00 10.00 N ATOM 39 CA GLU A 4 1.833 -10.151 -14.570 1.00 10.00 C ATOM 40 C GLU A 4 2.673 -8.900 -14.394 1.00 10.00 C ATOM 41 O GLU A 4 3.521 -8.833 -13.506 1.00 10.00 O ATOM 42 CB GLU A 4 2.114 -10.799 -15.935 1.00 10.00 C ATOM 43 CG GLU A 4 2.189 -12.329 -15.825 1.00 10.00 C ATOM 44 CD GLU A 4 3.523 -12.836 -15.260 1.00 10.00 C ATOM 45 OE1 GLU A 4 3.972 -12.313 -14.213 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.091 -13.754 -15.887 1.00 10.00 O ATOM 0 H GLU A 4 -0.105 -9.856 -15.300 1.00 10.00 H new ATOM 0 HA GLU A 4 2.087 -10.887 -13.807 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.330 -10.522 -16.639 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.052 -10.415 -16.335 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.377 -12.680 -15.189 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.032 -12.765 -16.812 1.00 10.00 H new ATOM 53 N LYS A 5 2.426 -7.881 -15.217 1.00 10.00 N ATOM 54 CA LYS A 5 3.142 -6.635 -15.033 1.00 10.00 C ATOM 55 C LYS A 5 2.917 -6.108 -13.623 1.00 10.00 C ATOM 56 O LYS A 5 3.883 -5.718 -12.984 1.00 10.00 O ATOM 57 CB LYS A 5 2.888 -5.607 -16.135 1.00 10.00 C ATOM 58 CG LYS A 5 3.811 -5.823 -17.343 1.00 10.00 C ATOM 59 CD LYS A 5 4.521 -4.515 -17.725 1.00 10.00 C ATOM 60 CE LYS A 5 5.862 -4.820 -18.401 1.00 10.00 C ATOM 61 NZ LYS A 5 6.512 -3.593 -18.902 1.00 10.00 N ATOM 0 H LYS A 5 1.759 -7.896 -15.989 1.00 10.00 H new ATOM 0 HA LYS A 5 4.207 -6.844 -15.136 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.848 -5.669 -16.457 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.039 -4.603 -15.737 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.550 -6.589 -17.110 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.230 -6.188 -18.190 1.00 10.00 H new ATOM 0 HD2 LYS A 5 3.890 -3.933 -18.397 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.684 -3.907 -16.835 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.523 -5.318 -17.691 1.00 10.00 H new ATOM 0 HE3 LYS A 5 5.704 -5.512 -19.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.416 -3.839 -19.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.892 -3.131 -19.598 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.686 -2.943 -18.109 1.00 10.00 H new ATOM 75 N GLY A 6 1.700 -6.176 -13.088 1.00 10.00 N ATOM 76 CA GLY A 6 1.449 -5.846 -11.696 1.00 10.00 C ATOM 77 C GLY A 6 2.390 -6.574 -10.732 1.00 10.00 C ATOM 78 O GLY A 6 2.921 -5.955 -9.809 1.00 10.00 O ATOM 0 H GLY A 6 0.869 -6.460 -13.607 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.557 -4.770 -11.558 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.418 -6.098 -11.448 1.00 10.00 H new ATOM 82 N LYS A 7 2.613 -7.879 -10.937 1.00 10.00 N ATOM 83 CA LYS A 7 3.499 -8.679 -10.114 1.00 10.00 C ATOM 84 C LYS A 7 4.890 -8.077 -10.226 1.00 10.00 C ATOM 85 O LYS A 7 5.521 -7.741 -9.224 1.00 10.00 O ATOM 86 CB LYS A 7 3.461 -10.150 -10.576 1.00 10.00 C ATOM 87 CG LYS A 7 4.376 -11.087 -9.772 1.00 10.00 C ATOM 88 CD LYS A 7 4.454 -12.471 -10.446 1.00 10.00 C ATOM 89 CE LYS A 7 3.958 -13.587 -9.515 1.00 10.00 C ATOM 90 NZ LYS A 7 4.066 -14.922 -10.142 1.00 10.00 N ATOM 0 H LYS A 7 2.172 -8.406 -11.691 1.00 10.00 H new ATOM 0 HA LYS A 7 3.189 -8.672 -9.069 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.436 -10.514 -10.507 1.00 10.00 H new ATOM 0 HB3 LYS A 7 3.746 -10.196 -11.627 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.374 -10.655 -9.697 1.00 10.00 H new ATOM 0 HG3 LYS A 7 3.997 -11.191 -8.755 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.856 -12.466 -11.358 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.483 -12.674 -10.741 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.537 -13.573 -8.592 1.00 10.00 H new ATOM 0 HE3 LYS A 7 2.920 -13.397 -9.243 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.721 -15.646 -9.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.493 -14.945 -11.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.060 -15.115 -10.378 1.00 10.00 H new ATOM 104 N LYS A 8 5.375 -7.949 -11.463 1.00 10.00 N ATOM 105 CA LYS A 8 6.754 -7.550 -11.665 1.00 10.00 C ATOM 106 C LYS A 8 6.970 -6.123 -11.153 1.00 10.00 C ATOM 107 O LYS A 8 8.016 -5.825 -10.588 1.00 10.00 O ATOM 108 CB LYS A 8 7.225 -7.748 -13.115 1.00 10.00 C ATOM 109 CG LYS A 8 6.807 -9.072 -13.788 1.00 10.00 C ATOM 110 CD LYS A 8 6.880 -10.340 -12.917 1.00 10.00 C ATOM 111 CE LYS A 8 8.300 -10.910 -12.789 1.00 10.00 C ATOM 112 NZ LYS A 8 8.585 -11.915 -13.836 1.00 10.00 N ATOM 0 H LYS A 8 4.842 -8.113 -12.317 1.00 10.00 H new ATOM 0 HA LYS A 8 7.387 -8.213 -11.075 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.844 -6.922 -13.716 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.313 -7.681 -13.135 1.00 10.00 H new ATOM 0 HG2 LYS A 8 5.784 -8.964 -14.147 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.438 -9.223 -14.664 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.497 -10.111 -11.922 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.227 -11.102 -13.342 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.025 -10.099 -12.857 1.00 10.00 H new ATOM 0 HE3 LYS A 8 8.422 -11.365 -11.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.553 -12.276 -13.716 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 7.909 -12.701 -13.755 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.494 -11.475 -14.774 1.00 10.00 H new ATOM 126 N ILE A 9 5.972 -5.251 -11.307 1.00 10.00 N ATOM 127 CA ILE A 9 5.986 -3.898 -10.793 1.00 10.00 C ATOM 128 C ILE A 9 6.073 -3.956 -9.274 1.00 10.00 C ATOM 129 O ILE A 9 7.018 -3.418 -8.709 1.00 10.00 O ATOM 130 CB ILE A 9 4.741 -3.135 -11.286 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.824 -2.850 -12.798 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.567 -1.805 -10.546 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.445 -2.519 -13.379 1.00 10.00 C ATOM 0 H ILE A 9 5.113 -5.481 -11.807 1.00 10.00 H new ATOM 0 HA ILE A 9 6.855 -3.352 -11.162 1.00 10.00 H new ATOM 0 HB ILE A 9 3.883 -3.775 -11.081 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.505 -2.018 -12.977 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.239 -3.717 -13.311 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.679 -1.294 -10.919 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.454 -1.995 -9.479 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.443 -1.178 -10.713 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.538 -2.323 -14.447 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.772 -3.362 -13.222 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.043 -1.636 -12.882 1.00 10.00 H new ATOM 145 N PHE A 10 5.105 -4.598 -8.614 1.00 10.00 N ATOM 146 CA PHE A 10 5.091 -4.730 -7.163 1.00 10.00 C ATOM 147 C PHE A 10 6.470 -5.151 -6.647 1.00 10.00 C ATOM 148 O PHE A 10 7.012 -4.565 -5.710 1.00 10.00 O ATOM 149 CB PHE A 10 4.010 -5.732 -6.750 1.00 10.00 C ATOM 150 CG PHE A 10 4.049 -6.079 -5.278 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.490 -5.204 -4.328 1.00 10.00 C ATOM 152 CD2 PHE A 10 4.757 -7.217 -4.852 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.573 -5.508 -2.960 1.00 10.00 C ATOM 154 CE2 PHE A 10 4.849 -7.516 -3.485 1.00 10.00 C ATOM 155 CZ PHE A 10 4.246 -6.668 -2.544 1.00 10.00 C ATOM 0 H PHE A 10 4.310 -5.040 -9.076 1.00 10.00 H new ATOM 0 HA PHE A 10 4.856 -3.764 -6.715 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.030 -5.321 -6.994 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.127 -6.644 -7.335 1.00 10.00 H new ATOM 0 HD1 PHE A 10 2.997 -4.299 -4.651 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.230 -7.861 -5.578 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.121 -4.852 -2.230 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.382 -8.396 -3.158 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.300 -6.909 -1.493 1.00 10.00 H new ATOM 165 N VAL A 11 7.073 -6.145 -7.296 1.00 10.00 N ATOM 166 CA VAL A 11 8.406 -6.577 -6.937 1.00 10.00 C ATOM 167 C VAL A 11 9.423 -5.446 -7.163 1.00 10.00 C ATOM 168 O VAL A 11 10.108 -5.005 -6.248 1.00 10.00 O ATOM 169 CB VAL A 11 8.752 -7.866 -7.698 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.214 -8.291 -7.495 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.821 -8.988 -7.227 1.00 10.00 C ATOM 0 H VAL A 11 6.654 -6.660 -8.070 1.00 10.00 H new ATOM 0 HA VAL A 11 8.448 -6.810 -5.873 1.00 10.00 H new ATOM 0 HB VAL A 11 8.617 -7.673 -8.762 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.408 -9.207 -8.053 1.00 10.00 H new ATOM 0 HG12 VAL A 11 10.875 -7.502 -7.852 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.398 -8.466 -6.435 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.059 -9.907 -7.762 1.00 10.00 H new ATOM 0 HG22 VAL A 11 7.954 -9.146 -6.157 1.00 10.00 H new ATOM 0 HG23 VAL A 11 6.786 -8.710 -7.427 1.00 10.00 H new ATOM 181 N GLN A 12 9.528 -4.959 -8.393 1.00 10.00 N ATOM 182 CA GLN A 12 10.542 -3.998 -8.803 1.00 10.00 C ATOM 183 C GLN A 12 10.402 -2.656 -8.072 1.00 10.00 C ATOM 184 O GLN A 12 11.336 -1.859 -8.085 1.00 10.00 O ATOM 185 CB GLN A 12 10.465 -3.823 -10.323 1.00 10.00 C ATOM 186 CG GLN A 12 10.866 -5.111 -11.060 1.00 10.00 C ATOM 187 CD GLN A 12 12.370 -5.194 -11.293 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.884 -4.594 -12.230 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.087 -5.938 -10.456 1.00 10.00 N ATOM 0 H GLN A 12 8.897 -5.227 -9.148 1.00 10.00 H new ATOM 0 HA GLN A 12 11.524 -4.383 -8.528 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.451 -3.541 -10.607 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.120 -3.008 -10.630 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.541 -5.975 -10.481 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.348 -5.156 -12.018 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.629 -6.425 -9.686 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.095 -6.022 -10.584 1.00 10.00 H new ATOM 198 N LYS A 13 9.228 -2.372 -7.500 1.00 10.00 N ATOM 199 CA LYS A 13 8.928 -1.133 -6.797 1.00 10.00 C ATOM 200 C LYS A 13 8.987 -1.318 -5.280 1.00 10.00 C ATOM 201 O LYS A 13 9.579 -0.495 -4.584 1.00 10.00 O ATOM 202 CB LYS A 13 7.525 -0.646 -7.184 1.00 10.00 C ATOM 203 CG LYS A 13 7.401 0.057 -8.543 1.00 10.00 C ATOM 204 CD LYS A 13 8.303 -0.501 -9.645 1.00 10.00 C ATOM 205 CE LYS A 13 8.160 0.307 -10.938 1.00 10.00 C ATOM 206 NZ LYS A 13 9.491 0.609 -11.500 1.00 10.00 N ATOM 0 H LYS A 13 8.441 -3.021 -7.517 1.00 10.00 H new ATOM 0 HA LYS A 13 9.680 -0.398 -7.085 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.852 -1.503 -7.179 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.175 0.038 -6.411 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.365 -0.008 -8.875 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.628 1.115 -8.410 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.341 -0.482 -9.314 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.048 -1.544 -9.834 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.570 -0.254 -11.663 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.622 1.234 -10.739 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.381 1.157 -12.377 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.041 1.162 -10.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.990 -0.280 -11.708 1.00 10.00 H new ATOM 220 N CYS A 14 8.290 -2.333 -4.765 1.00 10.00 N ATOM 221 CA CYS A 14 7.878 -2.404 -3.370 1.00 10.00 C ATOM 222 C CYS A 14 8.656 -3.511 -2.636 1.00 10.00 C ATOM 223 O CYS A 14 9.149 -3.276 -1.536 1.00 10.00 O ATOM 224 CB CYS A 14 6.372 -2.596 -3.272 1.00 10.00 C ATOM 225 SG CYS A 14 5.369 -1.865 -4.634 1.00 10.00 S ATOM 0 H CYS A 14 7.994 -3.138 -5.317 1.00 10.00 H new ATOM 0 HA CYS A 14 8.116 -1.462 -2.877 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.165 -3.665 -3.230 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.033 -2.168 -2.329 1.00 10.00 H new ATOM 230 N ALA A 15 8.754 -4.702 -3.248 1.00 10.00 N ATOM 231 CA ALA A 15 9.399 -5.934 -2.762 1.00 10.00 C ATOM 232 C ALA A 15 10.027 -5.914 -1.365 1.00 10.00 C ATOM 233 O ALA A 15 9.478 -6.502 -0.435 1.00 10.00 O ATOM 234 CB ALA A 15 10.455 -6.416 -3.760 1.00 10.00 C ATOM 0 H ALA A 15 8.350 -4.840 -4.174 1.00 10.00 H new ATOM 0 HA ALA A 15 8.554 -6.616 -2.673 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.921 -7.327 -3.385 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.982 -6.620 -4.721 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.215 -5.645 -3.886 1.00 10.00 H new ATOM 240 N GLN A 16 11.216 -5.321 -1.201 1.00 10.00 N ATOM 241 CA GLN A 16 11.916 -5.288 0.079 1.00 10.00 C ATOM 242 C GLN A 16 11.279 -4.244 0.999 1.00 10.00 C ATOM 243 O GLN A 16 11.952 -3.374 1.547 1.00 10.00 O ATOM 244 CB GLN A 16 13.418 -5.052 -0.154 1.00 10.00 C ATOM 245 CG GLN A 16 14.151 -6.351 -0.515 1.00 10.00 C ATOM 246 CD GLN A 16 14.252 -7.335 0.655 1.00 10.00 C ATOM 247 OE1 GLN A 16 13.985 -7.002 1.811 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.640 -8.574 0.374 1.00 10.00 N ATOM 0 H GLN A 16 11.716 -4.851 -1.956 1.00 10.00 H new ATOM 0 HA GLN A 16 11.821 -6.249 0.584 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.551 -4.325 -0.955 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.862 -4.622 0.744 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.633 -6.834 -1.343 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.155 -6.109 -0.865 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.858 -8.835 -0.588 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.720 -9.265 1.120 1.00 10.00 H new ATOM 257 N CYS A 17 9.969 -4.376 1.193 1.00 10.00 N ATOM 258 CA CYS A 17 9.159 -3.572 2.074 1.00 10.00 C ATOM 259 C CYS A 17 7.799 -4.244 2.218 1.00 10.00 C ATOM 260 O CYS A 17 7.354 -4.449 3.338 1.00 10.00 O ATOM 261 CB CYS A 17 9.058 -2.138 1.606 1.00 10.00 C ATOM 262 SG CYS A 17 9.193 -1.104 3.088 1.00 10.00 S ATOM 0 H CYS A 17 9.424 -5.089 0.708 1.00 10.00 H new ATOM 0 HA CYS A 17 9.631 -3.512 3.055 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.852 -1.905 0.896 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.111 -1.962 1.095 1.00 10.00 H new ATOM 267 N HIS A 18 7.154 -4.637 1.113 1.00 10.00 N ATOM 268 CA HIS A 18 5.906 -5.375 1.163 1.00 10.00 C ATOM 269 C HIS A 18 6.091 -6.719 0.487 1.00 10.00 C ATOM 270 O HIS A 18 6.678 -6.802 -0.586 1.00 10.00 O ATOM 271 CB HIS A 18 4.821 -4.598 0.438 1.00 10.00 C ATOM 272 CG HIS A 18 4.418 -3.340 1.148 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.693 -3.238 2.314 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.595 -2.084 0.655 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.411 -1.933 2.484 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.944 -1.190 1.500 1.00 10.00 N ATOM 0 H HIS A 18 7.488 -4.449 0.168 1.00 10.00 H new ATOM 0 HA HIS A 18 5.615 -5.520 2.203 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.171 -4.346 -0.563 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.945 -5.236 0.318 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.422 -4.004 2.930 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.145 -1.826 -0.238 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.832 -1.535 3.304 1.00 10.00 H new ATOM 284 N THR A 19 5.548 -7.760 1.111 1.00 10.00 N ATOM 285 CA THR A 19 5.627 -9.129 0.637 1.00 10.00 C ATOM 286 C THR A 19 4.265 -9.630 0.150 1.00 10.00 C ATOM 287 O THR A 19 4.198 -10.330 -0.852 1.00 10.00 O ATOM 288 CB THR A 19 6.191 -9.965 1.781 1.00 10.00 C ATOM 289 OG1 THR A 19 7.493 -9.526 2.110 1.00 10.00 O ATOM 290 CG2 THR A 19 6.232 -11.435 1.400 1.00 10.00 C ATOM 0 H THR A 19 5.028 -7.667 1.983 1.00 10.00 H new ATOM 0 HA THR A 19 6.283 -9.207 -0.230 1.00 10.00 H new ATOM 0 HB THR A 19 5.539 -9.843 2.646 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.845 -10.068 2.847 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.637 -12.015 2.229 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.223 -11.781 1.175 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.865 -11.566 0.522 1.00 10.00 H new ATOM 298 N VAL A 20 3.201 -9.275 0.875 1.00 10.00 N ATOM 299 CA VAL A 20 1.800 -9.587 0.602 1.00 10.00 C ATOM 300 C VAL A 20 1.484 -11.081 0.661 1.00 10.00 C ATOM 301 O VAL A 20 0.420 -11.499 0.213 1.00 10.00 O ATOM 302 CB VAL A 20 1.254 -8.899 -0.668 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.366 -7.378 -0.543 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.801 -9.350 -2.026 1.00 10.00 C ATOM 0 H VAL A 20 3.306 -8.724 1.727 1.00 10.00 H new ATOM 0 HA VAL A 20 1.247 -9.145 1.431 1.00 10.00 H new ATOM 0 HB VAL A 20 0.217 -9.235 -0.691 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.977 -6.909 -1.447 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.790 -7.040 0.318 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.412 -7.100 -0.411 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.323 -8.776 -2.820 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.878 -9.185 -2.057 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.592 -10.410 -2.168 1.00 10.00 H new ATOM 314 N GLU A 21 2.368 -11.873 1.268 1.00 10.00 N ATOM 315 CA GLU A 21 2.334 -13.318 1.207 1.00 10.00 C ATOM 316 C GLU A 21 2.348 -13.893 2.620 1.00 10.00 C ATOM 317 O GLU A 21 2.797 -13.239 3.567 1.00 10.00 O ATOM 318 CB GLU A 21 3.531 -13.805 0.380 1.00 10.00 C ATOM 319 CG GLU A 21 3.143 -15.010 -0.475 1.00 10.00 C ATOM 320 CD GLU A 21 4.340 -15.547 -1.249 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.930 -14.750 -2.010 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.662 -16.736 -1.041 1.00 10.00 O ATOM 0 H GLU A 21 3.141 -11.511 1.826 1.00 10.00 H new ATOM 0 HA GLU A 21 1.419 -13.661 0.724 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.889 -12.999 -0.260 1.00 10.00 H new ATOM 0 HB3 GLU A 21 4.353 -14.073 1.044 1.00 10.00 H new ATOM 0 HG2 GLU A 21 2.737 -15.796 0.162 1.00 10.00 H new ATOM 0 HG3 GLU A 21 2.354 -14.726 -1.172 1.00 10.00 H new ATOM 329 N LYS A 22 1.855 -15.121 2.768 1.00 10.00 N ATOM 330 CA LYS A 22 1.700 -15.791 4.048 1.00 10.00 C ATOM 331 C LYS A 22 3.078 -16.177 4.605 1.00 10.00 C ATOM 332 O LYS A 22 3.490 -17.333 4.553 1.00 10.00 O ATOM 333 CB LYS A 22 0.749 -16.986 3.855 1.00 10.00 C ATOM 334 CG LYS A 22 -0.077 -17.322 5.102 1.00 10.00 C ATOM 335 CD LYS A 22 0.811 -17.860 6.236 1.00 10.00 C ATOM 336 CE LYS A 22 0.062 -18.806 7.190 1.00 10.00 C ATOM 337 NZ LYS A 22 0.723 -20.127 7.269 1.00 10.00 N ATOM 0 H LYS A 22 1.546 -15.688 1.978 1.00 10.00 H new ATOM 0 HA LYS A 22 1.252 -15.134 4.794 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.072 -16.771 3.028 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.332 -17.861 3.569 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.604 -16.430 5.442 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.835 -18.063 4.849 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.662 -18.387 5.804 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.211 -17.021 6.805 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.015 -18.361 8.184 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.965 -18.931 6.848 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.194 -20.742 7.920 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.745 -20.561 6.324 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 1.695 -20.008 7.618 1.00 10.00 H new ATOM 351 N GLY A 23 3.793 -15.191 5.148 1.00 10.00 N ATOM 352 CA GLY A 23 5.193 -15.325 5.533 1.00 10.00 C ATOM 353 C GLY A 23 5.961 -14.006 5.499 1.00 10.00 C ATOM 354 O GLY A 23 7.043 -13.933 6.081 1.00 10.00 O ATOM 0 H GLY A 23 3.408 -14.265 5.334 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.247 -15.742 6.538 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.679 -16.037 4.866 1.00 10.00 H new ATOM 358 N GLY A 24 5.439 -12.966 4.834 1.00 10.00 N ATOM 359 CA GLY A 24 6.065 -11.657 4.848 1.00 10.00 C ATOM 360 C GLY A 24 6.433 -11.213 6.258 1.00 10.00 C ATOM 361 O GLY A 24 5.583 -11.148 7.145 1.00 10.00 O ATOM 0 H GLY A 24 4.583 -13.016 4.282 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.962 -11.678 4.229 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.388 -10.927 4.404 1.00 10.00 H new ATOM 365 N LYS A 25 7.718 -10.929 6.453 1.00 10.00 N ATOM 366 CA LYS A 25 8.263 -10.569 7.744 1.00 10.00 C ATOM 367 C LYS A 25 7.945 -9.105 8.045 1.00 10.00 C ATOM 368 O LYS A 25 7.692 -8.319 7.132 1.00 10.00 O ATOM 369 CB LYS A 25 9.773 -10.824 7.737 1.00 10.00 C ATOM 370 CG LYS A 25 10.098 -12.268 7.311 1.00 10.00 C ATOM 371 CD LYS A 25 11.596 -12.552 7.498 1.00 10.00 C ATOM 372 CE LYS A 25 11.922 -12.901 8.960 1.00 10.00 C ATOM 373 NZ LYS A 25 13.372 -12.845 9.242 1.00 10.00 N ATOM 0 H LYS A 25 8.412 -10.945 5.706 1.00 10.00 H new ATOM 0 HA LYS A 25 7.813 -11.177 8.529 1.00 10.00 H new ATOM 0 HB2 LYS A 25 10.258 -10.124 7.056 1.00 10.00 H new ATOM 0 HB3 LYS A 25 10.180 -10.636 8.731 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.511 -12.970 7.903 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.819 -12.419 6.268 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.895 -13.376 6.850 1.00 10.00 H new ATOM 0 HD3 LYS A 25 12.174 -11.680 7.193 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.399 -12.210 9.621 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.549 -13.900 9.184 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.541 -13.088 10.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.871 -13.523 8.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.725 -11.885 9.055 1.00 10.00 H new ATOM 387 N HIS A 26 7.984 -8.733 9.326 1.00 10.00 N ATOM 388 CA HIS A 26 7.606 -7.401 9.782 1.00 10.00 C ATOM 389 C HIS A 26 8.742 -6.406 9.499 1.00 10.00 C ATOM 390 O HIS A 26 9.381 -5.888 10.412 1.00 10.00 O ATOM 391 CB HIS A 26 7.217 -7.445 11.276 1.00 10.00 C ATOM 392 CG HIS A 26 6.567 -8.729 11.736 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.112 -9.615 12.639 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.401 -9.277 11.272 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.292 -10.677 12.711 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.242 -10.522 11.889 1.00 10.00 N ATOM 0 H HIS A 26 8.281 -9.354 10.078 1.00 10.00 H new ATOM 0 HA HIS A 26 6.731 -7.056 9.231 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.113 -7.277 11.873 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.537 -6.619 11.482 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.726 -8.829 10.558 1.00 10.00 H new ATOM 0 HE1 HIS A 26 6.455 -11.537 13.343 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.478 -11.182 11.743 1.00 10.00 H new ATOM 404 N LYS A 27 9.023 -6.173 8.217 1.00 10.00 N ATOM 405 CA LYS A 27 9.979 -5.173 7.762 1.00 10.00 C ATOM 406 C LYS A 27 9.345 -3.779 7.863 1.00 10.00 C ATOM 407 O LYS A 27 8.257 -3.630 8.418 1.00 10.00 O ATOM 408 CB LYS A 27 10.406 -5.541 6.331 1.00 10.00 C ATOM 409 CG LYS A 27 11.345 -6.757 6.351 1.00 10.00 C ATOM 410 CD LYS A 27 11.409 -7.413 4.963 1.00 10.00 C ATOM 411 CE LYS A 27 12.671 -8.271 4.791 1.00 10.00 C ATOM 412 NZ LYS A 27 13.854 -7.455 4.441 1.00 10.00 N ATOM 0 H LYS A 27 8.582 -6.686 7.454 1.00 10.00 H new ATOM 0 HA LYS A 27 10.873 -5.153 8.385 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.526 -5.762 5.727 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.908 -4.693 5.864 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.344 -6.447 6.659 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.995 -7.482 7.086 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.525 -8.034 4.814 1.00 10.00 H new ATOM 0 HD3 LYS A 27 11.389 -6.640 4.195 1.00 10.00 H new ATOM 0 HE2 LYS A 27 12.867 -8.816 5.714 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.500 -9.014 4.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 14.719 -8.006 4.614 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 13.808 -7.189 3.437 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.868 -6.595 5.026 1.00 10.00 H new ATOM 426 N THR A 28 10.029 -2.755 7.334 1.00 10.00 N ATOM 427 CA THR A 28 9.527 -1.390 7.256 1.00 10.00 C ATOM 428 C THR A 28 8.065 -1.374 6.811 1.00 10.00 C ATOM 429 O THR A 28 7.211 -0.858 7.527 1.00 10.00 O ATOM 430 CB THR A 28 10.463 -0.562 6.365 1.00 10.00 C ATOM 431 OG1 THR A 28 11.773 -0.671 6.885 1.00 10.00 O ATOM 432 CG2 THR A 28 10.048 0.910 6.296 1.00 10.00 C ATOM 0 H THR A 28 10.965 -2.862 6.942 1.00 10.00 H new ATOM 0 HA THR A 28 9.530 -0.924 8.241 1.00 10.00 H new ATOM 0 HB THR A 28 10.411 -0.950 5.348 1.00 10.00 H new ATOM 0 HG1 THR A 28 12.390 -0.150 6.329 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.741 1.454 5.654 1.00 10.00 H new ATOM 0 HG22 THR A 28 9.040 0.985 5.888 1.00 10.00 H new ATOM 0 HG23 THR A 28 10.067 1.341 7.297 1.00 10.00 H new ATOM 440 N GLY A 29 7.770 -1.959 5.651 1.00 10.00 N ATOM 441 CA GLY A 29 6.408 -2.117 5.186 1.00 10.00 C ATOM 442 C GLY A 29 5.802 -3.350 5.850 1.00 10.00 C ATOM 443 O GLY A 29 6.479 -4.367 5.998 1.00 10.00 O ATOM 0 H GLY A 29 8.473 -2.334 5.014 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.821 -1.231 5.428 1.00 10.00 H new ATOM 0 HA3 GLY A 29 6.389 -2.225 4.101 1.00 10.00 H new ATOM 447 N PRO A 30 4.534 -3.291 6.275 1.00 10.00 N ATOM 448 CA PRO A 30 3.864 -4.468 6.766 1.00 10.00 C ATOM 449 C PRO A 30 3.572 -5.414 5.607 1.00 10.00 C ATOM 450 O PRO A 30 3.328 -5.002 4.469 1.00 10.00 O ATOM 451 CB PRO A 30 2.595 -3.968 7.457 1.00 10.00 C ATOM 452 CG PRO A 30 2.295 -2.643 6.755 1.00 10.00 C ATOM 453 CD PRO A 30 3.680 -2.122 6.370 1.00 10.00 C ATOM 0 HA PRO A 30 4.469 -5.037 7.472 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.773 -4.675 7.345 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.751 -3.828 8.527 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.662 -2.787 5.879 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.774 -1.949 7.414 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.646 -1.586 5.422 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.056 -1.424 7.118 1.00 10.00 H new ATOM 461 N ASN A 31 3.595 -6.707 5.920 1.00 10.00 N ATOM 462 CA ASN A 31 3.206 -7.751 5.000 1.00 10.00 C ATOM 463 C ASN A 31 1.734 -7.581 4.662 1.00 10.00 C ATOM 464 O ASN A 31 0.881 -7.997 5.444 1.00 10.00 O ATOM 465 CB ASN A 31 3.417 -9.105 5.668 1.00 10.00 C ATOM 466 CG ASN A 31 2.909 -10.215 4.761 1.00 10.00 C ATOM 467 OD1 ASN A 31 3.105 -10.158 3.547 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.267 -11.225 5.330 1.00 10.00 N ATOM 0 H ASN A 31 3.889 -7.055 6.833 1.00 10.00 H new ATOM 0 HA ASN A 31 3.804 -7.694 4.091 1.00 10.00 H new ATOM 0 HB2 ASN A 31 4.475 -9.254 5.881 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.892 -9.135 6.623 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.915 -11.993 4.758 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.125 -11.235 6.340 1.00 10.00 H new ATOM 475 N LEU A 32 1.423 -6.972 3.517 1.00 10.00 N ATOM 476 CA LEU A 32 0.065 -6.535 3.228 1.00 10.00 C ATOM 477 C LEU A 32 -0.866 -7.678 2.780 1.00 10.00 C ATOM 478 O LEU A 32 -1.720 -7.509 1.912 1.00 10.00 O ATOM 479 CB LEU A 32 0.103 -5.332 2.263 1.00 10.00 C ATOM 480 CG LEU A 32 0.055 -3.976 2.979 1.00 10.00 C ATOM 481 CD1 LEU A 32 0.116 -2.885 1.902 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.203 -3.842 3.849 1.00 10.00 C ATOM 0 H LEU A 32 2.096 -6.772 2.777 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.392 -6.195 4.157 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.011 -5.386 1.663 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.739 -5.401 1.574 1.00 10.00 H new ATOM 0 HG LEU A 32 0.901 -3.879 3.660 1.00 10.00 H new ATOM 0 HD11 LEU A 32 0.084 -1.904 2.376 1.00 10.00 H new ATOM 0 HD12 LEU A 32 1.042 -2.984 1.336 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.734 -2.991 1.228 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.203 -2.869 4.341 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.090 -3.932 3.222 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.210 -4.630 4.603 1.00 10.00 H new ATOM 494 N HIS A 33 -0.736 -8.850 3.400 1.00 10.00 N ATOM 495 CA HIS A 33 -1.405 -10.085 3.030 1.00 10.00 C ATOM 496 C HIS A 33 -2.846 -10.089 3.559 1.00 10.00 C ATOM 497 O HIS A 33 -3.208 -10.881 4.427 1.00 10.00 O ATOM 498 CB HIS A 33 -0.548 -11.230 3.576 1.00 10.00 C ATOM 499 CG HIS A 33 -1.001 -12.604 3.175 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.164 -13.085 1.894 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.212 -13.639 4.039 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.516 -14.378 1.996 1.00 10.00 C ATOM 503 NE2 HIS A 33 -1.551 -14.763 3.285 1.00 10.00 N ATOM 0 H HIS A 33 -0.131 -8.964 4.213 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.497 -10.198 1.950 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.479 -11.089 3.239 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.537 -11.170 4.664 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -1.041 -12.558 1.030 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.131 -13.596 5.115 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.740 -15.021 1.158 1.00 10.00 H new ATOM 511 N GLY A 34 -3.650 -9.157 3.047 1.00 10.00 N ATOM 512 CA GLY A 34 -5.066 -9.004 3.352 1.00 10.00 C ATOM 513 C GLY A 34 -5.424 -7.523 3.377 1.00 10.00 C ATOM 514 O GLY A 34 -6.009 -7.036 4.341 1.00 10.00 O ATOM 0 H GLY A 34 -3.315 -8.461 2.381 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -5.668 -9.522 2.605 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.293 -9.460 4.316 1.00 10.00 H new ATOM 518 N LEU A 35 -5.033 -6.802 2.323 1.00 10.00 N ATOM 519 CA LEU A 35 -5.183 -5.361 2.236 1.00 10.00 C ATOM 520 C LEU A 35 -6.644 -5.029 1.935 1.00 10.00 C ATOM 521 O LEU A 35 -7.326 -4.355 2.707 1.00 10.00 O ATOM 522 CB LEU A 35 -4.221 -4.854 1.146 1.00 10.00 C ATOM 523 CG LEU A 35 -4.237 -3.349 0.828 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.797 -2.456 1.988 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.292 -3.135 -0.352 1.00 10.00 C ATOM 0 H LEU A 35 -4.598 -7.216 1.498 1.00 10.00 H new ATOM 0 HA LEU A 35 -4.930 -4.866 3.174 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.207 -5.125 1.440 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.441 -5.395 0.225 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.267 -3.064 0.612 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.838 -1.412 1.679 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.462 -2.609 2.838 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.777 -2.710 2.276 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.271 -2.077 -0.614 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.289 -3.461 -0.078 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.641 -3.714 -1.207 1.00 10.00 H new ATOM 537 N PHE A 36 -7.130 -5.541 0.803 1.00 10.00 N ATOM 538 CA PHE A 36 -8.520 -5.424 0.406 1.00 10.00 C ATOM 539 C PHE A 36 -9.398 -6.130 1.439 1.00 10.00 C ATOM 540 O PHE A 36 -9.290 -7.341 1.612 1.00 10.00 O ATOM 541 CB PHE A 36 -8.713 -6.020 -0.997 1.00 10.00 C ATOM 542 CG PHE A 36 -7.737 -5.473 -2.021 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.882 -4.160 -2.492 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.567 -6.186 -2.322 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.839 -3.534 -3.196 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.507 -5.548 -2.987 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.644 -4.226 -3.438 1.00 10.00 C ATOM 0 H PHE A 36 -6.556 -6.053 0.133 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.811 -4.374 0.365 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.602 -7.103 -0.942 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.731 -5.820 -1.332 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.803 -3.625 -2.312 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.481 -7.226 -2.042 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.958 -2.521 -3.550 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.581 -6.078 -3.152 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.835 -3.745 -3.968 1.00 10.00 H new ATOM 557 N GLY A 37 -10.269 -5.376 2.114 1.00 10.00 N ATOM 558 CA GLY A 37 -11.232 -5.921 3.061 1.00 10.00 C ATOM 559 C GLY A 37 -10.690 -5.969 4.490 1.00 10.00 C ATOM 560 O GLY A 37 -10.974 -6.912 5.225 1.00 10.00 O ATOM 0 H GLY A 37 -10.322 -4.362 2.015 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.138 -5.316 3.040 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.513 -6.927 2.749 1.00 10.00 H new ATOM 564 N ARG A 38 -9.948 -4.936 4.906 1.00 10.00 N ATOM 565 CA ARG A 38 -9.409 -4.835 6.259 1.00 10.00 C ATOM 566 C ARG A 38 -9.347 -3.363 6.697 1.00 10.00 C ATOM 567 O ARG A 38 -8.426 -2.965 7.403 1.00 10.00 O ATOM 568 CB ARG A 38 -8.044 -5.548 6.276 1.00 10.00 C ATOM 569 CG ARG A 38 -7.356 -5.682 7.649 1.00 10.00 C ATOM 570 CD ARG A 38 -7.161 -7.136 8.104 1.00 10.00 C ATOM 571 NE ARG A 38 -8.348 -7.651 8.807 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.477 -8.902 9.280 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.583 -9.838 8.944 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.492 -9.210 10.097 1.00 10.00 N ATOM 0 H ARG A 38 -9.706 -4.146 4.308 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.053 -5.327 6.988 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.176 -6.547 5.861 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.370 -5.012 5.608 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -6.384 -5.190 7.608 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -7.949 -5.154 8.396 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -6.951 -7.763 7.238 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -6.293 -7.198 8.761 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.130 -7.011 8.945 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.804 -9.602 8.329 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.680 -10.788 9.303 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -10.169 -8.494 10.361 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.588 -10.160 10.455 1.00 10.00 H new ATOM 588 N LYS A 39 -10.346 -2.548 6.315 1.00 10.00 N ATOM 589 CA LYS A 39 -10.366 -1.120 6.654 1.00 10.00 C ATOM 590 C LYS A 39 -9.050 -0.458 6.216 1.00 10.00 C ATOM 591 O LYS A 39 -8.449 -0.899 5.237 1.00 10.00 O ATOM 592 CB LYS A 39 -10.755 -0.950 8.144 1.00 10.00 C ATOM 593 CG LYS A 39 -12.259 -0.751 8.336 1.00 10.00 C ATOM 594 CD LYS A 39 -12.730 0.621 7.829 1.00 10.00 C ATOM 595 CE LYS A 39 -14.064 0.952 8.500 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.728 2.133 7.900 1.00 10.00 N ATOM 0 H LYS A 39 -11.151 -2.858 5.770 1.00 10.00 H new ATOM 0 HA LYS A 39 -11.135 -0.582 6.100 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -10.434 -1.829 8.703 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.222 -0.095 8.560 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.799 -1.537 7.808 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.505 -0.850 9.393 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -11.989 1.386 8.061 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.844 0.606 6.745 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.727 0.090 8.425 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.897 1.134 9.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.627 2.313 8.392 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.110 2.964 7.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.914 1.952 6.893 1.00 10.00 H new ATOM 610 N THR A 40 -8.662 0.635 6.872 1.00 10.00 N ATOM 611 CA THR A 40 -7.379 1.296 6.735 1.00 10.00 C ATOM 612 C THR A 40 -6.520 1.015 7.970 1.00 10.00 C ATOM 613 O THR A 40 -5.675 0.126 7.948 1.00 10.00 O ATOM 614 CB THR A 40 -7.617 2.791 6.492 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.816 3.204 7.130 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.772 3.063 4.999 1.00 10.00 C ATOM 0 H THR A 40 -9.270 1.101 7.546 1.00 10.00 H new ATOM 0 HA THR A 40 -6.827 0.909 5.878 1.00 10.00 H new ATOM 0 HB THR A 40 -6.763 3.337 6.892 1.00 10.00 H new ATOM 0 HG1 THR A 40 -9.587 2.849 6.639 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.941 4.128 4.839 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.865 2.757 4.477 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.621 2.499 4.613 1.00 10.00 H new ATOM 624 N GLY A 41 -6.754 1.740 9.067 1.00 10.00 N ATOM 625 CA GLY A 41 -6.009 1.591 10.312 1.00 10.00 C ATOM 626 C GLY A 41 -6.455 0.356 11.088 1.00 10.00 C ATOM 627 O GLY A 41 -6.955 0.465 12.205 1.00 10.00 O ATOM 0 H GLY A 41 -7.478 2.457 9.112 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.944 1.519 10.093 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.148 2.479 10.929 1.00 10.00 H new ATOM 631 N GLN A 42 -6.266 -0.810 10.476 1.00 10.00 N ATOM 632 CA GLN A 42 -6.536 -2.128 11.030 1.00 10.00 C ATOM 633 C GLN A 42 -5.452 -3.092 10.534 1.00 10.00 C ATOM 634 O GLN A 42 -5.583 -3.687 9.468 1.00 10.00 O ATOM 635 CB GLN A 42 -7.950 -2.577 10.616 1.00 10.00 C ATOM 636 CG GLN A 42 -8.977 -2.426 11.745 1.00 10.00 C ATOM 637 CD GLN A 42 -8.844 -3.541 12.782 1.00 10.00 C ATOM 638 OE1 GLN A 42 -7.746 -3.986 13.098 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.964 -4.030 13.308 1.00 10.00 N ATOM 0 H GLN A 42 -5.899 -0.860 9.526 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.508 -2.112 12.120 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.274 -1.992 9.756 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.917 -3.619 10.299 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.844 -1.459 12.231 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.983 -2.437 11.326 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.867 -3.646 13.032 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.919 -4.789 13.988 1.00 10.00 H new ATOM 648 N ALA A 43 -4.370 -3.234 11.305 1.00 10.00 N ATOM 649 CA ALA A 43 -3.247 -4.109 10.990 1.00 10.00 C ATOM 650 C ALA A 43 -3.303 -5.360 11.874 1.00 10.00 C ATOM 651 O ALA A 43 -3.775 -5.262 13.006 1.00 10.00 O ATOM 652 CB ALA A 43 -1.946 -3.348 11.238 1.00 10.00 C ATOM 0 H ALA A 43 -4.252 -2.731 12.184 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.296 -4.418 9.946 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.098 -3.992 11.006 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.915 -2.464 10.602 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.896 -3.045 12.284 1.00 10.00 H new ATOM 658 N PRO A 44 -2.837 -6.530 11.396 1.00 10.00 N ATOM 659 CA PRO A 44 -2.957 -7.769 12.148 1.00 10.00 C ATOM 660 C PRO A 44 -1.961 -7.843 13.306 1.00 10.00 C ATOM 661 O PRO A 44 -2.359 -7.927 14.464 1.00 10.00 O ATOM 662 CB PRO A 44 -2.768 -8.895 11.126 1.00 10.00 C ATOM 663 CG PRO A 44 -1.940 -8.261 10.005 1.00 10.00 C ATOM 664 CD PRO A 44 -2.331 -6.782 10.051 1.00 10.00 C ATOM 0 HA PRO A 44 -3.930 -7.847 12.633 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.252 -9.748 11.566 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.726 -9.259 10.755 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.871 -8.397 10.171 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.171 -8.706 9.037 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.472 -6.147 9.834 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.091 -6.558 9.302 1.00 10.00 H new ATOM 672 N GLY A 45 -0.665 -7.842 12.991 1.00 10.00 N ATOM 673 CA GLY A 45 0.413 -7.911 13.965 1.00 10.00 C ATOM 674 C GLY A 45 1.550 -7.030 13.474 1.00 10.00 C ATOM 675 O GLY A 45 2.665 -7.488 13.238 1.00 10.00 O ATOM 0 H GLY A 45 -0.333 -7.792 12.028 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.065 -7.575 14.942 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.753 -8.940 14.084 1.00 10.00 H new ATOM 679 N PHE A 46 1.226 -5.753 13.294 1.00 10.00 N ATOM 680 CA PHE A 46 2.159 -4.675 13.011 1.00 10.00 C ATOM 681 C PHE A 46 1.740 -3.519 13.929 1.00 10.00 C ATOM 682 O PHE A 46 0.688 -3.604 14.564 1.00 10.00 O ATOM 683 CB PHE A 46 2.082 -4.331 11.514 1.00 10.00 C ATOM 684 CG PHE A 46 2.699 -3.012 11.082 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.091 -2.900 10.901 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.868 -1.914 10.788 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.643 -1.700 10.417 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.423 -0.705 10.335 1.00 10.00 C ATOM 689 CZ PHE A 46 3.811 -0.599 10.147 1.00 10.00 C ATOM 0 H PHE A 46 0.260 -5.430 13.345 1.00 10.00 H new ATOM 0 HA PHE A 46 3.201 -4.929 13.206 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.567 -5.132 10.956 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.032 -4.328 11.220 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.735 -3.735 11.134 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.799 -2.001 10.911 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.708 -1.624 10.252 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.783 0.141 10.132 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.239 0.328 9.795 1.00 10.00 H new ATOM 699 N THR A 47 2.558 -2.469 14.029 1.00 10.00 N ATOM 700 CA THR A 47 2.240 -1.301 14.842 1.00 10.00 C ATOM 701 C THR A 47 1.149 -0.452 14.167 1.00 10.00 C ATOM 702 O THR A 47 0.431 -0.922 13.284 1.00 10.00 O ATOM 703 CB THR A 47 3.534 -0.532 15.184 1.00 10.00 C ATOM 704 OG1 THR A 47 3.268 0.509 16.104 1.00 10.00 O ATOM 705 CG2 THR A 47 4.236 0.055 13.957 1.00 10.00 C ATOM 0 H THR A 47 3.456 -2.408 13.549 1.00 10.00 H new ATOM 0 HA THR A 47 1.812 -1.608 15.796 1.00 10.00 H new ATOM 0 HB THR A 47 4.206 -1.268 15.625 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.100 0.984 16.310 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.137 0.582 14.271 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.505 -0.749 13.272 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.566 0.751 13.453 1.00 10.00 H new ATOM 713 N TYR A 48 1.013 0.803 14.594 1.00 10.00 N ATOM 714 CA TYR A 48 0.006 1.735 14.114 1.00 10.00 C ATOM 715 C TYR A 48 0.654 3.098 13.887 1.00 10.00 C ATOM 716 O TYR A 48 1.783 3.337 14.311 1.00 10.00 O ATOM 717 CB TYR A 48 -1.128 1.845 15.147 1.00 10.00 C ATOM 718 CG TYR A 48 -1.700 0.521 15.623 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.784 -0.070 14.947 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.149 -0.118 16.751 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.314 -1.293 15.398 1.00 10.00 C ATOM 722 CE2 TYR A 48 -1.674 -1.342 17.195 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.751 -1.934 16.515 1.00 10.00 C ATOM 724 OH TYR A 48 -3.272 -3.108 16.971 1.00 10.00 O ATOM 0 H TYR A 48 1.622 1.207 15.306 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.413 1.378 13.173 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -0.757 2.394 16.012 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.935 2.437 14.715 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -3.209 0.416 14.081 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -0.321 0.335 17.276 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.154 -1.739 14.886 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -1.249 -1.829 18.060 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.761 -3.412 17.750 1.00 10.00 H new ATOM 734 N THR A 49 -0.073 3.985 13.208 1.00 10.00 N ATOM 735 CA THR A 49 0.382 5.305 12.809 1.00 10.00 C ATOM 736 C THR A 49 -0.819 6.241 12.897 1.00 10.00 C ATOM 737 O THR A 49 -1.873 5.890 12.353 1.00 10.00 O ATOM 738 CB THR A 49 0.882 5.239 11.359 1.00 10.00 C ATOM 739 OG1 THR A 49 -0.115 4.634 10.560 1.00 10.00 O ATOM 740 CG2 THR A 49 2.175 4.429 11.224 1.00 10.00 C ATOM 0 H THR A 49 -1.030 3.791 12.913 1.00 10.00 H new ATOM 0 HA THR A 49 1.191 5.658 13.448 1.00 10.00 H new ATOM 0 HB THR A 49 1.090 6.258 11.034 1.00 10.00 H new ATOM 0 HG1 THR A 49 -0.989 4.743 10.989 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.487 4.413 10.180 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.957 4.888 11.829 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.003 3.409 11.567 1.00 10.00 H new ATOM 748 N ASP A 50 -0.666 7.404 13.539 1.00 10.00 N ATOM 749 CA ASP A 50 -1.721 8.403 13.667 1.00 10.00 C ATOM 750 C ASP A 50 -2.009 9.055 12.314 1.00 10.00 C ATOM 751 O ASP A 50 -1.609 10.186 12.046 1.00 10.00 O ATOM 752 CB ASP A 50 -1.337 9.450 14.716 1.00 10.00 C ATOM 753 CG ASP A 50 -2.439 10.492 14.888 1.00 10.00 C ATOM 754 OD1 ASP A 50 -3.603 10.151 14.577 1.00 10.00 O ATOM 755 OD2 ASP A 50 -2.098 11.601 15.349 1.00 10.00 O ATOM 0 H ASP A 50 0.208 7.677 13.989 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.634 7.909 14.001 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.146 8.959 15.670 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -0.411 9.942 14.420 1.00 10.00 H new ATOM 760 N ALA A 51 -2.663 8.295 11.437 1.00 10.00 N ATOM 761 CA ALA A 51 -3.019 8.711 10.096 1.00 10.00 C ATOM 762 C ALA A 51 -3.887 7.642 9.442 1.00 10.00 C ATOM 763 O ALA A 51 -4.997 7.925 9.003 1.00 10.00 O ATOM 764 CB ALA A 51 -1.765 8.952 9.259 1.00 10.00 C ATOM 0 H ALA A 51 -2.966 7.345 11.654 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.578 9.645 10.154 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -2.052 9.264 8.255 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.162 9.733 9.723 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.184 8.032 9.201 1.00 10.00 H new ATOM 770 N ASN A 52 -3.400 6.398 9.398 1.00 10.00 N ATOM 771 CA ASN A 52 -4.128 5.293 8.773 1.00 10.00 C ATOM 772 C ASN A 52 -5.503 5.136 9.416 1.00 10.00 C ATOM 773 O ASN A 52 -6.517 5.010 8.736 1.00 10.00 O ATOM 774 CB ASN A 52 -3.337 3.984 8.883 1.00 10.00 C ATOM 775 CG ASN A 52 -2.142 3.929 7.940 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.984 4.777 7.066 1.00 10.00 O ATOM 777 ND2 ASN A 52 -1.303 2.920 8.114 1.00 10.00 N ATOM 0 H ASN A 52 -2.498 6.131 9.792 1.00 10.00 H new ATOM 0 HA ASN A 52 -4.257 5.524 7.716 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -2.989 3.861 9.909 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -4.000 3.146 8.669 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -0.487 2.825 7.509 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.472 2.238 8.853 1.00 10.00 H new ATOM 784 N LYS A 53 -5.543 5.170 10.747 1.00 10.00 N ATOM 785 CA LYS A 53 -6.808 5.165 11.479 1.00 10.00 C ATOM 786 C LYS A 53 -7.638 6.410 11.146 1.00 10.00 C ATOM 787 O LYS A 53 -8.853 6.324 10.979 1.00 10.00 O ATOM 788 CB LYS A 53 -6.548 5.042 12.990 1.00 10.00 C ATOM 789 CG LYS A 53 -7.509 4.052 13.673 1.00 10.00 C ATOM 790 CD LYS A 53 -8.991 4.464 13.674 1.00 10.00 C ATOM 791 CE LYS A 53 -9.237 5.713 14.536 1.00 10.00 C ATOM 792 NZ LYS A 53 -10.658 6.117 14.542 1.00 10.00 N ATOM 0 H LYS A 53 -4.714 5.201 11.340 1.00 10.00 H new ATOM 0 HA LYS A 53 -7.390 4.297 11.167 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.520 4.718 13.154 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.651 6.023 13.454 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.419 3.085 13.178 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.187 3.913 14.705 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -9.315 4.659 12.652 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -9.597 3.639 14.048 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -8.913 5.516 15.558 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.629 6.536 14.161 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -10.776 6.963 15.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -10.962 6.331 13.571 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -11.238 5.342 14.924 1.00 10.00 H new ATOM 806 N ASN A 54 -6.980 7.568 11.065 1.00 10.00 N ATOM 807 CA ASN A 54 -7.620 8.841 10.759 1.00 10.00 C ATOM 808 C ASN A 54 -8.344 8.776 9.409 1.00 10.00 C ATOM 809 O ASN A 54 -9.434 9.317 9.253 1.00 10.00 O ATOM 810 CB ASN A 54 -6.571 9.963 10.778 1.00 10.00 C ATOM 811 CG ASN A 54 -7.194 11.274 11.231 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.618 12.089 10.419 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.254 11.478 12.544 1.00 10.00 N ATOM 0 H ASN A 54 -5.974 7.645 11.213 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.371 9.055 11.519 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.754 9.693 11.447 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.142 10.083 9.783 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.664 12.338 12.908 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.890 10.775 13.187 1.00 10.00 H new ATOM 820 N LYS A 55 -7.728 8.076 8.452 1.00 10.00 N ATOM 821 CA LYS A 55 -8.217 7.837 7.098 1.00 10.00 C ATOM 822 C LYS A 55 -9.657 7.318 7.113 1.00 10.00 C ATOM 823 O LYS A 55 -10.519 7.834 6.406 1.00 10.00 O ATOM 824 CB LYS A 55 -7.259 6.838 6.422 1.00 10.00 C ATOM 825 CG LYS A 55 -7.045 7.062 4.918 1.00 10.00 C ATOM 826 CD LYS A 55 -5.622 6.605 4.518 1.00 10.00 C ATOM 827 CE LYS A 55 -4.990 7.471 3.419 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.578 7.226 2.091 1.00 10.00 N ATOM 0 H LYS A 55 -6.822 7.637 8.615 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.235 8.769 6.534 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.292 6.889 6.923 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.644 5.829 6.573 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.789 6.505 4.348 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.180 8.116 4.675 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.981 6.625 5.399 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.663 5.571 4.177 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.112 8.523 3.677 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.919 7.274 3.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -4.834 6.914 1.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -6.307 6.488 2.165 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -6.008 8.103 1.735 1.00 10.00 H new ATOM 842 N GLY A 56 -9.906 6.282 7.917 1.00 10.00 N ATOM 843 CA GLY A 56 -11.245 5.792 8.200 1.00 10.00 C ATOM 844 C GLY A 56 -11.982 5.208 6.992 1.00 10.00 C ATOM 845 O GLY A 56 -13.213 5.223 6.959 1.00 10.00 O ATOM 0 H GLY A 56 -9.171 5.758 8.392 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -11.181 5.027 8.974 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.838 6.610 8.609 1.00 10.00 H new ATOM 849 N ILE A 57 -11.256 4.617 6.040 1.00 10.00 N ATOM 850 CA ILE A 57 -11.812 4.069 4.805 1.00 10.00 C ATOM 851 C ILE A 57 -11.345 2.624 4.660 1.00 10.00 C ATOM 852 O ILE A 57 -10.815 2.055 5.615 1.00 10.00 O ATOM 853 CB ILE A 57 -11.501 4.978 3.584 1.00 10.00 C ATOM 854 CG1 ILE A 57 -10.138 5.671 3.608 1.00 10.00 C ATOM 855 CG2 ILE A 57 -12.631 5.992 3.393 1.00 10.00 C ATOM 856 CD1 ILE A 57 -9.965 6.671 2.464 1.00 10.00 C ATOM 0 H ILE A 57 -10.245 4.505 6.110 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.901 4.053 4.849 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.441 4.306 2.728 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -10.015 6.188 4.559 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.351 4.919 3.550 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -12.409 6.627 2.536 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -13.569 5.464 3.220 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -12.722 6.608 4.287 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -8.980 7.133 2.530 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -10.059 6.152 1.510 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -10.733 7.442 2.535 1.00 10.00 H new ATOM 868 N THR A 58 -11.591 2.016 3.502 1.00 10.00 N ATOM 869 CA THR A 58 -11.181 0.677 3.143 1.00 10.00 C ATOM 870 C THR A 58 -10.181 0.768 1.993 1.00 10.00 C ATOM 871 O THR A 58 -10.367 1.540 1.050 1.00 10.00 O ATOM 872 CB THR A 58 -12.425 -0.133 2.742 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.166 0.586 1.778 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.349 -0.389 3.936 1.00 10.00 C ATOM 0 H THR A 58 -12.110 2.476 2.754 1.00 10.00 H new ATOM 0 HA THR A 58 -10.701 0.174 3.982 1.00 10.00 H new ATOM 0 HB THR A 58 -12.075 -1.087 2.349 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.958 0.069 1.521 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.215 -0.964 3.609 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.809 -0.948 4.700 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.681 0.563 4.350 1.00 10.00 H new ATOM 882 N TRP A 59 -9.110 -0.021 2.063 1.00 10.00 N ATOM 883 CA TRP A 59 -8.147 -0.110 0.982 1.00 10.00 C ATOM 884 C TRP A 59 -8.739 -0.852 -0.211 1.00 10.00 C ATOM 885 O TRP A 59 -8.412 -2.012 -0.430 1.00 10.00 O ATOM 886 CB TRP A 59 -6.889 -0.797 1.507 1.00 10.00 C ATOM 887 CG TRP A 59 -6.091 0.071 2.411 1.00 10.00 C ATOM 888 CD1 TRP A 59 -5.834 -0.125 3.720 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.440 1.314 2.052 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.034 0.908 4.172 1.00 10.00 N ATOM 891 CE2 TRP A 59 -4.813 1.858 3.203 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.313 2.026 0.848 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.119 3.078 3.175 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.569 3.209 0.792 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.009 3.765 1.956 1.00 10.00 C ATOM 0 H TRP A 59 -8.892 -0.610 2.867 1.00 10.00 H new ATOM 0 HA TRP A 59 -7.887 0.889 0.632 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.172 -1.705 2.040 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.269 -1.102 0.664 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.193 -0.951 4.316 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.652 0.959 5.116 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.795 1.656 -0.045 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -3.678 3.481 4.075 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.423 3.702 -0.158 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.497 4.715 1.912 1.00 10.00 H new ATOM 906 N LYS A 60 -9.617 -0.196 -0.976 1.00 10.00 N ATOM 907 CA LYS A 60 -10.312 -0.856 -2.074 1.00 10.00 C ATOM 908 C LYS A 60 -9.490 -0.869 -3.367 1.00 10.00 C ATOM 909 O LYS A 60 -9.313 -1.931 -3.954 1.00 10.00 O ATOM 910 CB LYS A 60 -11.728 -0.296 -2.266 1.00 10.00 C ATOM 911 CG LYS A 60 -11.833 1.233 -2.386 1.00 10.00 C ATOM 912 CD LYS A 60 -13.191 1.647 -2.972 1.00 10.00 C ATOM 913 CE LYS A 60 -13.195 1.443 -4.497 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.428 1.922 -5.151 1.00 10.00 N ATOM 0 H LYS A 60 -9.859 0.787 -0.852 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.429 -1.903 -1.795 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.156 -0.742 -3.164 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.343 -0.619 -1.426 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.703 1.688 -1.404 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.030 1.608 -3.020 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.987 1.058 -2.517 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.394 2.692 -2.737 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -12.339 1.963 -4.928 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.066 0.383 -4.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.365 1.755 -6.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.247 1.409 -4.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.542 2.940 -4.973 1.00 10.00 H new ATOM 928 N GLU A 61 -9.031 0.305 -3.817 1.00 10.00 N ATOM 929 CA GLU A 61 -8.272 0.553 -5.042 1.00 10.00 C ATOM 930 C GLU A 61 -8.209 2.060 -5.324 1.00 10.00 C ATOM 931 O GLU A 61 -7.127 2.611 -5.195 1.00 10.00 O ATOM 932 CB GLU A 61 -8.641 -0.329 -6.251 1.00 10.00 C ATOM 933 CG GLU A 61 -10.136 -0.620 -6.478 1.00 10.00 C ATOM 934 CD GLU A 61 -10.793 0.328 -7.450 1.00 10.00 C ATOM 935 OE1 GLU A 61 -11.271 1.365 -6.945 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.827 -0.027 -8.647 1.00 10.00 O ATOM 0 H GLU A 61 -9.194 1.166 -3.295 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.253 0.212 -4.857 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.249 0.148 -7.149 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.123 -1.282 -6.145 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.248 -1.640 -6.846 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.657 -0.567 -5.522 1.00 10.00 H new ATOM 943 N GLU A 62 -9.322 2.749 -5.610 1.00 10.00 N ATOM 944 CA GLU A 62 -9.397 4.218 -5.703 1.00 10.00 C ATOM 945 C GLU A 62 -8.419 4.962 -4.779 1.00 10.00 C ATOM 946 O GLU A 62 -7.486 5.618 -5.237 1.00 10.00 O ATOM 947 CB GLU A 62 -10.829 4.664 -5.362 1.00 10.00 C ATOM 948 CG GLU A 62 -11.801 4.473 -6.532 1.00 10.00 C ATOM 949 CD GLU A 62 -12.227 5.809 -7.123 1.00 10.00 C ATOM 950 OE1 GLU A 62 -11.317 6.567 -7.519 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.454 6.048 -7.127 1.00 10.00 O ATOM 0 H GLU A 62 -10.217 2.293 -5.788 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.116 4.475 -6.724 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.186 4.098 -4.502 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -10.819 5.714 -5.071 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.329 3.866 -7.304 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.681 3.927 -6.191 1.00 10.00 H new ATOM 958 N THR A 63 -8.617 4.872 -3.460 1.00 10.00 N ATOM 959 CA THR A 63 -7.757 5.585 -2.524 1.00 10.00 C ATOM 960 C THR A 63 -6.291 5.159 -2.687 1.00 10.00 C ATOM 961 O THR A 63 -5.384 5.979 -2.562 1.00 10.00 O ATOM 962 CB THR A 63 -8.307 5.408 -1.099 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.466 6.203 -0.966 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.296 5.811 -0.027 1.00 10.00 C ATOM 0 H THR A 63 -9.356 4.319 -3.025 1.00 10.00 H new ATOM 0 HA THR A 63 -7.766 6.653 -2.740 1.00 10.00 H new ATOM 0 HB THR A 63 -8.530 4.351 -0.952 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.194 5.661 -0.596 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.735 5.666 0.960 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.402 5.195 -0.120 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.029 6.860 -0.155 1.00 10.00 H new ATOM 972 N LEU A 64 -6.065 3.879 -2.977 1.00 10.00 N ATOM 973 CA LEU A 64 -4.764 3.288 -3.241 1.00 10.00 C ATOM 974 C LEU A 64 -4.116 3.962 -4.454 1.00 10.00 C ATOM 975 O LEU A 64 -2.976 4.406 -4.365 1.00 10.00 O ATOM 976 CB LEU A 64 -4.969 1.772 -3.419 1.00 10.00 C ATOM 977 CG LEU A 64 -4.063 0.883 -2.576 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.704 -0.504 -2.426 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.679 0.774 -3.220 1.00 10.00 C ATOM 0 H LEU A 64 -6.822 3.198 -3.036 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.073 3.445 -2.413 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.006 1.533 -3.182 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.817 1.524 -4.469 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.941 1.325 -1.587 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.057 -1.141 -1.823 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.673 -0.406 -1.937 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.838 -0.951 -3.411 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.042 0.136 -2.607 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.774 0.342 -4.216 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.234 1.766 -3.296 1.00 10.00 H new ATOM 991 N MET A 65 -4.846 4.088 -5.568 1.00 10.00 N ATOM 992 CA MET A 65 -4.372 4.737 -6.782 1.00 10.00 C ATOM 993 C MET A 65 -3.740 6.097 -6.470 1.00 10.00 C ATOM 994 O MET A 65 -2.687 6.415 -7.034 1.00 10.00 O ATOM 995 CB MET A 65 -5.507 4.866 -7.822 1.00 10.00 C ATOM 996 CG MET A 65 -5.661 3.628 -8.718 1.00 10.00 C ATOM 997 SD MET A 65 -6.217 3.964 -10.415 1.00 10.00 S ATOM 998 CE MET A 65 -7.945 4.414 -10.144 1.00 10.00 C ATOM 0 H MET A 65 -5.799 3.733 -5.646 1.00 10.00 H new ATOM 0 HA MET A 65 -3.596 4.108 -7.218 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.447 5.047 -7.301 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.317 5.737 -8.449 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.703 3.110 -8.763 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.370 2.946 -8.249 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.415 4.647 -11.100 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.469 3.581 -9.676 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.996 5.287 -9.493 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.363 6.876 -5.581 1.00 10.00 N ATOM 1009 CA GLU A 66 -3.836 8.165 -5.168 1.00 10.00 C ATOM 1010 C GLU A 66 -2.661 7.933 -4.227 1.00 10.00 C ATOM 1011 O GLU A 66 -1.569 8.420 -4.477 1.00 10.00 O ATOM 1012 CB GLU A 66 -4.930 8.986 -4.483 1.00 10.00 C ATOM 1013 CG GLU A 66 -5.895 9.616 -5.498 1.00 10.00 C ATOM 1014 CD GLU A 66 -5.515 11.065 -5.785 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -4.437 11.266 -6.386 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.277 11.953 -5.347 1.00 10.00 O ATOM 0 H GLU A 66 -5.244 6.625 -5.133 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.495 8.725 -6.038 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -5.489 8.347 -3.799 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.472 9.772 -3.882 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.880 9.042 -6.424 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.914 9.573 -5.112 1.00 10.00 H new ATOM 1023 N TYR A 67 -2.874 7.173 -3.152 1.00 10.00 N ATOM 1024 CA TYR A 67 -1.861 6.908 -2.136 1.00 10.00 C ATOM 1025 C TYR A 67 -0.508 6.543 -2.755 1.00 10.00 C ATOM 1026 O TYR A 67 0.533 7.016 -2.304 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.367 5.800 -1.207 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.640 5.703 0.128 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.722 6.763 1.050 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -0.931 4.536 0.481 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.103 6.655 2.308 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.324 4.428 1.749 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.397 5.493 2.664 1.00 10.00 C ATOM 1034 OH TYR A 67 0.273 5.476 3.857 1.00 10.00 O ATOM 0 H TYR A 67 -3.768 6.719 -2.962 1.00 10.00 H new ATOM 0 HA TYR A 67 -1.696 7.818 -1.559 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.428 5.962 -1.016 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.278 4.844 -1.723 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.262 7.662 0.791 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.853 3.721 -0.223 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.171 7.474 3.009 1.00 10.00 H new ATOM 0 HE2 TYR A 67 0.200 3.523 2.019 1.00 10.00 H new ATOM 0 HH TYR A 67 0.587 4.566 4.043 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.524 5.713 -3.802 1.00 10.00 N ATOM 1045 CA LEU A 68 0.671 5.399 -4.566 1.00 10.00 C ATOM 1046 C LEU A 68 1.119 6.604 -5.395 1.00 10.00 C ATOM 1047 O LEU A 68 2.244 7.072 -5.234 1.00 10.00 O ATOM 1048 CB LEU A 68 0.441 4.174 -5.460 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.030 2.930 -4.698 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.106 1.746 -5.666 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.833 2.589 -3.480 1.00 10.00 C ATOM 0 H LEU A 68 -1.366 5.245 -4.137 1.00 10.00 H new ATOM 0 HA LEU A 68 1.469 5.158 -3.863 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.299 4.425 -6.220 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.368 3.939 -5.983 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.019 3.152 -4.296 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.441 0.858 -5.129 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.811 1.974 -6.465 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.880 1.562 -6.093 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.438 1.698 -2.992 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.858 2.403 -3.801 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.818 3.423 -2.778 1.00 10.00 H new ATOM 1063 N GLU A 69 0.265 7.102 -6.297 1.00 10.00 N ATOM 1064 CA GLU A 69 0.642 8.126 -7.271 1.00 10.00 C ATOM 1065 C GLU A 69 0.295 9.534 -6.767 1.00 10.00 C ATOM 1066 O GLU A 69 -0.238 10.358 -7.505 1.00 10.00 O ATOM 1067 CB GLU A 69 0.011 7.772 -8.632 1.00 10.00 C ATOM 1068 CG GLU A 69 0.991 7.871 -9.808 1.00 10.00 C ATOM 1069 CD GLU A 69 1.523 9.283 -9.998 1.00 10.00 C ATOM 1070 OE1 GLU A 69 2.441 9.637 -9.227 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.007 9.963 -10.910 1.00 10.00 O ATOM 0 H GLU A 69 -0.708 6.804 -6.370 1.00 10.00 H new ATOM 0 HA GLU A 69 1.724 8.141 -7.406 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.387 6.758 -8.586 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.833 8.437 -8.816 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.826 7.190 -9.641 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.493 7.547 -10.722 1.00 10.00 H new ATOM 1078 N ASN A 70 0.579 9.781 -5.484 1.00 10.00 N ATOM 1079 CA ASN A 70 0.145 10.929 -4.683 1.00 10.00 C ATOM 1080 C ASN A 70 0.161 10.526 -3.197 1.00 10.00 C ATOM 1081 O ASN A 70 -0.862 10.576 -2.514 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.251 11.447 -5.119 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.220 12.651 -6.055 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.242 13.393 -6.123 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.331 12.905 -6.735 1.00 10.00 N ATOM 0 H ASN A 70 1.158 9.140 -4.941 1.00 10.00 H new ATOM 0 HA ASN A 70 0.836 11.757 -4.843 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.787 10.635 -5.611 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.820 11.711 -4.228 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.387 13.731 -7.331 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.129 12.274 -6.662 1.00 10.00 H new ATOM 1092 N PRO A 71 1.330 10.160 -2.643 1.00 10.00 N ATOM 1093 CA PRO A 71 1.445 9.899 -1.218 1.00 10.00 C ATOM 1094 C PRO A 71 1.215 11.198 -0.448 1.00 10.00 C ATOM 1095 O PRO A 71 0.421 11.241 0.492 1.00 10.00 O ATOM 1096 CB PRO A 71 2.857 9.341 -1.013 1.00 10.00 C ATOM 1097 CG PRO A 71 3.653 9.923 -2.181 1.00 10.00 C ATOM 1098 CD PRO A 71 2.621 10.031 -3.301 1.00 10.00 C ATOM 0 HA PRO A 71 0.705 9.187 -0.852 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.273 9.648 -0.053 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.863 8.251 -1.029 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.077 10.896 -1.932 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.484 9.276 -2.462 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.823 10.893 -3.937 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.646 9.150 -3.942 1.00 10.00 H new ATOM 1106 N LYS A 72 1.900 12.270 -0.863 1.00 10.00 N ATOM 1107 CA LYS A 72 1.929 13.536 -0.155 1.00 10.00 C ATOM 1108 C LYS A 72 0.692 14.381 -0.477 1.00 10.00 C ATOM 1109 O LYS A 72 0.790 15.517 -0.936 1.00 10.00 O ATOM 1110 CB LYS A 72 3.258 14.285 -0.402 1.00 10.00 C ATOM 1111 CG LYS A 72 3.627 14.792 -1.813 1.00 10.00 C ATOM 1112 CD LYS A 72 4.145 13.713 -2.781 1.00 10.00 C ATOM 1113 CE LYS A 72 5.011 14.338 -3.894 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.879 13.660 -5.207 1.00 10.00 N ATOM 0 H LYS A 72 2.457 12.272 -1.717 1.00 10.00 H new ATOM 0 HA LYS A 72 1.888 13.332 0.915 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.267 15.149 0.262 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.063 13.625 -0.078 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.748 15.262 -2.254 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.388 15.566 -1.716 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.730 12.976 -2.231 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.302 13.183 -3.225 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.738 15.387 -4.008 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.056 14.312 -3.586 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.365 14.219 -5.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 5.307 12.714 -5.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.872 13.571 -5.452 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.481 13.792 -0.265 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.769 14.363 -0.631 1.00 10.00 C ATOM 1130 C LYS A 73 -2.818 13.985 0.410 1.00 10.00 C ATOM 1131 O LYS A 73 -3.446 14.859 1.000 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.148 13.864 -2.035 1.00 10.00 C ATOM 1133 CG LYS A 73 -1.892 14.913 -3.128 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.218 15.569 -3.532 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.009 16.592 -4.655 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.297 17.067 -5.202 1.00 10.00 N ATOM 0 H LYS A 73 -0.562 12.877 0.179 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.713 15.451 -0.654 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.578 12.963 -2.262 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.202 13.585 -2.045 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.196 15.669 -2.765 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.428 14.443 -3.995 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.921 14.803 -3.860 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.663 16.060 -2.667 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -2.439 17.440 -4.275 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.417 16.142 -5.453 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.119 17.757 -5.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -4.829 16.261 -5.587 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.850 17.518 -4.446 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.021 12.683 0.625 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.014 12.206 1.578 1.00 10.00 C ATOM 1152 C TYR A 74 -3.532 12.430 3.011 1.00 10.00 C ATOM 1153 O TYR A 74 -4.121 13.195 3.768 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.311 10.721 1.328 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.459 10.462 0.374 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.317 10.716 -1.002 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.691 9.995 0.872 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.385 10.444 -1.876 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.705 9.605 -0.017 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.548 9.819 -1.396 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.497 9.361 -2.258 1.00 10.00 O ATOM 0 H TYR A 74 -2.507 11.942 0.148 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.935 12.772 1.440 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.413 10.245 0.934 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.533 10.242 2.282 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.391 11.118 -1.386 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.856 9.937 1.938 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.311 10.716 -2.918 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.605 9.141 0.359 1.00 10.00 H new ATOM 0 HH TYR A 74 -9.232 8.956 -1.751 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.488 11.700 3.404 1.00 10.00 N ATOM 1172 CA ILE A 75 -1.974 11.745 4.765 1.00 10.00 C ATOM 1173 C ILE A 75 -1.276 13.088 5.019 1.00 10.00 C ATOM 1174 O ILE A 75 -0.394 13.467 4.251 1.00 10.00 O ATOM 1175 CB ILE A 75 -1.008 10.577 5.036 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -0.082 10.361 3.807 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -1.812 9.293 5.293 1.00 10.00 C ATOM 1178 CD1 ILE A 75 1.236 9.640 4.070 1.00 10.00 C ATOM 0 H ILE A 75 -1.980 11.065 2.788 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.816 11.646 5.450 1.00 10.00 H new ATOM 0 HB ILE A 75 -0.402 10.813 5.910 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.636 9.797 3.057 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.142 11.335 3.373 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -1.127 8.467 5.485 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.459 9.436 6.158 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -2.421 9.064 4.418 1.00 10.00 H new ATOM 0 HD11 ILE A 75 1.794 9.549 3.138 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.824 10.208 4.791 1.00 10.00 H new ATOM 0 HD13 ILE A 75 1.034 8.646 4.470 1.00 10.00 H new ATOM 1190 N PRO A 76 -1.616 13.807 6.100 1.00 10.00 N ATOM 1191 CA PRO A 76 -0.987 15.084 6.407 1.00 10.00 C ATOM 1192 C PRO A 76 0.317 14.958 7.205 1.00 10.00 C ATOM 1193 O PRO A 76 0.898 15.971 7.586 1.00 10.00 O ATOM 1194 CB PRO A 76 -2.041 15.841 7.217 1.00 10.00 C ATOM 1195 CG PRO A 76 -2.791 14.730 7.955 1.00 10.00 C ATOM 1196 CD PRO A 76 -2.761 13.566 6.966 1.00 10.00 C ATOM 0 HA PRO A 76 -0.691 15.592 5.489 1.00 10.00 H new ATOM 0 HB2 PRO A 76 -1.584 16.546 7.911 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -2.707 16.415 6.572 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -2.303 14.471 8.895 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -3.812 15.026 8.197 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.663 12.614 7.487 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -3.684 13.520 6.389 1.00 10.00 H new ATOM 1204 N GLY A 77 0.780 13.737 7.474 1.00 10.00 N ATOM 1205 CA GLY A 77 2.018 13.489 8.203 1.00 10.00 C ATOM 1206 C GLY A 77 2.524 12.097 7.845 1.00 10.00 C ATOM 1207 O GLY A 77 2.960 11.867 6.719 1.00 10.00 O ATOM 0 H GLY A 77 0.298 12.885 7.187 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.765 14.240 7.946 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.846 13.564 9.277 1.00 10.00 H new ATOM 1211 N THR A 78 2.409 11.155 8.786 1.00 10.00 N ATOM 1212 CA THR A 78 2.735 9.735 8.614 1.00 10.00 C ATOM 1213 C THR A 78 4.224 9.464 8.375 1.00 10.00 C ATOM 1214 O THR A 78 4.863 8.803 9.189 1.00 10.00 O ATOM 1215 CB THR A 78 1.871 9.125 7.505 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.521 9.442 7.725 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.992 7.609 7.419 1.00 10.00 C ATOM 0 H THR A 78 2.073 11.368 9.725 1.00 10.00 H new ATOM 0 HA THR A 78 2.504 9.247 9.561 1.00 10.00 H new ATOM 0 HB THR A 78 2.233 9.548 6.568 1.00 10.00 H new ATOM 0 HG1 THR A 78 -0.047 8.760 7.309 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.356 7.238 6.615 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.028 7.338 7.217 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.678 7.165 8.364 1.00 10.00 H new ATOM 1225 N LYS A 79 4.759 9.904 7.234 1.00 10.00 N ATOM 1226 CA LYS A 79 6.163 9.774 6.878 1.00 10.00 C ATOM 1227 C LYS A 79 6.467 10.660 5.669 1.00 10.00 C ATOM 1228 O LYS A 79 7.408 11.444 5.710 1.00 10.00 O ATOM 1229 CB LYS A 79 6.564 8.304 6.646 1.00 10.00 C ATOM 1230 CG LYS A 79 5.906 7.629 5.430 1.00 10.00 C ATOM 1231 CD LYS A 79 6.353 6.171 5.257 1.00 10.00 C ATOM 1232 CE LYS A 79 5.305 5.198 5.789 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.047 5.353 7.235 1.00 10.00 N ATOM 0 H LYS A 79 4.207 10.373 6.516 1.00 10.00 H new ATOM 0 HA LYS A 79 6.772 10.117 7.715 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.646 8.254 6.528 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.314 7.731 7.539 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.822 7.663 5.541 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.152 8.191 4.529 1.00 10.00 H new ATOM 0 HD2 LYS A 79 6.537 5.968 4.202 1.00 10.00 H new ATOM 0 HD3 LYS A 79 7.296 6.014 5.781 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.373 5.344 5.243 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.633 4.177 5.593 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.150 4.887 7.479 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.822 4.917 7.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 4.988 6.364 7.471 1.00 10.00 H new ATOM 1247 N MET A 80 5.648 10.516 4.617 1.00 10.00 N ATOM 1248 CA MET A 80 5.812 11.131 3.308 1.00 10.00 C ATOM 1249 C MET A 80 7.116 10.682 2.621 1.00 10.00 C ATOM 1250 O MET A 80 8.215 11.019 3.048 1.00 10.00 O ATOM 1251 CB MET A 80 5.613 12.648 3.421 1.00 10.00 C ATOM 1252 CG MET A 80 5.674 13.338 2.057 1.00 10.00 C ATOM 1253 SD MET A 80 7.291 13.895 1.460 1.00 10.00 S ATOM 1254 CE MET A 80 7.738 15.087 2.745 1.00 10.00 C ATOM 0 H MET A 80 4.811 9.935 4.668 1.00 10.00 H new ATOM 0 HA MET A 80 5.035 10.777 2.630 1.00 10.00 H new ATOM 0 HB2 MET A 80 4.650 12.853 3.888 1.00 10.00 H new ATOM 0 HB3 MET A 80 6.379 13.066 4.073 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.262 12.652 1.317 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.013 14.204 2.091 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.491 15.774 2.358 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.853 15.649 3.044 1.00 10.00 H new ATOM 0 HE3 MET A 80 8.140 14.557 3.609 1.00 10.00 H new ATOM 1264 N ILE A 81 6.984 9.880 1.557 1.00 10.00 N ATOM 1265 CA ILE A 81 8.086 9.360 0.751 1.00 10.00 C ATOM 1266 C ILE A 81 7.632 9.346 -0.710 1.00 10.00 C ATOM 1267 O ILE A 81 6.564 9.877 -1.021 1.00 10.00 O ATOM 1268 CB ILE A 81 8.501 7.946 1.223 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.379 6.911 0.980 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.968 7.981 2.685 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.760 5.502 1.431 1.00 10.00 C ATOM 0 H ILE A 81 6.072 9.566 1.225 1.00 10.00 H new ATOM 0 HA ILE A 81 8.964 9.996 0.861 1.00 10.00 H new ATOM 0 HB ILE A 81 9.348 7.618 0.621 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.480 7.226 1.510 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.133 6.893 -0.082 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.256 6.978 2.999 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.824 8.650 2.778 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.156 8.341 3.318 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.932 4.821 1.234 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.641 5.170 0.882 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.979 5.508 2.499 1.00 10.00 H new ATOM 1283 N PHE A 82 8.394 8.665 -1.576 1.00 10.00 N ATOM 1284 CA PHE A 82 8.100 8.467 -2.990 1.00 10.00 C ATOM 1285 C PHE A 82 8.150 9.790 -3.759 1.00 10.00 C ATOM 1286 O PHE A 82 8.306 10.867 -3.187 1.00 10.00 O ATOM 1287 CB PHE A 82 6.754 7.728 -3.201 1.00 10.00 C ATOM 1288 CG PHE A 82 6.799 6.237 -3.481 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.732 5.696 -4.389 1.00 10.00 C ATOM 1290 CD2 PHE A 82 5.755 5.422 -2.996 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.698 4.327 -4.701 1.00 10.00 C ATOM 1292 CE2 PHE A 82 5.705 4.060 -3.331 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.694 3.509 -4.159 1.00 10.00 C ATOM 0 H PHE A 82 9.267 8.221 -1.292 1.00 10.00 H new ATOM 0 HA PHE A 82 8.880 7.824 -3.398 1.00 10.00 H new ATOM 0 HB2 PHE A 82 6.144 7.883 -2.311 1.00 10.00 H new ATOM 0 HB3 PHE A 82 6.235 8.209 -4.030 1.00 10.00 H new ATOM 0 HD1 PHE A 82 8.474 6.335 -4.845 1.00 10.00 H new ATOM 0 HD2 PHE A 82 4.990 5.848 -2.364 1.00 10.00 H new ATOM 0 HE1 PHE A 82 8.444 3.904 -5.358 1.00 10.00 H new ATOM 0 HE2 PHE A 82 4.907 3.438 -2.952 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.683 2.452 -4.380 1.00 10.00 H new ATOM 1303 N ALA A 83 8.012 9.687 -5.081 1.00 10.00 N ATOM 1304 CA ALA A 83 7.811 10.819 -5.968 1.00 10.00 C ATOM 1305 C ALA A 83 6.450 10.618 -6.626 1.00 10.00 C ATOM 1306 O ALA A 83 5.509 11.350 -6.311 1.00 10.00 O ATOM 1307 CB ALA A 83 8.969 10.912 -6.967 1.00 10.00 C ATOM 0 H ALA A 83 8.038 8.792 -5.570 1.00 10.00 H new ATOM 0 HA ALA A 83 7.809 11.772 -5.439 1.00 10.00 H new ATOM 0 HB1 ALA A 83 8.811 11.763 -7.629 1.00 10.00 H new ATOM 0 HB2 ALA A 83 9.906 11.042 -6.426 1.00 10.00 H new ATOM 0 HB3 ALA A 83 9.014 9.997 -7.558 1.00 10.00 H new ATOM 1313 N GLY A 84 6.359 9.583 -7.466 1.00 10.00 N ATOM 1314 CA GLY A 84 5.159 9.090 -8.118 1.00 10.00 C ATOM 1315 C GLY A 84 5.529 7.769 -8.797 1.00 10.00 C ATOM 1316 O GLY A 84 6.704 7.582 -9.125 1.00 10.00 O ATOM 0 H GLY A 84 7.181 9.036 -7.721 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.360 8.940 -7.392 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.794 9.811 -8.850 1.00 10.00 H new ATOM 1320 N ILE A 85 4.590 6.832 -8.975 1.00 10.00 N ATOM 1321 CA ILE A 85 4.814 5.659 -9.815 1.00 10.00 C ATOM 1322 C ILE A 85 5.006 6.106 -11.278 1.00 10.00 C ATOM 1323 O ILE A 85 4.671 7.229 -11.640 1.00 10.00 O ATOM 1324 CB ILE A 85 3.663 4.644 -9.602 1.00 10.00 C ATOM 1325 CG1 ILE A 85 4.018 3.517 -8.635 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.084 4.045 -10.885 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.987 2.469 -9.182 1.00 10.00 C ATOM 0 H ILE A 85 3.666 6.868 -8.545 1.00 10.00 H new ATOM 0 HA ILE A 85 5.730 5.139 -9.535 1.00 10.00 H new ATOM 0 HB ILE A 85 2.885 5.263 -9.155 1.00 10.00 H new ATOM 0 HG12 ILE A 85 4.452 3.955 -7.736 1.00 10.00 H new ATOM 0 HG13 ILE A 85 3.098 3.016 -8.334 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.285 3.347 -10.633 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.685 4.843 -11.511 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.869 3.517 -11.427 1.00 10.00 H new ATOM 0 HD11 ILE A 85 5.174 1.713 -8.419 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.552 1.996 -10.062 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.926 2.950 -9.455 1.00 10.00 H new ATOM 1339 N LYS A 86 5.556 5.213 -12.115 1.00 10.00 N ATOM 1340 CA LYS A 86 5.875 5.449 -13.524 1.00 10.00 C ATOM 1341 C LYS A 86 4.798 6.257 -14.257 1.00 10.00 C ATOM 1342 O LYS A 86 5.122 7.244 -14.912 1.00 10.00 O ATOM 1343 CB LYS A 86 6.131 4.125 -14.268 1.00 10.00 C ATOM 1344 CG LYS A 86 7.087 3.189 -13.512 1.00 10.00 C ATOM 1345 CD LYS A 86 7.628 2.072 -14.426 1.00 10.00 C ATOM 1346 CE LYS A 86 8.976 2.403 -15.084 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.426 1.316 -15.983 1.00 10.00 N ATOM 0 H LYS A 86 5.799 4.270 -11.812 1.00 10.00 H new ATOM 0 HA LYS A 86 6.787 6.046 -13.526 1.00 10.00 H new ATOM 0 HB2 LYS A 86 5.181 3.614 -14.428 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.546 4.342 -15.252 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.920 3.766 -13.110 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.567 2.745 -12.663 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.735 1.158 -13.842 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.895 1.868 -15.206 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.887 3.330 -15.650 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.727 2.571 -14.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.339 1.574 -16.410 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.534 0.437 -15.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.721 1.173 -16.734 1.00 10.00 H new ATOM 1361 N LYS A 87 3.539 5.807 -14.188 1.00 10.00 N ATOM 1362 CA LYS A 87 2.371 6.485 -14.721 1.00 10.00 C ATOM 1363 C LYS A 87 1.115 5.759 -14.226 1.00 10.00 C ATOM 1364 O LYS A 87 1.206 4.801 -13.455 1.00 10.00 O ATOM 1365 CB LYS A 87 2.430 6.526 -16.255 1.00 10.00 C ATOM 1366 CG LYS A 87 2.249 5.131 -16.861 1.00 10.00 C ATOM 1367 CD LYS A 87 3.023 4.910 -18.161 1.00 10.00 C ATOM 1368 CE LYS A 87 4.528 4.777 -17.891 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.248 4.320 -19.092 1.00 10.00 N ATOM 0 H LYS A 87 3.306 4.922 -13.738 1.00 10.00 H new ATOM 0 HA LYS A 87 2.344 7.517 -14.372 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.653 7.191 -16.632 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.387 6.940 -16.572 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.565 4.386 -16.131 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.189 4.963 -17.049 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.658 4.010 -18.657 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.844 5.743 -18.841 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.928 5.738 -17.568 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.693 4.073 -17.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.263 4.240 -18.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.881 3.392 -19.385 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.109 5.005 -19.862 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.055 6.184 -14.713 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.334 5.664 -14.258 1.00 10.00 C ATOM 1385 C LYS A 88 -1.456 4.162 -14.531 1.00 10.00 C ATOM 1386 O LYS A 88 -1.989 3.430 -13.703 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.513 6.490 -14.802 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.777 6.401 -16.320 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.276 6.253 -16.640 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.780 4.857 -16.224 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.216 4.627 -16.481 1.00 10.00 N ATOM 0 H LYS A 88 -0.135 6.900 -15.435 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.378 5.775 -13.175 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.417 6.177 -14.280 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.343 7.536 -14.547 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.389 7.295 -16.808 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.233 5.551 -16.733 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.844 7.022 -16.116 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.443 6.404 -17.706 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.202 4.102 -16.757 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.586 4.716 -15.161 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.482 3.680 -16.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.778 5.344 -15.979 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -6.401 4.695 -17.502 1.00 10.00 H new ATOM 1405 N THR A 89 -0.952 3.723 -15.687 1.00 10.00 N ATOM 1406 CA THR A 89 -0.900 2.339 -16.118 1.00 10.00 C ATOM 1407 C THR A 89 -0.268 1.501 -15.014 1.00 10.00 C ATOM 1408 O THR A 89 -0.978 0.778 -14.327 1.00 10.00 O ATOM 1409 CB THR A 89 -0.112 2.296 -17.439 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.545 3.380 -18.243 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.302 0.971 -18.184 1.00 10.00 C ATOM 0 H THR A 89 -0.552 4.360 -16.375 1.00 10.00 H new ATOM 0 HA THR A 89 -1.890 1.921 -16.300 1.00 10.00 H new ATOM 0 HB THR A 89 0.952 2.378 -17.218 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.055 3.374 -19.091 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.273 0.988 -19.110 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.043 0.149 -17.558 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.358 0.832 -18.416 1.00 10.00 H new ATOM 1419 N GLU A 90 1.031 1.673 -14.769 1.00 10.00 N ATOM 1420 CA GLU A 90 1.745 0.973 -13.732 1.00 10.00 C ATOM 1421 C GLU A 90 0.981 0.876 -12.411 1.00 10.00 C ATOM 1422 O GLU A 90 0.805 -0.234 -11.923 1.00 10.00 O ATOM 1423 CB GLU A 90 3.106 1.636 -13.542 1.00 10.00 C ATOM 1424 CG GLU A 90 4.184 1.016 -14.455 1.00 10.00 C ATOM 1425 CD GLU A 90 4.160 1.488 -15.909 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.177 2.156 -16.290 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.165 1.231 -16.612 1.00 10.00 O ATOM 0 H GLU A 90 1.616 2.317 -15.302 1.00 10.00 H new ATOM 0 HA GLU A 90 1.870 -0.060 -14.056 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.022 2.702 -13.752 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.414 1.540 -12.501 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.165 1.239 -14.034 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.069 -0.068 -14.440 1.00 10.00 H new ATOM 1434 N ARG A 91 0.545 1.984 -11.796 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.136 1.876 -10.511 1.00 10.00 C ATOM 1436 C ARG A 91 -1.419 1.034 -10.648 1.00 10.00 C ATOM 1437 O ARG A 91 -1.731 0.211 -9.787 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.395 3.240 -9.860 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.065 4.351 -10.676 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.574 4.435 -10.406 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.210 5.525 -11.162 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.400 6.797 -10.759 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.041 7.218 -9.541 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.963 7.675 -11.597 1.00 10.00 N ATOM 0 H ARG A 91 0.649 2.932 -12.157 1.00 10.00 H new ATOM 0 HA ARG A 91 0.534 1.354 -9.828 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.009 3.069 -8.976 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.564 3.623 -9.512 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.600 5.307 -10.436 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.896 4.172 -11.738 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -3.043 3.488 -10.672 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -2.744 4.586 -9.340 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.545 5.292 -12.097 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.608 6.569 -8.884 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.200 8.188 -9.269 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.244 7.379 -12.532 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.111 8.640 -11.301 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.156 1.233 -11.747 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.394 0.527 -12.042 1.00 10.00 C ATOM 1460 C GLU A 92 -3.115 -0.977 -12.219 1.00 10.00 C ATOM 1461 O GLU A 92 -3.860 -1.830 -11.731 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.022 1.192 -13.283 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.430 0.691 -13.585 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.012 1.293 -14.859 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.080 2.542 -14.944 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.379 0.492 -15.744 1.00 10.00 O ATOM 0 H GLU A 92 -1.896 1.906 -12.468 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.108 0.596 -11.222 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.052 2.271 -13.133 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.384 1.008 -14.148 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.412 -0.395 -13.677 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -6.083 0.929 -12.745 1.00 10.00 H new ATOM 1473 N ASP A 93 -2.011 -1.303 -12.894 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.553 -2.671 -13.117 1.00 10.00 C ATOM 1475 C ASP A 93 -1.205 -3.284 -11.761 1.00 10.00 C ATOM 1476 O ASP A 93 -1.611 -4.396 -11.430 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.329 -2.692 -14.048 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.615 -2.246 -15.476 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.674 -2.656 -16.002 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.244 -1.529 -16.033 1.00 10.00 O ATOM 0 H ASP A 93 -1.397 -0.603 -13.310 1.00 10.00 H new ATOM 0 HA ASP A 93 -2.340 -3.250 -13.599 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.443 -2.048 -13.627 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.077 -3.703 -14.071 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.474 -2.518 -10.953 1.00 10.00 N ATOM 1486 CA LEU A 94 -0.092 -2.862 -9.595 1.00 10.00 C ATOM 1487 C LEU A 94 -1.294 -3.386 -8.813 1.00 10.00 C ATOM 1488 O LEU A 94 -1.252 -4.517 -8.325 1.00 10.00 O ATOM 1489 CB LEU A 94 0.552 -1.643 -8.914 1.00 10.00 C ATOM 1490 CG LEU A 94 1.891 -1.988 -8.267 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.655 -0.699 -7.967 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.658 -2.766 -6.980 1.00 10.00 C ATOM 0 H LEU A 94 -0.121 -1.606 -11.243 1.00 10.00 H new ATOM 0 HA LEU A 94 0.646 -3.664 -9.618 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.698 -0.852 -9.650 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.126 -1.251 -8.156 1.00 10.00 H new ATOM 0 HG LEU A 94 2.476 -2.604 -8.949 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.612 -0.942 -7.505 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.828 -0.154 -8.895 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.071 -0.080 -7.287 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.617 -3.009 -6.523 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.071 -2.160 -6.290 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.119 -3.687 -7.204 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.372 -2.589 -8.730 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.616 -3.019 -8.094 1.00 10.00 C ATOM 1506 C ILE A 95 -4.048 -4.389 -8.610 1.00 10.00 C ATOM 1507 O ILE A 95 -4.477 -5.227 -7.824 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.748 -1.978 -8.266 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.715 -0.939 -7.143 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -6.152 -2.608 -8.224 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.686 0.158 -7.356 1.00 10.00 C ATOM 0 H ILE A 95 -2.401 -1.639 -9.100 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.418 -3.103 -7.025 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.570 -1.527 -9.242 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.702 -0.486 -7.050 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.506 -1.443 -6.200 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.904 -1.829 -8.350 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.247 -3.338 -9.028 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.300 -3.104 -7.264 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.721 0.857 -6.520 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.691 -0.283 -7.419 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.906 0.689 -8.282 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.984 -4.613 -9.921 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.428 -5.870 -10.512 1.00 10.00 C ATOM 1525 C ALA A 96 -3.718 -7.072 -9.898 1.00 10.00 C ATOM 1526 O ALA A 96 -4.372 -8.045 -9.522 1.00 10.00 O ATOM 1527 CB ALA A 96 -4.229 -5.860 -12.020 1.00 10.00 C ATOM 0 H ALA A 96 -3.627 -3.936 -10.595 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.492 -5.965 -10.295 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.567 -6.808 -12.438 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.805 -5.044 -12.458 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -3.172 -5.720 -12.247 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.388 -7.011 -9.788 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.661 -8.049 -9.073 1.00 10.00 C ATOM 1535 C TYR A 97 -2.123 -8.079 -7.628 1.00 10.00 C ATOM 1536 O TYR A 97 -2.599 -9.105 -7.146 1.00 10.00 O ATOM 1537 CB TYR A 97 -0.155 -7.811 -9.121 1.00 10.00 C ATOM 1538 CG TYR A 97 0.641 -8.750 -8.235 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.653 -10.130 -8.512 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.359 -8.253 -7.131 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.429 -11.001 -7.727 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.160 -9.120 -6.370 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.206 -10.490 -6.674 1.00 10.00 C ATOM 1544 OH TYR A 97 2.999 -11.317 -5.938 1.00 10.00 O ATOM 0 H TYR A 97 -1.808 -6.268 -10.178 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.867 -9.004 -9.556 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.188 -7.919 -10.150 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.051 -6.783 -8.823 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.065 -10.521 -9.329 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.294 -7.207 -6.870 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.428 -12.061 -7.933 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.743 -8.731 -5.548 1.00 10.00 H new ATOM 0 HH TYR A 97 3.467 -10.796 -5.252 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.949 -6.946 -6.948 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.242 -6.786 -5.537 1.00 10.00 C ATOM 1556 C LEU A 98 -3.560 -7.461 -5.144 1.00 10.00 C ATOM 1557 O LEU A 98 -3.563 -8.253 -4.206 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.183 -5.297 -5.158 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.128 -5.006 -4.077 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.037 -4.069 -4.574 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.792 -4.377 -2.861 1.00 10.00 C ATOM 0 H LEU A 98 -1.590 -6.095 -7.382 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.477 -7.301 -4.957 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.960 -4.708 -6.047 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.162 -4.977 -4.801 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.668 -5.959 -3.816 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.684 -3.894 -3.775 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.469 -4.520 -5.427 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.482 -3.121 -4.876 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.039 -4.174 -2.100 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.275 -3.444 -3.152 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.539 -5.062 -2.459 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.653 -7.184 -5.865 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.957 -7.824 -5.688 1.00 10.00 C ATOM 1575 C LYS A 99 -5.833 -9.327 -5.440 1.00 10.00 C ATOM 1576 O LYS A 99 -6.427 -9.850 -4.501 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.851 -7.589 -6.917 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.560 -6.231 -6.870 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.463 -6.064 -8.102 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.280 -4.766 -7.991 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.077 -4.485 -9.205 1.00 10.00 N ATOM 0 H LYS A 99 -4.652 -6.487 -6.610 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.411 -7.368 -4.808 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.245 -7.649 -7.821 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.595 -8.383 -6.979 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.155 -6.154 -5.960 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.823 -5.428 -6.838 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.856 -6.043 -9.007 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.134 -6.918 -8.188 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.947 -4.834 -7.132 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.604 -3.931 -7.804 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.607 -3.600 -9.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.442 -4.391 -10.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.743 -5.266 -9.371 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.086 -10.023 -6.298 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.852 -11.446 -6.131 1.00 10.00 C ATOM 1597 C LYS A 100 -3.905 -11.637 -4.948 1.00 10.00 C ATOM 1598 O LYS A 100 -4.236 -12.289 -3.966 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.247 -12.033 -7.412 1.00 10.00 C ATOM 1600 CG LYS A 100 -5.174 -11.865 -8.622 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.956 -13.152 -8.925 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.771 -12.997 -10.219 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.381 -14.274 -10.649 1.00 10.00 N ATOM 0 H LYS A 100 -4.634 -9.616 -7.117 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.791 -11.965 -5.938 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.293 -11.547 -7.617 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.039 -13.092 -7.261 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.874 -11.051 -8.434 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.585 -11.584 -9.495 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.265 -13.990 -9.022 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.623 -13.383 -8.094 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -7.555 -12.255 -10.067 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.124 -12.620 -11.011 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -7.921 -14.123 -11.525 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -6.633 -14.976 -10.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -8.019 -14.622 -9.905 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.730 -11.024 -5.058 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.550 -11.350 -4.271 1.00 10.00 C ATOM 1619 C ALA A 101 -1.807 -11.216 -2.775 1.00 10.00 C ATOM 1620 O ALA A 101 -1.434 -12.063 -1.975 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.418 -10.427 -4.711 1.00 10.00 C ATOM 0 H ALA A 101 -2.570 -10.263 -5.719 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.280 -12.392 -4.444 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.480 -10.652 -4.135 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.216 -10.579 -5.771 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.708 -9.390 -4.542 1.00 10.00 H new ATOM 1627 N THR A 102 -2.438 -10.112 -2.387 1.00 10.00 N ATOM 1628 CA THR A 102 -2.762 -9.877 -0.991 1.00 10.00 C ATOM 1629 C THR A 102 -3.855 -10.824 -0.499 1.00 10.00 C ATOM 1630 O THR A 102 -3.915 -11.108 0.695 1.00 10.00 O ATOM 1631 CB THR A 102 -3.187 -8.427 -0.795 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.292 -8.131 -1.611 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.049 -7.459 -1.103 1.00 10.00 C ATOM 0 H THR A 102 -2.733 -9.370 -3.021 1.00 10.00 H new ATOM 0 HA THR A 102 -1.868 -10.074 -0.399 1.00 10.00 H new ATOM 0 HB THR A 102 -3.461 -8.305 0.253 1.00 10.00 H new ATOM 0 HG1 THR A 102 -3.987 -7.971 -2.529 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.391 -6.435 -0.952 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.209 -7.663 -0.439 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.733 -7.587 -2.138 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.737 -11.269 -1.401 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.796 -12.207 -1.072 1.00 10.00 C ATOM 1643 C ASN A 103 -5.157 -13.564 -0.779 1.00 10.00 C ATOM 1644 O ASN A 103 -5.322 -14.085 0.322 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.831 -12.232 -2.207 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.088 -13.022 -1.866 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.029 -14.132 -1.357 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.257 -12.461 -2.169 1.00 10.00 N ATOM 0 H ASN A 103 -4.729 -10.983 -2.380 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.343 -11.908 -0.178 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.111 -11.208 -2.455 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.372 -12.662 -3.097 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.126 -12.958 -1.977 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.283 -11.534 -2.593 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.373 -14.077 -1.734 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.511 -15.238 -1.576 1.00 10.00 C ATOM 1657 C GLU A 104 -2.270 -15.032 -2.447 1.00 10.00 C ATOM 1658 O GLU A 104 -1.166 -15.347 -1.952 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.236 -16.526 -1.991 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.146 -17.085 -0.886 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.788 -18.417 -1.265 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -5.292 -19.053 -2.221 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.766 -18.787 -0.581 1.00 10.00 O ATOM 1664 OXT GLU A 104 -2.456 -14.589 -3.604 1.00 10.00 O ATOM 0 H GLU A 104 -4.325 -13.675 -2.670 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.230 -15.342 -0.528 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.833 -16.329 -2.881 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.498 -17.281 -2.263 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.564 -17.214 0.027 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.929 -16.360 -0.665 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 4.196 4.741 0.358 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.437 3.432 0.161 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.766 2.682 1.047 1.00 10.00 N HETATM 1675 C4 IMD A 105 3.067 3.587 1.853 1.00 10.00 C HETATM 1676 C5 IMD A 105 3.326 4.858 1.421 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.588 5.511 -0.184 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.924 5.782 1.836 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.421 3.322 2.690 1.00 10.00 H new HETATM 0 H2 IMD A 105 5.091 3.034 -0.615 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.784 0.728 1.214 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.507 1.054 3.725 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.255 0.091 -0.995 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.075 0.539 -1.331 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.347 0.997 3.475 1.00 10.00 C HETATM 1686 NA HEC A 110 1.779 0.644 1.329 1.00 10.00 N HETATM 1687 C1A HEC A 110 1.057 0.845 2.459 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.343 0.816 2.121 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.431 0.522 0.782 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.929 0.402 0.300 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.701 0.403 -0.043 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.472 1.127 3.074 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.733 0.047 4.133 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.925 0.630 5.543 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.915 0.658 6.280 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.058 1.067 5.852 1.00 10.00 O HETATM 1697 NB HEC A 110 3.688 0.413 -0.767 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.553 0.115 -1.451 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.923 -0.237 -2.801 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.271 0.006 -2.934 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.750 0.356 -1.618 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.014 -0.884 -3.820 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.101 -0.112 -4.204 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.484 0.669 -5.382 1.00 10.00 C HETATM 1705 NC HEC A 110 5.815 0.805 1.083 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.538 0.709 -0.058 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.941 0.803 0.262 1.00 10.00 C HETATM 1708 C3C HEC A 110 8.027 0.839 1.638 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.665 0.902 2.137 1.00 10.00 C HETATM 1710 CMC HEC A 110 9.080 0.813 -0.742 1.00 10.00 C HETATM 1711 CAC HEC A 110 9.256 0.602 2.504 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.643 0.874 1.906 1.00 10.00 C HETATM 1713 ND HEC A 110 3.903 0.978 3.222 1.00 10.00 N HETATM 1714 C1D HEC A 110 5.052 1.060 3.938 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.693 1.239 5.330 1.00 10.00 C HETATM 1716 C3D HEC A 110 3.324 1.230 5.402 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.832 1.096 4.054 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.612 1.394 6.518 1.00 10.00 C HETATM 1719 CAD HEC A 110 2.499 1.276 6.669 1.00 10.00 C HETATM 1720 CBD HEC A 110 2.413 2.653 7.323 1.00 10.00 C HETATM 1721 CGD HEC A 110 2.103 3.818 6.375 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.500 3.636 5.289 1.00 10.00 O HETATM 1723 O2D HEC A 110 2.594 4.905 6.746 1.00 10.00 O HETATM 0 HMD3 HEC A 110 6.243 0.510 6.608 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 6.239 2.275 6.380 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 5.018 1.510 7.425 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.063 -0.111 -1.321 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.966 1.664 -1.414 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 10.030 0.893 -0.214 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.671 -1.847 -3.442 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.155 -0.239 -4.003 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.560 -1.034 -4.752 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.330 -0.386 0.369 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.242 1.349 -0.017 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.444 0.160 -1.074 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.644 2.622 8.095 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 3.359 2.857 7.824 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.794 0.239 1.033 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.712 1.921 1.609 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.409 0.656 2.650 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.487 0.281 -5.593 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.415 1.725 -5.122 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.113 0.553 -6.265 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.621 -0.521 3.855 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -0.898 -0.653 4.145 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.490 0.933 6.442 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.921 0.573 7.387 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.254 2.067 3.580 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.384 1.279 2.498 1.00 10.00 H new HETATM 0 HHD HEC A 110 7.160 1.023 4.201 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.791 0.550 -2.153 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.459 -0.185 -1.687 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.773 1.195 4.518 1.00 10.00 H new HETATM 0 H2D HEC A 110 2.478 5.574 6.039 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.396 1.638 5.131 1.00 10.00 H new