USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 55 LYS NZ :NH3+ 149:sc= 1.48 (180deg=0) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= 0.93 USER MOD Set 2.1: A 52 ASN : amide:sc= 0.205 X(o=2.5,f=2.1) USER MOD Set 2.2: A 67 TYR OH : rot -139:sc= 1.16 USER MOD Set 2.3: A 78 THR OG1 : rot 120:sc= 1.13 USER MOD Set 3.1: A 40 THR OG1 : rot -122:sc= 0.839 USER MOD Set 3.2: A 48 TYR OH : rot -116:sc= 0.803 USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0.909 (180deg=0.612) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00363) USER MOD Single : A 7 LYS NZ :NH3+ 131:sc= 1.03 (180deg=-0.382) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 1.15 (180deg=1.02) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.402 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= -0.0025 X(o=-0.0025,f=-0.0047) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.738 K(o=-0.74,f=-4.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00502 X(o=-0.005,f=0) USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.48 USER MOD Single : A 49 THR OG1 : rot 39:sc= 0.127 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -114:sc= 1.14 (180deg=-0.706) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.38 USER MOD Single : A 65 MET CE :methyl -176:sc= -0.239 (180deg=-0.262) USER MOD Single : A 70 ASN : amide:sc= 0.608 K(o=0.61,f=-0.098) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 172:sc= -0.215 (180deg=-0.275) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -0.13 (180deg=-0.13) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 97 TYR OH : rot 4:sc= 1.24 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.14) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 1.16 (180deg=-0.27) USER MOD Single : A 102 THR OG1 : rot -160:sc= 0.579 USER MOD Single : A 103 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.59) USER MOD Single : A 105 HEC O2A : rot -130:sc= -0.0397 USER MOD Single : A 105 HEC O2D : rot 120:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.899 9.620 6.604 1.00 0.00 N ATOM 2 CA GLY A 1 -10.438 9.806 5.227 1.00 0.00 C ATOM 3 C GLY A 1 -10.367 11.284 4.910 1.00 0.00 C ATOM 4 O GLY A 1 -11.347 11.850 4.432 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.077 8.610 6.777 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.170 9.961 7.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.778 10.156 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.457 9.348 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.117 9.308 4.535 1.00 0.00 H new ATOM 10 N ASP A 2 -9.220 11.886 5.211 1.00 0.00 N ATOM 11 CA ASP A 2 -8.942 13.279 4.936 1.00 0.00 C ATOM 12 C ASP A 2 -7.754 13.267 3.990 1.00 0.00 C ATOM 13 O ASP A 2 -7.949 13.229 2.780 1.00 0.00 O ATOM 14 CB ASP A 2 -8.688 14.030 6.251 1.00 0.00 C ATOM 15 CG ASP A 2 -9.986 14.234 7.027 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.461 13.238 7.620 1.00 0.00 O ATOM 17 OD2 ASP A 2 -10.452 15.391 7.051 1.00 0.00 O ATOM 0 H ASP A 2 -8.445 11.401 5.663 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.773 13.809 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.980 13.470 6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.232 14.997 6.039 1.00 0.00 H new ATOM 22 N VAL A 3 -6.545 13.232 4.559 1.00 0.00 N ATOM 23 CA VAL A 3 -5.262 13.062 3.895 1.00 0.00 C ATOM 24 C VAL A 3 -4.146 13.004 4.951 1.00 0.00 C ATOM 25 O VAL A 3 -3.328 12.085 4.981 1.00 0.00 O ATOM 26 CB VAL A 3 -5.059 14.175 2.850 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.937 15.595 3.411 1.00 0.00 C ATOM 28 CG2 VAL A 3 -3.873 13.864 1.944 1.00 0.00 C ATOM 0 H VAL A 3 -6.437 13.329 5.569 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.233 12.119 3.349 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.985 14.174 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.797 16.299 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.845 15.850 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.082 15.648 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.752 14.666 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.968 13.780 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.050 12.923 1.422 1.00 0.00 H new ATOM 38 N GLU A 4 -4.153 13.986 5.853 1.00 0.00 N ATOM 39 CA GLU A 4 -3.158 14.149 6.907 1.00 0.00 C ATOM 40 C GLU A 4 -3.342 13.046 7.932 1.00 0.00 C ATOM 41 O GLU A 4 -2.393 12.363 8.317 1.00 0.00 O ATOM 42 CB GLU A 4 -3.358 15.510 7.582 1.00 0.00 C ATOM 43 CG GLU A 4 -2.812 16.666 6.735 1.00 0.00 C ATOM 44 CD GLU A 4 -1.287 16.724 6.786 1.00 0.00 C ATOM 45 OE1 GLU A 4 -0.787 17.391 7.716 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.652 16.085 5.916 1.00 0.00 O ATOM 0 H GLU A 4 -4.872 14.709 5.869 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.155 14.096 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.420 15.669 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.862 15.508 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.138 16.548 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.225 17.609 7.094 1.00 0.00 H new ATOM 53 N LYS A 5 -4.596 12.874 8.357 1.00 0.00 N ATOM 54 CA LYS A 5 -4.992 11.764 9.198 1.00 0.00 C ATOM 55 C LYS A 5 -4.497 10.484 8.547 1.00 0.00 C ATOM 56 O LYS A 5 -3.807 9.714 9.200 1.00 0.00 O ATOM 57 CB LYS A 5 -6.513 11.752 9.365 1.00 0.00 C ATOM 58 CG LYS A 5 -6.970 12.832 10.350 1.00 0.00 C ATOM 59 CD LYS A 5 -8.480 13.028 10.186 1.00 0.00 C ATOM 60 CE LYS A 5 -9.101 13.926 11.261 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.165 13.257 12.575 1.00 0.00 N ATOM 0 H LYS A 5 -5.360 13.507 8.122 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.556 11.857 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.989 11.913 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.835 10.773 9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.735 12.537 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.443 13.767 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.678 13.460 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.969 12.054 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.517 14.842 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.105 14.217 10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.623 13.888 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.715 12.379 12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.202 13.033 12.898 1.00 0.00 H new ATOM 75 N GLY A 6 -4.774 10.290 7.257 1.00 0.00 N ATOM 76 CA GLY A 6 -4.295 9.122 6.536 1.00 0.00 C ATOM 77 C GLY A 6 -2.799 8.935 6.756 1.00 0.00 C ATOM 78 O GLY A 6 -2.381 7.862 7.178 1.00 0.00 O ATOM 0 H GLY A 6 -5.330 10.932 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.832 8.235 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.501 9.235 5.472 1.00 0.00 H new ATOM 82 N LYS A 7 -1.991 9.973 6.525 1.00 0.00 N ATOM 83 CA LYS A 7 -0.542 9.861 6.650 1.00 0.00 C ATOM 84 C LYS A 7 -0.072 9.602 8.078 1.00 0.00 C ATOM 85 O LYS A 7 0.888 8.865 8.309 1.00 0.00 O ATOM 86 CB LYS A 7 0.168 10.996 5.905 1.00 0.00 C ATOM 87 CG LYS A 7 1.067 11.957 6.678 1.00 0.00 C ATOM 88 CD LYS A 7 1.602 12.964 5.639 1.00 0.00 C ATOM 89 CE LYS A 7 2.815 13.794 6.087 1.00 0.00 C ATOM 90 NZ LYS A 7 4.026 13.530 5.266 1.00 0.00 N ATOM 0 H LYS A 7 -2.319 10.899 6.251 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.230 8.951 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.773 10.543 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.599 11.592 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.510 12.466 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.885 11.423 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.871 12.418 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.795 13.647 5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.566 14.854 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.034 13.574 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.442 14.433 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.721 13.002 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.763 12.970 4.430 1.00 0.00 H new ATOM 104 N LYS A 8 -0.769 10.185 9.045 1.00 0.00 N ATOM 105 CA LYS A 8 -0.413 10.055 10.442 1.00 0.00 C ATOM 106 C LYS A 8 -0.691 8.628 10.905 1.00 0.00 C ATOM 107 O LYS A 8 0.146 7.990 11.545 1.00 0.00 O ATOM 108 CB LYS A 8 -1.200 11.105 11.242 1.00 0.00 C ATOM 109 CG LYS A 8 -0.918 11.125 12.750 1.00 0.00 C ATOM 110 CD LYS A 8 0.282 11.998 13.150 1.00 0.00 C ATOM 111 CE LYS A 8 1.627 11.461 12.630 1.00 0.00 C ATOM 112 NZ LYS A 8 2.784 12.025 13.355 1.00 0.00 N ATOM 0 H LYS A 8 -1.595 10.759 8.878 1.00 0.00 H new ATOM 0 HA LYS A 8 0.650 10.238 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.977 12.091 10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.265 10.930 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.806 11.485 13.270 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.741 10.105 13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.130 13.008 12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.323 12.070 14.237 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.640 10.375 12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.720 11.692 11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.664 11.630 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.791 13.059 13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.713 11.783 14.364 1.00 0.00 H new ATOM 126 N ILE A 9 -1.884 8.134 10.580 1.00 0.00 N ATOM 127 CA ILE A 9 -2.346 6.830 11.003 1.00 0.00 C ATOM 128 C ILE A 9 -1.550 5.778 10.232 1.00 0.00 C ATOM 129 O ILE A 9 -1.121 4.778 10.802 1.00 0.00 O ATOM 130 CB ILE A 9 -3.868 6.761 10.785 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.661 7.334 11.980 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.332 5.320 10.614 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.779 8.857 11.986 1.00 0.00 C ATOM 0 H ILE A 9 -2.559 8.641 10.008 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.178 6.640 12.063 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.059 7.352 9.889 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.663 6.904 11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.181 7.015 12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.411 5.301 10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.836 4.878 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.082 4.749 11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.350 9.174 12.858 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.783 9.299 12.024 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.288 9.186 11.080 1.00 0.00 H new ATOM 145 N PHE A 10 -1.320 6.027 8.942 1.00 0.00 N ATOM 146 CA PHE A 10 -0.410 5.259 8.115 1.00 0.00 C ATOM 147 C PHE A 10 0.902 5.047 8.848 1.00 0.00 C ATOM 148 O PHE A 10 1.219 3.924 9.216 1.00 0.00 O ATOM 149 CB PHE A 10 -0.187 5.991 6.787 1.00 0.00 C ATOM 150 CG PHE A 10 0.964 5.495 5.946 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.800 4.410 5.083 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.239 6.046 6.122 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.923 3.816 4.490 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.365 5.446 5.561 1.00 0.00 C ATOM 155 CZ PHE A 10 3.209 4.310 4.754 1.00 0.00 C ATOM 0 H PHE A 10 -1.776 6.788 8.439 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.841 4.280 7.904 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.101 5.919 6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.027 7.048 6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.189 4.029 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.352 6.950 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.797 2.973 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.348 5.852 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.075 3.818 4.337 1.00 0.00 H new ATOM 165 N VAL A 11 1.659 6.115 9.097 1.00 0.00 N ATOM 166 CA VAL A 11 2.950 5.989 9.735 1.00 0.00 C ATOM 167 C VAL A 11 2.826 5.212 11.057 1.00 0.00 C ATOM 168 O VAL A 11 3.722 4.446 11.402 1.00 0.00 O ATOM 169 CB VAL A 11 3.602 7.380 9.867 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.666 7.394 10.961 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.242 7.879 8.563 1.00 0.00 C ATOM 0 H VAL A 11 1.393 7.072 8.864 1.00 0.00 H new ATOM 0 HA VAL A 11 3.625 5.396 9.118 1.00 0.00 H new ATOM 0 HB VAL A 11 2.784 8.053 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.106 8.389 11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.209 7.134 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.444 6.669 10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.682 8.863 8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.019 7.182 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.480 7.947 7.787 1.00 0.00 H new ATOM 181 N GLN A 12 1.710 5.364 11.778 1.00 0.00 N ATOM 182 CA GLN A 12 1.471 4.617 13.003 1.00 0.00 C ATOM 183 C GLN A 12 1.560 3.092 12.811 1.00 0.00 C ATOM 184 O GLN A 12 2.033 2.417 13.724 1.00 0.00 O ATOM 185 CB GLN A 12 0.125 5.018 13.624 1.00 0.00 C ATOM 186 CG GLN A 12 0.121 4.817 15.144 1.00 0.00 C ATOM 187 CD GLN A 12 -1.284 4.878 15.739 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.259 5.179 15.056 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.408 4.564 17.025 1.00 0.00 N ATOM 0 H GLN A 12 0.957 6.004 11.526 1.00 0.00 H new ATOM 0 HA GLN A 12 2.273 4.881 13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.085 6.063 13.394 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.673 4.426 13.176 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.571 3.853 15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.743 5.582 15.610 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.583 4.317 17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.328 4.570 17.465 1.00 0.00 H new ATOM 198 N LYS A 13 1.075 2.534 11.687 1.00 0.00 N ATOM 199 CA LYS A 13 0.951 1.075 11.528 1.00 0.00 C ATOM 200 C LYS A 13 1.487 0.476 10.220 1.00 0.00 C ATOM 201 O LYS A 13 1.533 -0.746 10.093 1.00 0.00 O ATOM 202 CB LYS A 13 -0.493 0.638 11.765 1.00 0.00 C ATOM 203 CG LYS A 13 -1.443 1.219 10.717 1.00 0.00 C ATOM 204 CD LYS A 13 -2.490 2.075 11.416 1.00 0.00 C ATOM 205 CE LYS A 13 -3.508 1.215 12.176 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.443 2.054 12.941 1.00 0.00 N ATOM 0 H LYS A 13 0.763 3.071 10.877 1.00 0.00 H new ATOM 0 HA LYS A 13 1.615 0.668 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.551 -0.450 11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.810 0.955 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.887 1.818 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.925 0.416 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.999 2.757 12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.009 2.689 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.063 0.595 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.985 0.539 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.784 1.527 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.957 2.918 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.251 2.312 12.339 1.00 0.00 H new ATOM 220 N CYS A 14 1.855 1.304 9.247 1.00 0.00 N ATOM 221 CA CYS A 14 2.239 0.883 7.905 1.00 0.00 C ATOM 222 C CYS A 14 3.748 1.080 7.754 1.00 0.00 C ATOM 223 O CYS A 14 4.438 0.201 7.253 1.00 0.00 O ATOM 224 CB CYS A 14 1.523 1.683 6.842 1.00 0.00 C ATOM 225 SG CYS A 14 -0.299 1.797 6.908 1.00 0.00 S ATOM 0 H CYS A 14 1.895 2.315 9.375 1.00 0.00 H new ATOM 0 HA CYS A 14 1.963 -0.163 7.774 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.919 2.698 6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.793 1.262 5.874 1.00 0.00 H new ATOM 230 N ALA A 15 4.270 2.232 8.200 1.00 0.00 N ATOM 231 CA ALA A 15 5.681 2.617 8.092 1.00 0.00 C ATOM 232 C ALA A 15 6.657 1.588 8.645 1.00 0.00 C ATOM 233 O ALA A 15 7.775 1.494 8.150 1.00 0.00 O ATOM 234 CB ALA A 15 5.914 3.947 8.780 1.00 0.00 C ATOM 0 H ALA A 15 3.702 2.943 8.660 1.00 0.00 H new ATOM 0 HA ALA A 15 5.882 2.690 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.965 4.222 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.298 4.713 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.647 3.863 9.833 1.00 0.00 H new ATOM 240 N GLN A 16 6.247 0.824 9.659 1.00 0.00 N ATOM 241 CA GLN A 16 7.023 -0.302 10.171 1.00 0.00 C ATOM 242 C GLN A 16 7.557 -1.171 9.020 1.00 0.00 C ATOM 243 O GLN A 16 8.663 -1.700 9.106 1.00 0.00 O ATOM 244 CB GLN A 16 6.157 -1.113 11.156 1.00 0.00 C ATOM 245 CG GLN A 16 6.828 -1.269 12.528 1.00 0.00 C ATOM 246 CD GLN A 16 7.949 -2.303 12.516 1.00 0.00 C ATOM 247 OE1 GLN A 16 9.128 -1.962 12.530 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.588 -3.583 12.518 1.00 0.00 N ATOM 0 H GLN A 16 5.364 0.971 10.148 1.00 0.00 H new ATOM 0 HA GLN A 16 7.894 0.072 10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.193 -0.620 11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.960 -2.099 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.230 -0.306 12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.079 -1.559 13.264 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.599 -3.834 12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.300 -4.314 12.531 1.00 0.00 H new ATOM 257 N CYS A 17 6.760 -1.293 7.954 1.00 0.00 N ATOM 258 CA CYS A 17 7.067 -2.006 6.730 1.00 0.00 C ATOM 259 C CYS A 17 7.351 -1.038 5.561 1.00 0.00 C ATOM 260 O CYS A 17 8.166 -1.351 4.696 1.00 0.00 O ATOM 261 CB CYS A 17 5.920 -2.939 6.426 1.00 0.00 C ATOM 262 SG CYS A 17 5.626 -4.127 7.783 1.00 0.00 S ATOM 0 H CYS A 17 5.833 -0.869 7.930 1.00 0.00 H new ATOM 0 HA CYS A 17 7.980 -2.586 6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.015 -2.357 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.130 -3.484 5.506 1.00 0.00 H new ATOM 267 N HIS A 18 6.702 0.138 5.507 1.00 0.00 N ATOM 268 CA HIS A 18 6.698 1.022 4.337 1.00 0.00 C ATOM 269 C HIS A 18 7.188 2.422 4.682 1.00 0.00 C ATOM 270 O HIS A 18 6.382 3.331 4.872 1.00 0.00 O ATOM 271 CB HIS A 18 5.274 1.148 3.802 1.00 0.00 C ATOM 272 CG HIS A 18 4.763 -0.113 3.195 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.096 -0.586 1.950 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.706 -0.835 3.669 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.251 -1.591 1.682 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.398 -1.796 2.698 1.00 0.00 N ATOM 0 H HIS A 18 6.158 0.503 6.289 1.00 0.00 H new ATOM 0 HA HIS A 18 7.367 0.583 3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.612 1.447 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.242 1.942 3.056 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.842 -0.240 1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.203 -0.692 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.256 -2.163 0.766 1.00 0.00 H new ATOM 284 N THR A 19 8.495 2.647 4.716 1.00 0.00 N ATOM 285 CA THR A 19 9.023 3.936 5.137 1.00 0.00 C ATOM 286 C THR A 19 8.990 4.997 4.013 1.00 0.00 C ATOM 287 O THR A 19 9.991 5.657 3.724 1.00 0.00 O ATOM 288 CB THR A 19 10.399 3.715 5.778 1.00 0.00 C ATOM 289 OG1 THR A 19 11.257 2.945 4.948 1.00 0.00 O ATOM 290 CG2 THR A 19 10.289 2.989 7.121 1.00 0.00 C ATOM 0 H THR A 19 9.203 1.959 4.459 1.00 0.00 H new ATOM 0 HA THR A 19 8.373 4.372 5.896 1.00 0.00 H new ATOM 0 HB THR A 19 10.816 4.712 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.123 2.829 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.285 2.851 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.683 3.582 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.821 2.016 6.971 1.00 0.00 H new ATOM 298 N VAL A 20 7.815 5.210 3.403 1.00 0.00 N ATOM 299 CA VAL A 20 7.566 6.263 2.441 1.00 0.00 C ATOM 300 C VAL A 20 7.374 7.592 3.173 1.00 0.00 C ATOM 301 O VAL A 20 6.260 7.989 3.500 1.00 0.00 O ATOM 302 CB VAL A 20 6.399 5.879 1.509 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.117 5.451 2.233 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.095 7.014 0.531 1.00 0.00 C ATOM 0 H VAL A 20 6.995 4.630 3.579 1.00 0.00 H new ATOM 0 HA VAL A 20 8.428 6.393 1.787 1.00 0.00 H new ATOM 0 HB VAL A 20 6.743 4.997 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.351 5.200 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.324 4.580 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.763 6.269 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.269 6.724 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.822 7.910 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.978 7.218 -0.075 1.00 0.00 H new ATOM 314 N GLU A 21 8.473 8.306 3.399 1.00 0.00 N ATOM 315 CA GLU A 21 8.420 9.747 3.577 1.00 0.00 C ATOM 316 C GLU A 21 9.732 10.329 3.066 1.00 0.00 C ATOM 317 O GLU A 21 9.733 11.255 2.259 1.00 0.00 O ATOM 318 CB GLU A 21 8.099 10.123 5.034 1.00 0.00 C ATOM 319 CG GLU A 21 7.694 11.601 5.136 1.00 0.00 C ATOM 320 CD GLU A 21 7.091 11.935 6.491 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.839 11.834 7.485 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.892 12.305 6.499 1.00 0.00 O ATOM 0 H GLU A 21 9.409 7.907 3.463 1.00 0.00 H new ATOM 0 HA GLU A 21 7.604 10.180 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.292 9.493 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.969 9.935 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.568 12.229 4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.974 11.834 4.352 1.00 0.00 H new ATOM 329 N LYS A 22 10.860 9.771 3.520 1.00 0.00 N ATOM 330 CA LYS A 22 12.185 10.294 3.211 1.00 0.00 C ATOM 331 C LYS A 22 13.113 9.193 2.695 1.00 0.00 C ATOM 332 O LYS A 22 14.136 8.904 3.307 1.00 0.00 O ATOM 333 CB LYS A 22 12.747 11.006 4.448 1.00 0.00 C ATOM 334 CG LYS A 22 11.719 11.990 5.028 1.00 0.00 C ATOM 335 CD LYS A 22 12.393 13.222 5.643 1.00 0.00 C ATOM 336 CE LYS A 22 12.740 14.222 4.528 1.00 0.00 C ATOM 337 NZ LYS A 22 13.506 15.381 5.027 1.00 0.00 N ATOM 0 H LYS A 22 10.874 8.942 4.114 1.00 0.00 H new ATOM 0 HA LYS A 22 12.109 11.022 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.019 10.270 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.659 11.541 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.034 12.306 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.122 11.486 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.729 13.688 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.296 12.928 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.318 13.714 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.820 14.573 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.715 16.025 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.946 15.884 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.397 15.052 5.450 1.00 0.00 H new ATOM 351 N GLY A 23 12.764 8.606 1.545 1.00 0.00 N ATOM 352 CA GLY A 23 13.644 7.697 0.817 1.00 0.00 C ATOM 353 C GLY A 23 14.128 6.533 1.683 1.00 0.00 C ATOM 354 O GLY A 23 15.331 6.323 1.832 1.00 0.00 O ATOM 0 H GLY A 23 11.860 8.751 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.117 7.304 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.505 8.251 0.444 1.00 0.00 H new ATOM 358 N GLY A 24 13.188 5.777 2.257 1.00 0.00 N ATOM 359 CA GLY A 24 13.498 4.657 3.123 1.00 0.00 C ATOM 360 C GLY A 24 13.884 3.404 2.334 1.00 0.00 C ATOM 361 O GLY A 24 14.320 3.490 1.187 1.00 0.00 O ATOM 0 H GLY A 24 12.188 5.933 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.316 4.931 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.635 4.437 3.752 1.00 0.00 H new ATOM 365 N LYS A 25 13.747 2.235 2.967 1.00 0.00 N ATOM 366 CA LYS A 25 14.285 0.962 2.494 1.00 0.00 C ATOM 367 C LYS A 25 13.200 -0.118 2.454 1.00 0.00 C ATOM 368 O LYS A 25 12.182 -0.032 3.140 1.00 0.00 O ATOM 369 CB LYS A 25 15.451 0.530 3.399 1.00 0.00 C ATOM 370 CG LYS A 25 16.718 1.363 3.146 1.00 0.00 C ATOM 371 CD LYS A 25 17.328 1.858 4.463 1.00 0.00 C ATOM 372 CE LYS A 25 18.654 2.587 4.194 1.00 0.00 C ATOM 373 NZ LYS A 25 19.192 3.238 5.407 1.00 0.00 N ATOM 0 H LYS A 25 13.243 2.149 3.849 1.00 0.00 H new ATOM 0 HA LYS A 25 14.651 1.094 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.155 0.629 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.670 -0.524 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.450 0.762 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.475 2.215 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.631 2.529 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.498 1.015 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.386 1.876 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.503 3.338 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.086 3.716 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.506 3.936 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.362 2.520 6.140 1.00 0.00 H new ATOM 387 N HIS A 26 13.451 -1.140 1.633 1.00 0.00 N ATOM 388 CA HIS A 26 12.493 -2.167 1.245 1.00 0.00 C ATOM 389 C HIS A 26 12.376 -3.265 2.313 1.00 0.00 C ATOM 390 O HIS A 26 12.645 -4.436 2.046 1.00 0.00 O ATOM 391 CB HIS A 26 12.922 -2.767 -0.101 1.00 0.00 C ATOM 392 CG HIS A 26 13.303 -1.754 -1.153 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.588 -1.367 -1.471 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.450 -1.043 -1.954 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.503 -0.436 -2.435 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.222 -0.207 -2.763 1.00 0.00 N ATOM 0 H HIS A 26 14.367 -1.277 1.205 1.00 0.00 H new ATOM 0 HA HIS A 26 11.509 -1.709 1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.769 -3.432 0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.107 -3.380 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.372 -1.116 -1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.350 0.061 -2.885 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.880 0.449 -3.465 1.00 0.00 H new ATOM 404 N LYS A 27 12.009 -2.895 3.538 1.00 0.00 N ATOM 405 CA LYS A 27 11.957 -3.825 4.663 1.00 0.00 C ATOM 406 C LYS A 27 10.554 -4.410 4.801 1.00 0.00 C ATOM 407 O LYS A 27 9.702 -3.830 5.464 1.00 0.00 O ATOM 408 CB LYS A 27 12.431 -3.144 5.955 1.00 0.00 C ATOM 409 CG LYS A 27 12.350 -4.126 7.136 1.00 0.00 C ATOM 410 CD LYS A 27 13.052 -3.566 8.377 1.00 0.00 C ATOM 411 CE LYS A 27 12.821 -4.515 9.563 1.00 0.00 C ATOM 412 NZ LYS A 27 13.502 -4.050 10.790 1.00 0.00 N ATOM 0 H LYS A 27 11.739 -1.941 3.778 1.00 0.00 H new ATOM 0 HA LYS A 27 12.640 -4.653 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.456 -2.793 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.816 -2.268 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.305 -4.332 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.807 -5.075 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.120 -3.457 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.666 -2.573 8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.751 -4.602 9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.181 -5.511 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.319 -4.720 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.526 -3.991 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.141 -3.111 11.053 1.00 0.00 H new ATOM 426 N THR A 28 10.331 -5.588 4.215 1.00 0.00 N ATOM 427 CA THR A 28 9.067 -6.309 4.348 1.00 0.00 C ATOM 428 C THR A 28 7.931 -5.472 3.749 1.00 0.00 C ATOM 429 O THR A 28 6.802 -5.539 4.213 1.00 0.00 O ATOM 430 CB THR A 28 8.800 -6.666 5.830 1.00 0.00 C ATOM 431 OG1 THR A 28 10.009 -7.049 6.463 1.00 0.00 O ATOM 432 CG2 THR A 28 7.813 -7.831 5.994 1.00 0.00 C ATOM 0 H THR A 28 11.021 -6.067 3.636 1.00 0.00 H new ATOM 0 HA THR A 28 9.123 -7.247 3.796 1.00 0.00 H new ATOM 0 HB THR A 28 8.371 -5.772 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.831 -7.271 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.665 -8.036 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.859 -7.566 5.539 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.214 -8.719 5.505 1.00 0.00 H new ATOM 440 N GLY A 29 8.231 -4.688 2.714 1.00 0.00 N ATOM 441 CA GLY A 29 7.337 -3.667 2.201 1.00 0.00 C ATOM 442 C GLY A 29 8.183 -2.723 1.351 1.00 0.00 C ATOM 443 O GLY A 29 9.215 -2.257 1.832 1.00 0.00 O ATOM 0 H GLY A 29 9.114 -4.750 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.541 -4.114 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.858 -3.127 3.018 1.00 0.00 H new ATOM 447 N PRO A 30 7.835 -2.471 0.081 1.00 0.00 N ATOM 448 CA PRO A 30 8.525 -1.474 -0.712 1.00 0.00 C ATOM 449 C PRO A 30 8.330 -0.080 -0.116 1.00 0.00 C ATOM 450 O PRO A 30 7.289 0.223 0.469 1.00 0.00 O ATOM 451 CB PRO A 30 7.925 -1.537 -2.122 1.00 0.00 C ATOM 452 CG PRO A 30 7.165 -2.860 -2.165 1.00 0.00 C ATOM 453 CD PRO A 30 6.820 -3.144 -0.703 1.00 0.00 C ATOM 0 HA PRO A 30 9.597 -1.671 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.260 -0.693 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.703 -1.503 -2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.267 -2.783 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.775 -3.656 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.825 -2.772 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.818 -4.215 -0.503 1.00 0.00 H new ATOM 461 N ASN A 31 9.306 0.803 -0.326 1.00 0.00 N ATOM 462 CA ASN A 31 9.077 2.230 -0.165 1.00 0.00 C ATOM 463 C ASN A 31 8.127 2.681 -1.283 1.00 0.00 C ATOM 464 O ASN A 31 8.582 2.931 -2.395 1.00 0.00 O ATOM 465 CB ASN A 31 10.418 2.969 -0.216 1.00 0.00 C ATOM 466 CG ASN A 31 10.246 4.484 -0.144 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.139 5.006 -0.100 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.352 5.217 -0.124 1.00 0.00 N ATOM 0 H ASN A 31 10.255 0.553 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 31 8.620 2.456 0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.045 2.637 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.940 2.708 -1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.289 6.234 -0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.265 4.764 -0.161 1.00 0.00 H new ATOM 475 N LEU A 32 6.826 2.745 -0.972 1.00 0.00 N ATOM 476 CA LEU A 32 5.722 2.990 -1.902 1.00 0.00 C ATOM 477 C LEU A 32 6.083 3.985 -3.015 1.00 0.00 C ATOM 478 O LEU A 32 6.035 3.643 -4.192 1.00 0.00 O ATOM 479 CB LEU A 32 4.477 3.473 -1.128 1.00 0.00 C ATOM 480 CG LEU A 32 4.026 2.577 0.037 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.717 3.064 0.660 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.789 1.154 -0.438 1.00 0.00 C ATOM 0 H LEU A 32 6.501 2.620 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 32 5.504 2.042 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.679 4.470 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.649 3.567 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 32 4.827 2.617 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.435 2.402 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.850 4.076 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.931 3.061 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.471 0.538 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.014 1.151 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.712 0.751 -0.854 1.00 0.00 H new ATOM 494 N HIS A 33 6.421 5.220 -2.622 1.00 0.00 N ATOM 495 CA HIS A 33 6.885 6.325 -3.461 1.00 0.00 C ATOM 496 C HIS A 33 6.388 6.291 -4.920 1.00 0.00 C ATOM 497 O HIS A 33 7.180 6.322 -5.866 1.00 0.00 O ATOM 498 CB HIS A 33 8.415 6.418 -3.350 1.00 0.00 C ATOM 499 CG HIS A 33 8.987 7.717 -3.861 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.854 8.953 -3.268 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.744 7.879 -4.991 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.519 9.840 -4.029 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.077 9.232 -5.091 1.00 0.00 N ATOM 0 H HIS A 33 6.373 5.489 -1.639 1.00 0.00 H new ATOM 0 HA HIS A 33 6.431 7.239 -3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.702 6.292 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.861 5.593 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.032 7.100 -5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.595 10.896 -3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.633 9.672 -5.824 1.00 0.00 H new ATOM 511 N GLY A 34 5.063 6.285 -5.103 1.00 0.00 N ATOM 512 CA GLY A 34 4.434 6.306 -6.416 1.00 0.00 C ATOM 513 C GLY A 34 3.611 5.049 -6.659 1.00 0.00 C ATOM 514 O GLY A 34 4.172 3.982 -6.883 1.00 0.00 O ATOM 0 H GLY A 34 4.396 6.265 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.793 7.184 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.200 6.396 -7.186 1.00 0.00 H new ATOM 518 N LEU A 35 2.285 5.182 -6.646 1.00 0.00 N ATOM 519 CA LEU A 35 1.364 4.055 -6.763 1.00 0.00 C ATOM 520 C LEU A 35 0.395 4.297 -7.914 1.00 0.00 C ATOM 521 O LEU A 35 0.337 3.525 -8.867 1.00 0.00 O ATOM 522 CB LEU A 35 0.602 3.895 -5.444 1.00 0.00 C ATOM 523 CG LEU A 35 1.517 3.601 -4.249 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.653 3.605 -2.990 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.219 2.246 -4.369 1.00 0.00 C ATOM 0 H LEU A 35 1.817 6.084 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 35 1.920 3.141 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.037 4.806 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.122 3.087 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 35 2.294 4.364 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.277 3.398 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.182 4.581 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.117 2.838 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.854 2.087 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.473 1.453 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.830 2.232 -5.271 1.00 0.00 H new ATOM 537 N PHE A 36 -0.354 5.395 -7.821 1.00 0.00 N ATOM 538 CA PHE A 36 -1.458 5.717 -8.708 1.00 0.00 C ATOM 539 C PHE A 36 -0.920 5.922 -10.118 1.00 0.00 C ATOM 540 O PHE A 36 -0.298 6.946 -10.396 1.00 0.00 O ATOM 541 CB PHE A 36 -2.213 6.939 -8.163 1.00 0.00 C ATOM 542 CG PHE A 36 -2.877 6.684 -6.816 1.00 0.00 C ATOM 543 CD1 PHE A 36 -2.114 6.693 -5.634 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.217 6.256 -6.761 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.653 6.222 -4.428 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.753 5.791 -5.548 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.984 5.795 -4.379 1.00 0.00 C ATOM 0 H PHE A 36 -0.200 6.103 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.177 4.899 -8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.518 7.773 -8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.973 7.239 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.101 7.067 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.831 6.285 -7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.041 6.189 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.769 5.427 -5.518 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.416 5.470 -3.444 1.00 0.00 H new ATOM 557 N GLY A 37 -1.131 4.933 -10.993 1.00 0.00 N ATOM 558 CA GLY A 37 -0.624 4.978 -12.364 1.00 0.00 C ATOM 559 C GLY A 37 0.654 4.153 -12.572 1.00 0.00 C ATOM 560 O GLY A 37 1.069 3.954 -13.714 1.00 0.00 O ATOM 0 H GLY A 37 -1.654 4.086 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.397 4.613 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.426 6.015 -12.636 1.00 0.00 H new ATOM 564 N ARG A 38 1.282 3.665 -11.496 1.00 0.00 N ATOM 565 CA ARG A 38 2.549 2.950 -11.533 1.00 0.00 C ATOM 566 C ARG A 38 2.273 1.442 -11.501 1.00 0.00 C ATOM 567 O ARG A 38 1.649 0.938 -10.569 1.00 0.00 O ATOM 568 CB ARG A 38 3.435 3.446 -10.373 1.00 0.00 C ATOM 569 CG ARG A 38 4.935 3.317 -10.694 1.00 0.00 C ATOM 570 CD ARG A 38 5.806 4.284 -9.875 1.00 0.00 C ATOM 571 NE ARG A 38 5.508 5.691 -10.203 1.00 0.00 N ATOM 572 CZ ARG A 38 6.119 6.769 -9.679 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.088 6.621 -8.769 1.00 0.00 N ATOM 574 NH2 ARG A 38 5.737 7.995 -10.057 1.00 0.00 N ATOM 0 H ARG A 38 0.907 3.763 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 38 3.098 3.146 -12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.199 4.488 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.207 2.875 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.256 2.294 -10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.092 3.505 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.639 4.114 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.859 4.079 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 38 4.773 5.862 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.367 5.687 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.548 7.442 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.987 8.108 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.196 8.816 -9.663 1.00 0.00 H new ATOM 588 N LYS A 39 2.681 0.728 -12.554 1.00 0.00 N ATOM 589 CA LYS A 39 2.368 -0.685 -12.723 1.00 0.00 C ATOM 590 C LYS A 39 3.177 -1.558 -11.758 1.00 0.00 C ATOM 591 O LYS A 39 4.396 -1.421 -11.684 1.00 0.00 O ATOM 592 CB LYS A 39 2.554 -1.104 -14.187 1.00 0.00 C ATOM 593 CG LYS A 39 1.539 -0.391 -15.098 1.00 0.00 C ATOM 594 CD LYS A 39 2.223 0.537 -16.111 1.00 0.00 C ATOM 595 CE LYS A 39 1.163 1.321 -16.899 1.00 0.00 C ATOM 596 NZ LYS A 39 1.763 2.190 -17.933 1.00 0.00 N ATOM 0 H LYS A 39 3.239 1.119 -13.313 1.00 0.00 H new ATOM 0 HA LYS A 39 1.319 -0.839 -12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.568 -0.867 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.434 -2.184 -14.278 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.946 -1.135 -15.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.848 0.188 -14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.889 1.228 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.839 -0.047 -16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.473 0.622 -17.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.578 1.930 -16.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.010 2.699 -18.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.402 2.876 -17.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.300 1.608 -18.607 1.00 0.00 H new ATOM 610 N THR A 40 2.499 -2.441 -11.015 1.00 0.00 N ATOM 611 CA THR A 40 3.142 -3.384 -10.108 1.00 0.00 C ATOM 612 C THR A 40 3.456 -4.696 -10.828 1.00 0.00 C ATOM 613 O THR A 40 3.553 -4.748 -12.053 1.00 0.00 O ATOM 614 CB THR A 40 2.259 -3.573 -8.872 1.00 0.00 C ATOM 615 OG1 THR A 40 2.948 -4.184 -7.797 1.00 0.00 O ATOM 616 CG2 THR A 40 0.979 -4.371 -9.116 1.00 0.00 C ATOM 0 H THR A 40 1.482 -2.517 -11.030 1.00 0.00 H new ATOM 0 HA THR A 40 4.101 -2.989 -9.771 1.00 0.00 H new ATOM 0 HB THR A 40 1.981 -2.551 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.484 -5.007 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.418 -4.453 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.370 -3.862 -9.863 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.235 -5.368 -9.475 1.00 0.00 H new ATOM 624 N GLY A 41 3.594 -5.767 -10.050 1.00 0.00 N ATOM 625 CA GLY A 41 3.886 -7.095 -10.553 1.00 0.00 C ATOM 626 C GLY A 41 5.350 -7.202 -10.997 1.00 0.00 C ATOM 627 O GLY A 41 5.699 -8.060 -11.804 1.00 0.00 O ATOM 0 H GLY A 41 3.503 -5.729 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.682 -7.835 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.229 -7.323 -11.393 1.00 0.00 H new ATOM 631 N GLN A 42 6.217 -6.335 -10.457 1.00 0.00 N ATOM 632 CA GLN A 42 7.639 -6.279 -10.777 1.00 0.00 C ATOM 633 C GLN A 42 8.440 -5.847 -9.552 1.00 0.00 C ATOM 634 O GLN A 42 8.859 -6.705 -8.782 1.00 0.00 O ATOM 635 CB GLN A 42 7.914 -5.372 -11.990 1.00 0.00 C ATOM 636 CG GLN A 42 7.471 -5.992 -13.322 1.00 0.00 C ATOM 637 CD GLN A 42 7.967 -5.174 -14.511 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.182 -4.594 -15.252 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.283 -5.113 -14.706 1.00 0.00 N ATOM 0 H GLN A 42 5.936 -5.637 -9.768 1.00 0.00 H new ATOM 0 HA GLN A 42 7.965 -7.280 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.398 -4.422 -11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.980 -5.152 -12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.852 -7.011 -13.395 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.383 -6.056 -13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.915 -5.605 -14.075 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.658 -4.574 -15.487 1.00 0.00 H new ATOM 648 N ALA A 43 8.670 -4.539 -9.377 1.00 0.00 N ATOM 649 CA ALA A 43 9.611 -3.985 -8.407 1.00 0.00 C ATOM 650 C ALA A 43 10.992 -4.651 -8.513 1.00 0.00 C ATOM 651 O ALA A 43 11.320 -5.512 -7.694 1.00 0.00 O ATOM 652 CB ALA A 43 9.027 -4.115 -7.010 1.00 0.00 C ATOM 0 H ALA A 43 8.192 -3.822 -9.923 1.00 0.00 H new ATOM 0 HA ALA A 43 9.764 -2.928 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.727 -3.702 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.085 -3.569 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.850 -5.167 -6.786 1.00 0.00 H new ATOM 658 N PRO A 44 11.806 -4.269 -9.513 1.00 0.00 N ATOM 659 CA PRO A 44 13.071 -4.924 -9.818 1.00 0.00 C ATOM 660 C PRO A 44 14.127 -4.635 -8.743 1.00 0.00 C ATOM 661 O PRO A 44 15.042 -3.842 -8.948 1.00 0.00 O ATOM 662 CB PRO A 44 13.467 -4.404 -11.207 1.00 0.00 C ATOM 663 CG PRO A 44 12.842 -3.011 -11.247 1.00 0.00 C ATOM 664 CD PRO A 44 11.540 -3.204 -10.471 1.00 0.00 C ATOM 0 HA PRO A 44 12.984 -6.011 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.549 -4.364 -11.329 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.080 -5.042 -12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.485 -2.265 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.659 -2.679 -12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.247 -2.285 -9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.722 -3.474 -11.139 1.00 0.00 H new ATOM 672 N GLY A 45 14.006 -5.307 -7.598 1.00 0.00 N ATOM 673 CA GLY A 45 14.985 -5.265 -6.527 1.00 0.00 C ATOM 674 C GLY A 45 14.551 -6.205 -5.407 1.00 0.00 C ATOM 675 O GLY A 45 15.122 -7.277 -5.235 1.00 0.00 O ATOM 0 H GLY A 45 13.207 -5.906 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.965 -5.558 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.081 -4.248 -6.147 1.00 0.00 H new ATOM 679 N PHE A 46 13.522 -5.801 -4.659 1.00 0.00 N ATOM 680 CA PHE A 46 12.975 -6.587 -3.556 1.00 0.00 C ATOM 681 C PHE A 46 11.979 -7.620 -4.099 1.00 0.00 C ATOM 682 O PHE A 46 12.070 -8.798 -3.763 1.00 0.00 O ATOM 683 CB PHE A 46 12.401 -5.637 -2.486 1.00 0.00 C ATOM 684 CG PHE A 46 11.160 -6.102 -1.745 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.233 -7.115 -0.768 1.00 0.00 C ATOM 686 CD2 PHE A 46 9.913 -5.540 -2.072 1.00 0.00 C ATOM 687 CE1 PHE A 46 10.058 -7.567 -0.137 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.742 -6.019 -1.462 1.00 0.00 C ATOM 689 CZ PHE A 46 8.814 -7.021 -0.486 1.00 0.00 C ATOM 0 H PHE A 46 13.043 -4.912 -4.804 1.00 0.00 H new ATOM 0 HA PHE A 46 13.753 -7.165 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.182 -5.444 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.172 -4.685 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.188 -7.544 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.856 -4.738 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.115 -8.337 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.782 -5.613 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.914 -7.372 -0.003 1.00 0.00 H new ATOM 699 N THR A 47 11.062 -7.172 -4.965 1.00 0.00 N ATOM 700 CA THR A 47 9.911 -7.925 -5.454 1.00 0.00 C ATOM 701 C THR A 47 9.173 -8.718 -4.364 1.00 0.00 C ATOM 702 O THR A 47 9.325 -8.461 -3.175 1.00 0.00 O ATOM 703 CB THR A 47 10.217 -8.697 -6.747 1.00 0.00 C ATOM 704 OG1 THR A 47 9.001 -9.016 -7.401 1.00 0.00 O ATOM 705 CG2 THR A 47 11.029 -9.968 -6.521 1.00 0.00 C ATOM 0 H THR A 47 11.108 -6.232 -5.359 1.00 0.00 H new ATOM 0 HA THR A 47 9.166 -7.187 -5.752 1.00 0.00 H new ATOM 0 HB THR A 47 10.833 -8.045 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.749 -8.282 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.207 -10.461 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.984 -9.713 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.477 -10.640 -5.864 1.00 0.00 H new ATOM 713 N TYR A 48 8.275 -9.616 -4.767 1.00 0.00 N ATOM 714 CA TYR A 48 7.267 -10.168 -3.871 1.00 0.00 C ATOM 715 C TYR A 48 6.793 -11.531 -4.351 1.00 0.00 C ATOM 716 O TYR A 48 7.179 -12.006 -5.417 1.00 0.00 O ATOM 717 CB TYR A 48 6.090 -9.190 -3.705 1.00 0.00 C ATOM 718 CG TYR A 48 5.957 -8.152 -4.799 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.643 -6.940 -4.657 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.165 -8.374 -5.935 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.546 -5.947 -5.641 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.027 -7.360 -6.898 1.00 0.00 C ATOM 723 CZ TYR A 48 5.742 -6.161 -6.770 1.00 0.00 C ATOM 724 OH TYR A 48 5.833 -5.314 -7.837 1.00 0.00 O ATOM 0 H TYR A 48 8.228 -9.978 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 48 7.725 -10.308 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.165 -9.764 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.197 -8.676 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.252 -6.769 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.663 -9.321 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.089 -5.020 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.367 -7.505 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 48 4.979 -4.848 -7.959 1.00 0.00 H new ATOM 734 N THR A 49 5.945 -12.143 -3.524 1.00 0.00 N ATOM 735 CA THR A 49 5.327 -13.431 -3.779 1.00 0.00 C ATOM 736 C THR A 49 4.580 -13.412 -5.104 1.00 0.00 C ATOM 737 O THR A 49 3.885 -12.438 -5.384 1.00 0.00 O ATOM 738 CB THR A 49 4.289 -13.711 -2.693 1.00 0.00 C ATOM 739 OG1 THR A 49 3.578 -12.511 -2.422 1.00 0.00 O ATOM 740 CG2 THR A 49 4.929 -14.212 -1.401 1.00 0.00 C ATOM 0 H THR A 49 5.665 -11.737 -2.631 1.00 0.00 H new ATOM 0 HA THR A 49 6.112 -14.187 -3.795 1.00 0.00 H new ATOM 0 HB THR A 49 3.621 -14.492 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.423 -12.026 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.153 -14.397 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.471 -15.137 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.621 -13.460 -1.022 1.00 0.00 H new ATOM 748 N ASP A 50 4.632 -14.526 -5.827 1.00 0.00 N ATOM 749 CA ASP A 50 3.986 -14.798 -7.106 1.00 0.00 C ATOM 750 C ASP A 50 2.539 -14.328 -7.121 1.00 0.00 C ATOM 751 O ASP A 50 2.111 -13.711 -8.083 1.00 0.00 O ATOM 752 CB ASP A 50 4.079 -16.302 -7.392 1.00 0.00 C ATOM 753 CG ASP A 50 5.510 -16.807 -7.268 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.997 -16.782 -6.113 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.094 -17.159 -8.314 1.00 0.00 O ATOM 0 H ASP A 50 5.173 -15.329 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 50 4.500 -14.240 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.439 -16.846 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.706 -16.506 -8.396 1.00 0.00 H new ATOM 760 N ALA A 51 1.780 -14.574 -6.054 1.00 0.00 N ATOM 761 CA ALA A 51 0.397 -14.118 -5.968 1.00 0.00 C ATOM 762 C ALA A 51 0.272 -12.611 -6.182 1.00 0.00 C ATOM 763 O ALA A 51 -0.664 -12.152 -6.836 1.00 0.00 O ATOM 764 CB ALA A 51 -0.186 -14.536 -4.615 1.00 0.00 C ATOM 0 H ALA A 51 2.103 -15.089 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.172 -14.588 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.220 -14.198 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.152 -15.622 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.398 -14.086 -3.812 1.00 0.00 H new ATOM 770 N ASN A 52 1.215 -11.839 -5.641 1.00 0.00 N ATOM 771 CA ASN A 52 1.219 -10.395 -5.798 1.00 0.00 C ATOM 772 C ASN A 52 1.974 -9.986 -7.065 1.00 0.00 C ATOM 773 O ASN A 52 1.637 -8.981 -7.684 1.00 0.00 O ATOM 774 CB ASN A 52 1.793 -9.724 -4.544 1.00 0.00 C ATOM 775 CG ASN A 52 1.130 -8.376 -4.292 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.739 -8.087 -3.163 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.906 -7.590 -5.342 1.00 0.00 N ATOM 0 H ASN A 52 1.991 -12.200 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 52 0.191 -10.051 -5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.645 -10.373 -3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.868 -9.588 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.395 -6.715 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.246 -7.862 -6.264 1.00 0.00 H new ATOM 784 N LYS A 53 2.992 -10.755 -7.459 1.00 0.00 N ATOM 785 CA LYS A 53 3.813 -10.474 -8.625 1.00 0.00 C ATOM 786 C LYS A 53 2.995 -10.674 -9.900 1.00 0.00 C ATOM 787 O LYS A 53 3.138 -9.946 -10.876 1.00 0.00 O ATOM 788 CB LYS A 53 5.080 -11.330 -8.599 1.00 0.00 C ATOM 789 CG LYS A 53 6.162 -10.664 -9.452 1.00 0.00 C ATOM 790 CD LYS A 53 7.422 -11.528 -9.464 1.00 0.00 C ATOM 791 CE LYS A 53 8.480 -10.846 -10.337 1.00 0.00 C ATOM 792 NZ LYS A 53 9.624 -11.740 -10.608 1.00 0.00 N ATOM 0 H LYS A 53 3.268 -11.603 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 53 4.133 -9.432 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.431 -11.448 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.865 -12.329 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.798 -10.522 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.393 -9.675 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.798 -11.661 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.195 -12.521 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.029 -10.536 -11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.834 -9.942 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.319 -11.244 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.070 -12.016 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.290 -12.591 -11.104 1.00 0.00 H new ATOM 806 N ASN A 54 2.107 -11.663 -9.869 1.00 0.00 N ATOM 807 CA ASN A 54 1.237 -12.040 -10.963 1.00 0.00 C ATOM 808 C ASN A 54 0.231 -10.929 -11.292 1.00 0.00 C ATOM 809 O ASN A 54 -0.328 -10.910 -12.383 1.00 0.00 O ATOM 810 CB ASN A 54 0.505 -13.336 -10.590 1.00 0.00 C ATOM 811 CG ASN A 54 -0.483 -13.771 -11.667 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.089 -14.167 -12.757 1.00 0.00 O ATOM 813 ND2 ASN A 54 -1.779 -13.724 -11.365 1.00 0.00 N ATOM 0 H ASN A 54 1.973 -12.245 -9.042 1.00 0.00 H new ATOM 0 HA ASN A 54 1.842 -12.199 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.235 -14.129 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.026 -13.193 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.473 -14.023 -12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.077 -13.389 -10.449 1.00 0.00 H new ATOM 820 N LYS A 55 -0.050 -10.030 -10.338 1.00 0.00 N ATOM 821 CA LYS A 55 -1.162 -9.092 -10.449 1.00 0.00 C ATOM 822 C LYS A 55 -1.053 -8.182 -11.676 1.00 0.00 C ATOM 823 O LYS A 55 -2.027 -8.019 -12.404 1.00 0.00 O ATOM 824 CB LYS A 55 -1.251 -8.230 -9.186 1.00 0.00 C ATOM 825 CG LYS A 55 -2.008 -8.896 -8.031 1.00 0.00 C ATOM 826 CD LYS A 55 -3.447 -8.358 -7.915 1.00 0.00 C ATOM 827 CE LYS A 55 -4.360 -8.773 -9.076 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.761 -8.366 -8.834 1.00 0.00 N ATOM 0 H LYS A 55 0.487 -9.937 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.065 -9.691 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.242 -7.985 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.742 -7.289 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.033 -9.975 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.476 -8.720 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.882 -8.710 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.415 -7.270 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.003 -8.320 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.312 -9.854 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.226 -8.164 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.267 -9.135 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.777 -7.513 -8.240 1.00 0.00 H new ATOM 842 N GLY A 56 0.094 -7.516 -11.837 1.00 0.00 N ATOM 843 CA GLY A 56 0.315 -6.550 -12.909 1.00 0.00 C ATOM 844 C GLY A 56 -0.732 -5.430 -12.949 1.00 0.00 C ATOM 845 O GLY A 56 -1.041 -4.904 -14.017 1.00 0.00 O ATOM 0 H GLY A 56 0.899 -7.635 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.304 -6.108 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.312 -7.073 -13.865 1.00 0.00 H new ATOM 849 N ILE A 57 -1.274 -5.042 -11.788 1.00 0.00 N ATOM 850 CA ILE A 57 -2.199 -3.917 -11.680 1.00 0.00 C ATOM 851 C ILE A 57 -1.433 -2.593 -11.702 1.00 0.00 C ATOM 852 O ILE A 57 -0.226 -2.583 -11.908 1.00 0.00 O ATOM 853 CB ILE A 57 -3.082 -4.048 -10.429 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.270 -4.166 -9.132 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.058 -5.216 -10.626 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.125 -4.043 -7.876 1.00 0.00 C ATOM 0 H ILE A 57 -1.081 -5.502 -10.899 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.865 -3.929 -12.543 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.654 -3.128 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.754 -5.126 -9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.503 -3.392 -9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.689 -5.316 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.683 -5.025 -11.498 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.496 -6.138 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.491 -4.135 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.621 -3.072 -7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.875 -4.834 -7.868 1.00 0.00 H new ATOM 868 N THR A 58 -2.129 -1.471 -11.499 1.00 0.00 N ATOM 869 CA THR A 58 -1.574 -0.130 -11.594 1.00 0.00 C ATOM 870 C THR A 58 -1.917 0.683 -10.330 1.00 0.00 C ATOM 871 O THR A 58 -2.244 1.865 -10.422 1.00 0.00 O ATOM 872 CB THR A 58 -2.086 0.441 -12.930 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.716 -0.422 -13.991 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.497 1.795 -13.279 1.00 0.00 C ATOM 0 H THR A 58 -3.120 -1.477 -11.258 1.00 0.00 H new ATOM 0 HA THR A 58 -0.485 -0.102 -11.615 1.00 0.00 H new ATOM 0 HB THR A 58 -3.165 0.537 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.044 -0.057 -14.839 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.903 2.134 -14.232 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.751 2.514 -12.500 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.413 1.711 -13.356 1.00 0.00 H new ATOM 882 N TRP A 59 -1.858 0.010 -9.166 1.00 0.00 N ATOM 883 CA TRP A 59 -2.101 0.508 -7.810 1.00 0.00 C ATOM 884 C TRP A 59 -2.829 1.847 -7.762 1.00 0.00 C ATOM 885 O TRP A 59 -2.250 2.880 -7.442 1.00 0.00 O ATOM 886 CB TRP A 59 -0.807 0.518 -6.991 1.00 0.00 C ATOM 887 CG TRP A 59 -0.341 -0.825 -6.533 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.898 -1.323 -6.714 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.067 -1.832 -5.763 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.952 -2.618 -6.240 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.225 -2.970 -5.607 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.347 -1.893 -5.165 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.639 -4.113 -4.906 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.772 -3.037 -4.470 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.925 -4.152 -4.346 1.00 0.00 C ATOM 0 H TRP A 59 -1.618 -0.981 -9.155 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.791 -0.196 -7.345 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.019 0.975 -7.590 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.952 1.153 -6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.723 -0.790 -7.162 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.757 -3.236 -6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.010 -1.044 -5.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.027 -4.956 -4.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.757 -3.060 -4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.262 -5.034 -3.822 1.00 0.00 H new ATOM 906 N LYS A 60 -4.123 1.789 -8.063 1.00 0.00 N ATOM 907 CA LYS A 60 -4.987 2.938 -8.273 1.00 0.00 C ATOM 908 C LYS A 60 -6.161 2.881 -7.278 1.00 0.00 C ATOM 909 O LYS A 60 -6.338 1.880 -6.580 1.00 0.00 O ATOM 910 CB LYS A 60 -5.455 2.949 -9.738 1.00 0.00 C ATOM 911 CG LYS A 60 -5.708 1.531 -10.273 1.00 0.00 C ATOM 912 CD LYS A 60 -6.841 1.491 -11.289 1.00 0.00 C ATOM 913 CE LYS A 60 -6.579 1.991 -12.707 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.878 2.128 -13.405 1.00 0.00 N ATOM 0 H LYS A 60 -4.615 0.902 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.451 3.869 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.369 3.536 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.703 3.440 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.796 1.151 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.945 0.868 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.182 0.458 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.669 2.072 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.060 2.949 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.934 1.294 -13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.929 1.439 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.653 1.950 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.966 3.091 -13.789 1.00 0.00 H new ATOM 928 N GLU A 61 -7.002 3.924 -7.237 1.00 0.00 N ATOM 929 CA GLU A 61 -8.051 4.126 -6.225 1.00 0.00 C ATOM 930 C GLU A 61 -9.268 3.193 -6.331 1.00 0.00 C ATOM 931 O GLU A 61 -10.325 3.486 -5.779 1.00 0.00 O ATOM 932 CB GLU A 61 -8.460 5.610 -6.184 1.00 0.00 C ATOM 933 CG GLU A 61 -8.968 6.179 -7.515 1.00 0.00 C ATOM 934 CD GLU A 61 -8.926 7.700 -7.471 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.482 8.250 -6.493 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.268 8.285 -8.353 1.00 0.00 O ATOM 0 H GLU A 61 -6.971 4.674 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.602 3.840 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.238 5.736 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.603 6.199 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.353 5.812 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.986 5.839 -7.702 1.00 0.00 H new ATOM 943 N GLU A 62 -9.092 2.041 -6.972 1.00 0.00 N ATOM 944 CA GLU A 62 -9.991 0.898 -6.945 1.00 0.00 C ATOM 945 C GLU A 62 -9.254 -0.265 -6.268 1.00 0.00 C ATOM 946 O GLU A 62 -9.729 -0.858 -5.301 1.00 0.00 O ATOM 947 CB GLU A 62 -10.452 0.545 -8.376 1.00 0.00 C ATOM 948 CG GLU A 62 -9.451 0.967 -9.465 1.00 0.00 C ATOM 949 CD GLU A 62 -9.735 0.337 -10.829 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.869 -0.901 -10.860 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.669 1.081 -11.839 1.00 0.00 O ATOM 0 H GLU A 62 -8.272 1.874 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.893 1.124 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.616 -0.531 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.411 1.026 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.469 2.052 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.445 0.692 -9.149 1.00 0.00 H new ATOM 958 N THR A 63 -8.054 -0.581 -6.757 1.00 0.00 N ATOM 959 CA THR A 63 -7.299 -1.729 -6.319 1.00 0.00 C ATOM 960 C THR A 63 -6.753 -1.494 -4.915 1.00 0.00 C ATOM 961 O THR A 63 -6.762 -2.413 -4.100 1.00 0.00 O ATOM 962 CB THR A 63 -6.211 -2.045 -7.353 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.398 -0.917 -7.634 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.850 -2.494 -8.671 1.00 0.00 C ATOM 0 H THR A 63 -7.584 -0.033 -7.477 1.00 0.00 H new ATOM 0 HA THR A 63 -7.941 -2.607 -6.252 1.00 0.00 H new ATOM 0 HB THR A 63 -5.594 -2.835 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.717 -1.161 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.068 -2.716 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.449 -3.388 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.488 -1.698 -9.056 1.00 0.00 H new ATOM 972 N LEU A 64 -6.317 -0.268 -4.606 1.00 0.00 N ATOM 973 CA LEU A 64 -5.916 0.068 -3.249 1.00 0.00 C ATOM 974 C LEU A 64 -7.067 -0.119 -2.260 1.00 0.00 C ATOM 975 O LEU A 64 -6.860 -0.711 -1.211 1.00 0.00 O ATOM 976 CB LEU A 64 -5.366 1.497 -3.172 1.00 0.00 C ATOM 977 CG LEU A 64 -3.831 1.547 -3.215 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.365 1.966 -4.603 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.291 2.518 -2.165 1.00 0.00 C ATOM 0 H LEU A 64 -6.236 0.497 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.119 -0.621 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.767 2.081 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.715 1.967 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.446 0.552 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.276 1.999 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.722 1.246 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.763 2.953 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.202 2.538 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.681 3.517 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.604 2.192 -1.173 1.00 0.00 H new ATOM 991 N MET A 65 -8.267 0.378 -2.569 1.00 0.00 N ATOM 992 CA MET A 65 -9.440 0.240 -1.724 1.00 0.00 C ATOM 993 C MET A 65 -9.639 -1.234 -1.382 1.00 0.00 C ATOM 994 O MET A 65 -9.728 -1.604 -0.210 1.00 0.00 O ATOM 995 CB MET A 65 -10.666 0.796 -2.466 1.00 0.00 C ATOM 996 CG MET A 65 -10.518 2.277 -2.848 1.00 0.00 C ATOM 997 SD MET A 65 -10.420 3.451 -1.475 1.00 0.00 S ATOM 998 CE MET A 65 -12.104 3.306 -0.871 1.00 0.00 C ATOM 0 H MET A 65 -8.447 0.895 -3.430 1.00 0.00 H new ATOM 0 HA MET A 65 -9.308 0.801 -0.799 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.834 0.209 -3.369 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.549 0.675 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.620 2.386 -3.456 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.364 2.555 -3.476 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.261 4.015 -0.059 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.801 3.521 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.274 2.293 -0.506 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.694 -2.066 -2.425 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.967 -3.482 -2.265 1.00 0.00 C ATOM 1010 C GLU A 66 -8.883 -4.144 -1.407 1.00 0.00 C ATOM 1011 O GLU A 66 -9.172 -4.817 -0.421 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.097 -4.130 -3.656 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.250 -5.141 -3.716 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.602 -4.463 -3.929 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.892 -3.499 -3.189 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -13.317 -4.923 -4.846 1.00 0.00 O ATOM 0 H GLU A 66 -9.551 -1.774 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.910 -3.625 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.257 -3.353 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.163 -4.630 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.069 -5.848 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.276 -5.716 -2.790 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.617 -3.940 -1.771 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.472 -4.560 -1.111 1.00 0.00 C ATOM 1025 C TYR A 67 -6.414 -4.157 0.355 1.00 0.00 C ATOM 1026 O TYR A 67 -6.297 -5.003 1.231 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.216 -4.083 -1.841 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.901 -4.684 -1.385 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.730 -6.079 -1.370 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.798 -3.850 -1.124 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.483 -6.639 -1.055 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.549 -4.412 -0.821 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.390 -5.806 -0.779 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.193 -6.356 -0.447 1.00 0.00 O ATOM 0 H TYR A 67 -7.356 -3.329 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.554 -5.646 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.338 -4.294 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.151 -3.000 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.564 -6.724 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.913 -2.777 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.365 -7.712 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.705 -3.769 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 67 0.212 -5.842 0.282 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.479 -2.862 0.631 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.403 -2.368 1.994 1.00 0.00 C ATOM 1046 C LEU A 68 -7.608 -2.804 2.824 1.00 0.00 C ATOM 1047 O LEU A 68 -7.440 -3.048 4.017 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.187 -0.849 2.041 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.717 -0.396 1.957 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.827 -1.153 2.950 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.133 -0.510 0.547 1.00 0.00 C ATOM 0 H LEU A 68 -6.585 -2.134 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.525 -2.824 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.739 -0.393 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.617 -0.465 2.966 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.727 0.660 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.799 -0.803 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.181 -0.974 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.867 -2.221 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.095 -0.176 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.178 -1.548 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.710 0.113 -0.137 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.802 -2.934 2.232 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.900 -3.544 2.976 1.00 0.00 C ATOM 1065 C GLU A 69 -9.523 -4.984 3.345 1.00 0.00 C ATOM 1066 O GLU A 69 -9.624 -5.393 4.501 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.228 -3.491 2.198 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.389 -3.759 3.171 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.763 -3.858 2.518 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.884 -3.567 1.306 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.730 -4.064 3.278 1.00 0.00 O ATOM 0 H GLU A 69 -9.024 -2.638 1.281 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.060 -2.970 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.349 -2.516 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.227 -4.233 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.189 -4.688 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.412 -2.962 3.914 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.096 -5.752 2.340 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.845 -7.178 2.431 1.00 0.00 C ATOM 1080 C ASN A 70 -7.621 -7.591 1.617 1.00 0.00 C ATOM 1081 O ASN A 70 -7.771 -7.978 0.463 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.081 -7.954 1.957 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.844 -7.413 0.743 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.985 -6.989 0.874 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.265 -7.465 -0.447 1.00 0.00 N ATOM 0 H ASN A 70 -8.911 -5.377 1.410 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.641 -7.416 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.769 -8.973 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.779 -8.013 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.771 -7.149 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.313 -7.821 -0.536 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.406 -7.602 2.178 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.230 -7.877 1.371 1.00 0.00 C ATOM 1094 C PRO A 71 -5.158 -9.357 1.001 1.00 0.00 C ATOM 1095 O PRO A 71 -5.041 -9.705 -0.172 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.035 -7.375 2.179 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.540 -7.347 3.622 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.050 -7.134 3.506 1.00 0.00 C ATOM 0 HA PRO A 71 -5.253 -7.363 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.176 -8.037 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.719 -6.385 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.311 -8.279 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.070 -6.544 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.585 -7.691 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.309 -6.083 3.635 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.289 -10.235 1.998 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.258 -11.677 1.809 1.00 0.00 C ATOM 1108 C LYS A 72 -6.538 -12.236 1.167 1.00 0.00 C ATOM 1109 O LYS A 72 -6.651 -13.452 1.016 1.00 0.00 O ATOM 1110 CB LYS A 72 -4.983 -12.351 3.158 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.581 -12.022 3.696 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.015 -13.237 4.445 1.00 0.00 C ATOM 1113 CE LYS A 72 -1.584 -12.961 4.930 1.00 0.00 C ATOM 1114 NZ LYS A 72 -0.926 -14.183 5.437 1.00 0.00 N ATOM 0 H LYS A 72 -5.421 -9.955 2.970 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.456 -11.900 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.732 -12.031 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.085 -13.431 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.920 -11.750 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.630 -11.162 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.653 -13.474 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.020 -14.108 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.997 -12.547 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.607 -12.208 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.037 -13.953 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.471 -14.565 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.880 -14.893 4.678 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.512 -11.385 0.818 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.667 -11.786 0.022 1.00 0.00 C ATOM 1130 C LYS A 73 -8.463 -11.268 -1.400 1.00 0.00 C ATOM 1131 O LYS A 73 -8.546 -12.048 -2.345 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.970 -11.272 0.651 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.168 -12.220 0.484 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.442 -13.035 1.758 1.00 0.00 C ATOM 1135 CE LYS A 73 -10.298 -14.001 2.099 1.00 0.00 C ATOM 1136 NZ LYS A 73 -10.572 -14.764 3.336 1.00 0.00 N ATOM 0 H LYS A 73 -7.516 -10.400 1.082 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.755 -12.872 -0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.803 -11.099 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.219 -10.308 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.055 -11.641 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.979 -12.900 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.598 -12.353 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.365 -13.601 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.148 -14.694 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.371 -13.439 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.777 -15.405 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.690 -14.105 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.443 -15.320 3.215 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.165 -9.968 -1.552 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.831 -9.393 -2.851 1.00 0.00 C ATOM 1152 C TYR A 74 -6.771 -10.218 -3.590 1.00 0.00 C ATOM 1153 O TYR A 74 -6.885 -10.433 -4.797 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.342 -7.952 -2.677 1.00 0.00 C ATOM 1155 CG TYR A 74 -7.128 -7.218 -3.987 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -8.222 -6.995 -4.840 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.835 -6.858 -4.408 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -8.022 -6.453 -6.120 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.629 -6.355 -5.703 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.723 -6.155 -6.559 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.503 -5.923 -7.887 1.00 0.00 O ATOM 0 H TYR A 74 -8.150 -9.298 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.738 -9.403 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.067 -7.402 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.406 -7.960 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.220 -7.241 -4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.999 -6.969 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.867 -6.266 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.630 -6.122 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.309 -5.537 -8.289 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.727 -10.645 -2.871 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.656 -11.484 -3.402 1.00 0.00 C ATOM 1173 C ILE A 75 -4.571 -12.772 -2.575 1.00 0.00 C ATOM 1174 O ILE A 75 -4.490 -12.697 -1.347 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.333 -10.694 -3.406 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.425 -9.640 -4.518 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.124 -11.599 -3.688 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.400 -8.518 -4.370 1.00 0.00 C ATOM 0 H ILE A 75 -5.604 -10.411 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.863 -11.767 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.190 -10.244 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.285 -10.126 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.427 -9.210 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.213 -11.001 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.058 -12.369 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.242 -12.070 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.519 -7.807 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.554 -8.007 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.394 -8.938 -4.397 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.568 -13.957 -3.213 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.514 -15.231 -2.516 1.00 0.00 C ATOM 1192 C PRO A 76 -3.120 -15.452 -1.921 1.00 0.00 C ATOM 1193 O PRO A 76 -2.296 -16.169 -2.483 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.888 -16.285 -3.565 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.395 -15.664 -4.870 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.663 -14.175 -4.652 1.00 0.00 C ATOM 0 HA PRO A 76 -5.200 -15.280 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.405 -17.241 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.962 -16.469 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.337 -15.865 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.936 -16.051 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.936 -13.565 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.649 -13.897 -5.025 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.861 -14.834 -0.768 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.632 -15.040 -0.019 1.00 0.00 C ATOM 1206 C GLY A 77 -0.507 -14.160 -0.552 1.00 0.00 C ATOM 1207 O GLY A 77 0.540 -14.652 -0.966 1.00 0.00 O ATOM 0 H GLY A 77 -3.504 -14.175 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.803 -14.817 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.337 -16.088 -0.080 1.00 0.00 H new ATOM 1211 N THR A 78 -0.711 -12.841 -0.499 1.00 0.00 N ATOM 1212 CA THR A 78 0.376 -11.894 -0.676 1.00 0.00 C ATOM 1213 C THR A 78 1.416 -12.073 0.437 1.00 0.00 C ATOM 1214 O THR A 78 1.158 -12.673 1.482 1.00 0.00 O ATOM 1215 CB THR A 78 -0.152 -10.446 -0.730 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.935 -9.539 -0.798 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.029 -10.093 0.476 1.00 0.00 C ATOM 0 H THR A 78 -1.621 -12.412 -0.335 1.00 0.00 H new ATOM 0 HA THR A 78 0.861 -12.094 -1.631 1.00 0.00 H new ATOM 0 HB THR A 78 -0.772 -10.367 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.869 -9.011 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.373 -9.063 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.889 -10.762 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.449 -10.203 1.392 1.00 0.00 H new ATOM 1225 N LYS A 79 2.586 -11.486 0.200 1.00 0.00 N ATOM 1226 CA LYS A 79 3.646 -11.296 1.168 1.00 0.00 C ATOM 1227 C LYS A 79 3.161 -10.381 2.306 1.00 0.00 C ATOM 1228 O LYS A 79 3.653 -10.493 3.428 1.00 0.00 O ATOM 1229 CB LYS A 79 4.850 -10.701 0.415 1.00 0.00 C ATOM 1230 CG LYS A 79 6.168 -10.691 1.208 1.00 0.00 C ATOM 1231 CD LYS A 79 6.901 -12.031 1.076 1.00 0.00 C ATOM 1232 CE LYS A 79 8.188 -12.042 1.912 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.930 -13.312 1.762 1.00 0.00 N ATOM 0 H LYS A 79 2.826 -11.114 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 79 3.940 -12.238 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.000 -11.266 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.609 -9.678 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.808 -9.886 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.962 -10.487 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.247 -12.840 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.142 -12.215 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.825 -11.211 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.940 -11.888 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.793 -13.281 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.331 -14.103 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.189 -13.447 0.764 1.00 0.00 H new ATOM 1247 N MET A 80 2.242 -9.451 2.019 1.00 0.00 N ATOM 1248 CA MET A 80 1.764 -8.474 2.993 1.00 0.00 C ATOM 1249 C MET A 80 0.943 -9.134 4.104 1.00 0.00 C ATOM 1250 O MET A 80 0.233 -10.116 3.882 1.00 0.00 O ATOM 1251 CB MET A 80 0.964 -7.401 2.254 1.00 0.00 C ATOM 1252 CG MET A 80 0.365 -6.267 3.097 1.00 0.00 C ATOM 1253 SD MET A 80 0.266 -4.699 2.194 1.00 0.00 S ATOM 1254 CE MET A 80 -1.416 -4.097 2.494 1.00 0.00 C ATOM 0 H MET A 80 1.810 -9.358 1.100 1.00 0.00 H new ATOM 0 HA MET A 80 2.617 -8.010 3.488 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.613 -6.955 1.500 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.150 -7.893 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.633 -6.554 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.970 -6.128 3.993 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.516 -3.085 2.101 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.131 -4.752 1.996 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.615 -4.092 3.566 1.00 0.00 H new ATOM 1264 N ILE A 81 1.043 -8.574 5.312 1.00 0.00 N ATOM 1265 CA ILE A 81 0.433 -9.081 6.528 1.00 0.00 C ATOM 1266 C ILE A 81 -0.311 -7.912 7.174 1.00 0.00 C ATOM 1267 O ILE A 81 0.292 -7.097 7.868 1.00 0.00 O ATOM 1268 CB ILE A 81 1.525 -9.636 7.461 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.453 -10.675 6.803 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.916 -10.196 8.755 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.763 -11.981 6.399 1.00 0.00 C ATOM 0 H ILE A 81 1.576 -7.718 5.468 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.262 -9.895 6.322 1.00 0.00 H new ATOM 0 HB ILE A 81 2.159 -8.782 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.905 -10.229 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.264 -10.907 7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.711 -10.581 9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.381 -9.403 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.223 -11.002 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.492 -12.652 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.335 -12.455 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.970 -11.767 5.682 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.616 -7.806 6.918 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.437 -6.729 7.453 1.00 0.00 C ATOM 1285 C PHE A 82 -3.893 -7.202 7.522 1.00 0.00 C ATOM 1286 O PHE A 82 -4.691 -6.963 6.617 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.226 -5.471 6.598 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.850 -4.220 7.169 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.319 -3.646 8.339 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.935 -3.609 6.519 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.895 -2.484 8.878 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.484 -2.428 7.037 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.986 -1.878 8.232 1.00 0.00 C ATOM 0 H PHE A 82 -2.129 -8.466 6.334 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.149 -6.464 8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.156 -5.305 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.638 -5.648 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.467 -4.100 8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.345 -4.048 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.500 -2.057 9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.293 -1.938 6.516 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.441 -0.993 8.652 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.218 -7.959 8.574 1.00 0.00 N ATOM 1304 CA ALA A 83 -5.494 -8.649 8.715 1.00 0.00 C ATOM 1305 C ALA A 83 -6.619 -7.682 9.101 1.00 0.00 C ATOM 1306 O ALA A 83 -7.133 -7.735 10.216 1.00 0.00 O ATOM 1307 CB ALA A 83 -5.342 -9.785 9.733 1.00 0.00 C ATOM 0 H ALA A 83 -3.588 -8.109 9.362 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.777 -9.076 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.294 -10.305 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.583 -10.486 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.041 -9.373 10.696 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.019 -6.825 8.160 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.075 -5.841 8.356 1.00 0.00 C ATOM 1315 C GLY A 84 -7.472 -4.475 8.676 1.00 0.00 C ATOM 1316 O GLY A 84 -6.309 -4.384 9.061 1.00 0.00 O ATOM 0 H GLY A 84 -6.609 -6.798 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.690 -5.774 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.730 -6.157 9.168 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.263 -3.412 8.484 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.781 -2.043 8.446 1.00 0.00 C ATOM 1322 C ILE A 85 -8.251 -1.278 9.686 1.00 0.00 C ATOM 1323 O ILE A 85 -7.443 -0.910 10.535 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.129 -1.443 7.066 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.675 0.013 6.944 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.597 -1.574 6.622 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.194 0.346 5.530 1.00 0.00 C ATOM 0 H ILE A 85 -9.271 -3.490 8.349 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.696 -1.974 8.518 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.563 -2.070 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.500 0.674 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.871 0.203 7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.722 -1.118 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.869 -2.628 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.241 -1.069 7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.881 1.389 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.352 -0.296 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.006 0.182 4.821 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.564 -1.101 9.837 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.196 -0.681 11.081 1.00 0.00 C ATOM 1341 C LYS A 86 -11.666 -1.067 11.027 1.00 0.00 C ATOM 1342 O LYS A 86 -12.154 -1.792 11.886 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.090 0.840 11.319 1.00 0.00 C ATOM 1344 CG LYS A 86 -8.890 1.225 12.192 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.070 2.594 12.877 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.689 2.534 14.281 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.017 1.895 14.304 1.00 0.00 N ATOM 0 H LYS A 86 -10.230 -1.250 9.079 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.678 -1.176 11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.012 1.348 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.006 1.193 11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.738 0.459 12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.990 1.246 11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.098 3.082 12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.698 3.221 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.018 1.987 14.943 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.773 3.546 14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.381 1.885 15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.670 2.429 13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.939 0.919 13.954 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.372 -0.496 10.048 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.822 -0.561 9.951 1.00 0.00 C ATOM 1363 C LYS A 87 -14.274 0.071 8.635 1.00 0.00 C ATOM 1364 O LYS A 87 -15.063 -0.512 7.901 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.456 0.173 11.148 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.967 -0.089 11.225 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.514 0.311 12.603 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.027 0.044 12.680 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.564 0.240 14.045 1.00 0.00 N ATOM 0 H LYS A 87 -11.939 0.032 9.290 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.144 -1.602 9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.980 -0.155 12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.274 1.244 11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.480 0.475 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.169 -1.144 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.999 -0.251 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.315 1.367 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.546 0.708 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.230 -0.976 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.586 0.049 14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.089 -0.411 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.395 1.221 14.347 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.781 1.285 8.366 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.100 2.062 7.173 1.00 0.00 C ATOM 1385 C LYS A 88 -13.208 3.299 7.090 1.00 0.00 C ATOM 1386 O LYS A 88 -12.657 3.587 6.035 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.594 2.436 7.096 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.164 3.126 8.348 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.699 3.229 8.283 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.227 4.296 7.308 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.072 5.674 7.824 1.00 0.00 N ATOM 0 H LYS A 88 -13.132 1.763 8.991 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.898 1.431 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.744 3.093 6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.169 1.530 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.873 2.567 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.735 4.123 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.104 2.259 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.078 3.448 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.698 4.207 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.281 4.106 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.444 6.350 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.598 5.772 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.065 5.870 7.993 1.00 0.00 H new ATOM 1405 N THR A 89 -13.049 4.017 8.207 1.00 0.00 N ATOM 1406 CA THR A 89 -12.302 5.263 8.280 1.00 0.00 C ATOM 1407 C THR A 89 -10.939 5.138 7.607 1.00 0.00 C ATOM 1408 O THR A 89 -10.650 5.871 6.662 1.00 0.00 O ATOM 1409 CB THR A 89 -12.164 5.671 9.752 1.00 0.00 C ATOM 1410 OG1 THR A 89 -11.935 4.518 10.545 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.447 6.347 10.236 1.00 0.00 C ATOM 0 H THR A 89 -13.448 3.736 9.103 1.00 0.00 H new ATOM 0 HA THR A 89 -12.844 6.039 7.740 1.00 0.00 H new ATOM 0 HB THR A 89 -11.328 6.365 9.843 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.845 4.780 11.485 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.336 6.632 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.638 7.237 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.283 5.655 10.135 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.114 4.199 8.073 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.803 3.986 7.488 1.00 0.00 C ATOM 1421 C GLU A 90 -8.884 3.545 6.029 1.00 0.00 C ATOM 1422 O GLU A 90 -8.040 3.936 5.230 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.003 3.004 8.343 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.470 3.743 9.567 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.413 2.953 10.326 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.683 2.152 9.710 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.319 3.179 11.551 1.00 0.00 O ATOM 0 H GLU A 90 -10.336 3.579 8.852 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.277 4.940 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.634 2.170 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.179 2.585 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.046 4.697 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.299 3.968 10.238 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.923 2.790 5.659 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.131 2.379 4.276 1.00 0.00 C ATOM 1436 C ARG A 91 -10.451 3.581 3.376 1.00 0.00 C ATOM 1437 O ARG A 91 -10.483 3.440 2.161 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.203 1.274 4.213 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.993 0.289 3.049 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.841 0.583 1.803 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.254 0.225 2.010 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.909 -0.736 1.338 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.451 -1.214 0.177 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.007 -1.285 1.859 1.00 0.00 N ATOM 0 H ARG A 91 -10.635 2.452 6.306 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.205 1.956 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.201 0.721 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.186 1.736 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.940 0.299 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.220 -0.719 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.766 1.641 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.445 0.026 0.954 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.774 0.745 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.585 -0.849 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.968 -1.944 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.350 -0.975 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.504 -2.015 1.348 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.657 4.767 3.950 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.778 6.003 3.203 1.00 0.00 C ATOM 1460 C GLU A 92 -9.478 6.799 3.381 1.00 0.00 C ATOM 1461 O GLU A 92 -8.869 7.243 2.413 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.032 6.726 3.717 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.529 7.802 2.742 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.241 7.176 1.551 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.319 6.590 1.794 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.690 7.283 0.435 1.00 0.00 O ATOM 0 H GLU A 92 -10.744 4.889 4.959 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.905 5.852 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.825 5.997 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.813 7.186 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.207 8.481 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.686 8.398 2.393 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.035 6.969 4.632 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.937 7.850 5.001 1.00 0.00 C ATOM 1475 C ASP A 93 -6.612 7.391 4.408 1.00 0.00 C ATOM 1476 O ASP A 93 -5.908 8.180 3.793 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.841 8.003 6.531 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.867 9.462 6.966 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.262 10.316 6.283 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.658 9.736 7.895 1.00 0.00 O ATOM 0 H ASP A 93 -9.444 6.483 5.430 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.153 8.830 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.669 7.471 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.921 7.537 6.884 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.253 6.118 4.561 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.010 5.598 3.998 1.00 0.00 C ATOM 1487 C LEU A 94 -4.954 5.852 2.497 1.00 0.00 C ATOM 1488 O LEU A 94 -3.968 6.366 1.971 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.899 4.096 4.288 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.340 3.799 5.685 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.825 3.881 5.619 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.753 4.778 6.785 1.00 0.00 C ATOM 0 H LEU A 94 -6.806 5.428 5.070 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.170 6.115 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.884 3.638 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.257 3.633 3.539 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.741 2.819 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.406 3.673 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.452 3.148 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.528 4.881 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.303 4.474 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.413 5.781 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.839 4.778 6.884 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.045 5.527 1.808 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.115 5.659 0.365 1.00 0.00 C ATOM 1506 C ILE A 95 -6.380 7.125 -0.014 1.00 0.00 C ATOM 1507 O ILE A 95 -6.434 7.445 -1.199 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.113 4.623 -0.201 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.749 3.214 0.321 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.091 4.586 -1.739 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.743 2.696 1.351 1.00 0.00 C ATOM 0 H ILE A 95 -6.898 5.167 2.236 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.162 5.421 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.109 4.918 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.706 2.520 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.753 3.241 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.807 3.845 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.359 5.567 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.091 4.319 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.439 1.703 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.768 3.373 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.735 2.640 0.903 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.469 8.041 0.965 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.514 9.463 0.700 1.00 0.00 C ATOM 1525 C ALA A 96 -5.075 9.961 0.763 1.00 0.00 C ATOM 1526 O ALA A 96 -4.572 10.524 -0.207 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.439 10.158 1.702 1.00 0.00 C ATOM 0 H ALA A 96 -6.511 7.803 1.956 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.929 9.688 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.465 11.227 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.445 9.747 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.067 9.995 2.714 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.384 9.670 1.871 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.969 9.944 2.015 1.00 0.00 C ATOM 1535 C TYR A 97 -2.207 9.479 0.792 1.00 0.00 C ATOM 1536 O TYR A 97 -1.501 10.270 0.180 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.354 9.267 3.244 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.830 9.347 3.271 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.182 10.486 2.760 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.049 8.246 3.672 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.212 10.542 2.657 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.352 8.308 3.592 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.993 9.462 3.091 1.00 0.00 C ATOM 1544 OH TYR A 97 3.350 9.575 3.048 1.00 0.00 O ATOM 0 H TYR A 97 -4.803 9.235 2.693 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.886 11.024 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.752 9.733 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.657 8.220 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.771 11.333 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.528 7.352 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.687 11.419 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.944 7.465 3.917 1.00 0.00 H new ATOM 0 HH TYR A 97 3.594 10.478 2.755 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.297 8.201 0.440 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.456 7.695 -0.630 1.00 0.00 C ATOM 1556 C LEU A 98 -1.729 8.392 -1.964 1.00 0.00 C ATOM 1557 O LEU A 98 -0.840 8.460 -2.815 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.528 6.174 -0.696 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.012 5.535 0.602 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.116 4.014 0.479 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.431 5.924 0.946 1.00 0.00 C ATOM 0 H LEU A 98 -2.924 7.518 0.866 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.420 7.944 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.558 5.864 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.938 5.816 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.634 5.911 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.752 3.549 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.157 3.732 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.513 3.675 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.728 5.436 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.095 5.608 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.497 7.005 1.067 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.917 8.987 -2.105 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.290 9.729 -3.301 1.00 0.00 C ATOM 1575 C LYS A 99 -2.461 11.015 -3.444 1.00 0.00 C ATOM 1576 O LYS A 99 -2.373 11.564 -4.541 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.804 9.986 -3.277 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.418 9.875 -4.678 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.951 10.009 -4.672 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.626 8.976 -3.750 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.083 8.891 -3.973 1.00 0.00 N ATOM 0 H LYS A 99 -3.644 8.965 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.063 9.139 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.285 9.270 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.999 10.979 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.993 10.649 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.144 8.914 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.224 11.014 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.328 9.887 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.178 7.996 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.435 9.241 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.439 7.987 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.556 9.676 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.282 8.950 -4.992 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.829 11.465 -2.354 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.825 12.519 -2.331 1.00 0.00 C ATOM 1597 C LYS A 100 0.579 11.961 -2.079 1.00 0.00 C ATOM 1598 O LYS A 100 1.535 12.598 -2.484 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.166 13.636 -1.330 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.035 13.237 0.149 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.612 14.407 1.055 1.00 0.00 C ATOM 1602 CE LYS A 100 0.890 14.682 0.880 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.449 15.590 1.900 1.00 0.00 N ATOM 0 H LYS A 100 -2.016 11.084 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.832 12.969 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.514 14.488 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.187 13.969 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.989 12.841 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.304 12.433 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.186 15.299 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.829 14.170 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.430 13.736 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.059 15.111 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.429 15.313 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.435 16.566 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.878 15.532 2.767 1.00 0.00 H new ATOM 1617 N ALA A 101 0.753 10.810 -1.416 1.00 0.00 N ATOM 1618 CA ALA A 101 2.082 10.246 -1.163 1.00 0.00 C ATOM 1619 C ALA A 101 2.756 9.895 -2.481 1.00 0.00 C ATOM 1620 O ALA A 101 3.967 10.023 -2.642 1.00 0.00 O ATOM 1621 CB ALA A 101 1.997 8.984 -0.308 1.00 0.00 C ATOM 0 H ALA A 101 -0.015 10.251 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 101 2.662 10.998 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.999 8.591 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.535 9.224 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.396 8.235 -0.824 1.00 0.00 H new ATOM 1627 N THR A 102 1.936 9.458 -3.437 1.00 0.00 N ATOM 1628 CA THR A 102 2.352 9.210 -4.806 1.00 0.00 C ATOM 1629 C THR A 102 2.964 10.465 -5.456 1.00 0.00 C ATOM 1630 O THR A 102 3.603 10.347 -6.501 1.00 0.00 O ATOM 1631 CB THR A 102 1.138 8.646 -5.562 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.493 7.936 -6.732 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.114 9.734 -5.904 1.00 0.00 C ATOM 0 H THR A 102 0.948 9.265 -3.273 1.00 0.00 H new ATOM 0 HA THR A 102 3.157 8.476 -4.840 1.00 0.00 H new ATOM 0 HB THR A 102 0.678 7.938 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.717 7.877 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.726 9.289 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.245 10.198 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.583 10.490 -6.533 1.00 0.00 H new ATOM 1641 N ASN A 103 2.748 11.647 -4.862 1.00 0.00 N ATOM 1642 CA ASN A 103 3.320 12.923 -5.275 1.00 0.00 C ATOM 1643 C ASN A 103 3.413 13.892 -4.076 1.00 0.00 C ATOM 1644 O ASN A 103 2.725 14.914 -4.074 1.00 0.00 O ATOM 1645 CB ASN A 103 2.439 13.491 -6.403 1.00 0.00 C ATOM 1646 CG ASN A 103 2.960 14.812 -6.962 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.162 15.048 -7.014 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.059 15.675 -7.426 1.00 0.00 N ATOM 0 H ASN A 103 2.143 11.737 -4.046 1.00 0.00 H new ATOM 0 HA ASN A 103 4.337 12.787 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.377 12.761 -7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.426 13.637 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.363 16.558 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.065 15.454 -7.370 1.00 0.00 H new ATOM 1655 N GLU A 104 4.232 13.574 -3.058 1.00 0.00 N ATOM 1656 CA GLU A 104 4.652 14.512 -2.013 1.00 0.00 C ATOM 1657 C GLU A 104 6.180 14.506 -1.990 1.00 0.00 C ATOM 1658 O GLU A 104 6.751 15.492 -1.475 1.00 0.00 O ATOM 1659 CB GLU A 104 3.994 14.255 -0.625 1.00 0.00 C ATOM 1660 CG GLU A 104 4.631 13.223 0.342 1.00 0.00 C ATOM 1661 CD GLU A 104 4.045 13.197 1.769 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.645 14.267 2.290 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.979 12.105 2.379 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.743 13.519 -2.520 1.00 0.00 O ATOM 0 H GLU A 104 4.625 12.640 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 104 4.292 15.513 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.951 15.210 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.965 13.943 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.524 12.230 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.699 13.428 0.411 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.875 -2.997 2.604 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.770 -4.077 -0.604 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.040 -0.458 1.299 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.011 -2.099 5.826 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.882 -5.522 3.939 1.00 0.00 C HETATM 1677 NA HEC A 105 1.416 -2.424 0.690 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.906 -2.980 -0.465 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.406 -2.187 -1.567 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.611 -1.192 -1.030 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.660 -1.333 0.405 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.123 -0.092 -1.771 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.681 -2.416 -3.041 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.128 -2.279 -3.535 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.902 -1.149 -2.887 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.350 -1.368 -1.743 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.064 -0.108 -3.556 1.00 0.00 O HETATM 1688 NB HEC A 105 0.724 -1.539 3.423 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.079 -0.592 2.698 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.571 0.294 3.640 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.350 -0.204 4.913 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.508 -1.353 4.760 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.348 1.530 3.262 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.951 0.244 6.244 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.480 0.269 6.255 1.00 0.00 C HETATM 1696 NC HEC A 105 2.341 -3.697 4.525 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.885 -3.152 5.672 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.498 -3.842 6.777 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.404 -4.726 6.242 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.207 -4.699 4.813 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.269 -3.537 8.237 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.590 -5.360 6.942 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.240 -6.559 7.825 1.00 0.00 C HETATM 1704 ND HEC A 105 3.102 -4.547 1.806 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.808 -5.430 2.562 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.522 -6.303 1.672 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.200 -5.938 0.386 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.306 -4.794 0.474 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.442 -7.431 2.065 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.754 -6.630 -0.841 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.750 -6.909 -1.974 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.991 -6.060 -3.221 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.262 -6.281 -4.209 1.00 0.00 O HETATM 1714 O2D HEC A 105 4.899 -5.204 -3.174 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.268 -7.037 2.657 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.889 -8.163 2.655 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.834 -7.910 1.168 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.566 -2.509 8.445 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.213 -3.665 8.474 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.863 -4.217 8.848 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.694 2.223 2.732 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.182 1.252 2.618 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.730 2.010 4.163 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.595 0.520 -2.317 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.830 -0.535 -2.472 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.662 0.531 -1.057 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.804 -7.963 -2.245 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.740 -6.725 -1.608 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.543 -6.247 8.603 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.779 -7.337 7.216 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.148 -6.949 8.286 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.838 0.959 5.491 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.862 -0.731 6.049 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.832 0.597 7.233 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.653 -3.216 -3.351 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.119 -2.126 -4.614 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.563 -6.020 -1.243 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.193 -7.578 -0.531 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.336 -3.419 -3.293 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.067 -1.716 -3.608 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.518 -6.299 4.362 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.695 -1.834 6.835 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.511 0.386 0.884 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.041 -4.391 -1.612 1.00 0.00 H new HETATM 0 H2D HEC A 105 5.571 -5.403 -3.859 1.00 0.00 H new HETATM 0 H2A HEC A 105 5.010 0.146 -3.542 1.00 0.00 H new