USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=27 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 NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 70 ASN : amide:sc= 0.477 K(o=1.7,f=-7.6!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -175:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.2 K(o=1.7,f=-0.31) USER MOD Set 2.2: A 67 TYR OH : rot -125:sc= 0.913 USER MOD Set 2.3: A 78 THR OG1 : rot 36:sc= 2.03 USER MOD Set 3.1: A 40 THR OG1 : rot 122:sc= 2.07 USER MOD Set 3.2: A 48 TYR OH : rot -133:sc= 0.195 USER MOD Set 4.1: A 19 THR OG1 : rot -130:sc= 0.263 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.73 K(o=2,f=-2.5!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -143:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 12 GLN : amide:sc= 1.1 K(o=2.3,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -162:sc= 0.509 (180deg=-0.173) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 7 LYS NZ :NH3+ -110:sc= 0.939 (180deg=-0.834!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0.214 (180deg=0.0479) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0065) 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= -0.213 K(o=-0.21,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00684 USER MOD Single : A 33 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.77 USER MOD Single : A 49 THR OG1 : rot -97:sc= 1.24 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.17) USER MOD Single : A 54 ASN : amide:sc= -0.0905 X(o=-0.09,f=-0.17) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.07) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.106 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.242 (180deg=-0.242) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0232) USER MOD Single : A 88 LYS NZ :NH3+ -110:sc= 0.866 (180deg=-0.909!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 97 TYR OH : rot -1:sc= 1.23 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 137:sc= 1.13 (180deg=0.941) USER MOD Single : A 102 THR OG1 : rot 92:sc= 0.441 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 105 HEC O2A : rot -117:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.052 10.009 5.010 1.00 0.00 N ATOM 2 CA GLY A 1 -11.079 10.420 6.015 1.00 0.00 C ATOM 3 C GLY A 1 -10.413 11.651 5.426 1.00 0.00 C ATOM 4 O GLY A 1 -11.135 12.406 4.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.752 9.375 5.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.534 10.848 4.630 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.565 9.510 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.563 10.648 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.352 9.631 6.209 1.00 0.00 H new ATOM 10 N ASP A 2 -9.101 11.831 5.578 1.00 0.00 N ATOM 11 CA ASP A 2 -8.380 12.957 4.995 1.00 0.00 C ATOM 12 C ASP A 2 -6.904 12.581 4.871 1.00 0.00 C ATOM 13 O ASP A 2 -6.483 11.584 5.453 1.00 0.00 O ATOM 14 CB ASP A 2 -8.569 14.209 5.867 1.00 0.00 C ATOM 15 CG ASP A 2 -8.372 15.509 5.093 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.621 15.479 4.094 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.971 16.511 5.527 1.00 0.00 O ATOM 0 H ASP A 2 -8.508 11.196 6.112 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.770 13.185 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.570 14.197 6.298 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.864 14.177 6.698 1.00 0.00 H new ATOM 22 N VAL A 3 -6.118 13.365 4.138 1.00 0.00 N ATOM 23 CA VAL A 3 -4.712 13.150 3.897 1.00 0.00 C ATOM 24 C VAL A 3 -3.901 13.335 5.184 1.00 0.00 C ATOM 25 O VAL A 3 -2.929 12.619 5.426 1.00 0.00 O ATOM 26 CB VAL A 3 -4.252 14.086 2.764 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.101 13.910 1.498 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.213 15.576 3.135 1.00 0.00 C ATOM 0 H VAL A 3 -6.470 14.205 3.678 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.540 12.122 3.579 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.224 13.778 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.744 14.588 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.020 12.882 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.143 14.135 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.878 16.156 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.210 15.904 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.523 15.726 3.966 1.00 0.00 H new ATOM 38 N GLU A 4 -4.301 14.302 6.013 1.00 0.00 N ATOM 39 CA GLU A 4 -3.609 14.643 7.247 1.00 0.00 C ATOM 40 C GLU A 4 -3.747 13.499 8.247 1.00 0.00 C ATOM 41 O GLU A 4 -2.761 13.028 8.814 1.00 0.00 O ATOM 42 CB GLU A 4 -4.174 15.946 7.820 1.00 0.00 C ATOM 43 CG GLU A 4 -3.772 17.164 6.975 1.00 0.00 C ATOM 44 CD GLU A 4 -2.749 18.030 7.703 1.00 0.00 C ATOM 45 OE1 GLU A 4 -3.159 18.722 8.653 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.556 17.930 7.326 1.00 0.00 O ATOM 0 H GLU A 4 -5.127 14.875 5.839 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.549 14.794 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.261 15.880 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.817 16.079 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.357 16.829 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.657 17.758 6.745 1.00 0.00 H new ATOM 53 N LYS A 5 -4.984 13.044 8.454 1.00 0.00 N ATOM 54 CA LYS A 5 -5.245 11.859 9.254 1.00 0.00 C ATOM 55 C LYS A 5 -4.564 10.660 8.605 1.00 0.00 C ATOM 56 O LYS A 5 -3.807 9.966 9.277 1.00 0.00 O ATOM 57 CB LYS A 5 -6.758 11.656 9.416 1.00 0.00 C ATOM 58 CG LYS A 5 -7.279 12.479 10.599 1.00 0.00 C ATOM 59 CD LYS A 5 -7.070 11.693 11.907 1.00 0.00 C ATOM 60 CE LYS A 5 -7.116 12.575 13.164 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.371 13.345 13.278 1.00 0.00 N ATOM 0 H LYS A 5 -5.821 13.485 8.074 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.832 11.978 10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.272 11.954 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.976 10.600 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.756 13.434 10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.337 12.702 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.837 10.922 11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.108 11.183 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.999 11.947 14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.272 13.265 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.376 13.869 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.440 14.015 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.181 12.694 13.252 1.00 0.00 H new ATOM 75 N GLY A 6 -4.772 10.464 7.302 1.00 0.00 N ATOM 76 CA GLY A 6 -4.236 9.322 6.580 1.00 0.00 C ATOM 77 C GLY A 6 -2.746 9.166 6.840 1.00 0.00 C ATOM 78 O GLY A 6 -2.320 8.114 7.306 1.00 0.00 O ATOM 0 H GLY A 6 -5.320 11.098 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.759 8.416 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.412 9.447 5.512 1.00 0.00 H new ATOM 82 N LYS A 7 -1.949 10.210 6.589 1.00 0.00 N ATOM 83 CA LYS A 7 -0.502 10.126 6.745 1.00 0.00 C ATOM 84 C LYS A 7 -0.093 9.791 8.173 1.00 0.00 C ATOM 85 O LYS A 7 0.866 9.051 8.391 1.00 0.00 O ATOM 86 CB LYS A 7 0.198 11.338 6.117 1.00 0.00 C ATOM 87 CG LYS A 7 0.186 12.542 7.041 1.00 0.00 C ATOM 88 CD LYS A 7 0.367 13.846 6.251 1.00 0.00 C ATOM 89 CE LYS A 7 0.354 15.061 7.192 1.00 0.00 C ATOM 90 NZ LYS A 7 0.134 16.324 6.460 1.00 0.00 N ATOM 0 H LYS A 7 -2.286 11.121 6.277 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.138 9.273 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.228 11.077 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.294 11.596 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.755 12.573 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.983 12.446 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.308 13.816 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.430 13.943 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.430 14.933 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.301 15.114 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.009 16.886 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.135 16.114 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.627 16.864 6.920 1.00 0.00 H new ATOM 104 N LYS A 8 -0.850 10.293 9.146 1.00 0.00 N ATOM 105 CA LYS A 8 -0.546 10.063 10.542 1.00 0.00 C ATOM 106 C LYS A 8 -0.803 8.605 10.896 1.00 0.00 C ATOM 107 O LYS A 8 0.066 7.932 11.450 1.00 0.00 O ATOM 108 CB LYS A 8 -1.394 10.997 11.422 1.00 0.00 C ATOM 109 CG LYS A 8 -0.671 12.317 11.713 1.00 0.00 C ATOM 110 CD LYS A 8 0.051 12.260 13.070 1.00 0.00 C ATOM 111 CE LYS A 8 1.117 11.150 13.136 1.00 0.00 C ATOM 112 NZ LYS A 8 1.637 10.928 14.498 1.00 0.00 N ATOM 0 H LYS A 8 -1.680 10.863 8.984 1.00 0.00 H new ATOM 0 HA LYS A 8 0.507 10.280 10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.342 11.204 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.629 10.497 12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.050 12.524 10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.389 13.137 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.524 13.223 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.683 12.099 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.689 10.220 12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.944 11.409 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.653 10.713 14.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.490 11.785 15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.134 10.130 14.936 1.00 0.00 H new ATOM 126 N ILE A 9 -2.012 8.136 10.601 1.00 0.00 N ATOM 127 CA ILE A 9 -2.474 6.825 10.996 1.00 0.00 C ATOM 128 C ILE A 9 -1.664 5.781 10.233 1.00 0.00 C ATOM 129 O ILE A 9 -1.206 4.795 10.807 1.00 0.00 O ATOM 130 CB ILE A 9 -3.983 6.763 10.722 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.788 7.630 11.712 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.480 5.320 10.749 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.867 7.070 13.139 1.00 0.00 C ATOM 0 H ILE A 9 -2.702 8.670 10.073 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.326 6.622 12.057 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.145 7.171 9.724 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.341 8.623 11.751 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.801 7.751 11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.552 5.301 10.552 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.960 4.742 9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.283 4.886 11.729 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.452 7.746 13.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.344 6.090 13.119 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.861 6.976 13.549 1.00 0.00 H new ATOM 145 N PHE A 10 -1.457 6.034 8.941 1.00 0.00 N ATOM 146 CA PHE A 10 -0.537 5.293 8.103 1.00 0.00 C ATOM 147 C PHE A 10 0.804 5.150 8.800 1.00 0.00 C ATOM 148 O PHE A 10 1.180 4.044 9.168 1.00 0.00 O ATOM 149 CB PHE A 10 -0.377 6.049 6.772 1.00 0.00 C ATOM 150 CG PHE A 10 0.737 5.571 5.874 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.533 4.489 5.021 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.029 6.093 6.008 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.620 3.856 4.409 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.129 5.427 5.471 1.00 0.00 C ATOM 155 CZ PHE A 10 2.925 4.299 4.664 1.00 0.00 C ATOM 0 H PHE A 10 -1.941 6.781 8.443 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.925 4.292 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.316 5.981 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.213 7.104 6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.470 4.137 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.175 7.024 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.453 3.025 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.130 5.777 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.769 3.774 4.241 1.00 0.00 H new ATOM 165 N VAL A 11 1.535 6.244 9.010 1.00 0.00 N ATOM 166 CA VAL A 11 2.846 6.148 9.607 1.00 0.00 C ATOM 167 C VAL A 11 2.772 5.378 10.937 1.00 0.00 C ATOM 168 O VAL A 11 3.633 4.548 11.218 1.00 0.00 O ATOM 169 CB VAL A 11 3.478 7.549 9.712 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.569 7.591 10.776 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.064 8.060 8.387 1.00 0.00 C ATOM 0 H VAL A 11 1.238 7.191 8.776 1.00 0.00 H new ATOM 0 HA VAL A 11 3.514 5.566 8.972 1.00 0.00 H new ATOM 0 HB VAL A 11 2.655 8.207 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.993 8.594 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.142 7.332 11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.353 6.877 10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.492 9.051 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.842 7.377 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.275 8.115 7.637 1.00 0.00 H new ATOM 181 N GLN A 12 1.724 5.606 11.734 1.00 0.00 N ATOM 182 CA GLN A 12 1.496 4.877 12.969 1.00 0.00 C ATOM 183 C GLN A 12 1.389 3.351 12.788 1.00 0.00 C ATOM 184 O GLN A 12 1.772 2.642 13.716 1.00 0.00 O ATOM 185 CB GLN A 12 0.288 5.492 13.699 1.00 0.00 C ATOM 186 CG GLN A 12 0.735 6.458 14.811 1.00 0.00 C ATOM 187 CD GLN A 12 -0.250 7.598 15.066 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.129 8.773 15.054 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.516 7.272 15.313 1.00 0.00 N ATOM 0 H GLN A 12 1.011 6.307 11.533 1.00 0.00 H new ATOM 0 HA GLN A 12 2.381 4.990 13.596 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.339 6.024 12.983 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.322 4.698 14.129 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.874 5.896 15.735 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.705 6.880 14.546 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.799 6.292 15.316 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.204 8.002 15.499 1.00 0.00 H new ATOM 198 N LYS A 13 0.881 2.815 11.664 1.00 0.00 N ATOM 199 CA LYS A 13 0.751 1.362 11.512 1.00 0.00 C ATOM 200 C LYS A 13 0.919 0.811 10.086 1.00 0.00 C ATOM 201 O LYS A 13 0.381 -0.246 9.752 1.00 0.00 O ATOM 202 CB LYS A 13 -0.529 0.887 12.208 1.00 0.00 C ATOM 203 CG LYS A 13 -1.790 1.722 11.991 1.00 0.00 C ATOM 204 CD LYS A 13 -2.276 1.672 10.539 1.00 0.00 C ATOM 205 CE LYS A 13 -3.806 1.727 10.572 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.408 1.893 9.241 1.00 0.00 N ATOM 0 H LYS A 13 0.560 3.358 10.863 1.00 0.00 H new ATOM 0 HA LYS A 13 1.615 0.925 12.013 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.736 -0.131 11.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.334 0.841 13.279 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.580 1.361 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.591 2.757 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.873 2.509 9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.934 0.760 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.186 0.811 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.120 2.552 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.388 2.225 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.861 2.591 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.401 0.981 8.741 1.00 0.00 H new ATOM 220 N CYS A 14 1.719 1.485 9.266 1.00 0.00 N ATOM 221 CA CYS A 14 2.137 1.040 7.940 1.00 0.00 C ATOM 222 C CYS A 14 3.643 1.298 7.783 1.00 0.00 C ATOM 223 O CYS A 14 4.369 0.433 7.301 1.00 0.00 O ATOM 224 CB CYS A 14 1.397 1.762 6.839 1.00 0.00 C ATOM 225 SG CYS A 14 -0.423 1.817 6.899 1.00 0.00 S ATOM 0 H CYS A 14 2.110 2.393 9.517 1.00 0.00 H new ATOM 0 HA CYS A 14 1.909 -0.022 7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.758 2.790 6.817 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.683 1.303 5.892 1.00 0.00 H new ATOM 230 N ALA A 15 4.127 2.486 8.180 1.00 0.00 N ATOM 231 CA ALA A 15 5.510 2.915 7.953 1.00 0.00 C ATOM 232 C ALA A 15 6.571 1.937 8.433 1.00 0.00 C ATOM 233 O ALA A 15 7.622 1.847 7.805 1.00 0.00 O ATOM 234 CB ALA A 15 5.794 4.277 8.559 1.00 0.00 C ATOM 0 H ALA A 15 3.562 3.179 8.671 1.00 0.00 H new ATOM 0 HA ALA A 15 5.583 2.963 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.831 4.552 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.132 5.019 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.624 4.239 9.635 1.00 0.00 H new ATOM 240 N GLN A 16 6.314 1.221 9.533 1.00 0.00 N ATOM 241 CA GLN A 16 7.195 0.170 10.004 1.00 0.00 C ATOM 242 C GLN A 16 7.651 -0.732 8.851 1.00 0.00 C ATOM 243 O GLN A 16 8.808 -1.146 8.806 1.00 0.00 O ATOM 244 CB GLN A 16 6.478 -0.657 11.079 1.00 0.00 C ATOM 245 CG GLN A 16 7.523 -1.148 12.078 1.00 0.00 C ATOM 246 CD GLN A 16 7.057 -2.369 12.864 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.928 -2.421 13.338 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.922 -3.370 13.003 1.00 0.00 N ATOM 0 H GLN A 16 5.488 1.361 10.115 1.00 0.00 H new ATOM 0 HA GLN A 16 8.084 0.630 10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.724 -0.053 11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.959 -1.502 10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.442 -1.393 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.762 -0.343 12.773 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.855 -3.298 12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.652 -4.210 13.515 1.00 0.00 H new ATOM 257 N CYS A 17 6.723 -1.031 7.937 1.00 0.00 N ATOM 258 CA CYS A 17 6.968 -1.798 6.732 1.00 0.00 C ATOM 259 C CYS A 17 7.227 -0.872 5.526 1.00 0.00 C ATOM 260 O CYS A 17 8.001 -1.249 4.650 1.00 0.00 O ATOM 261 CB CYS A 17 5.815 -2.745 6.491 1.00 0.00 C ATOM 262 SG CYS A 17 5.582 -3.933 7.861 1.00 0.00 S ATOM 0 H CYS A 17 5.752 -0.732 8.027 1.00 0.00 H new ATOM 0 HA CYS A 17 7.872 -2.393 6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.899 -2.169 6.355 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.988 -3.293 5.565 1.00 0.00 H new ATOM 267 N HIS A 18 6.604 0.318 5.458 1.00 0.00 N ATOM 268 CA HIS A 18 6.596 1.176 4.267 1.00 0.00 C ATOM 269 C HIS A 18 6.945 2.635 4.579 1.00 0.00 C ATOM 270 O HIS A 18 6.057 3.474 4.652 1.00 0.00 O ATOM 271 CB HIS A 18 5.184 1.169 3.672 1.00 0.00 C ATOM 272 CG HIS A 18 4.721 -0.159 3.167 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.043 -0.696 1.946 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.653 -0.848 3.669 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.190 -1.704 1.728 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.331 -1.850 2.744 1.00 0.00 N ATOM 0 H HIS A 18 6.085 0.713 6.242 1.00 0.00 H new ATOM 0 HA HIS A 18 7.347 0.780 3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.484 1.517 4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.147 1.886 2.852 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.789 -0.386 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.150 -0.656 4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.194 -2.322 0.843 1.00 0.00 H new ATOM 284 N THR A 19 8.212 3.018 4.695 1.00 0.00 N ATOM 285 CA THR A 19 8.516 4.359 5.195 1.00 0.00 C ATOM 286 C THR A 19 8.040 5.531 4.315 1.00 0.00 C ATOM 287 O THR A 19 8.067 6.666 4.774 1.00 0.00 O ATOM 288 CB THR A 19 10.013 4.483 5.468 1.00 0.00 C ATOM 289 OG1 THR A 19 10.726 4.275 4.261 1.00 0.00 O ATOM 290 CG2 THR A 19 10.484 3.478 6.525 1.00 0.00 C ATOM 0 H THR A 19 9.022 2.444 4.460 1.00 0.00 H new ATOM 0 HA THR A 19 7.936 4.452 6.113 1.00 0.00 H new ATOM 0 HB THR A 19 10.206 5.484 5.854 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.436 3.616 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.555 3.599 6.690 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.950 3.655 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.282 2.464 6.179 1.00 0.00 H new ATOM 298 N VAL A 20 7.639 5.276 3.064 1.00 0.00 N ATOM 299 CA VAL A 20 7.267 6.262 2.045 1.00 0.00 C ATOM 300 C VAL A 20 8.186 7.497 1.983 1.00 0.00 C ATOM 301 O VAL A 20 7.730 8.592 1.670 1.00 0.00 O ATOM 302 CB VAL A 20 5.768 6.621 2.120 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.876 5.390 1.946 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.351 7.351 3.401 1.00 0.00 C ATOM 0 H VAL A 20 7.561 4.320 2.717 1.00 0.00 H new ATOM 0 HA VAL A 20 7.432 5.769 1.087 1.00 0.00 H new ATOM 0 HB VAL A 20 5.625 7.312 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.829 5.688 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.069 4.935 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.093 4.669 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.282 7.563 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.569 6.723 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.904 8.286 3.483 1.00 0.00 H new ATOM 314 N GLU A 21 9.491 7.303 2.209 1.00 0.00 N ATOM 315 CA GLU A 21 10.500 8.360 2.196 1.00 0.00 C ATOM 316 C GLU A 21 11.576 8.097 1.142 1.00 0.00 C ATOM 317 O GLU A 21 12.343 8.999 0.821 1.00 0.00 O ATOM 318 CB GLU A 21 11.167 8.456 3.574 1.00 0.00 C ATOM 319 CG GLU A 21 10.334 9.263 4.576 1.00 0.00 C ATOM 320 CD GLU A 21 10.995 9.310 5.949 1.00 0.00 C ATOM 321 OE1 GLU A 21 12.054 8.657 6.098 1.00 0.00 O ATOM 322 OE2 GLU A 21 10.434 10.000 6.826 1.00 0.00 O ATOM 0 H GLU A 21 9.880 6.382 2.411 1.00 0.00 H new ATOM 0 HA GLU A 21 9.997 9.295 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.328 7.452 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.148 8.918 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.198 10.278 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.342 8.820 4.665 1.00 0.00 H new ATOM 329 N LYS A 22 11.687 6.856 0.646 1.00 0.00 N ATOM 330 CA LYS A 22 12.718 6.472 -0.313 1.00 0.00 C ATOM 331 C LYS A 22 14.139 6.728 0.216 1.00 0.00 C ATOM 332 O LYS A 22 15.079 6.836 -0.568 1.00 0.00 O ATOM 333 CB LYS A 22 12.429 7.164 -1.657 1.00 0.00 C ATOM 334 CG LYS A 22 11.324 6.437 -2.433 1.00 0.00 C ATOM 335 CD LYS A 22 11.852 5.871 -3.759 1.00 0.00 C ATOM 336 CE LYS A 22 12.914 4.781 -3.538 1.00 10.00 C ATOM 337 NZ LYS A 22 13.497 4.315 -4.813 1.00 10.00 N ATOM 0 H LYS A 22 11.060 6.093 0.903 1.00 0.00 H new ATOM 0 HA LYS A 22 12.681 5.394 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.132 8.198 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.339 7.192 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.922 5.627 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.502 7.126 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.022 5.458 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.280 6.679 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.705 5.170 -2.897 1.00 10.00 H new ATOM 0 HE3 LYS A 22 12.465 3.937 -3.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 14.208 3.581 -4.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 12.746 3.921 -5.415 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 13.948 5.115 -5.301 1.00 10.00 H new ATOM 351 N GLY A 23 14.297 6.750 1.544 1.00 0.00 N ATOM 352 CA GLY A 23 15.572 6.946 2.221 1.00 0.00 C ATOM 353 C GLY A 23 16.067 5.635 2.828 1.00 0.00 C ATOM 354 O GLY A 23 17.220 5.260 2.638 1.00 0.00 O ATOM 0 H GLY A 23 13.517 6.628 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.310 7.327 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.462 7.697 3.004 1.00 0.00 H new ATOM 358 N GLY A 24 15.190 4.955 3.576 1.00 0.00 N ATOM 359 CA GLY A 24 15.514 3.728 4.289 1.00 0.00 C ATOM 360 C GLY A 24 15.613 2.524 3.356 1.00 0.00 C ATOM 361 O GLY A 24 16.539 2.405 2.557 1.00 0.00 O ATOM 0 H GLY A 24 14.222 5.252 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.460 3.855 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.752 3.538 5.045 1.00 0.00 H new ATOM 365 N LYS A 25 14.666 1.596 3.485 1.00 0.00 N ATOM 366 CA LYS A 25 14.639 0.347 2.742 1.00 0.00 C ATOM 367 C LYS A 25 13.221 -0.208 2.770 1.00 0.00 C ATOM 368 O LYS A 25 12.354 0.352 3.442 1.00 0.00 O ATOM 369 CB LYS A 25 15.629 -0.659 3.366 1.00 0.00 C ATOM 370 CG LYS A 25 16.556 -1.341 2.349 1.00 0.00 C ATOM 371 CD LYS A 25 17.604 -0.358 1.809 1.00 0.00 C ATOM 372 CE LYS A 25 18.704 -1.092 1.031 1.00 0.00 C ATOM 373 NZ LYS A 25 19.756 -0.162 0.570 1.00 0.00 N ATOM 0 H LYS A 25 13.879 1.699 4.126 1.00 0.00 H new ATOM 0 HA LYS A 25 14.939 0.521 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.239 -0.141 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.065 -1.425 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.056 -2.188 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.965 -1.738 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.121 0.372 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.048 0.196 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.148 -1.860 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.266 -1.601 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.483 -0.692 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.336 0.556 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.191 0.305 1.391 1.00 0.00 H new ATOM 387 N HIS A 26 13.026 -1.306 2.039 1.00 0.00 N ATOM 388 CA HIS A 26 11.777 -2.027 1.914 1.00 0.00 C ATOM 389 C HIS A 26 11.787 -3.272 2.818 1.00 0.00 C ATOM 390 O HIS A 26 11.516 -3.180 4.011 1.00 0.00 O ATOM 391 CB HIS A 26 11.541 -2.334 0.429 1.00 0.00 C ATOM 392 CG HIS A 26 12.725 -2.782 -0.405 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.817 -3.526 -0.002 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.866 -2.548 -1.748 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.589 -3.733 -1.083 1.00 0.00 C ATOM 396 NE2 HIS A 26 14.051 -3.157 -2.169 1.00 0.00 N ATOM 0 H HIS A 26 13.777 -1.730 1.495 1.00 0.00 H new ATOM 0 HA HIS A 26 10.936 -1.426 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.777 -3.109 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.126 -1.439 -0.035 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.182 -1.991 -2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.516 -4.287 -1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.432 -3.163 -3.115 1.00 0.00 H new ATOM 404 N LYS A 27 12.120 -4.445 2.263 1.00 0.00 N ATOM 405 CA LYS A 27 12.360 -5.705 2.966 1.00 0.00 C ATOM 406 C LYS A 27 11.037 -6.359 3.356 1.00 0.00 C ATOM 407 O LYS A 27 10.764 -7.490 2.958 1.00 0.00 O ATOM 408 CB LYS A 27 13.333 -5.530 4.156 1.00 0.00 C ATOM 409 CG LYS A 27 14.037 -6.830 4.600 1.00 0.00 C ATOM 410 CD LYS A 27 13.210 -7.749 5.523 1.00 0.00 C ATOM 411 CE LYS A 27 13.116 -7.265 6.981 1.00 0.00 C ATOM 412 NZ LYS A 27 14.346 -7.533 7.757 1.00 0.00 N ATOM 0 H LYS A 27 12.235 -4.542 1.254 1.00 0.00 H new ATOM 0 HA LYS A 27 12.864 -6.390 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.091 -4.795 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.782 -5.122 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.316 -7.394 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.962 -6.565 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.202 -7.840 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.650 -8.746 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.913 -6.194 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.272 -7.754 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.225 -7.186 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.529 -8.557 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.150 -7.045 7.313 1.00 0.00 H new ATOM 426 N THR A 28 10.233 -5.657 4.152 1.00 0.00 N ATOM 427 CA THR A 28 8.933 -6.130 4.606 1.00 0.00 C ATOM 428 C THR A 28 7.809 -5.295 3.987 1.00 0.00 C ATOM 429 O THR A 28 6.655 -5.548 4.289 1.00 0.00 O ATOM 430 CB THR A 28 8.892 -6.136 6.143 1.00 0.00 C ATOM 431 OG1 THR A 28 10.128 -6.627 6.626 1.00 0.00 O ATOM 432 CG2 THR A 28 7.796 -7.046 6.723 1.00 0.00 C ATOM 0 H THR A 28 10.473 -4.730 4.503 1.00 0.00 H new ATOM 0 HA THR A 28 8.777 -7.155 4.271 1.00 0.00 H new ATOM 0 HB THR A 28 8.686 -5.111 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.117 -6.635 7.606 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.825 -7.002 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.820 -6.710 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.965 -8.072 6.397 1.00 0.00 H new ATOM 440 N GLY A 29 8.102 -4.350 3.093 1.00 0.00 N ATOM 441 CA GLY A 29 7.079 -3.564 2.430 1.00 0.00 C ATOM 442 C GLY A 29 7.777 -2.639 1.441 1.00 0.00 C ATOM 443 O GLY A 29 8.672 -1.904 1.843 1.00 0.00 O ATOM 0 H GLY A 29 9.054 -4.114 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.372 -4.213 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.509 -2.986 3.157 1.00 0.00 H new ATOM 447 N PRO A 30 7.471 -2.683 0.138 1.00 0.00 N ATOM 448 CA PRO A 30 8.082 -1.768 -0.809 1.00 0.00 C ATOM 449 C PRO A 30 7.655 -0.338 -0.464 1.00 0.00 C ATOM 450 O PRO A 30 6.463 -0.067 -0.349 1.00 0.00 O ATOM 451 CB PRO A 30 7.607 -2.228 -2.188 1.00 0.00 C ATOM 452 CG PRO A 30 6.273 -2.902 -1.883 1.00 0.00 C ATOM 453 CD PRO A 30 6.506 -3.543 -0.521 1.00 0.00 C ATOM 0 HA PRO A 30 9.172 -1.771 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.488 -1.390 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.313 -2.919 -2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.456 -2.181 -1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.016 -3.645 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.579 -3.606 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.887 -4.559 -0.623 1.00 0.00 H new ATOM 461 N ASN A 31 8.611 0.570 -0.247 1.00 0.00 N ATOM 462 CA ASN A 31 8.310 1.981 0.006 1.00 0.00 C ATOM 463 C ASN A 31 7.437 2.507 -1.143 1.00 0.00 C ATOM 464 O ASN A 31 7.847 2.430 -2.300 1.00 0.00 O ATOM 465 CB ASN A 31 9.606 2.801 0.151 1.00 0.00 C ATOM 466 CG ASN A 31 10.653 2.064 0.984 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.292 1.150 0.469 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.838 2.402 2.256 1.00 0.00 N ATOM 0 H ASN A 31 9.607 0.350 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 31 7.766 2.082 0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.013 3.016 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.379 3.760 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.521 1.899 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.297 3.164 2.665 1.00 0.00 H new ATOM 475 N LEU A 32 6.229 2.999 -0.841 1.00 0.00 N ATOM 476 CA LEU A 32 5.126 3.118 -1.799 1.00 0.00 C ATOM 477 C LEU A 32 5.249 4.356 -2.707 1.00 0.00 C ATOM 478 O LEU A 32 4.292 5.107 -2.895 1.00 0.00 O ATOM 479 CB LEU A 32 3.783 3.119 -1.041 1.00 0.00 C ATOM 480 CG LEU A 32 3.582 1.944 -0.066 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.380 2.212 0.847 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.353 0.636 -0.825 1.00 0.00 C ATOM 0 H LEU A 32 5.988 3.331 0.093 1.00 0.00 H new ATOM 0 HA LEU A 32 5.172 2.254 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.699 4.052 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.972 3.109 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 32 4.487 1.851 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.249 1.374 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.554 3.124 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.482 2.329 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.214 -0.178 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.464 0.728 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.218 0.424 -1.454 1.00 0.00 H new ATOM 494 N HIS A 33 6.422 4.561 -3.304 1.00 0.00 N ATOM 495 CA HIS A 33 6.728 5.696 -4.162 1.00 0.00 C ATOM 496 C HIS A 33 6.106 5.486 -5.545 1.00 0.00 C ATOM 497 O HIS A 33 6.804 5.252 -6.535 1.00 0.00 O ATOM 498 CB HIS A 33 8.250 5.859 -4.208 1.00 0.00 C ATOM 499 CG HIS A 33 8.747 6.977 -5.092 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.074 6.846 -6.421 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.054 8.257 -4.714 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.585 8.018 -6.833 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.606 8.902 -5.825 1.00 0.00 N ATOM 0 H HIS A 33 7.208 3.919 -3.198 1.00 0.00 H new ATOM 0 HA HIS A 33 6.299 6.618 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.613 6.030 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.690 4.923 -4.551 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.951 6.009 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.898 8.689 -3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.931 8.220 -7.836 1.00 0.00 H new ATOM 511 N GLY A 34 4.779 5.570 -5.616 1.00 0.00 N ATOM 512 CA GLY A 34 4.076 5.503 -6.880 1.00 0.00 C ATOM 513 C GLY A 34 2.601 5.209 -6.684 1.00 0.00 C ATOM 514 O GLY A 34 1.786 6.120 -6.687 1.00 0.00 O ATOM 0 H GLY A 34 4.173 5.685 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.192 6.447 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.522 4.729 -7.504 1.00 0.00 H new ATOM 518 N LEU A 35 2.256 3.930 -6.536 1.00 0.00 N ATOM 519 CA LEU A 35 0.883 3.468 -6.481 1.00 0.00 C ATOM 520 C LEU A 35 0.091 3.939 -7.707 1.00 0.00 C ATOM 521 O LEU A 35 0.234 3.363 -8.782 1.00 0.00 O ATOM 522 CB LEU A 35 0.250 3.891 -5.150 1.00 0.00 C ATOM 523 CG LEU A 35 0.956 3.299 -3.928 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.291 3.884 -2.679 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.874 1.770 -3.931 1.00 0.00 C ATOM 0 H LEU A 35 2.940 3.178 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 35 0.861 2.379 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.265 4.979 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.796 3.585 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 35 2.015 3.555 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.772 3.481 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.393 4.969 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.766 3.619 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.384 1.377 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.171 1.462 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.351 1.382 -4.831 1.00 0.00 H new ATOM 537 N PHE A 36 -0.718 4.986 -7.551 1.00 0.00 N ATOM 538 CA PHE A 36 -1.599 5.561 -8.552 1.00 0.00 C ATOM 539 C PHE A 36 -0.867 5.765 -9.876 1.00 0.00 C ATOM 540 O PHE A 36 -0.049 6.674 -10.000 1.00 0.00 O ATOM 541 CB PHE A 36 -2.160 6.878 -7.994 1.00 0.00 C ATOM 542 CG PHE A 36 -2.945 6.685 -6.706 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.279 6.248 -6.774 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.294 6.722 -5.457 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.936 5.815 -5.612 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.940 6.239 -4.306 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.271 5.803 -4.379 1.00 0.00 C ATOM 0 H PHE A 36 -0.775 5.483 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.424 4.881 -8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.338 7.570 -7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.805 7.339 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.799 6.245 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.294 7.123 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.964 5.488 -5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.411 6.204 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.780 5.460 -3.490 1.00 0.00 H new ATOM 557 N GLY A 37 -1.147 4.916 -10.869 1.00 0.00 N ATOM 558 CA GLY A 37 -0.524 5.055 -12.189 1.00 0.00 C ATOM 559 C GLY A 37 0.793 4.280 -12.333 1.00 0.00 C ATOM 560 O GLY A 37 1.243 4.026 -13.452 1.00 0.00 O ATOM 0 H GLY A 37 -1.795 4.132 -10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.224 4.709 -12.950 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.337 6.111 -12.384 1.00 0.00 H new ATOM 564 N ARG A 38 1.420 3.891 -11.221 1.00 0.00 N ATOM 565 CA ARG A 38 2.638 3.105 -11.193 1.00 0.00 C ATOM 566 C ARG A 38 2.243 1.643 -11.414 1.00 0.00 C ATOM 567 O ARG A 38 1.541 1.058 -10.591 1.00 0.00 O ATOM 568 CB ARG A 38 3.325 3.300 -9.829 1.00 0.00 C ATOM 569 CG ARG A 38 4.858 3.356 -9.924 1.00 0.00 C ATOM 570 CD ARG A 38 5.406 4.797 -9.991 1.00 0.00 C ATOM 571 NE ARG A 38 6.022 5.126 -11.285 1.00 0.00 N ATOM 572 CZ ARG A 38 6.480 6.350 -11.602 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.364 7.357 -10.728 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.055 6.560 -12.791 1.00 0.00 N ATOM 0 H ARG A 38 1.077 4.126 -10.290 1.00 0.00 H new ATOM 0 HA ARG A 38 3.339 3.413 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.962 4.222 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.038 2.484 -9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.289 2.849 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.182 2.809 -10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.593 5.497 -9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.143 4.935 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 38 6.107 4.385 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.928 7.197 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.712 8.285 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.146 5.792 -13.456 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.403 7.488 -13.033 1.00 0.00 H new ATOM 588 N LYS A 39 2.666 1.043 -12.528 1.00 0.00 N ATOM 589 CA LYS A 39 2.413 -0.369 -12.756 1.00 0.00 C ATOM 590 C LYS A 39 3.208 -1.181 -11.729 1.00 0.00 C ATOM 591 O LYS A 39 4.424 -1.014 -11.654 1.00 0.00 O ATOM 592 CB LYS A 39 2.796 -0.784 -14.182 1.00 0.00 C ATOM 593 CG LYS A 39 1.958 -0.134 -15.294 1.00 0.00 C ATOM 594 CD LYS A 39 2.431 1.283 -15.653 1.00 0.00 C ATOM 595 CE LYS A 39 1.960 1.662 -17.065 1.00 0.00 C ATOM 596 NZ LYS A 39 2.430 3.005 -17.463 1.00 0.00 N ATOM 0 H LYS A 39 3.179 1.512 -13.275 1.00 0.00 H new ATOM 0 HA LYS A 39 1.347 -0.563 -12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.845 -0.537 -14.347 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.706 -1.867 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.998 -0.761 -16.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.915 -0.094 -14.979 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.041 1.998 -14.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.518 1.335 -15.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.325 0.924 -17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.871 1.633 -17.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.090 3.222 -18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.061 3.713 -16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.470 3.027 -17.451 1.00 0.00 H new ATOM 610 N THR A 40 2.551 -2.042 -10.943 1.00 0.00 N ATOM 611 CA THR A 40 3.274 -2.984 -10.098 1.00 0.00 C ATOM 612 C THR A 40 3.675 -4.224 -10.911 1.00 0.00 C ATOM 613 O THR A 40 3.737 -4.205 -12.138 1.00 0.00 O ATOM 614 CB THR A 40 2.483 -3.317 -8.832 1.00 0.00 C ATOM 615 OG1 THR A 40 3.315 -4.036 -7.938 1.00 0.00 O ATOM 616 CG2 THR A 40 1.210 -4.121 -9.107 1.00 0.00 C ATOM 0 H THR A 40 1.535 -2.102 -10.878 1.00 0.00 H new ATOM 0 HA THR A 40 4.197 -2.519 -9.753 1.00 0.00 H new ATOM 0 HB THR A 40 2.166 -2.370 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.380 -3.550 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.697 -4.323 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.553 -3.550 -9.763 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.472 -5.064 -9.587 1.00 0.00 H new ATOM 624 N GLY A 41 3.908 -5.322 -10.196 1.00 0.00 N ATOM 625 CA GLY A 41 4.187 -6.643 -10.711 1.00 0.00 C ATOM 626 C GLY A 41 5.597 -6.768 -11.291 1.00 0.00 C ATOM 627 O GLY A 41 5.874 -7.719 -12.013 1.00 0.00 O ATOM 0 H GLY A 41 3.905 -5.302 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.062 -7.373 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.458 -6.888 -11.484 1.00 0.00 H new ATOM 631 N GLN A 42 6.489 -5.825 -10.958 1.00 0.00 N ATOM 632 CA GLN A 42 7.844 -5.721 -11.482 1.00 0.00 C ATOM 633 C GLN A 42 8.565 -4.599 -10.722 1.00 0.00 C ATOM 634 O GLN A 42 8.344 -3.427 -11.016 1.00 0.00 O ATOM 635 CB GLN A 42 7.802 -5.421 -12.996 1.00 0.00 C ATOM 636 CG GLN A 42 8.226 -6.623 -13.854 1.00 0.00 C ATOM 637 CD GLN A 42 7.874 -6.421 -15.325 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.240 -7.269 -15.944 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.281 -5.295 -15.906 1.00 0.00 N ATOM 0 H GLN A 42 6.270 -5.087 -10.288 1.00 0.00 H new ATOM 0 HA GLN A 42 8.380 -6.660 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.792 -5.120 -13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.457 -4.577 -13.213 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.300 -6.779 -13.755 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.738 -7.524 -13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.807 -4.605 -15.369 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.067 -5.122 -16.888 1.00 0.00 H new ATOM 648 N ALA A 43 9.427 -4.949 -9.762 1.00 0.00 N ATOM 649 CA ALA A 43 10.349 -4.016 -9.110 1.00 0.00 C ATOM 650 C ALA A 43 11.795 -4.410 -9.421 1.00 0.00 C ATOM 651 O ALA A 43 12.086 -5.604 -9.520 1.00 0.00 O ATOM 652 CB ALA A 43 10.147 -4.019 -7.592 1.00 0.00 C ATOM 0 H ALA A 43 9.504 -5.904 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 43 10.144 -3.016 -9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.843 -3.318 -7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.125 -3.720 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.329 -5.021 -7.203 1.00 0.00 H new ATOM 658 N PRO A 44 12.725 -3.449 -9.533 1.00 0.00 N ATOM 659 CA PRO A 44 14.138 -3.734 -9.728 1.00 0.00 C ATOM 660 C PRO A 44 14.758 -4.244 -8.420 1.00 0.00 C ATOM 661 O PRO A 44 15.539 -3.544 -7.779 1.00 0.00 O ATOM 662 CB PRO A 44 14.741 -2.407 -10.204 1.00 0.00 C ATOM 663 CG PRO A 44 13.871 -1.363 -9.502 1.00 0.00 C ATOM 664 CD PRO A 44 12.487 -2.013 -9.506 1.00 0.00 C ATOM 0 HA PRO A 44 14.326 -4.521 -10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.789 -2.315 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.694 -2.308 -11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.220 -1.162 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.872 -0.412 -10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.918 -1.727 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.908 -1.696 -10.374 1.00 0.00 H new ATOM 672 N GLY A 45 14.409 -5.472 -8.025 1.00 0.00 N ATOM 673 CA GLY A 45 14.984 -6.158 -6.877 1.00 0.00 C ATOM 674 C GLY A 45 13.897 -6.891 -6.098 1.00 0.00 C ATOM 675 O GLY A 45 13.489 -7.987 -6.477 1.00 0.00 O ATOM 0 H GLY A 45 13.702 -6.025 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.742 -6.867 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.484 -5.439 -6.228 1.00 0.00 H new ATOM 679 N PHE A 46 13.411 -6.284 -5.009 1.00 0.00 N ATOM 680 CA PHE A 46 12.398 -6.890 -4.153 1.00 0.00 C ATOM 681 C PHE A 46 11.045 -6.761 -4.844 1.00 0.00 C ATOM 682 O PHE A 46 10.188 -5.987 -4.427 1.00 0.00 O ATOM 683 CB PHE A 46 12.419 -6.241 -2.758 1.00 0.00 C ATOM 684 CG PHE A 46 11.273 -6.594 -1.813 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.830 -7.924 -1.654 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.560 -5.555 -1.187 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.686 -8.195 -0.877 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.474 -5.843 -0.346 1.00 0.00 C ATOM 689 CZ PHE A 46 9.026 -7.160 -0.201 1.00 0.00 C ATOM 0 H PHE A 46 13.712 -5.359 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 46 12.604 -7.949 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.356 -6.513 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.430 -5.159 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.367 -8.733 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.851 -4.528 -1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.316 -9.207 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.983 -5.045 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.176 -7.378 0.429 1.00 0.00 H new ATOM 699 N THR A 47 10.824 -7.553 -5.892 1.00 0.00 N ATOM 700 CA THR A 47 9.552 -7.573 -6.599 1.00 0.00 C ATOM 701 C THR A 47 8.513 -8.436 -5.875 1.00 0.00 C ATOM 702 O THR A 47 7.669 -9.060 -6.516 1.00 0.00 O ATOM 703 CB THR A 47 9.775 -7.896 -8.080 1.00 0.00 C ATOM 704 OG1 THR A 47 8.658 -7.485 -8.849 1.00 0.00 O ATOM 705 CG2 THR A 47 10.144 -9.356 -8.336 1.00 0.00 C ATOM 0 H THR A 47 11.520 -8.195 -6.271 1.00 0.00 H new ATOM 0 HA THR A 47 9.105 -6.579 -6.588 1.00 0.00 H new ATOM 0 HB THR A 47 10.645 -7.324 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.835 -7.816 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.287 -9.513 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.066 -9.596 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.342 -10.002 -7.978 1.00 0.00 H new ATOM 713 N TYR A 48 8.522 -8.370 -4.537 1.00 0.00 N ATOM 714 CA TYR A 48 7.503 -8.909 -3.655 1.00 0.00 C ATOM 715 C TYR A 48 7.300 -10.425 -3.803 1.00 0.00 C ATOM 716 O TYR A 48 8.011 -11.095 -4.552 1.00 0.00 O ATOM 717 CB TYR A 48 6.208 -8.085 -3.750 1.00 0.00 C ATOM 718 CG TYR A 48 6.154 -6.954 -4.752 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.917 -5.793 -4.545 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.449 -7.123 -5.954 1.00 0.00 C ATOM 721 CE1 TYR A 48 7.021 -4.834 -5.567 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.490 -6.128 -6.938 1.00 0.00 C ATOM 723 CZ TYR A 48 6.273 -4.982 -6.745 1.00 0.00 C ATOM 724 OH TYR A 48 6.362 -4.062 -7.743 1.00 0.00 O ATOM 0 H TYR A 48 9.279 -7.916 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 48 7.866 -8.803 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.392 -8.771 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.006 -7.666 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.422 -5.638 -3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.874 -8.022 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.676 -3.984 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.918 -6.244 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 48 5.462 -3.826 -8.051 1.00 0.00 H new ATOM 734 N THR A 49 6.350 -10.989 -3.053 1.00 0.00 N ATOM 735 CA THR A 49 5.912 -12.361 -3.294 1.00 0.00 C ATOM 736 C THR A 49 5.284 -12.449 -4.684 1.00 0.00 C ATOM 737 O THR A 49 4.652 -11.492 -5.127 1.00 0.00 O ATOM 738 CB THR A 49 4.894 -12.837 -2.245 1.00 0.00 C ATOM 739 OG1 THR A 49 3.690 -12.100 -2.313 1.00 0.00 O ATOM 740 CG2 THR A 49 5.464 -12.813 -0.828 1.00 0.00 C ATOM 0 H THR A 49 5.875 -10.520 -2.282 1.00 0.00 H new ATOM 0 HA THR A 49 6.786 -13.008 -3.223 1.00 0.00 H new ATOM 0 HB THR A 49 4.669 -13.876 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.707 -11.383 -1.645 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.706 -13.158 -0.125 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.334 -13.468 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.760 -11.796 -0.572 1.00 0.00 H new ATOM 748 N ASP A 50 5.394 -13.604 -5.351 1.00 0.00 N ATOM 749 CA ASP A 50 4.762 -13.848 -6.645 1.00 0.00 C ATOM 750 C ASP A 50 3.269 -13.534 -6.631 1.00 0.00 C ATOM 751 O ASP A 50 2.732 -13.088 -7.633 1.00 0.00 O ATOM 752 CB ASP A 50 5.031 -15.277 -7.118 1.00 0.00 C ATOM 753 CG ASP A 50 4.604 -15.419 -8.572 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.350 -14.896 -9.431 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.538 -16.019 -8.808 1.00 0.00 O ATOM 0 H ASP A 50 5.929 -14.399 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 50 5.214 -13.162 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.090 -15.512 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.484 -15.986 -6.496 1.00 0.00 H new ATOM 760 N ALA A 51 2.590 -13.683 -5.495 1.00 0.00 N ATOM 761 CA ALA A 51 1.187 -13.312 -5.392 1.00 0.00 C ATOM 762 C ALA A 51 0.957 -11.830 -5.722 1.00 0.00 C ATOM 763 O ALA A 51 -0.046 -11.488 -6.351 1.00 0.00 O ATOM 764 CB ALA A 51 0.673 -13.693 -4.002 1.00 0.00 C ATOM 0 H ALA A 51 2.992 -14.058 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 51 0.614 -13.864 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.378 -13.419 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.781 -14.768 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.250 -13.164 -3.243 1.00 0.00 H new ATOM 770 N ASN A 52 1.887 -10.954 -5.333 1.00 0.00 N ATOM 771 CA ASN A 52 1.845 -9.539 -5.682 1.00 0.00 C ATOM 772 C ASN A 52 2.518 -9.301 -7.036 1.00 0.00 C ATOM 773 O ASN A 52 2.014 -8.521 -7.841 1.00 0.00 O ATOM 774 CB ASN A 52 2.487 -8.699 -4.572 1.00 0.00 C ATOM 775 CG ASN A 52 1.515 -8.346 -3.448 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.082 -9.217 -2.705 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.175 -7.066 -3.287 1.00 0.00 N ATOM 0 H ASN A 52 2.693 -11.212 -4.764 1.00 0.00 H new ATOM 0 HA ASN A 52 0.805 -9.226 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.333 -9.245 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.883 -7.780 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.543 -6.797 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.548 -6.356 -3.918 1.00 0.00 H new ATOM 784 N LYS A 53 3.639 -9.976 -7.322 1.00 0.00 N ATOM 785 CA LYS A 53 4.346 -9.839 -8.592 1.00 0.00 C ATOM 786 C LYS A 53 3.376 -10.126 -9.739 1.00 0.00 C ATOM 787 O LYS A 53 3.352 -9.452 -10.762 1.00 0.00 O ATOM 788 CB LYS A 53 5.513 -10.825 -8.676 1.00 0.00 C ATOM 789 CG LYS A 53 6.509 -10.470 -9.792 1.00 0.00 C ATOM 790 CD LYS A 53 6.980 -11.749 -10.499 1.00 0.00 C ATOM 791 CE LYS A 53 5.919 -12.225 -11.511 1.00 0.00 C ATOM 792 NZ LYS A 53 5.933 -13.690 -11.695 1.00 0.00 N ATOM 0 H LYS A 53 4.078 -10.632 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 53 4.736 -8.824 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.036 -10.845 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.124 -11.829 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.039 -9.799 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.364 -9.940 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.923 -11.562 -11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.167 -12.531 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.931 -11.914 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.093 -11.739 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.052 -13.990 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.745 -13.958 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.013 -14.156 -10.768 1.00 0.00 H new ATOM 806 N ASN A 54 2.574 -11.170 -9.550 1.00 0.00 N ATOM 807 CA ASN A 54 1.634 -11.672 -10.523 1.00 0.00 C ATOM 808 C ASN A 54 0.480 -10.681 -10.743 1.00 0.00 C ATOM 809 O ASN A 54 -0.286 -10.826 -11.689 1.00 0.00 O ATOM 810 CB ASN A 54 1.097 -13.035 -10.067 1.00 0.00 C ATOM 811 CG ASN A 54 0.174 -13.674 -11.101 1.00 0.00 C ATOM 812 OD1 ASN A 54 0.514 -13.757 -12.276 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.991 -14.152 -10.672 1.00 0.00 N ATOM 0 H ASN A 54 2.568 -11.703 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 54 2.151 -11.792 -11.475 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.934 -13.704 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.557 -12.914 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.630 -14.603 -11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.246 -14.068 -9.688 1.00 0.00 H new ATOM 820 N LYS A 55 0.310 -9.700 -9.845 1.00 0.00 N ATOM 821 CA LYS A 55 -0.868 -8.841 -9.842 1.00 0.00 C ATOM 822 C LYS A 55 -0.868 -7.934 -11.077 1.00 0.00 C ATOM 823 O LYS A 55 -1.896 -7.789 -11.733 1.00 0.00 O ATOM 824 CB LYS A 55 -0.925 -8.032 -8.535 1.00 0.00 C ATOM 825 CG LYS A 55 -2.342 -7.563 -8.169 1.00 0.00 C ATOM 826 CD LYS A 55 -3.156 -8.627 -7.412 1.00 0.00 C ATOM 827 CE LYS A 55 -4.431 -9.069 -8.146 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.189 -10.093 -7.389 1.00 0.00 N ATOM 0 H LYS A 55 0.983 -9.486 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.766 -9.457 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.531 -8.641 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.275 -7.162 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.273 -6.664 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.874 -7.288 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.526 -9.499 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.429 -8.234 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.068 -8.201 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.165 -9.467 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.082 -10.298 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.624 -10.963 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.394 -9.737 -6.434 1.00 0.00 H new ATOM 842 N GLY A 56 0.279 -7.307 -11.369 1.00 0.00 N ATOM 843 CA GLY A 56 0.492 -6.484 -12.559 1.00 0.00 C ATOM 844 C GLY A 56 -0.585 -5.415 -12.778 1.00 0.00 C ATOM 845 O GLY A 56 -0.975 -5.146 -13.912 1.00 0.00 O ATOM 0 H GLY A 56 1.102 -7.361 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.464 -5.996 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.530 -7.132 -13.435 1.00 0.00 H new ATOM 849 N ILE A 57 -1.053 -4.792 -11.694 1.00 0.00 N ATOM 850 CA ILE A 57 -2.040 -3.720 -11.728 1.00 0.00 C ATOM 851 C ILE A 57 -1.345 -2.360 -11.753 1.00 0.00 C ATOM 852 O ILE A 57 -0.134 -2.286 -11.921 1.00 0.00 O ATOM 853 CB ILE A 57 -2.992 -3.844 -10.529 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.239 -3.963 -9.198 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.958 -5.009 -10.783 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.126 -3.591 -8.013 1.00 0.00 C ATOM 0 H ILE A 57 -0.747 -5.027 -10.750 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.633 -3.806 -12.639 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.575 -2.928 -10.434 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.876 -4.983 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.364 -3.314 -9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.640 -5.107 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.530 -4.816 -11.690 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.391 -5.932 -10.901 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.557 -3.688 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.467 -2.562 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.988 -4.258 -7.980 1.00 0.00 H new ATOM 868 N THR A 58 -2.111 -1.279 -11.588 1.00 0.00 N ATOM 869 CA THR A 58 -1.647 0.096 -11.637 1.00 0.00 C ATOM 870 C THR A 58 -2.086 0.854 -10.368 1.00 0.00 C ATOM 871 O THR A 58 -2.307 2.063 -10.411 1.00 0.00 O ATOM 872 CB THR A 58 -2.197 0.659 -12.956 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.872 -0.243 -14.000 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.636 2.022 -13.324 1.00 0.00 C ATOM 0 H THR A 58 -3.113 -1.349 -11.409 1.00 0.00 H new ATOM 0 HA THR A 58 -0.562 0.196 -11.635 1.00 0.00 H new ATOM 0 HB THR A 58 -3.272 0.778 -12.821 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.218 0.102 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.072 2.352 -14.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.880 2.739 -12.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.553 1.954 -13.429 1.00 0.00 H new ATOM 882 N TRP A 59 -2.223 0.105 -9.258 1.00 0.00 N ATOM 883 CA TRP A 59 -2.562 0.565 -7.911 1.00 0.00 C ATOM 884 C TRP A 59 -3.388 1.848 -7.893 1.00 0.00 C ATOM 885 O TRP A 59 -2.939 2.886 -7.418 1.00 0.00 O ATOM 886 CB TRP A 59 -1.286 0.673 -7.079 1.00 0.00 C ATOM 887 CG TRP A 59 -0.718 -0.630 -6.628 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.534 -1.053 -6.881 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.336 -1.670 -5.810 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.710 -2.313 -6.356 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.417 -2.755 -5.690 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.576 -1.803 -5.145 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.727 -3.924 -4.975 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.880 -2.954 -4.396 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.966 -4.017 -4.316 1.00 0.00 C ATOM 0 H TRP A 59 -2.089 -0.906 -9.288 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.217 -0.179 -7.458 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.531 1.198 -7.664 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.493 1.286 -6.202 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.286 -0.490 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.569 -2.855 -6.448 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.303 -1.007 -5.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.022 -4.741 -4.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.825 -3.021 -3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.214 -4.903 -3.750 1.00 0.00 H new ATOM 906 N LYS A 60 -4.613 1.744 -8.402 1.00 0.00 N ATOM 907 CA LYS A 60 -5.530 2.863 -8.500 1.00 0.00 C ATOM 908 C LYS A 60 -6.428 2.884 -7.256 1.00 0.00 C ATOM 909 O LYS A 60 -6.403 1.953 -6.440 1.00 0.00 O ATOM 910 CB LYS A 60 -6.359 2.723 -9.786 1.00 0.00 C ATOM 911 CG LYS A 60 -7.004 1.333 -9.913 1.00 0.00 C ATOM 912 CD LYS A 60 -8.186 1.337 -10.885 1.00 0.00 C ATOM 913 CE LYS A 60 -7.811 1.362 -12.369 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.718 -0.003 -12.922 1.00 0.00 N ATOM 0 H LYS A 60 -4.995 0.869 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.984 3.805 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.138 3.486 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.720 2.905 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.257 0.616 -10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.342 0.999 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.794 0.453 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.809 2.205 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.556 1.932 -12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.857 1.874 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.462 0.047 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.990 -0.538 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.636 -0.482 -12.821 1.00 0.00 H new ATOM 928 N GLU A 61 -7.304 3.886 -7.165 1.00 0.00 N ATOM 929 CA GLU A 61 -8.274 4.090 -6.080 1.00 0.00 C ATOM 930 C GLU A 61 -9.463 3.113 -6.147 1.00 0.00 C ATOM 931 O GLU A 61 -10.601 3.481 -5.868 1.00 0.00 O ATOM 932 CB GLU A 61 -8.734 5.563 -6.031 1.00 0.00 C ATOM 933 CG GLU A 61 -9.055 6.177 -7.403 1.00 0.00 C ATOM 934 CD GLU A 61 -7.831 6.815 -8.043 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.104 6.062 -8.730 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.620 8.018 -7.781 1.00 0.00 O ATOM 0 H GLU A 61 -7.362 4.613 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.763 3.864 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.620 5.633 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.955 6.158 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.448 5.404 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.838 6.927 -7.290 1.00 0.00 H new ATOM 943 N GLU A 62 -9.179 1.849 -6.455 1.00 0.00 N ATOM 944 CA GLU A 62 -10.123 0.743 -6.485 1.00 0.00 C ATOM 945 C GLU A 62 -9.387 -0.477 -5.938 1.00 0.00 C ATOM 946 O GLU A 62 -9.790 -1.095 -4.952 1.00 0.00 O ATOM 947 CB GLU A 62 -10.616 0.484 -7.921 1.00 0.00 C ATOM 948 CG GLU A 62 -11.109 1.749 -8.638 1.00 0.00 C ATOM 949 CD GLU A 62 -11.743 1.420 -9.988 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.064 0.730 -10.784 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.889 1.859 -10.206 1.00 0.00 O ATOM 0 H GLU A 62 -8.233 1.558 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.004 0.968 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.806 0.040 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.425 -0.246 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.836 2.264 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.274 2.433 -8.785 1.00 0.00 H new ATOM 958 N THR A 63 -8.251 -0.788 -6.562 1.00 0.00 N ATOM 959 CA THR A 63 -7.422 -1.906 -6.184 1.00 0.00 C ATOM 960 C THR A 63 -6.809 -1.651 -4.812 1.00 0.00 C ATOM 961 O THR A 63 -6.758 -2.567 -3.996 1.00 0.00 O ATOM 962 CB THR A 63 -6.382 -2.162 -7.280 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.746 -0.963 -7.689 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.055 -2.765 -8.517 1.00 0.00 C ATOM 0 H THR A 63 -7.886 -0.257 -7.353 1.00 0.00 H new ATOM 0 HA THR A 63 -8.016 -2.816 -6.093 1.00 0.00 H new ATOM 0 HB THR A 63 -5.644 -2.845 -6.860 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.088 -1.163 -8.387 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.306 -2.942 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.530 -3.709 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.808 -2.074 -8.895 1.00 0.00 H new ATOM 972 N LEU A 64 -6.400 -0.409 -4.523 1.00 0.00 N ATOM 973 CA LEU A 64 -5.994 -0.065 -3.171 1.00 0.00 C ATOM 974 C LEU A 64 -7.122 -0.319 -2.173 1.00 0.00 C ATOM 975 O LEU A 64 -6.869 -0.877 -1.114 1.00 0.00 O ATOM 976 CB LEU A 64 -5.523 1.393 -3.093 1.00 0.00 C ATOM 977 CG LEU A 64 -3.989 1.496 -3.047 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.450 2.000 -4.381 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.542 2.429 -1.923 1.00 0.00 C ATOM 0 H LEU A 64 -6.345 0.354 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.157 -0.710 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.899 1.943 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.946 1.865 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.589 0.500 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.363 2.067 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.735 1.308 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.865 2.985 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.454 2.487 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.956 3.423 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.897 2.043 -0.967 1.00 0.00 H new ATOM 991 N MET A 65 -8.354 0.092 -2.480 1.00 0.00 N ATOM 992 CA MET A 65 -9.472 -0.106 -1.574 1.00 0.00 C ATOM 993 C MET A 65 -9.673 -1.591 -1.274 1.00 0.00 C ATOM 994 O MET A 65 -9.681 -1.982 -0.107 1.00 0.00 O ATOM 995 CB MET A 65 -10.739 0.545 -2.140 1.00 0.00 C ATOM 996 CG MET A 65 -10.546 2.061 -2.227 1.00 0.00 C ATOM 997 SD MET A 65 -11.994 3.048 -1.789 1.00 0.00 S ATOM 998 CE MET A 65 -11.129 4.390 -0.959 1.00 0.00 C ATOM 0 H MET A 65 -8.596 0.564 -3.351 1.00 0.00 H new ATOM 0 HA MET A 65 -9.248 0.383 -0.626 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.958 0.139 -3.128 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.593 0.313 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.722 2.344 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.247 2.315 -3.244 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.852 5.124 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.569 3.993 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.441 4.867 -1.658 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.826 -2.409 -2.320 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.068 -3.839 -2.151 1.00 0.00 C ATOM 1010 C GLU A 66 -8.924 -4.480 -1.352 1.00 0.00 C ATOM 1011 O GLU A 66 -9.156 -5.211 -0.388 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.275 -4.494 -3.527 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.757 -5.956 -3.452 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.123 -6.145 -2.790 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.948 -5.215 -2.917 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.324 -7.227 -2.190 1.00 0.00 O ATOM 0 H GLU A 66 -9.786 -2.102 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.980 -3.999 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.002 -3.910 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.337 -4.458 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.799 -6.363 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.018 -6.540 -2.903 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.677 -4.180 -1.732 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.500 -4.704 -1.055 1.00 0.00 C ATOM 1025 C TYR A 67 -6.507 -4.311 0.413 1.00 0.00 C ATOM 1026 O TYR A 67 -6.562 -5.179 1.270 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.244 -4.190 -1.755 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.930 -4.759 -1.250 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.723 -6.150 -1.169 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.859 -3.890 -0.985 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.455 -6.668 -0.863 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.598 -4.412 -0.672 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.383 -5.796 -0.630 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.130 -6.287 -0.429 1.00 0.00 O ATOM 0 H TYR A 67 -7.462 -3.567 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.511 -5.793 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.328 -4.409 -2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.212 -3.105 -1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.548 -6.824 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.008 -2.821 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.306 -7.736 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.780 -3.739 -0.460 1.00 0.00 H new ATOM 0 HH TYR A 67 0.220 -5.951 0.422 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.444 -3.019 0.725 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.364 -2.570 2.108 1.00 0.00 C ATOM 1046 C LEU A 68 -7.512 -3.115 2.951 1.00 0.00 C ATOM 1047 O LEU A 68 -7.294 -3.470 4.109 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.311 -1.036 2.209 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.896 -0.438 2.188 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.994 -1.116 3.225 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.248 -0.489 0.803 1.00 0.00 C ATOM 0 H LEU A 68 -6.447 -2.266 0.037 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.432 -2.970 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.882 -0.612 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.806 -0.729 3.130 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.007 0.614 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.999 -0.672 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.416 -0.977 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.925 -2.181 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.250 -0.052 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.175 -1.525 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.856 0.074 0.096 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.724 -3.178 2.395 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.838 -3.723 3.150 1.00 0.00 C ATOM 1065 C GLU A 69 -9.633 -5.216 3.419 1.00 0.00 C ATOM 1066 O GLU A 69 -9.914 -5.681 4.523 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.177 -3.438 2.458 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.315 -3.575 3.480 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.657 -3.205 2.879 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.942 -1.988 2.858 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.368 -4.115 2.413 1.00 0.00 O ATOM 0 H GLU A 69 -8.949 -2.866 1.450 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.872 -3.220 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.173 -2.434 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.328 -4.134 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.352 -4.600 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.112 -2.935 4.339 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.177 -5.978 2.418 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.190 -7.435 2.482 1.00 0.00 C ATOM 1080 C ASN A 70 -7.987 -8.040 1.743 1.00 0.00 C ATOM 1081 O ASN A 70 -8.157 -8.776 0.772 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.518 -7.903 1.864 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.135 -9.155 2.484 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -12.306 -9.438 2.233 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.411 -9.929 3.291 1.00 0.00 N ATOM 0 H ASN A 70 -8.793 -5.602 1.551 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.110 -7.771 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.239 -7.089 1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.358 -8.088 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.827 -10.763 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.441 -9.688 3.494 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.750 -7.788 2.188 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.579 -7.970 1.345 1.00 0.00 C ATOM 1094 C PRO A 71 -5.344 -9.441 1.035 1.00 0.00 C ATOM 1095 O PRO A 71 -5.071 -9.807 -0.105 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.410 -7.318 2.085 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.878 -7.259 3.538 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.406 -7.190 3.462 1.00 0.00 C ATOM 0 HA PRO A 71 -5.708 -7.499 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.497 -7.904 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.195 -6.323 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.550 -8.137 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.469 -6.387 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.866 -7.732 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.757 -6.160 3.521 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.521 -10.289 2.049 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.394 -11.730 1.917 1.00 0.00 C ATOM 1108 C LYS A 72 -6.486 -12.342 1.021 1.00 0.00 C ATOM 1109 O LYS A 72 -6.448 -13.546 0.774 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.410 -12.367 3.316 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.425 -13.542 3.381 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.702 -14.475 4.568 1.00 0.00 C ATOM 1113 CE LYS A 72 -5.896 -15.399 4.271 1.00 0.00 C ATOM 1114 NZ LYS A 72 -6.065 -16.442 5.304 1.00 0.00 N ATOM 0 H LYS A 72 -5.759 -9.985 2.993 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.445 -11.942 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.145 -11.621 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.416 -12.714 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.482 -14.112 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.408 -13.156 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.816 -15.074 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.907 -13.884 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.807 -14.804 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.754 -15.872 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.881 -17.041 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.207 -17.028 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.227 -15.993 6.228 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.477 -11.549 0.587 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.520 -11.971 -0.337 1.00 0.00 C ATOM 1130 C LYS A 73 -8.219 -11.392 -1.722 1.00 0.00 C ATOM 1131 O LYS A 73 -8.213 -12.131 -2.703 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.891 -11.538 0.202 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.026 -12.430 -0.327 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.394 -11.958 0.189 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.904 -10.740 -0.606 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.902 -9.947 0.140 1.00 0.00 N ATOM 0 H LYS A 73 -7.570 -10.576 0.880 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.543 -13.057 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.880 -11.573 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.081 -10.503 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.022 -12.419 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.855 -13.461 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.114 -12.772 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.317 -11.699 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.059 -10.102 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.345 -11.082 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.273 -9.192 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.683 -10.565 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.454 -9.525 0.978 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.936 -10.084 -1.811 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.511 -9.456 -3.058 1.00 0.00 C ATOM 1152 C TYR A 74 -6.312 -10.172 -3.689 1.00 0.00 C ATOM 1153 O TYR A 74 -6.171 -10.206 -4.919 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.153 -7.993 -2.789 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.883 -7.188 -4.047 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.881 -7.081 -5.032 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.598 -6.676 -4.307 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.579 -6.525 -6.285 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.293 -6.125 -5.560 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.280 -6.075 -6.556 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.937 -5.760 -7.832 1.00 0.00 O ATOM 0 H TYR A 74 -7.997 -9.440 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.339 -9.523 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.968 -7.525 -2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.272 -7.956 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.882 -7.428 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.842 -6.708 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.347 -6.444 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.303 -5.741 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.705 -5.905 -8.423 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.418 -10.692 -2.843 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.236 -11.446 -3.241 1.00 0.00 C ATOM 1173 C ILE A 75 -4.195 -12.782 -2.488 1.00 0.00 C ATOM 1174 O ILE A 75 -4.259 -12.782 -1.258 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.975 -10.599 -2.997 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.061 -9.371 -3.914 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.715 -11.417 -3.301 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.813 -8.491 -3.935 1.00 0.00 C ATOM 0 H ILE A 75 -5.504 -10.594 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.277 -11.674 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.916 -10.288 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.266 -9.709 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.910 -8.763 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.831 -10.804 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.685 -12.293 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.731 -11.737 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.972 -7.651 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.615 -8.116 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.960 -9.077 -4.278 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.059 -13.921 -3.193 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.013 -15.237 -2.574 1.00 0.00 C ATOM 1192 C PRO A 76 -2.662 -15.453 -1.882 1.00 0.00 C ATOM 1193 O PRO A 76 -1.814 -16.194 -2.373 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.258 -16.226 -3.720 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.636 -15.515 -4.920 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.968 -14.049 -4.644 1.00 0.00 C ATOM 0 HA PRO A 76 -4.761 -15.366 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.785 -17.189 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.321 -16.417 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.561 -15.683 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.064 -15.858 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.196 -13.392 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.907 -13.766 -5.120 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.472 -14.816 -0.726 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.298 -15.026 0.110 1.00 0.00 C ATOM 1206 C GLY A 77 -0.168 -14.071 -0.262 1.00 0.00 C ATOM 1207 O GLY A 77 0.901 -14.491 -0.699 1.00 0.00 O ATOM 0 H GLY A 77 -3.132 -14.138 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.566 -14.884 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.955 -16.055 0.005 1.00 0.00 H new ATOM 1211 N THR A 78 -0.400 -12.778 -0.037 1.00 0.00 N ATOM 1212 CA THR A 78 0.658 -11.786 0.020 1.00 0.00 C ATOM 1213 C THR A 78 1.515 -12.050 1.264 1.00 0.00 C ATOM 1214 O THR A 78 1.069 -12.698 2.211 1.00 0.00 O ATOM 1215 CB THR A 78 0.046 -10.369 0.024 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.040 -9.398 0.276 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.081 -10.178 1.047 1.00 0.00 C ATOM 0 H THR A 78 -1.333 -12.394 0.111 1.00 0.00 H new ATOM 0 HA THR A 78 1.300 -11.857 -0.858 1.00 0.00 H new ATOM 0 HB THR A 78 -0.385 -10.244 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.878 -9.669 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.458 -9.157 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.890 -10.876 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.697 -10.365 2.050 1.00 0.00 H new ATOM 1225 N LYS A 79 2.734 -11.511 1.278 1.00 0.00 N ATOM 1226 CA LYS A 79 3.527 -11.383 2.495 1.00 0.00 C ATOM 1227 C LYS A 79 2.831 -10.435 3.478 1.00 0.00 C ATOM 1228 O LYS A 79 3.076 -10.525 4.677 1.00 0.00 O ATOM 1229 CB LYS A 79 4.917 -10.810 2.171 1.00 0.00 C ATOM 1230 CG LYS A 79 6.117 -11.672 2.572 1.00 0.00 C ATOM 1231 CD LYS A 79 7.399 -10.900 2.200 1.00 0.00 C ATOM 1232 CE LYS A 79 8.566 -11.157 3.162 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.027 -12.559 3.127 1.00 0.00 N ATOM 0 H LYS A 79 3.198 -11.151 0.444 1.00 0.00 H new ATOM 0 HA LYS A 79 3.630 -12.374 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.970 -10.628 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.011 -9.842 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.095 -11.883 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.086 -12.632 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.702 -11.178 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.180 -9.832 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.396 -10.498 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.259 -10.904 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.816 -12.682 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.244 -13.189 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.346 -12.796 2.166 1.00 0.00 H new ATOM 1247 N MET A 80 2.063 -9.464 2.972 1.00 0.00 N ATOM 1248 CA MET A 80 1.516 -8.380 3.770 1.00 0.00 C ATOM 1249 C MET A 80 0.608 -8.913 4.878 1.00 0.00 C ATOM 1250 O MET A 80 -0.210 -9.809 4.671 1.00 0.00 O ATOM 1251 CB MET A 80 0.778 -7.422 2.842 1.00 0.00 C ATOM 1252 CG MET A 80 0.157 -6.187 3.493 1.00 0.00 C ATOM 1253 SD MET A 80 0.143 -4.742 2.399 1.00 0.00 S ATOM 1254 CE MET A 80 -1.529 -4.077 2.624 1.00 0.00 C ATOM 0 H MET A 80 1.806 -9.415 1.986 1.00 0.00 H new ATOM 0 HA MET A 80 2.323 -7.843 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.474 -7.089 2.072 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.013 -7.977 2.338 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.865 -6.417 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.710 -5.944 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.654 -3.190 2.003 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.262 -4.830 2.333 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.677 -3.811 3.671 1.00 0.00 H new ATOM 1264 N ILE A 81 0.771 -8.337 6.066 1.00 0.00 N ATOM 1265 CA ILE A 81 0.178 -8.794 7.310 1.00 0.00 C ATOM 1266 C ILE A 81 -0.793 -7.710 7.771 1.00 0.00 C ATOM 1267 O ILE A 81 -0.422 -6.820 8.534 1.00 0.00 O ATOM 1268 CB ILE A 81 1.296 -9.047 8.338 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.422 -9.964 7.827 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.730 -9.590 9.659 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.969 -11.377 7.444 1.00 0.00 C ATOM 0 H ILE A 81 1.346 -7.503 6.188 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.365 -9.731 7.187 1.00 0.00 H new ATOM 0 HB ILE A 81 1.748 -8.070 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.887 -9.498 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.190 -10.039 8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.545 -9.758 10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.031 -8.867 10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.212 -10.531 9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.827 -11.952 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.533 -11.868 8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.225 -11.318 6.650 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.028 -7.743 7.268 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.006 -6.705 7.565 1.00 0.00 C ATOM 1285 C PHE A 82 -4.421 -7.259 7.378 1.00 0.00 C ATOM 1286 O PHE A 82 -5.115 -6.937 6.416 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.695 -5.468 6.702 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.195 -4.165 7.284 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.595 -3.650 8.449 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.246 -3.463 6.669 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.093 -2.477 9.041 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.713 -2.267 7.237 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.171 -1.799 8.447 1.00 0.00 C ATOM 0 H PHE A 82 -2.371 -8.480 6.652 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.946 -6.387 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.616 -5.400 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.138 -5.606 5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.750 -4.158 8.889 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.693 -3.843 5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.649 -2.098 9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.491 -1.704 6.743 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.583 -0.919 8.919 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.832 -8.160 8.275 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.093 -8.889 8.177 1.00 0.00 C ATOM 1305 C ALA A 83 -7.289 -7.988 8.510 1.00 0.00 C ATOM 1306 O ALA A 83 -7.929 -8.158 9.544 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.038 -10.119 9.090 1.00 0.00 C ATOM 0 H ALA A 83 -4.287 -8.405 9.102 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.233 -9.221 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.978 -10.666 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.217 -10.766 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.880 -9.801 10.120 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.595 -7.046 7.617 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.617 -6.027 7.816 1.00 0.00 C ATOM 1315 C GLY A 84 -7.946 -4.689 8.114 1.00 0.00 C ATOM 1316 O GLY A 84 -6.749 -4.651 8.385 1.00 0.00 O ATOM 0 H GLY A 84 -7.126 -6.972 6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.241 -5.943 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.272 -6.309 8.640 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.713 -3.593 8.055 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.214 -2.245 8.240 1.00 0.00 C ATOM 1322 C ILE A 85 -8.789 -1.689 9.541 1.00 0.00 C ATOM 1323 O ILE A 85 -8.052 -1.527 10.508 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.458 -1.436 6.950 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.981 0.009 7.109 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.899 -1.462 6.410 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.351 0.548 5.821 1.00 0.00 C ATOM 0 H ILE A 85 -9.716 -3.631 7.873 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.134 -2.194 8.378 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.862 -1.951 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.823 0.640 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.254 0.064 7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.958 -0.862 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.185 -2.490 6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.576 -1.053 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.026 1.577 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.492 -0.067 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.086 0.518 5.016 1.00 0.00 H new ATOM 1339 N LYS A 86 -10.113 -1.508 9.608 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.838 -1.475 10.874 1.00 0.00 C ATOM 1341 C LYS A 86 -12.328 -1.705 10.632 1.00 0.00 C ATOM 1342 O LYS A 86 -12.955 -2.513 11.310 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.578 -0.199 11.697 1.00 0.00 C ATOM 1344 CG LYS A 86 -11.202 1.093 11.158 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.683 2.289 11.961 1.00 0.00 C ATOM 1346 CE LYS A 86 -11.323 2.467 13.342 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.565 3.453 14.142 1.00 0.00 N ATOM 0 H LYS A 86 -10.706 -1.381 8.788 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.452 -2.290 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.949 -0.362 12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.500 -0.054 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.955 1.216 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.289 1.040 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.606 2.183 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.848 3.197 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.356 2.797 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.349 1.510 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.013 3.561 15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.586 3.123 14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.562 4.370 13.651 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.886 -0.973 9.663 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.303 -1.005 9.331 1.00 0.00 C ATOM 1363 C LYS A 87 -14.544 -0.221 8.045 1.00 0.00 C ATOM 1364 O LYS A 87 -15.096 -0.749 7.087 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.134 -0.420 10.485 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.625 -0.390 10.114 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.500 -0.376 11.376 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.988 -0.163 11.055 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.526 -1.176 10.122 1.00 0.00 N ATOM 0 H LYS A 87 -12.350 -0.331 9.079 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.613 -2.039 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.989 -1.018 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.790 0.589 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.836 0.492 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.871 -1.260 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.378 -1.318 11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.158 0.415 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.562 -0.189 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.123 0.829 10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.553 -1.045 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.070 -1.069 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.334 -2.128 10.494 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.158 1.058 8.053 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.304 1.949 6.911 1.00 0.00 C ATOM 1385 C LYS A 88 -13.415 3.175 7.085 1.00 0.00 C ATOM 1386 O LYS A 88 -12.685 3.515 6.164 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.772 2.356 6.689 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.880 3.241 5.437 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.339 3.578 5.096 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.415 4.798 4.163 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.669 4.613 2.901 1.00 0.00 N ATOM 0 H LYS A 88 -13.731 1.504 8.865 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.985 1.409 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.392 1.467 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.146 2.894 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.322 4.164 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.418 2.731 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.813 2.720 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.894 3.780 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.460 5.007 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.023 5.671 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.829 5.226 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.373 3.620 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.280 4.863 2.097 1.00 0.00 H new ATOM 1405 N THR A 89 -13.487 3.847 8.241 1.00 0.00 N ATOM 1406 CA THR A 89 -12.789 5.100 8.498 1.00 0.00 C ATOM 1407 C THR A 89 -11.350 5.075 7.984 1.00 0.00 C ATOM 1408 O THR A 89 -10.969 5.925 7.180 1.00 0.00 O ATOM 1409 CB THR A 89 -12.863 5.399 10.000 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.195 5.183 10.423 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.408 6.824 10.331 1.00 0.00 C ATOM 0 H THR A 89 -14.043 3.525 9.033 1.00 0.00 H new ATOM 0 HA THR A 89 -13.278 5.904 7.947 1.00 0.00 H new ATOM 0 HB THR A 89 -12.182 4.734 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.267 5.367 11.383 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.478 6.988 11.406 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.375 6.960 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.046 7.539 9.812 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.566 4.078 8.409 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.192 3.970 7.950 1.00 0.00 C ATOM 1421 C GLU A 90 -9.123 3.776 6.433 1.00 0.00 C ATOM 1422 O GLU A 90 -8.370 4.446 5.732 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.465 2.891 8.752 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.009 3.520 10.074 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.293 2.531 10.970 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.698 1.598 10.390 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.344 2.737 12.202 1.00 0.00 O ATOM 0 H GLU A 90 -10.860 3.349 9.059 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.667 4.907 8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.125 2.044 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.609 2.511 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.347 4.360 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.876 3.921 10.600 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.007 2.936 5.898 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.159 2.697 4.468 1.00 0.00 C ATOM 1436 C ARG A 91 -10.533 3.977 3.697 1.00 0.00 C ATOM 1437 O ARG A 91 -10.596 3.937 2.472 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.175 1.553 4.235 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.857 0.666 3.017 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.703 0.973 1.770 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.921 0.144 1.709 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.817 0.128 0.710 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.768 1.041 -0.264 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.761 -0.816 0.696 1.00 0.00 N ATOM 0 H ARG A 91 -10.654 2.389 6.465 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.194 2.387 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.212 0.927 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.168 1.984 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.803 0.782 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.006 -0.378 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.982 2.027 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.104 0.803 0.875 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.099 -0.475 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.044 1.760 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.454 1.019 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.795 -1.514 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.448 -0.839 -0.058 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.775 5.102 4.385 1.00 0.00 N ATOM 1459 CA GLU A 92 -11.154 6.371 3.800 1.00 0.00 C ATOM 1460 C GLU A 92 -10.123 7.473 4.091 1.00 0.00 C ATOM 1461 O GLU A 92 -10.260 8.600 3.611 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.533 6.722 4.378 1.00 0.00 C ATOM 1463 CG GLU A 92 -13.260 7.691 3.451 1.00 0.00 C ATOM 1464 CD GLU A 92 -14.045 6.942 2.383 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.445 6.599 1.346 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -15.235 6.670 2.654 1.00 0.00 O ATOM 0 H GLU A 92 -10.706 5.142 5.402 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.193 6.294 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.124 5.815 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.419 7.168 5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.937 8.317 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.538 8.356 2.977 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.134 7.195 4.936 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.075 8.126 5.317 1.00 0.00 C ATOM 1475 C ASP A 93 -6.753 7.685 4.708 1.00 0.00 C ATOM 1476 O ASP A 93 -6.086 8.452 4.015 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.047 8.342 6.839 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.116 7.498 7.691 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.009 6.293 7.403 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -6.561 8.074 8.650 1.00 0.00 O ATOM 0 H ASP A 93 -9.044 6.286 5.389 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.279 9.114 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.797 9.388 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.060 8.189 7.211 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.428 6.412 4.883 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.232 5.806 4.325 1.00 0.00 C ATOM 1487 C LEU A 94 -5.166 6.077 2.826 1.00 0.00 C ATOM 1488 O LEU A 94 -4.172 6.576 2.296 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.255 4.295 4.611 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.369 3.874 5.789 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.937 3.901 5.297 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.445 4.719 7.064 1.00 0.00 C ATOM 0 H LEU A 94 -6.998 5.763 5.425 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.344 6.239 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.281 3.989 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.933 3.761 3.717 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.738 2.894 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.269 3.607 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.825 3.207 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.685 4.909 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.768 4.309 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.157 5.746 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.464 4.705 7.450 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.273 5.791 2.147 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.336 5.866 0.693 1.00 0.00 C ATOM 1506 C ILE A 95 -6.643 7.307 0.251 1.00 0.00 C ATOM 1507 O ILE A 95 -6.784 7.576 -0.940 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.309 4.783 0.179 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.826 3.391 0.643 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.434 4.748 -1.351 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.925 2.650 1.395 1.00 0.00 C ATOM 0 H ILE A 95 -7.147 5.502 2.587 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.374 5.641 0.232 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.286 5.035 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.514 2.805 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.953 3.502 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.133 3.964 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.800 5.711 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.458 4.545 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.556 1.674 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.218 3.227 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.788 2.519 0.742 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.676 8.257 1.194 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.711 9.671 0.883 1.00 0.00 C ATOM 1525 C ALA A 96 -5.257 10.121 0.859 1.00 0.00 C ATOM 1526 O ALA A 96 -4.778 10.595 -0.171 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.562 10.429 1.907 1.00 0.00 C ATOM 0 H ALA A 96 -6.679 8.055 2.194 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.181 9.877 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.575 11.489 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.580 10.040 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.137 10.298 2.902 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.532 9.901 1.965 1.00 0.00 N ATOM 1534 CA TYR A 97 -3.116 10.233 2.045 1.00 0.00 C ATOM 1535 C TYR A 97 -2.359 9.702 0.843 1.00 0.00 C ATOM 1536 O TYR A 97 -1.632 10.449 0.193 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.457 9.690 3.318 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.934 9.766 3.300 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.298 10.880 2.721 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.144 8.707 3.783 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.097 10.950 2.632 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.257 8.808 3.751 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.883 9.912 3.148 1.00 0.00 C ATOM 1544 OH TYR A 97 3.240 9.973 3.079 1.00 0.00 O ATOM 0 H TYR A 97 -4.913 9.491 2.818 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.066 11.322 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.830 10.249 4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.759 8.652 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.896 11.694 2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.613 7.818 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.567 11.803 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.859 8.029 4.195 1.00 0.00 H new ATOM 0 HH TYR A 97 3.508 10.799 2.624 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.483 8.410 0.558 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.643 7.829 -0.473 1.00 0.00 C ATOM 1556 C LEU A 98 -1.895 8.444 -1.850 1.00 0.00 C ATOM 1557 O LEU A 98 -1.017 8.406 -2.714 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.720 6.306 -0.429 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.228 5.788 0.934 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.384 4.273 0.988 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.223 6.178 1.251 1.00 0.00 C ATOM 0 H LEU A 98 -3.134 7.768 1.010 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.605 8.085 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.746 5.981 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.113 5.881 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.846 6.265 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.036 3.906 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.434 4.010 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.794 3.818 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.502 5.779 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.885 5.768 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.313 7.264 1.264 1.00 0.00 H new ATOM 1573 N LYS A 99 -3.050 9.096 -2.026 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.381 9.780 -3.269 1.00 0.00 C ATOM 1575 C LYS A 99 -2.572 11.073 -3.460 1.00 0.00 C ATOM 1576 O LYS A 99 -2.596 11.654 -4.542 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.901 9.999 -3.326 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.462 9.615 -4.701 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.982 9.428 -4.655 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.721 10.731 -4.328 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.183 10.545 -4.403 1.00 0.00 N ATOM 0 H LYS A 99 -3.775 9.161 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.094 9.153 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.387 9.404 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.129 11.044 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.211 10.389 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.991 8.693 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.328 9.049 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.230 8.675 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.445 11.069 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.414 11.511 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.659 11.442 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.446 10.245 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.476 9.817 -3.721 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.830 11.498 -2.430 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.828 12.554 -2.457 1.00 0.00 C ATOM 1597 C LYS A 100 0.574 12.004 -2.145 1.00 0.00 C ATOM 1598 O LYS A 100 1.553 12.611 -2.573 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.273 13.735 -1.569 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.666 13.834 -0.158 1.00 0.00 C ATOM 1601 CD LYS A 100 0.695 14.555 -0.147 1.00 0.00 C ATOM 1602 CE LYS A 100 1.005 15.155 1.232 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.272 15.915 1.224 1.00 0.00 N ATOM 0 H LYS A 100 -1.924 11.084 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.746 12.956 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.043 14.659 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.357 13.688 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.359 14.364 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.545 12.832 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.482 13.853 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.695 15.346 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.189 15.811 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.064 14.356 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.147 16.803 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.019 15.348 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.542 16.129 0.243 1.00 0.00 H new ATOM 1617 N ALA A 101 0.700 10.858 -1.453 1.00 0.00 N ATOM 1618 CA ALA A 101 1.986 10.174 -1.282 1.00 0.00 C ATOM 1619 C ALA A 101 2.631 9.891 -2.641 1.00 0.00 C ATOM 1620 O ALA A 101 3.838 10.016 -2.807 1.00 0.00 O ATOM 1621 CB ALA A 101 1.852 8.881 -0.480 1.00 0.00 C ATOM 0 H ALA A 101 -0.083 10.386 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 101 2.630 10.844 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.831 8.411 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.455 9.106 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.174 8.201 -0.996 1.00 0.00 H new ATOM 1627 N THR A 102 1.807 9.532 -3.631 1.00 0.00 N ATOM 1628 CA THR A 102 2.243 9.380 -5.018 1.00 0.00 C ATOM 1629 C THR A 102 2.937 10.624 -5.586 1.00 0.00 C ATOM 1630 O THR A 102 3.640 10.493 -6.587 1.00 0.00 O ATOM 1631 CB THR A 102 1.044 9.003 -5.909 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.414 8.912 -7.273 1.00 0.00 O ATOM 1633 CG2 THR A 102 -0.120 9.992 -5.810 1.00 0.00 C ATOM 0 H THR A 102 0.816 9.339 -3.489 1.00 0.00 H new ATOM 0 HA THR A 102 2.986 8.582 -5.018 1.00 0.00 H new ATOM 0 HB THR A 102 0.717 8.033 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.661 7.987 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.930 9.667 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.477 10.032 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.217 10.982 -6.116 1.00 0.00 H new ATOM 1641 N ASN A 103 2.635 11.812 -5.055 1.00 0.00 N ATOM 1642 CA ASN A 103 2.967 13.096 -5.664 1.00 0.00 C ATOM 1643 C ASN A 103 3.991 13.902 -4.855 1.00 0.00 C ATOM 1644 O ASN A 103 4.706 14.713 -5.440 1.00 0.00 O ATOM 1645 CB ASN A 103 1.677 13.903 -5.846 1.00 0.00 C ATOM 1646 CG ASN A 103 1.882 15.149 -6.704 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.600 15.130 -7.698 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.206 16.245 -6.363 1.00 0.00 N ATOM 0 H ASN A 103 2.141 11.906 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 103 3.436 12.895 -6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.918 13.270 -6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.296 14.198 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.281 17.088 -6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.614 16.241 -5.533 1.00 0.00 H new ATOM 1655 N GLU A 104 4.018 13.746 -3.524 1.00 0.00 N ATOM 1656 CA GLU A 104 5.014 14.424 -2.695 1.00 0.00 C ATOM 1657 C GLU A 104 6.426 13.874 -2.936 1.00 0.00 C ATOM 1658 O GLU A 104 7.374 14.586 -2.537 1.00 0.00 O ATOM 1659 CB GLU A 104 4.614 14.399 -1.211 1.00 0.00 C ATOM 1660 CG GLU A 104 4.531 12.990 -0.604 1.00 0.00 C ATOM 1661 CD GLU A 104 4.147 12.980 0.870 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.059 14.086 1.449 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.865 11.881 1.392 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.539 12.765 -3.507 1.00 0.00 O ATOM 0 H GLU A 104 3.365 13.160 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 104 5.040 15.471 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.335 14.985 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.646 14.888 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.802 12.405 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.495 12.496 -0.723 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.783 -3.041 2.691 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.628 -4.207 -0.530 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.146 -0.599 1.330 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.000 -2.026 5.882 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.812 -5.518 4.051 1.00 0.00 C HETATM 1677 NA HEC A 105 1.295 -2.521 0.744 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.762 -3.109 -0.408 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.235 -2.344 -1.518 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.383 -1.389 -0.993 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.494 -1.465 0.444 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.583 -0.485 -1.735 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.604 -2.520 -2.974 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.076 -2.249 -3.300 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.259 -1.975 -4.784 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.192 -2.962 -5.547 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.401 -0.787 -5.143 1.00 0.00 O HETATM 1688 NB HEC A 105 0.651 -1.585 3.466 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.042 -0.692 2.724 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.638 0.242 3.646 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.390 -0.201 4.929 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.477 -1.338 4.800 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.215 1.560 3.238 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.035 0.245 6.232 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.557 0.281 6.131 1.00 0.00 C HETATM 1696 NC HEC A 105 2.282 -3.677 4.612 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.855 -3.087 5.748 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.472 -3.744 6.865 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.373 -4.639 6.344 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.151 -4.670 4.917 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.243 -3.392 8.313 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.579 -5.220 7.048 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.256 -6.412 7.949 1.00 0.00 C HETATM 1704 ND HEC A 105 2.991 -4.597 1.902 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.720 -5.454 2.667 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.453 -6.317 1.779 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.146 -5.947 0.496 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.188 -4.864 0.572 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.458 -7.367 2.166 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.743 -6.575 -0.737 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.819 -7.624 -1.363 1.00 0.00 C HETATM 1712 CGD HEC A 105 4.245 -9.059 -1.066 1.00 0.00 C HETATM 1713 O1D HEC A 105 5.466 -9.327 -1.077 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.344 -9.897 -0.866 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.282 -6.900 2.705 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.981 -8.110 2.805 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.840 -7.853 1.268 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.539 -2.357 8.487 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.187 -3.513 8.554 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.837 -4.051 8.946 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.440 2.168 2.772 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.025 1.398 2.527 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.601 2.076 4.117 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 -0.031 0.136 -2.441 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.308 -1.093 -2.276 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.105 0.153 -1.022 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.805 -7.470 -0.995 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.792 -7.476 -2.443 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.550 -6.104 8.720 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.816 -7.211 7.352 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.172 -6.772 8.418 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.853 0.979 5.348 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.929 -0.715 5.890 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.977 0.605 7.083 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.430 -1.396 -2.722 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.682 -3.106 -3.007 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.956 -5.798 -1.471 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.695 -7.040 -0.480 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.361 -3.539 -3.275 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.985 -1.854 -3.575 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.449 -6.290 4.483 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.718 -1.708 6.886 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.763 0.197 0.914 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.876 -4.565 -1.529 1.00 0.00 H new HETATM 0 H2A HEC A 105 2.654 -0.529 -5.722 1.00 0.00 H new