USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=32 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 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -167:sc= -0.23 USER MOD Set 1.2: A 80 MET CE :methyl 176:sc=-0.000767 (180deg=-0.0241) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -3.7! C(o=-7.2!,f=-8.8!) USER MOD Set 2.2: A 56 ASN :FLIP amide:sc= -3.49! C(o=-15!,f=-7.2!) USER MOD Set 3.1: A 19 THR OG1 : rot -44:sc= 1.37 USER MOD Set 3.2: A 27 LYS NZ :NH3+ -148:sc= -5.09! (180deg=-4.67!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.0717 (180deg=-0.527) USER MOD Single : A 8 THR OG1 : rot -54:sc= 0.634 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -148:sc= -0.112 (180deg=-0.92) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0245 (180deg=-0.342) USER MOD Single : A 12 THR OG1 : rot -94:sc= -0.337 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.749 F(o=-3.1!,f=-0.75) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.01 K(o=-1,f=-8.4!) USER MOD Single : A 31 ASN :FLIP amide:sc= -2.23! C(o=-3.3!,f=-2.2!) USER MOD Single : A 33 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-7.2!) USER MOD Single : A 40 SER OG : rot 131:sc= -0.011! USER MOD Single : A 42 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.8!) USER MOD Single : A 46 TYR OH : rot -1:sc= 0.229 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 90:sc= -3.08! USER MOD Single : A 49 THR OG1 : rot 131:sc= -1.12 USER MOD Single : A 52 ASN :FLIP amide:sc= -5.78! C(o=-7.1!,f=-5.8!) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -1.79 (180deg=-3.84!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00811 K(o=-0.0081,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.2!) USER MOD Single : A 64 MET CE :methyl -147:sc= -0.143 (180deg=-2.23) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 70 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.5!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -1.59! C(o=-4!,f=-1.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 151:sc= -1.02! USER MOD Single : A 78 THR OG1 : rot -110:sc= -0.0861 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.332 (180deg=-0.945) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00281 K(o=-0.0028,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.854 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.327 (180deg=-0.539) USER MOD Single : A 102 THR OG1 : rot -137:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 15.122 -8.681 -6.696 1.00 0.00 N ATOM 2 CA THR A -5 15.044 -7.307 -7.269 1.00 0.00 C ATOM 3 C THR A -5 15.230 -6.277 -6.153 1.00 0.00 C ATOM 4 O THR A -5 15.633 -6.604 -5.054 1.00 0.00 O ATOM 5 CB THR A -5 13.677 -7.105 -7.927 1.00 0.00 C ATOM 6 OG1 THR A -5 12.672 -7.064 -6.923 1.00 0.00 O ATOM 7 CG2 THR A -5 13.395 -8.261 -8.888 1.00 0.00 C ATOM 0 H1 THR A -5 15.531 -9.328 -7.400 1.00 0.00 H new ATOM 0 H2 THR A -5 15.722 -8.669 -5.847 1.00 0.00 H new ATOM 0 H3 THR A -5 14.167 -9.005 -6.441 1.00 0.00 H new ATOM 0 HA THR A -5 15.829 -7.180 -8.015 1.00 0.00 H new ATOM 0 HB THR A -5 13.675 -6.167 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A -5 11.796 -6.933 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A -5 12.421 -8.116 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A -5 14.166 -8.291 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A -5 13.396 -9.201 -8.336 1.00 0.00 H new ATOM 17 N GLU A -4 14.939 -5.035 -6.425 1.00 0.00 N ATOM 18 CA GLU A -4 15.100 -3.986 -5.379 1.00 0.00 C ATOM 19 C GLU A -4 14.250 -4.347 -4.159 1.00 0.00 C ATOM 20 O GLU A -4 14.617 -4.078 -3.032 1.00 0.00 O ATOM 21 CB GLU A -4 14.645 -2.635 -5.936 1.00 0.00 C ATOM 22 CG GLU A -4 14.939 -1.536 -4.914 1.00 0.00 C ATOM 23 CD GLU A -4 14.392 -0.201 -5.427 1.00 0.00 C ATOM 24 OE1 GLU A -4 13.810 -0.195 -6.500 1.00 0.00 O ATOM 25 OE2 GLU A -4 14.565 0.790 -4.739 1.00 0.00 O ATOM 0 H GLU A -4 14.597 -4.701 -7.326 1.00 0.00 H new ATOM 0 HA GLU A -4 16.148 -3.924 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A -4 15.162 -2.423 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A -4 13.579 -2.662 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A -4 14.482 -1.784 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A -4 16.013 -1.460 -4.745 1.00 0.00 H new ATOM 32 N PHE A -3 13.116 -4.956 -4.374 1.00 0.00 N ATOM 33 CA PHE A -3 12.242 -5.334 -3.228 1.00 0.00 C ATOM 34 C PHE A -3 12.395 -6.827 -2.936 1.00 0.00 C ATOM 35 O PHE A -3 12.219 -7.660 -3.803 1.00 0.00 O ATOM 36 CB PHE A -3 10.785 -5.027 -3.581 1.00 0.00 C ATOM 37 CG PHE A -3 9.859 -5.878 -2.741 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.119 -6.077 -1.379 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.734 -6.469 -3.330 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.256 -6.867 -0.609 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.871 -7.257 -2.561 1.00 0.00 C ATOM 42 CZ PHE A -3 8.132 -7.456 -1.201 1.00 0.00 C ATOM 0 H PHE A -3 12.757 -5.208 -5.295 1.00 0.00 H new ATOM 0 HA PHE A -3 12.532 -4.764 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.576 -3.971 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.610 -5.220 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.985 -5.621 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.532 -6.316 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.457 -7.022 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.004 -7.711 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.466 -8.064 -0.607 1.00 0.00 H new ATOM 52 N LYS A -2 12.714 -7.169 -1.716 1.00 0.00 N ATOM 53 CA LYS A -2 12.874 -8.603 -1.354 1.00 0.00 C ATOM 54 C LYS A -2 11.757 -9.002 -0.389 1.00 0.00 C ATOM 55 O LYS A -2 11.393 -8.253 0.495 1.00 0.00 O ATOM 56 CB LYS A -2 14.231 -8.813 -0.680 1.00 0.00 C ATOM 57 CG LYS A -2 15.350 -8.496 -1.674 1.00 0.00 C ATOM 58 CD LYS A -2 16.704 -8.820 -1.039 1.00 0.00 C ATOM 59 CE LYS A -2 17.827 -8.390 -1.984 1.00 0.00 C ATOM 60 NZ LYS A -2 18.940 -9.379 -1.917 1.00 0.00 N ATOM 0 H LYS A -2 12.871 -6.511 -0.952 1.00 0.00 H new ATOM 0 HA LYS A -2 12.821 -9.217 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.317 -8.171 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.320 -9.842 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.216 -9.077 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.312 -7.444 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.802 -8.305 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.775 -9.888 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A -2 17.451 -8.319 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A -2 18.189 -7.400 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 19.704 -9.086 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 19.305 -9.426 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.589 -10.316 -2.200 1.00 0.00 H new ATOM 74 N ALA A -1 11.209 -10.174 -0.549 1.00 0.00 N ATOM 75 CA ALA A -1 10.116 -10.610 0.361 1.00 0.00 C ATOM 76 C ALA A -1 10.706 -11.016 1.712 1.00 0.00 C ATOM 77 O ALA A -1 11.170 -12.125 1.891 1.00 0.00 O ATOM 78 CB ALA A -1 9.381 -11.799 -0.256 1.00 0.00 C ATOM 0 H ALA A -1 11.471 -10.847 -1.269 1.00 0.00 H new ATOM 0 HA ALA A -1 9.415 -9.788 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.580 -12.118 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.958 -11.506 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.080 -12.622 -0.403 1.00 0.00 H new ATOM 84 N GLY A 1 10.687 -10.127 2.665 1.00 0.00 N ATOM 85 CA GLY A 1 11.241 -10.460 4.008 1.00 0.00 C ATOM 86 C GLY A 1 10.222 -11.294 4.783 1.00 0.00 C ATOM 87 O GLY A 1 9.875 -12.388 4.383 1.00 0.00 O ATOM 0 H GLY A 1 10.312 -9.183 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.175 -11.012 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.472 -9.546 4.556 1.00 0.00 H new ATOM 91 N SER A 2 9.735 -10.783 5.883 1.00 0.00 N ATOM 92 CA SER A 2 8.731 -11.546 6.681 1.00 0.00 C ATOM 93 C SER A 2 7.465 -10.702 6.840 1.00 0.00 C ATOM 94 O SER A 2 7.519 -9.554 7.233 1.00 0.00 O ATOM 95 CB SER A 2 9.310 -11.862 8.061 1.00 0.00 C ATOM 96 OG SER A 2 8.399 -12.686 8.774 1.00 0.00 O ATOM 0 H SER A 2 9.989 -9.871 6.263 1.00 0.00 H new ATOM 0 HA SER A 2 8.488 -12.477 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.271 -12.366 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.492 -10.939 8.612 1.00 0.00 H new ATOM 0 HG SER A 2 8.768 -12.892 9.658 1.00 0.00 H new ATOM 102 N ALA A 3 6.327 -11.262 6.540 1.00 0.00 N ATOM 103 CA ALA A 3 5.058 -10.494 6.676 1.00 0.00 C ATOM 104 C ALA A 3 4.769 -10.241 8.157 1.00 0.00 C ATOM 105 O ALA A 3 4.192 -9.236 8.524 1.00 0.00 O ATOM 106 CB ALA A 3 3.909 -11.295 6.061 1.00 0.00 C ATOM 0 H ALA A 3 6.220 -12.220 6.206 1.00 0.00 H new ATOM 0 HA ALA A 3 5.154 -9.540 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.980 -10.733 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.114 -11.474 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.813 -12.250 6.578 1.00 0.00 H new ATOM 112 N LYS A 4 5.157 -11.149 9.008 1.00 0.00 N ATOM 113 CA LYS A 4 4.898 -10.970 10.462 1.00 0.00 C ATOM 114 C LYS A 4 5.569 -9.689 10.941 1.00 0.00 C ATOM 115 O LYS A 4 4.973 -8.869 11.609 1.00 0.00 O ATOM 116 CB LYS A 4 5.498 -12.151 11.217 1.00 0.00 C ATOM 117 CG LYS A 4 4.965 -13.450 10.623 1.00 0.00 C ATOM 118 CD LYS A 4 5.538 -14.642 11.393 1.00 0.00 C ATOM 119 CE LYS A 4 4.997 -14.641 12.824 1.00 0.00 C ATOM 120 NZ LYS A 4 4.617 -16.029 13.212 1.00 0.00 N ATOM 0 H LYS A 4 5.644 -12.010 8.758 1.00 0.00 H new ATOM 0 HA LYS A 4 3.824 -10.912 10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.586 -12.126 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.242 -12.089 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.876 -13.463 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.239 -13.519 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.270 -15.573 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.627 -14.589 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.751 -14.254 13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.132 -13.982 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.249 -16.029 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.884 -16.382 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.453 -16.646 13.158 1.00 0.00 H new ATOM 134 N LYS A 5 6.812 -9.520 10.605 1.00 0.00 N ATOM 135 CA LYS A 5 7.543 -8.298 11.036 1.00 0.00 C ATOM 136 C LYS A 5 6.858 -7.059 10.458 1.00 0.00 C ATOM 137 O LYS A 5 6.623 -6.089 11.151 1.00 0.00 O ATOM 138 CB LYS A 5 8.983 -8.370 10.530 1.00 0.00 C ATOM 139 CG LYS A 5 9.699 -9.549 11.191 1.00 0.00 C ATOM 140 CD LYS A 5 11.171 -9.552 10.775 1.00 0.00 C ATOM 141 CE LYS A 5 11.858 -10.801 11.330 1.00 0.00 C ATOM 142 NZ LYS A 5 11.733 -10.818 12.815 1.00 0.00 N ATOM 0 H LYS A 5 7.358 -10.177 10.048 1.00 0.00 H new ATOM 0 HA LYS A 5 7.540 -8.235 12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.993 -8.486 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.506 -7.441 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.617 -9.476 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.226 -10.486 10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.252 -9.532 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.667 -8.656 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.405 -11.697 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.909 -10.809 11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.413 -11.497 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.932 -9.869 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.767 -11.100 13.079 1.00 0.00 H new ATOM 156 N GLY A 6 6.527 -7.083 9.195 1.00 0.00 N ATOM 157 CA GLY A 6 5.849 -5.903 8.588 1.00 0.00 C ATOM 158 C GLY A 6 4.454 -5.762 9.191 1.00 0.00 C ATOM 159 O GLY A 6 3.942 -4.673 9.346 1.00 0.00 O ATOM 0 H GLY A 6 6.696 -7.864 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.431 -5.000 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.781 -6.024 7.507 1.00 0.00 H new ATOM 163 N ALA A 7 3.832 -6.858 9.537 1.00 0.00 N ATOM 164 CA ALA A 7 2.471 -6.777 10.134 1.00 0.00 C ATOM 165 C ALA A 7 2.531 -5.875 11.363 1.00 0.00 C ATOM 166 O ALA A 7 1.670 -5.047 11.583 1.00 0.00 O ATOM 167 CB ALA A 7 2.004 -8.175 10.545 1.00 0.00 C ATOM 0 H ALA A 7 4.207 -7.801 9.432 1.00 0.00 H new ATOM 0 HA ALA A 7 1.770 -6.369 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.007 -8.112 10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.976 -8.822 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.696 -8.589 11.279 1.00 0.00 H new ATOM 173 N THR A 8 3.557 -6.012 12.153 1.00 0.00 N ATOM 174 CA THR A 8 3.691 -5.145 13.350 1.00 0.00 C ATOM 175 C THR A 8 3.870 -3.709 12.872 1.00 0.00 C ATOM 176 O THR A 8 3.258 -2.785 13.368 1.00 0.00 O ATOM 177 CB THR A 8 4.929 -5.574 14.134 1.00 0.00 C ATOM 178 OG1 THR A 8 6.090 -5.321 13.354 1.00 0.00 O ATOM 179 CG2 THR A 8 4.842 -7.065 14.451 1.00 0.00 C ATOM 0 H THR A 8 4.309 -6.688 12.020 1.00 0.00 H new ATOM 0 HA THR A 8 2.811 -5.226 13.987 1.00 0.00 H new ATOM 0 HB THR A 8 4.985 -5.010 15.065 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.997 -5.752 12.479 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.726 -7.370 15.011 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.950 -7.259 15.047 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.787 -7.632 13.522 1.00 0.00 H new ATOM 187 N LEU A 9 4.703 -3.536 11.890 1.00 0.00 N ATOM 188 CA LEU A 9 4.945 -2.182 11.327 1.00 0.00 C ATOM 189 C LEU A 9 3.639 -1.627 10.759 1.00 0.00 C ATOM 190 O LEU A 9 3.308 -0.472 10.937 1.00 0.00 O ATOM 191 CB LEU A 9 5.971 -2.308 10.206 1.00 0.00 C ATOM 192 CG LEU A 9 7.299 -2.817 10.775 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.337 -2.865 9.659 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.793 -1.872 11.874 1.00 0.00 C ATOM 0 H LEU A 9 5.234 -4.285 11.447 1.00 0.00 H new ATOM 0 HA LEU A 9 5.312 -1.510 12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.606 -2.993 9.441 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.118 -1.341 9.724 1.00 0.00 H new ATOM 0 HG LEU A 9 7.151 -3.813 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.284 -3.227 10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.995 -3.537 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.475 -1.865 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.738 -2.241 12.274 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.939 -0.875 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.054 -1.826 12.674 1.00 0.00 H new ATOM 206 N PHE A 10 2.897 -2.451 10.075 1.00 0.00 N ATOM 207 CA PHE A 10 1.606 -1.999 9.484 1.00 0.00 C ATOM 208 C PHE A 10 0.622 -1.675 10.611 1.00 0.00 C ATOM 209 O PHE A 10 0.057 -0.598 10.672 1.00 0.00 O ATOM 210 CB PHE A 10 1.046 -3.137 8.623 1.00 0.00 C ATOM 211 CG PHE A 10 -0.151 -2.668 7.832 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.431 -2.720 8.397 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.018 -2.192 6.527 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.542 -2.294 7.656 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.091 -1.769 5.785 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.372 -1.819 6.350 1.00 0.00 C ATOM 0 H PHE A 10 3.131 -3.428 9.898 1.00 0.00 H new ATOM 0 HA PHE A 10 1.757 -1.108 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.818 -3.499 7.944 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.762 -3.975 9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.562 -3.088 9.404 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.006 -2.151 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.529 -2.332 8.093 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.959 -1.404 4.777 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.228 -1.491 5.778 1.00 0.00 H new ATOM 226 N LYS A 11 0.419 -2.602 11.508 1.00 0.00 N ATOM 227 CA LYS A 11 -0.518 -2.364 12.637 1.00 0.00 C ATOM 228 C LYS A 11 -0.014 -1.196 13.485 1.00 0.00 C ATOM 229 O LYS A 11 -0.783 -0.439 14.042 1.00 0.00 O ATOM 230 CB LYS A 11 -0.604 -3.625 13.496 1.00 0.00 C ATOM 231 CG LYS A 11 -1.248 -4.752 12.687 1.00 0.00 C ATOM 232 CD LYS A 11 -1.434 -5.980 13.580 1.00 0.00 C ATOM 233 CE LYS A 11 -1.977 -7.141 12.745 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.338 -6.798 12.244 1.00 0.00 N ATOM 0 H LYS A 11 0.866 -3.519 11.505 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.506 -2.122 12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.392 -3.922 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.190 -3.427 14.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.211 -4.427 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.622 -5.003 11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.484 -6.259 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.122 -5.750 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.310 -7.344 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.017 -8.049 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.815 -7.662 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.892 -6.367 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.258 -6.126 11.455 1.00 0.00 H new ATOM 248 N THR A 12 1.273 -1.049 13.596 1.00 0.00 N ATOM 249 CA THR A 12 1.821 0.066 14.413 1.00 0.00 C ATOM 250 C THR A 12 1.837 1.357 13.595 1.00 0.00 C ATOM 251 O THR A 12 2.058 2.428 14.123 1.00 0.00 O ATOM 252 CB THR A 12 3.247 -0.277 14.853 1.00 0.00 C ATOM 253 OG1 THR A 12 4.074 -0.416 13.705 1.00 0.00 O ATOM 254 CG2 THR A 12 3.242 -1.586 15.643 1.00 0.00 C ATOM 0 H THR A 12 1.969 -1.651 13.157 1.00 0.00 H new ATOM 0 HA THR A 12 1.190 0.208 15.290 1.00 0.00 H new ATOM 0 HB THR A 12 3.633 0.522 15.486 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.110 -1.359 13.440 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.258 -1.827 15.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.609 -1.477 16.524 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.855 -2.389 15.015 1.00 0.00 H new ATOM 262 N ARG A 13 1.619 1.278 12.307 1.00 0.00 N ATOM 263 CA ARG A 13 1.646 2.523 11.488 1.00 0.00 C ATOM 264 C ARG A 13 0.757 2.398 10.247 1.00 0.00 C ATOM 265 O ARG A 13 1.186 2.684 9.148 1.00 0.00 O ATOM 266 CB ARG A 13 3.082 2.798 11.035 1.00 0.00 C ATOM 267 CG ARG A 13 3.949 3.158 12.244 1.00 0.00 C ATOM 268 CD ARG A 13 5.322 3.630 11.763 1.00 0.00 C ATOM 269 NE ARG A 13 6.230 3.794 12.934 1.00 0.00 N ATOM 270 CZ ARG A 13 6.697 2.742 13.549 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.372 1.547 13.139 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.491 2.886 14.576 1.00 0.00 N ATOM 0 H ARG A 13 1.426 0.417 11.794 1.00 0.00 H new ATOM 0 HA ARG A 13 1.270 3.339 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.489 1.920 10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.095 3.613 10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.468 3.941 12.830 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.058 2.293 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.742 2.908 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.227 4.575 11.228 1.00 0.00 H new ATOM 0 HE ARG A 13 6.486 4.728 13.254 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.752 1.434 12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.738 0.726 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.746 3.820 14.897 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.856 2.064 15.057 1.00 0.00 H new ATOM 286 N CYS A 14 -0.472 1.989 10.395 1.00 0.00 N ATOM 287 CA CYS A 14 -1.347 1.877 9.192 1.00 0.00 C ATOM 288 C CYS A 14 -2.815 1.739 9.610 1.00 0.00 C ATOM 289 O CYS A 14 -3.714 1.905 8.809 1.00 0.00 O ATOM 290 CB CYS A 14 -0.925 0.647 8.388 1.00 0.00 C ATOM 291 SG CYS A 14 -1.112 0.972 6.613 1.00 0.00 S ATOM 0 H CYS A 14 -0.905 1.731 11.282 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.242 2.776 8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.111 0.393 8.613 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.533 -0.211 8.675 1.00 0.00 H new ATOM 296 N LEU A 15 -3.068 1.427 10.850 1.00 0.00 N ATOM 297 CA LEU A 15 -4.481 1.268 11.308 1.00 0.00 C ATOM 298 C LEU A 15 -5.218 2.606 11.239 1.00 0.00 C ATOM 299 O LEU A 15 -6.416 2.657 11.038 1.00 0.00 O ATOM 300 CB LEU A 15 -4.492 0.767 12.753 1.00 0.00 C ATOM 301 CG LEU A 15 -3.605 -0.470 12.868 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.736 -1.068 14.269 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.030 -1.505 11.826 1.00 0.00 C ATOM 0 H LEU A 15 -2.359 1.275 11.568 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.982 0.551 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.134 1.548 13.423 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.510 0.527 13.059 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.567 -0.187 12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.102 -1.951 14.348 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.426 -0.331 15.010 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.774 -1.349 14.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.396 -2.387 11.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.069 -1.788 11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.929 -1.079 10.828 1.00 0.00 H new ATOM 315 N GLN A 16 -4.519 3.686 11.430 1.00 0.00 N ATOM 316 CA GLN A 16 -5.179 5.023 11.406 1.00 0.00 C ATOM 317 C GLN A 16 -5.830 5.292 10.045 1.00 0.00 C ATOM 318 O GLN A 16 -6.301 6.383 9.792 1.00 0.00 O ATOM 319 CB GLN A 16 -4.130 6.100 11.679 1.00 0.00 C ATOM 320 CG GLN A 16 -3.124 6.129 10.527 1.00 0.00 C ATOM 321 CD GLN A 16 -1.957 7.048 10.895 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.469 7.856 9.995 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 -1.484 7.029 12.014 1.00 0.00 N flip ATOM 0 H GLN A 16 -3.514 3.703 11.603 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.956 5.041 12.171 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.610 7.073 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.618 5.895 12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.759 5.123 10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.607 6.483 9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.865 6.397 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.706 7.645 12.249 1.00 0.00 H new ATOM 332 N CYS A 17 -5.865 4.331 9.161 1.00 0.00 N ATOM 333 CA CYS A 17 -6.495 4.597 7.834 1.00 0.00 C ATOM 334 C CYS A 17 -6.989 3.297 7.188 1.00 0.00 C ATOM 335 O CYS A 17 -8.135 2.919 7.333 1.00 0.00 O ATOM 336 CB CYS A 17 -5.470 5.266 6.915 1.00 0.00 C ATOM 337 SG CYS A 17 -5.157 6.956 7.491 1.00 0.00 S ATOM 0 H CYS A 17 -5.493 3.391 9.295 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.353 5.253 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.542 4.694 6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.840 5.282 5.890 1.00 0.00 H new ATOM 342 N HIS A 18 -6.144 2.626 6.452 1.00 0.00 N ATOM 343 CA HIS A 18 -6.580 1.366 5.771 1.00 0.00 C ATOM 344 C HIS A 18 -7.211 0.400 6.775 1.00 0.00 C ATOM 345 O HIS A 18 -8.166 -0.286 6.466 1.00 0.00 O ATOM 346 CB HIS A 18 -5.378 0.693 5.103 1.00 0.00 C ATOM 347 CG HIS A 18 -4.877 1.565 3.989 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.390 1.493 2.699 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.916 2.541 3.955 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.739 2.404 1.951 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.837 3.063 2.674 1.00 0.00 N ATOM 0 H HIS A 18 -5.173 2.893 6.291 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.323 1.623 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.587 0.527 5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.663 -0.285 4.715 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.126 0.864 2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.314 2.854 4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.925 2.577 0.901 1.00 0.00 H new ATOM 359 N THR A 19 -6.693 0.328 7.967 1.00 0.00 N ATOM 360 CA THR A 19 -7.279 -0.608 8.967 1.00 0.00 C ATOM 361 C THR A 19 -7.549 -1.958 8.300 1.00 0.00 C ATOM 362 O THR A 19 -8.681 -2.353 8.110 1.00 0.00 O ATOM 363 CB THR A 19 -8.591 -0.029 9.500 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.414 1.349 9.792 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.001 -0.773 10.772 1.00 0.00 C ATOM 0 H THR A 19 -5.894 0.872 8.292 1.00 0.00 H new ATOM 0 HA THR A 19 -6.581 -0.743 9.793 1.00 0.00 H new ATOM 0 HB THR A 19 -9.371 -0.145 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.564 1.477 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.936 -0.359 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.137 -1.831 10.547 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.223 -0.660 11.527 1.00 0.00 H new ATOM 373 N VAL A 20 -6.512 -2.667 7.940 1.00 0.00 N ATOM 374 CA VAL A 20 -6.698 -3.989 7.285 1.00 0.00 C ATOM 375 C VAL A 20 -7.223 -4.995 8.311 1.00 0.00 C ATOM 376 O VAL A 20 -6.637 -6.034 8.539 1.00 0.00 O ATOM 377 CB VAL A 20 -5.358 -4.467 6.729 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.475 -5.922 6.270 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.965 -3.592 5.538 1.00 0.00 C ATOM 0 H VAL A 20 -5.541 -2.384 8.073 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.417 -3.900 6.470 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.599 -4.395 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.516 -6.257 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.758 -6.549 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.235 -5.998 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.009 -3.930 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.729 -3.667 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.877 -2.555 5.862 1.00 0.00 H new ATOM 389 N GLU A 21 -8.326 -4.688 8.932 1.00 0.00 N ATOM 390 CA GLU A 21 -8.898 -5.618 9.944 1.00 0.00 C ATOM 391 C GLU A 21 -9.679 -6.715 9.212 1.00 0.00 C ATOM 392 O GLU A 21 -10.551 -7.349 9.766 1.00 0.00 O ATOM 393 CB GLU A 21 -9.834 -4.839 10.875 1.00 0.00 C ATOM 394 CG GLU A 21 -10.101 -5.648 12.149 1.00 0.00 C ATOM 395 CD GLU A 21 -11.102 -4.898 13.029 1.00 0.00 C ATOM 396 OE1 GLU A 21 -11.543 -3.837 12.618 1.00 0.00 O ATOM 397 OE2 GLU A 21 -11.411 -5.396 14.099 1.00 0.00 O ATOM 0 H GLU A 21 -8.858 -3.831 8.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.103 -6.069 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.388 -3.878 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.774 -4.628 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.493 -6.632 11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.170 -5.807 12.693 1.00 0.00 H new ATOM 404 N LYS A 22 -9.369 -6.930 7.959 1.00 0.00 N ATOM 405 CA LYS A 22 -10.083 -7.977 7.169 1.00 0.00 C ATOM 406 C LYS A 22 -11.556 -7.603 7.035 1.00 0.00 C ATOM 407 O LYS A 22 -12.433 -8.287 7.528 1.00 0.00 O ATOM 408 CB LYS A 22 -9.949 -9.338 7.850 1.00 0.00 C ATOM 409 CG LYS A 22 -8.478 -9.598 8.172 1.00 0.00 C ATOM 410 CD LYS A 22 -7.648 -9.582 6.885 1.00 0.00 C ATOM 411 CE LYS A 22 -6.280 -10.206 7.157 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.256 -11.601 6.633 1.00 0.00 N ATOM 0 H LYS A 22 -8.648 -6.422 7.447 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.636 -8.039 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.543 -9.360 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.335 -10.123 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.109 -8.839 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.371 -10.561 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.163 -10.136 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.529 -8.559 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.498 -9.614 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.074 -10.205 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.325 -12.025 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.993 -12.162 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.434 -11.590 5.608 1.00 0.00 H new ATOM 426 N GLY A 23 -11.836 -6.516 6.369 1.00 0.00 N ATOM 427 CA GLY A 23 -13.253 -6.086 6.197 1.00 0.00 C ATOM 428 C GLY A 23 -13.556 -4.913 7.132 1.00 0.00 C ATOM 429 O GLY A 23 -14.685 -4.483 7.254 1.00 0.00 O ATOM 0 H GLY A 23 -11.143 -5.906 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.431 -5.793 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.924 -6.918 6.413 1.00 0.00 H new ATOM 433 N GLY A 24 -12.558 -4.386 7.789 1.00 0.00 N ATOM 434 CA GLY A 24 -12.799 -3.237 8.707 1.00 0.00 C ATOM 435 C GLY A 24 -13.217 -2.013 7.885 1.00 0.00 C ATOM 436 O GLY A 24 -12.960 -1.944 6.700 1.00 0.00 O ATOM 0 H GLY A 24 -11.590 -4.701 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.577 -3.489 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.896 -3.016 9.277 1.00 0.00 H new ATOM 440 N PRO A 25 -13.855 -1.051 8.504 1.00 0.00 N ATOM 441 CA PRO A 25 -14.306 0.184 7.803 1.00 0.00 C ATOM 442 C PRO A 25 -13.209 0.766 6.904 1.00 0.00 C ATOM 443 O PRO A 25 -12.064 0.875 7.295 1.00 0.00 O ATOM 444 CB PRO A 25 -14.630 1.154 8.940 1.00 0.00 C ATOM 445 CG PRO A 25 -14.934 0.303 10.130 1.00 0.00 C ATOM 446 CD PRO A 25 -14.218 -1.036 9.932 1.00 0.00 C ATOM 0 HA PRO A 25 -15.152 -0.010 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.788 1.818 9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.481 1.786 8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.594 0.788 11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.009 0.152 10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.335 -1.112 10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.867 -1.875 10.186 1.00 0.00 H new ATOM 454 N HIS A 26 -13.552 1.136 5.700 1.00 0.00 N ATOM 455 CA HIS A 26 -12.534 1.705 4.772 1.00 0.00 C ATOM 456 C HIS A 26 -11.912 2.970 5.368 1.00 0.00 C ATOM 457 O HIS A 26 -10.742 3.228 5.199 1.00 0.00 O ATOM 458 CB HIS A 26 -13.193 2.055 3.436 1.00 0.00 C ATOM 459 CG HIS A 26 -13.499 0.791 2.680 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.498 -0.031 2.184 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.685 0.197 2.323 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.093 -1.065 1.561 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.422 -0.972 1.617 1.00 0.00 N ATOM 0 H HIS A 26 -14.496 1.068 5.318 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.753 0.961 4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.110 2.619 3.608 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.532 2.692 2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.669 0.578 2.555 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.560 -1.870 1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.103 -1.622 1.224 1.00 0.00 H new ATOM 472 N LYS A 27 -12.684 3.768 6.048 1.00 0.00 N ATOM 473 CA LYS A 27 -12.127 5.023 6.631 1.00 0.00 C ATOM 474 C LYS A 27 -11.536 5.883 5.505 1.00 0.00 C ATOM 475 O LYS A 27 -12.005 5.858 4.385 1.00 0.00 O ATOM 476 CB LYS A 27 -11.038 4.695 7.661 1.00 0.00 C ATOM 477 CG LYS A 27 -11.640 3.851 8.786 1.00 0.00 C ATOM 478 CD LYS A 27 -10.596 3.651 9.887 1.00 0.00 C ATOM 479 CE LYS A 27 -11.153 2.711 10.959 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.073 1.798 11.429 1.00 0.00 N ATOM 0 H LYS A 27 -13.675 3.608 6.226 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.925 5.571 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.221 4.154 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.617 5.615 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.523 4.344 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.964 2.886 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.682 3.235 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.333 4.611 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.545 3.289 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.983 2.132 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.485 0.881 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.380 1.658 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.599 2.217 12.254 1.00 0.00 H new ATOM 494 N VAL A 28 -10.527 6.659 5.798 1.00 0.00 N ATOM 495 CA VAL A 28 -9.926 7.538 4.749 1.00 0.00 C ATOM 496 C VAL A 28 -9.261 6.713 3.639 1.00 0.00 C ATOM 497 O VAL A 28 -9.410 7.011 2.472 1.00 0.00 O ATOM 498 CB VAL A 28 -8.875 8.444 5.391 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.121 9.206 4.300 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.563 9.443 6.323 1.00 0.00 C ATOM 0 H VAL A 28 -10.092 6.723 6.718 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.726 8.131 4.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.173 7.836 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.372 9.852 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.630 8.497 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.823 9.814 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.814 10.089 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.265 10.050 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.101 8.903 7.102 1.00 0.00 H new ATOM 510 N GLY A 29 -8.511 5.698 3.984 1.00 0.00 N ATOM 511 CA GLY A 29 -7.826 4.892 2.927 1.00 0.00 C ATOM 512 C GLY A 29 -8.564 3.567 2.706 1.00 0.00 C ATOM 513 O GLY A 29 -9.191 3.045 3.599 1.00 0.00 O ATOM 0 H GLY A 29 -8.344 5.394 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.791 5.456 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.794 4.697 3.220 1.00 0.00 H new ATOM 517 N PRO A 30 -8.482 3.023 1.517 1.00 0.00 N ATOM 518 CA PRO A 30 -9.154 1.737 1.177 1.00 0.00 C ATOM 519 C PRO A 30 -8.757 0.602 2.124 1.00 0.00 C ATOM 520 O PRO A 30 -7.680 0.594 2.686 1.00 0.00 O ATOM 521 CB PRO A 30 -8.688 1.413 -0.248 1.00 0.00 C ATOM 522 CG PRO A 30 -7.613 2.396 -0.587 1.00 0.00 C ATOM 523 CD PRO A 30 -7.744 3.573 0.376 1.00 0.00 C ATOM 0 HA PRO A 30 -10.236 1.833 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.311 0.392 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.517 1.489 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.630 1.935 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.713 2.732 -1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.767 3.951 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.280 4.404 -0.082 1.00 0.00 H new ATOM 531 N ASN A 31 -9.619 -0.363 2.294 1.00 0.00 N ATOM 532 CA ASN A 31 -9.291 -1.504 3.191 1.00 0.00 C ATOM 533 C ASN A 31 -7.921 -2.055 2.802 1.00 0.00 C ATOM 534 O ASN A 31 -7.251 -2.699 3.585 1.00 0.00 O ATOM 535 CB ASN A 31 -10.348 -2.600 3.036 1.00 0.00 C ATOM 536 CG ASN A 31 -10.222 -3.600 4.186 1.00 0.00 C ATOM 537 OD1 ASN A 31 -10.787 -4.771 4.083 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 -9.601 -3.312 5.191 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.536 -0.409 1.850 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.276 -1.169 4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.345 -2.160 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.220 -3.110 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.159 -2.396 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.522 -3.986 5.953 1.00 0.00 H new ATOM 545 N LEU A 32 -7.506 -1.807 1.589 1.00 0.00 N ATOM 546 CA LEU A 32 -6.184 -2.307 1.119 1.00 0.00 C ATOM 547 C LEU A 32 -6.218 -3.831 1.062 1.00 0.00 C ATOM 548 O LEU A 32 -5.324 -4.507 1.531 1.00 0.00 O ATOM 549 CB LEU A 32 -5.083 -1.832 2.082 1.00 0.00 C ATOM 550 CG LEU A 32 -3.706 -1.914 1.412 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.683 -1.047 0.159 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.645 -1.386 2.373 1.00 0.00 C ATOM 0 H LEU A 32 -8.033 -1.274 0.897 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.971 -1.917 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.282 -0.806 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.092 -2.445 2.983 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.505 -2.953 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.701 -1.111 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.443 -1.397 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.889 -0.011 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.665 -1.443 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.866 -0.349 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.645 -1.988 3.281 1.00 0.00 H new ATOM 564 N HIS A 33 -7.255 -4.370 0.483 1.00 0.00 N ATOM 565 CA HIS A 33 -7.378 -5.847 0.377 1.00 0.00 C ATOM 566 C HIS A 33 -7.720 -6.228 -1.065 1.00 0.00 C ATOM 567 O HIS A 33 -7.749 -7.391 -1.418 1.00 0.00 O ATOM 568 CB HIS A 33 -8.493 -6.323 1.307 1.00 0.00 C ATOM 569 CG HIS A 33 -7.932 -7.289 2.309 1.00 0.00 C ATOM 570 ND1 HIS A 33 -7.025 -6.901 3.284 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.138 -8.631 2.496 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.720 -7.992 4.011 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.372 -9.070 3.571 1.00 0.00 N ATOM 0 H HIS A 33 -8.028 -3.844 0.076 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.436 -6.316 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.942 -5.472 1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.284 -6.801 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.793 -9.251 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.034 -7.995 4.845 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.320 -10.018 3.945 1.00 0.00 H new ATOM 582 N GLY A 34 -7.996 -5.257 -1.898 1.00 0.00 N ATOM 583 CA GLY A 34 -8.354 -5.565 -3.317 1.00 0.00 C ATOM 584 C GLY A 34 -7.505 -4.732 -4.284 1.00 0.00 C ATOM 585 O GLY A 34 -7.725 -4.748 -5.479 1.00 0.00 O ATOM 0 H GLY A 34 -7.989 -4.266 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.202 -6.626 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.411 -5.359 -3.483 1.00 0.00 H new ATOM 589 N ILE A 35 -6.535 -4.010 -3.792 1.00 0.00 N ATOM 590 CA ILE A 35 -5.684 -3.193 -4.710 1.00 0.00 C ATOM 591 C ILE A 35 -5.010 -4.119 -5.728 1.00 0.00 C ATOM 592 O ILE A 35 -4.716 -3.720 -6.837 1.00 0.00 O ATOM 593 CB ILE A 35 -4.633 -2.417 -3.889 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.346 -1.346 -3.048 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.607 -1.738 -4.811 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.398 -0.172 -2.778 1.00 0.00 C ATOM 0 H ILE A 35 -6.295 -3.949 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.299 -2.471 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.105 -3.119 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.235 -0.993 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.682 -1.777 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.877 -1.198 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.096 -2.495 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.119 -1.040 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.913 0.581 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.523 -0.529 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.084 0.267 -3.725 1.00 0.00 H new ATOM 608 N PHE A 36 -4.758 -5.346 -5.367 1.00 0.00 N ATOM 609 CA PHE A 36 -4.100 -6.279 -6.328 1.00 0.00 C ATOM 610 C PHE A 36 -5.156 -7.189 -6.964 1.00 0.00 C ATOM 611 O PHE A 36 -5.971 -7.776 -6.280 1.00 0.00 O ATOM 612 CB PHE A 36 -3.087 -7.151 -5.584 1.00 0.00 C ATOM 613 CG PHE A 36 -2.071 -6.282 -4.884 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.939 -5.829 -5.572 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.258 -5.938 -3.540 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.006 -5.031 -4.915 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.313 -5.142 -2.883 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.182 -4.688 -3.571 1.00 0.00 C ATOM 0 H PHE A 36 -4.977 -5.743 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.595 -5.698 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.601 -7.780 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.585 -7.818 -6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.795 -6.095 -6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.132 -6.287 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.879 -4.680 -5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.456 -4.878 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.547 -4.072 -3.064 1.00 0.00 H new ATOM 628 N GLY A 37 -5.138 -7.328 -8.267 1.00 0.00 N ATOM 629 CA GLY A 37 -6.135 -8.218 -8.933 1.00 0.00 C ATOM 630 C GLY A 37 -6.736 -7.532 -10.165 1.00 0.00 C ATOM 631 O GLY A 37 -6.771 -8.100 -11.239 1.00 0.00 O ATOM 0 H GLY A 37 -4.479 -6.866 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.656 -9.152 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.928 -8.474 -8.230 1.00 0.00 H new ATOM 635 N ARG A 38 -7.227 -6.330 -10.015 1.00 0.00 N ATOM 636 CA ARG A 38 -7.848 -5.621 -11.174 1.00 0.00 C ATOM 637 C ARG A 38 -7.069 -4.348 -11.507 1.00 0.00 C ATOM 638 O ARG A 38 -6.061 -4.042 -10.902 1.00 0.00 O ATOM 639 CB ARG A 38 -9.293 -5.256 -10.830 1.00 0.00 C ATOM 640 CG ARG A 38 -10.137 -6.529 -10.690 1.00 0.00 C ATOM 641 CD ARG A 38 -10.442 -7.110 -12.075 1.00 0.00 C ATOM 642 NE ARG A 38 -11.531 -8.120 -11.959 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.788 -8.920 -12.957 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.091 -8.837 -14.057 1.00 0.00 N ATOM 645 NH2 ARG A 38 -12.742 -9.805 -12.855 1.00 0.00 N ATOM 0 H ARG A 38 -7.225 -5.807 -9.139 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.826 -6.281 -12.041 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.322 -4.687 -9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.710 -4.617 -11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.604 -7.264 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.067 -6.303 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.740 -6.314 -12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.547 -7.570 -12.494 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.076 -8.186 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.345 -8.146 -14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.292 -9.463 -14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.287 -9.871 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.943 -10.430 -13.635 1.00 0.00 H new ATOM 659 N HIS A 39 -7.534 -3.612 -12.483 1.00 0.00 N ATOM 660 CA HIS A 39 -6.838 -2.360 -12.887 1.00 0.00 C ATOM 661 C HIS A 39 -6.534 -1.524 -11.650 1.00 0.00 C ATOM 662 O HIS A 39 -6.837 -1.903 -10.537 1.00 0.00 O ATOM 663 CB HIS A 39 -7.741 -1.556 -13.824 1.00 0.00 C ATOM 664 CG HIS A 39 -8.131 -2.405 -15.002 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.157 -2.046 -15.867 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.645 -3.598 -15.472 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.252 -3.008 -16.804 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.355 -3.975 -16.606 1.00 0.00 N ATOM 0 H HIS A 39 -8.373 -3.829 -13.020 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.908 -2.612 -13.397 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.632 -1.225 -13.291 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.222 -0.660 -14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.835 -4.159 -15.029 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.965 -2.998 -17.615 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.219 -4.815 -17.169 1.00 0.00 H new ATOM 677 N SER A 40 -5.940 -0.381 -11.838 1.00 0.00 N ATOM 678 CA SER A 40 -5.624 0.483 -10.674 1.00 0.00 C ATOM 679 C SER A 40 -6.907 0.734 -9.884 1.00 0.00 C ATOM 680 O SER A 40 -7.973 0.868 -10.449 1.00 0.00 O ATOM 681 CB SER A 40 -5.063 1.811 -11.172 1.00 0.00 C ATOM 682 OG SER A 40 -5.106 1.835 -12.592 1.00 0.00 O ATOM 0 H SER A 40 -5.661 -0.010 -12.746 1.00 0.00 H new ATOM 0 HA SER A 40 -4.887 -0.004 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.643 2.640 -10.765 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.038 1.939 -10.825 1.00 0.00 H new ATOM 0 HG SER A 40 -5.509 2.676 -12.893 1.00 0.00 H new ATOM 688 N GLY A 41 -6.820 0.798 -8.585 1.00 0.00 N ATOM 689 CA GLY A 41 -8.046 1.039 -7.773 1.00 0.00 C ATOM 690 C GLY A 41 -8.808 -0.277 -7.583 1.00 0.00 C ATOM 691 O GLY A 41 -8.218 -1.324 -7.405 1.00 0.00 O ATOM 0 H GLY A 41 -5.957 0.694 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.775 1.457 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.684 1.771 -8.268 1.00 0.00 H new ATOM 695 N GLN A 42 -10.113 -0.220 -7.623 1.00 0.00 N ATOM 696 CA GLN A 42 -10.949 -1.447 -7.456 1.00 0.00 C ATOM 697 C GLN A 42 -10.895 -1.937 -6.004 1.00 0.00 C ATOM 698 O GLN A 42 -10.217 -2.895 -5.686 1.00 0.00 O ATOM 699 CB GLN A 42 -10.450 -2.550 -8.387 1.00 0.00 C ATOM 700 CG GLN A 42 -10.062 -1.950 -9.740 1.00 0.00 C ATOM 701 CD GLN A 42 -10.971 -0.765 -10.052 1.00 0.00 C ATOM 702 OE1 GLN A 42 -12.167 -0.920 -10.205 1.00 0.00 O ATOM 703 NE2 GLN A 42 -10.449 0.425 -10.144 1.00 0.00 N ATOM 0 H GLN A 42 -10.644 0.639 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.980 -1.200 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.591 -3.053 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.226 -3.303 -8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.021 -1.628 -9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.149 -2.704 -10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.445 0.553 -10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.044 1.229 -10.345 1.00 0.00 H new ATOM 712 N ALA A 43 -11.614 -1.289 -5.126 1.00 0.00 N ATOM 713 CA ALA A 43 -11.625 -1.709 -3.698 1.00 0.00 C ATOM 714 C ALA A 43 -12.977 -2.357 -3.383 1.00 0.00 C ATOM 715 O ALA A 43 -13.938 -2.184 -4.107 1.00 0.00 O ATOM 716 CB ALA A 43 -11.409 -0.488 -2.795 1.00 0.00 C ATOM 0 H ALA A 43 -12.198 -0.481 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.823 -2.425 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.418 -0.801 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.448 -0.029 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.207 0.235 -2.964 1.00 0.00 H new ATOM 722 N GLU A 44 -13.061 -3.110 -2.321 1.00 0.00 N ATOM 723 CA GLU A 44 -14.353 -3.775 -1.982 1.00 0.00 C ATOM 724 C GLU A 44 -15.460 -2.728 -1.833 1.00 0.00 C ATOM 725 O GLU A 44 -16.596 -2.958 -2.201 1.00 0.00 O ATOM 726 CB GLU A 44 -14.199 -4.542 -0.666 1.00 0.00 C ATOM 727 CG GLU A 44 -13.176 -5.666 -0.847 1.00 0.00 C ATOM 728 CD GLU A 44 -13.073 -6.474 0.448 1.00 0.00 C ATOM 729 OE1 GLU A 44 -13.642 -6.046 1.438 1.00 0.00 O ATOM 730 OE2 GLU A 44 -12.426 -7.509 0.426 1.00 0.00 O ATOM 0 H GLU A 44 -12.294 -3.294 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.620 -4.465 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.876 -3.866 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.160 -4.956 -0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.474 -6.315 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.203 -5.249 -1.106 1.00 0.00 H new ATOM 737 N GLY A 45 -15.144 -1.579 -1.302 1.00 0.00 N ATOM 738 CA GLY A 45 -16.185 -0.523 -1.138 1.00 0.00 C ATOM 739 C GLY A 45 -15.553 0.849 -1.372 1.00 0.00 C ATOM 740 O GLY A 45 -16.150 1.733 -1.952 1.00 0.00 O ATOM 0 H GLY A 45 -14.212 -1.325 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.000 -0.686 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.615 -0.572 -0.138 1.00 0.00 H new ATOM 744 N TYR A 46 -14.342 1.025 -0.924 1.00 0.00 N ATOM 745 CA TYR A 46 -13.649 2.329 -1.112 1.00 0.00 C ATOM 746 C TYR A 46 -13.466 2.617 -2.604 1.00 0.00 C ATOM 747 O TYR A 46 -13.258 1.722 -3.399 1.00 0.00 O ATOM 748 CB TYR A 46 -12.280 2.260 -0.439 1.00 0.00 C ATOM 749 CG TYR A 46 -11.474 3.486 -0.795 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.715 3.496 -1.969 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.486 4.608 0.043 1.00 0.00 C ATOM 752 CE1 TYR A 46 -9.966 4.626 -2.310 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.736 5.740 -0.296 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.976 5.749 -1.474 1.00 0.00 C ATOM 755 OH TYR A 46 -9.236 6.866 -1.808 1.00 0.00 O ATOM 0 H TYR A 46 -13.799 0.316 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.247 3.125 -0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.399 2.193 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.752 1.361 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.707 2.629 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.073 4.600 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.380 4.633 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.743 6.606 0.349 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.754 6.701 -2.645 1.00 0.00 H new ATOM 765 N SER A 47 -13.536 3.864 -2.986 1.00 0.00 N ATOM 766 CA SER A 47 -13.361 4.224 -4.423 1.00 0.00 C ATOM 767 C SER A 47 -12.113 5.098 -4.572 1.00 0.00 C ATOM 768 O SER A 47 -11.743 5.823 -3.670 1.00 0.00 O ATOM 769 CB SER A 47 -14.586 4.999 -4.909 1.00 0.00 C ATOM 770 OG SER A 47 -14.668 6.233 -4.207 1.00 0.00 O ATOM 0 H SER A 47 -13.708 4.652 -2.362 1.00 0.00 H new ATOM 0 HA SER A 47 -13.249 3.317 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.514 5.181 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.490 4.413 -4.745 1.00 0.00 H new ATOM 0 HG SER A 47 -15.451 6.734 -4.517 1.00 0.00 H new ATOM 776 N TYR A 48 -11.463 5.037 -5.700 1.00 0.00 N ATOM 777 CA TYR A 48 -10.236 5.861 -5.903 1.00 0.00 C ATOM 778 C TYR A 48 -10.571 7.045 -6.806 1.00 0.00 C ATOM 779 O TYR A 48 -11.593 7.066 -7.463 1.00 0.00 O ATOM 780 CB TYR A 48 -9.151 5.013 -6.569 1.00 0.00 C ATOM 781 CG TYR A 48 -9.027 3.695 -5.844 1.00 0.00 C ATOM 782 CD1 TYR A 48 -9.982 2.703 -6.055 1.00 0.00 C ATOM 783 CD2 TYR A 48 -7.959 3.464 -4.967 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.876 1.479 -5.390 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.852 2.238 -4.303 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.811 1.244 -4.515 1.00 0.00 C ATOM 787 OH TYR A 48 -8.708 0.034 -3.860 1.00 0.00 O ATOM 0 H TYR A 48 -11.728 4.452 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.876 6.219 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.400 4.842 -7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.198 5.542 -6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.804 2.880 -6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.218 4.233 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.619 0.712 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.029 2.060 -3.627 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.184 -0.589 -4.405 1.00 0.00 H new ATOM 797 N THR A 49 -9.723 8.033 -6.845 1.00 0.00 N ATOM 798 CA THR A 49 -10.005 9.211 -7.710 1.00 0.00 C ATOM 799 C THR A 49 -10.000 8.763 -9.169 1.00 0.00 C ATOM 800 O THR A 49 -9.440 7.740 -9.511 1.00 0.00 O ATOM 801 CB THR A 49 -8.921 10.275 -7.517 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.006 10.208 -8.602 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.172 10.023 -6.209 1.00 0.00 C ATOM 0 H THR A 49 -8.851 8.076 -6.318 1.00 0.00 H new ATOM 0 HA THR A 49 -10.975 9.631 -7.442 1.00 0.00 H new ATOM 0 HB THR A 49 -9.384 11.261 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.865 11.107 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.402 10.784 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.872 10.068 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.707 9.038 -6.240 1.00 0.00 H new ATOM 811 N ASP A 50 -10.614 9.517 -10.033 1.00 0.00 N ATOM 812 CA ASP A 50 -10.632 9.129 -11.467 1.00 0.00 C ATOM 813 C ASP A 50 -9.195 8.937 -11.948 1.00 0.00 C ATOM 814 O ASP A 50 -8.914 8.104 -12.784 1.00 0.00 O ATOM 815 CB ASP A 50 -11.304 10.232 -12.288 1.00 0.00 C ATOM 816 CG ASP A 50 -12.790 10.302 -11.930 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.264 9.391 -11.272 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.428 11.264 -12.322 1.00 0.00 O ATOM 0 H ASP A 50 -11.103 10.384 -9.809 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.189 8.200 -11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.826 11.191 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.185 10.031 -13.353 1.00 0.00 H new ATOM 823 N ALA A 51 -8.281 9.707 -11.428 1.00 0.00 N ATOM 824 CA ALA A 51 -6.862 9.577 -11.861 1.00 0.00 C ATOM 825 C ALA A 51 -6.417 8.115 -11.777 1.00 0.00 C ATOM 826 O ALA A 51 -5.952 7.547 -12.741 1.00 0.00 O ATOM 827 CB ALA A 51 -5.976 10.432 -10.950 1.00 0.00 C ATOM 0 H ALA A 51 -8.455 10.421 -10.721 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.770 9.917 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.936 10.340 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.284 11.475 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.076 10.090 -9.920 1.00 0.00 H new ATOM 833 N ASN A 52 -6.552 7.500 -10.638 1.00 0.00 N ATOM 834 CA ASN A 52 -6.125 6.075 -10.508 1.00 0.00 C ATOM 835 C ASN A 52 -6.882 5.208 -11.524 1.00 0.00 C ATOM 836 O ASN A 52 -6.320 4.330 -12.145 1.00 0.00 O ATOM 837 CB ASN A 52 -6.426 5.587 -9.088 1.00 0.00 C ATOM 838 CG ASN A 52 -5.740 4.240 -8.848 1.00 0.00 C ATOM 839 OD1 ASN A 52 -6.360 3.319 -8.161 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 -4.629 4.024 -9.290 1.00 0.00 N flip ATOM 0 H ASN A 52 -6.938 7.918 -9.791 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.056 5.997 -10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.076 6.319 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.502 5.488 -8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.145 4.744 -9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.181 3.123 -9.124 1.00 0.00 H new ATOM 847 N ILE A 53 -8.154 5.444 -11.686 1.00 0.00 N ATOM 848 CA ILE A 53 -8.958 4.627 -12.647 1.00 0.00 C ATOM 849 C ILE A 53 -8.576 4.933 -14.104 1.00 0.00 C ATOM 850 O ILE A 53 -8.442 4.039 -14.915 1.00 0.00 O ATOM 851 CB ILE A 53 -10.443 4.934 -12.444 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.837 4.616 -11.000 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.276 4.079 -13.399 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.284 5.047 -10.759 1.00 0.00 C ATOM 0 H ILE A 53 -8.676 6.169 -11.194 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.753 3.574 -12.455 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.626 5.989 -12.647 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.728 3.548 -10.809 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.172 5.133 -10.308 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.334 4.298 -13.254 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.996 4.305 -14.428 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.093 3.024 -13.197 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.565 4.820 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.378 6.119 -10.933 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.942 4.509 -11.441 1.00 0.00 H new ATOM 866 N LYS A 54 -8.426 6.183 -14.454 1.00 0.00 N ATOM 867 CA LYS A 54 -8.086 6.529 -15.867 1.00 0.00 C ATOM 868 C LYS A 54 -6.770 5.876 -16.294 1.00 0.00 C ATOM 869 O LYS A 54 -6.634 5.414 -17.409 1.00 0.00 O ATOM 870 CB LYS A 54 -7.969 8.048 -16.002 1.00 0.00 C ATOM 871 CG LYS A 54 -9.353 8.684 -15.858 1.00 0.00 C ATOM 872 CD LYS A 54 -9.248 10.192 -16.095 1.00 0.00 C ATOM 873 CE LYS A 54 -10.611 10.844 -15.854 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.512 11.797 -14.714 1.00 0.00 N ATOM 0 H LYS A 54 -8.524 6.979 -13.824 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.879 6.155 -16.514 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.296 8.440 -15.239 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.538 8.305 -16.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.045 8.240 -16.573 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.753 8.488 -14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.503 10.625 -15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.915 10.388 -17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.939 11.368 -16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.358 10.080 -15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.449 11.915 -14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.845 11.425 -14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.173 12.717 -15.059 1.00 0.00 H new ATOM 888 N LYS A 55 -5.801 5.831 -15.428 1.00 0.00 N ATOM 889 CA LYS A 55 -4.501 5.207 -15.809 1.00 0.00 C ATOM 890 C LYS A 55 -4.727 3.742 -16.187 1.00 0.00 C ATOM 891 O LYS A 55 -4.055 3.202 -17.043 1.00 0.00 O ATOM 892 CB LYS A 55 -3.523 5.295 -14.634 1.00 0.00 C ATOM 893 CG LYS A 55 -3.272 6.762 -14.270 1.00 0.00 C ATOM 894 CD LYS A 55 -2.454 7.449 -15.369 1.00 0.00 C ATOM 895 CE LYS A 55 -1.871 8.756 -14.829 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.184 9.485 -15.932 1.00 0.00 N ATOM 0 H LYS A 55 -5.849 6.196 -14.477 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.082 5.738 -16.664 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.927 4.762 -13.773 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.582 4.811 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.222 7.279 -14.137 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.741 6.823 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.652 6.792 -15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.085 7.650 -16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.664 9.374 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.168 8.548 -14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.787 10.374 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.417 8.895 -16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.867 9.696 -16.687 1.00 0.00 H new ATOM 910 N ASN A 56 -5.668 3.094 -15.560 1.00 0.00 N ATOM 911 CA ASN A 56 -5.929 1.665 -15.891 1.00 0.00 C ATOM 912 C ASN A 56 -4.632 0.872 -15.738 1.00 0.00 C ATOM 913 O ASN A 56 -4.261 0.097 -16.597 1.00 0.00 O ATOM 914 CB ASN A 56 -6.429 1.551 -17.332 1.00 0.00 C ATOM 915 CG ASN A 56 -7.324 0.316 -17.474 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.106 -0.732 -16.724 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -8.231 0.303 -18.283 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.266 3.490 -14.835 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.687 1.267 -15.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.985 2.448 -17.606 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.583 1.479 -18.016 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.403 1.120 -18.869 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.820 -0.525 -18.375 1.00 0.00 H new ATOM 924 N VAL A 57 -3.941 1.062 -14.648 1.00 0.00 N ATOM 925 CA VAL A 57 -2.668 0.327 -14.429 1.00 0.00 C ATOM 926 C VAL A 57 -2.878 -0.722 -13.340 1.00 0.00 C ATOM 927 O VAL A 57 -3.586 -0.500 -12.378 1.00 0.00 O ATOM 928 CB VAL A 57 -1.576 1.311 -13.992 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.975 1.970 -12.670 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.256 0.559 -13.805 1.00 0.00 C ATOM 0 H VAL A 57 -4.207 1.699 -13.897 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.361 -0.161 -15.354 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.455 2.078 -14.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.197 2.669 -12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.914 2.507 -12.800 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.098 1.204 -11.904 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.520 1.258 -13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.380 -0.209 -13.041 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.033 0.091 -14.746 1.00 0.00 H new ATOM 940 N LEU A 58 -2.277 -1.868 -13.488 1.00 0.00 N ATOM 941 CA LEU A 58 -2.453 -2.934 -12.466 1.00 0.00 C ATOM 942 C LEU A 58 -1.476 -2.715 -11.315 1.00 0.00 C ATOM 943 O LEU A 58 -0.292 -2.541 -11.516 1.00 0.00 O ATOM 944 CB LEU A 58 -2.188 -4.298 -13.107 1.00 0.00 C ATOM 945 CG LEU A 58 -2.310 -5.397 -12.050 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.700 -5.348 -11.419 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.100 -6.762 -12.710 1.00 0.00 C ATOM 0 H LEU A 58 -1.672 -2.112 -14.272 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.472 -2.900 -12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.899 -4.476 -13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.192 -4.315 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.556 -5.243 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.786 -6.132 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.853 -4.376 -10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.455 -5.502 -12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.187 -7.547 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.855 -6.913 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.108 -6.799 -13.161 1.00 0.00 H new ATOM 959 N TRP A 59 -1.965 -2.733 -10.108 1.00 0.00 N ATOM 960 CA TRP A 59 -1.068 -2.540 -8.938 1.00 0.00 C ATOM 961 C TRP A 59 -0.288 -3.833 -8.689 1.00 0.00 C ATOM 962 O TRP A 59 -0.856 -4.903 -8.607 1.00 0.00 O ATOM 963 CB TRP A 59 -1.913 -2.199 -7.709 1.00 0.00 C ATOM 964 CG TRP A 59 -2.235 -0.738 -7.701 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.470 -0.210 -7.851 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.329 0.386 -7.525 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.379 1.174 -7.790 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.077 1.587 -7.587 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.058 0.477 -7.323 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.468 2.833 -7.451 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.674 1.729 -7.185 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.087 2.904 -7.249 1.00 0.00 C ATOM 0 H TRP A 59 -2.950 -2.873 -9.881 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.369 -1.726 -9.132 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.833 -2.783 -7.716 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.373 -2.466 -6.800 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.380 -0.773 -7.995 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.174 1.806 -7.883 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.653 -0.423 -7.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.058 3.736 -7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.741 1.788 -7.029 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.394 3.865 -7.142 1.00 0.00 H new ATOM 983 N ASP A 60 1.009 -3.742 -8.568 1.00 0.00 N ATOM 984 CA ASP A 60 1.829 -4.965 -8.329 1.00 0.00 C ATOM 985 C ASP A 60 2.949 -4.633 -7.345 1.00 0.00 C ATOM 986 O ASP A 60 3.159 -3.490 -6.995 1.00 0.00 O ATOM 987 CB ASP A 60 2.443 -5.440 -9.650 1.00 0.00 C ATOM 988 CG ASP A 60 1.334 -5.885 -10.607 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.259 -6.206 -10.130 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.581 -5.897 -11.801 1.00 0.00 O ATOM 0 H ASP A 60 1.537 -2.871 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 60 1.196 -5.752 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.024 -4.636 -10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.130 -6.266 -9.466 1.00 0.00 H new ATOM 995 N GLU A 61 3.673 -5.619 -6.895 1.00 0.00 N ATOM 996 CA GLU A 61 4.776 -5.343 -5.935 1.00 0.00 C ATOM 997 C GLU A 61 5.783 -4.393 -6.581 1.00 0.00 C ATOM 998 O GLU A 61 6.303 -3.497 -5.946 1.00 0.00 O ATOM 999 CB GLU A 61 5.477 -6.653 -5.572 1.00 0.00 C ATOM 1000 CG GLU A 61 4.499 -7.572 -4.840 1.00 0.00 C ATOM 1001 CD GLU A 61 5.221 -8.856 -4.427 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.339 -9.053 -4.875 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.646 -9.617 -3.670 1.00 0.00 O ATOM 0 H GLU A 61 3.549 -6.599 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 61 4.368 -4.887 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.846 -7.142 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.343 -6.451 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.098 -7.068 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.653 -7.809 -5.485 1.00 0.00 H new ATOM 1010 N ASN A 62 6.058 -4.573 -7.844 1.00 0.00 N ATOM 1011 CA ASN A 62 7.026 -3.672 -8.528 1.00 0.00 C ATOM 1012 C ASN A 62 6.457 -2.254 -8.562 1.00 0.00 C ATOM 1013 O ASN A 62 7.147 -1.288 -8.299 1.00 0.00 O ATOM 1014 CB ASN A 62 7.255 -4.162 -9.958 1.00 0.00 C ATOM 1015 CG ASN A 62 7.952 -5.523 -9.928 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.507 -5.912 -8.920 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.947 -6.269 -10.999 1.00 0.00 N ATOM 0 H ASN A 62 5.655 -5.304 -8.430 1.00 0.00 H new ATOM 0 HA ASN A 62 7.973 -3.674 -7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.303 -4.241 -10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.863 -3.443 -10.507 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.409 -7.178 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.481 -5.943 -11.846 1.00 0.00 H new ATOM 1024 N ASN A 63 5.199 -2.126 -8.880 1.00 0.00 N ATOM 1025 CA ASN A 63 4.575 -0.775 -8.929 1.00 0.00 C ATOM 1026 C ASN A 63 4.608 -0.152 -7.533 1.00 0.00 C ATOM 1027 O ASN A 63 4.822 1.032 -7.371 1.00 0.00 O ATOM 1028 CB ASN A 63 3.120 -0.905 -9.389 1.00 0.00 C ATOM 1029 CG ASN A 63 3.076 -1.507 -10.795 1.00 0.00 C ATOM 1030 OD1 ASN A 63 4.030 -1.406 -11.542 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.002 -2.137 -11.191 1.00 0.00 N ATOM 0 H ASN A 63 4.575 -2.900 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 63 5.125 -0.143 -9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.564 -1.536 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.639 0.073 -9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.965 -2.543 -12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.201 -2.222 -10.565 1.00 0.00 H new ATOM 1038 N MET A 64 4.390 -0.949 -6.522 1.00 0.00 N ATOM 1039 CA MET A 64 4.399 -0.417 -5.131 1.00 0.00 C ATOM 1040 C MET A 64 5.782 0.141 -4.786 1.00 0.00 C ATOM 1041 O MET A 64 5.902 1.143 -4.111 1.00 0.00 O ATOM 1042 CB MET A 64 4.045 -1.545 -4.159 1.00 0.00 C ATOM 1043 CG MET A 64 2.566 -1.906 -4.308 1.00 0.00 C ATOM 1044 SD MET A 64 1.548 -0.511 -3.770 1.00 0.00 S ATOM 1045 CE MET A 64 -0.046 -1.168 -4.321 1.00 0.00 C ATOM 0 H MET A 64 4.206 -1.949 -6.601 1.00 0.00 H new ATOM 0 HA MET A 64 3.666 0.386 -5.050 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.665 -2.419 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.253 -1.235 -3.135 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.344 -2.153 -5.346 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.335 -2.790 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.688 -0.346 -4.639 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.111 -1.850 -5.157 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.522 -1.704 -3.500 1.00 0.00 H new ATOM 1055 N SER A 65 6.828 -0.494 -5.239 1.00 0.00 N ATOM 1056 CA SER A 65 8.191 0.017 -4.922 1.00 0.00 C ATOM 1057 C SER A 65 8.342 1.433 -5.478 1.00 0.00 C ATOM 1058 O SER A 65 8.825 2.327 -4.812 1.00 0.00 O ATOM 1059 CB SER A 65 9.240 -0.895 -5.560 1.00 0.00 C ATOM 1060 OG SER A 65 10.530 -0.523 -5.096 1.00 0.00 O ATOM 0 H SER A 65 6.799 -1.338 -5.811 1.00 0.00 H new ATOM 0 HA SER A 65 8.333 0.031 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.036 -1.935 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.195 -0.816 -6.646 1.00 0.00 H new ATOM 0 HG SER A 65 11.205 -1.107 -5.502 1.00 0.00 H new ATOM 1066 N GLU A 66 7.923 1.643 -6.693 1.00 0.00 N ATOM 1067 CA GLU A 66 8.027 2.995 -7.303 1.00 0.00 C ATOM 1068 C GLU A 66 7.035 3.942 -6.626 1.00 0.00 C ATOM 1069 O GLU A 66 7.246 5.135 -6.559 1.00 0.00 O ATOM 1070 CB GLU A 66 7.703 2.896 -8.795 1.00 0.00 C ATOM 1071 CG GLU A 66 8.773 2.060 -9.501 1.00 0.00 C ATOM 1072 CD GLU A 66 10.131 2.757 -9.384 1.00 0.00 C ATOM 1073 OE1 GLU A 66 10.143 3.943 -9.099 1.00 0.00 O ATOM 1074 OE2 GLU A 66 11.134 2.093 -9.586 1.00 0.00 O ATOM 0 H GLU A 66 7.510 0.930 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 66 9.038 3.381 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.722 2.442 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.658 3.893 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.824 1.066 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.511 1.927 -10.551 1.00 0.00 H new ATOM 1081 N TYR A 67 5.942 3.420 -6.143 1.00 0.00 N ATOM 1082 CA TYR A 67 4.920 4.287 -5.487 1.00 0.00 C ATOM 1083 C TYR A 67 5.534 5.052 -4.310 1.00 0.00 C ATOM 1084 O TYR A 67 5.323 6.239 -4.159 1.00 0.00 O ATOM 1085 CB TYR A 67 3.770 3.403 -4.991 1.00 0.00 C ATOM 1086 CG TYR A 67 2.778 4.219 -4.192 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.212 5.381 -4.732 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.422 3.803 -2.904 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.292 6.123 -3.982 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.503 4.546 -2.156 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.937 5.706 -2.695 1.00 0.00 C ATOM 1092 OH TYR A 67 0.030 6.439 -1.956 1.00 0.00 O ATOM 0 H TYR A 67 5.711 2.427 -6.174 1.00 0.00 H new ATOM 0 HA TYR A 67 4.549 5.015 -6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.268 2.940 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.165 2.595 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.485 5.704 -5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.858 2.907 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.856 7.019 -4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.230 4.224 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 67 0.049 6.139 -1.023 1.00 0.00 H new ATOM 1102 N LEU A 68 6.285 4.393 -3.473 1.00 0.00 N ATOM 1103 CA LEU A 68 6.897 5.103 -2.313 1.00 0.00 C ATOM 1104 C LEU A 68 8.070 5.968 -2.777 1.00 0.00 C ATOM 1105 O LEU A 68 8.223 7.096 -2.355 1.00 0.00 O ATOM 1106 CB LEU A 68 7.378 4.076 -1.287 1.00 0.00 C ATOM 1107 CG LEU A 68 6.221 3.720 -0.351 1.00 0.00 C ATOM 1108 CD1 LEU A 68 4.986 3.356 -1.173 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.614 2.528 0.521 1.00 0.00 C ATOM 0 H LEU A 68 6.502 3.399 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 68 6.149 5.751 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.741 3.181 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.213 4.480 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 68 5.997 4.579 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.164 3.103 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.699 4.204 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.212 2.500 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.788 2.276 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.842 1.672 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.492 2.784 1.113 1.00 0.00 H new ATOM 1121 N THR A 69 8.898 5.453 -3.640 1.00 0.00 N ATOM 1122 CA THR A 69 10.058 6.257 -4.123 1.00 0.00 C ATOM 1123 C THR A 69 9.552 7.397 -5.010 1.00 0.00 C ATOM 1124 O THR A 69 10.003 8.521 -4.914 1.00 0.00 O ATOM 1125 CB THR A 69 11.001 5.361 -4.930 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.344 4.932 -6.115 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.394 4.145 -4.092 1.00 0.00 C ATOM 0 H THR A 69 8.824 4.514 -4.032 1.00 0.00 H new ATOM 0 HA THR A 69 10.595 6.671 -3.269 1.00 0.00 H new ATOM 0 HB THR A 69 11.898 5.921 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.946 4.359 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.065 3.508 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.898 4.476 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.499 3.582 -3.826 1.00 0.00 H new ATOM 1135 N ASN A 70 8.612 7.114 -5.868 1.00 0.00 N ATOM 1136 CA ASN A 70 8.062 8.172 -6.761 1.00 0.00 C ATOM 1137 C ASN A 70 6.548 7.989 -6.882 1.00 0.00 C ATOM 1138 O ASN A 70 6.077 6.965 -7.335 1.00 0.00 O ATOM 1139 CB ASN A 70 8.701 8.058 -8.147 1.00 0.00 C ATOM 1140 CG ASN A 70 10.200 8.351 -8.047 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.652 8.943 -7.087 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.995 7.956 -9.004 1.00 0.00 N ATOM 0 H ASN A 70 8.199 6.190 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 70 8.282 9.154 -6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.542 7.058 -8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.228 8.759 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.996 8.144 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.615 7.459 -9.810 1.00 0.00 H new ATOM 1149 N HIS A 71 5.783 8.966 -6.475 1.00 0.00 N ATOM 1150 CA HIS A 71 4.301 8.836 -6.563 1.00 0.00 C ATOM 1151 C HIS A 71 3.705 10.086 -7.216 1.00 0.00 C ATOM 1152 O HIS A 71 4.386 11.065 -7.451 1.00 0.00 O ATOM 1153 CB HIS A 71 3.720 8.666 -5.157 1.00 0.00 C ATOM 1154 CG HIS A 71 4.652 9.273 -4.143 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.978 9.049 -3.862 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.235 10.253 -3.253 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.376 9.875 -2.817 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 5.292 10.579 -2.485 1.00 0.00 N flip ATOM 0 H HIS A 71 6.120 9.847 -6.086 1.00 0.00 H new ATOM 0 HA HIS A 71 4.053 7.965 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.742 9.144 -5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.571 7.608 -4.940 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.244 10.677 -3.188 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.357 9.934 -2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.267 11.277 -1.742 1.00 0.00 H new ATOM 1167 N ALA A 72 2.435 10.051 -7.511 1.00 0.00 N ATOM 1168 CA ALA A 72 1.775 11.222 -8.152 1.00 0.00 C ATOM 1169 C ALA A 72 2.220 11.330 -9.611 1.00 0.00 C ATOM 1170 O ALA A 72 1.526 11.877 -10.443 1.00 0.00 O ATOM 1171 CB ALA A 72 2.155 12.501 -7.403 1.00 0.00 C ATOM 0 H ALA A 72 1.822 9.255 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 72 0.694 11.090 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.671 13.356 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.829 12.426 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.236 12.634 -7.435 1.00 0.00 H new ATOM 1177 N LYS A 73 3.372 10.809 -9.929 1.00 0.00 N ATOM 1178 CA LYS A 73 3.854 10.882 -11.336 1.00 0.00 C ATOM 1179 C LYS A 73 2.857 10.168 -12.251 1.00 0.00 C ATOM 1180 O LYS A 73 2.644 10.563 -13.381 1.00 0.00 O ATOM 1181 CB LYS A 73 5.221 10.200 -11.446 1.00 0.00 C ATOM 1182 CG LYS A 73 6.207 10.836 -10.459 1.00 0.00 C ATOM 1183 CD LYS A 73 6.474 12.292 -10.849 1.00 0.00 C ATOM 1184 CE LYS A 73 7.736 12.786 -10.139 1.00 0.00 C ATOM 1185 NZ LYS A 73 8.046 14.174 -10.584 1.00 0.00 N ATOM 0 H LYS A 73 3.999 10.337 -9.277 1.00 0.00 H new ATOM 0 HA LYS A 73 3.944 11.926 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.122 9.135 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.602 10.293 -12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.802 10.790 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.142 10.275 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.596 12.374 -11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.622 12.915 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.591 12.763 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.574 12.126 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.904 14.510 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.201 14.182 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.249 14.800 -10.349 1.00 0.00 H new ATOM 1199 N TYR A 74 2.249 9.114 -11.774 1.00 0.00 N ATOM 1200 CA TYR A 74 1.272 8.368 -12.618 1.00 0.00 C ATOM 1201 C TYR A 74 0.009 8.062 -11.808 1.00 0.00 C ATOM 1202 O TYR A 74 -0.796 7.237 -12.190 1.00 0.00 O ATOM 1203 CB TYR A 74 1.910 7.059 -13.078 1.00 0.00 C ATOM 1204 CG TYR A 74 1.925 6.085 -11.930 1.00 0.00 C ATOM 1205 CD1 TYR A 74 2.775 6.305 -10.844 1.00 0.00 C ATOM 1206 CD2 TYR A 74 1.087 4.965 -11.951 1.00 0.00 C ATOM 1207 CE1 TYR A 74 2.793 5.402 -9.774 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.104 4.060 -10.882 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.958 4.278 -9.794 1.00 0.00 C ATOM 1210 OH TYR A 74 1.974 3.387 -8.741 1.00 0.00 O ATOM 0 H TYR A 74 2.387 8.738 -10.836 1.00 0.00 H new ATOM 0 HA TYR A 74 1.002 8.974 -13.483 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.351 6.643 -13.916 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.925 7.240 -13.430 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.419 7.172 -10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.428 4.798 -12.790 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.450 5.572 -8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.459 3.194 -10.897 1.00 0.00 H new ATOM 0 HH TYR A 74 1.094 2.965 -8.656 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.166 8.711 -10.690 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.376 8.449 -9.854 1.00 0.00 C ATOM 1222 C ILE A 75 -1.971 9.777 -9.367 1.00 0.00 C ATOM 1223 O ILE A 75 -1.310 10.797 -9.362 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.976 7.589 -8.649 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.513 7.778 -8.369 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.248 6.111 -8.948 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.788 7.469 -6.900 1.00 0.00 C ATOM 0 H ILE A 75 0.475 9.412 -10.318 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.123 7.924 -10.449 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.560 7.894 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.102 7.121 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.812 8.800 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.961 5.507 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.309 5.970 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.667 5.803 -9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.850 7.602 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.208 8.145 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.503 6.439 -6.685 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.216 9.756 -8.962 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.938 10.957 -8.463 1.00 0.00 C ATOM 1241 C PRO A 76 -3.048 11.907 -7.658 1.00 0.00 C ATOM 1242 O PRO A 76 -3.300 13.093 -7.590 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.030 10.374 -7.554 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.109 8.900 -7.848 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.090 8.582 -8.942 1.00 0.00 C ATOM 0 HA PRO A 76 -4.315 11.557 -9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.790 10.545 -6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.988 10.857 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.897 8.320 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.114 8.629 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.533 7.673 -8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.574 8.428 -9.906 1.00 0.00 H new ATOM 1253 N GLY A 77 -2.022 11.403 -7.038 1.00 0.00 N ATOM 1254 CA GLY A 77 -1.141 12.294 -6.234 1.00 0.00 C ATOM 1255 C GLY A 77 -1.689 12.373 -4.813 1.00 0.00 C ATOM 1256 O GLY A 77 -1.226 13.142 -3.995 1.00 0.00 O ATOM 0 H GLY A 77 -1.755 10.419 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.122 11.908 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.102 13.288 -6.679 1.00 0.00 H new ATOM 1260 N THR A 78 -2.676 11.574 -4.520 1.00 0.00 N ATOM 1261 CA THR A 78 -3.271 11.582 -3.154 1.00 0.00 C ATOM 1262 C THR A 78 -2.161 11.706 -2.109 1.00 0.00 C ATOM 1263 O THR A 78 -1.207 10.954 -2.111 1.00 0.00 O ATOM 1264 CB THR A 78 -4.022 10.268 -2.933 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.364 10.147 -1.560 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.129 9.095 -3.347 1.00 0.00 C ATOM 0 H THR A 78 -3.099 10.912 -5.171 1.00 0.00 H new ATOM 0 HA THR A 78 -3.954 12.426 -3.058 1.00 0.00 H new ATOM 0 HB THR A 78 -4.931 10.259 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.829 9.435 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.663 8.158 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.867 9.191 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.220 9.100 -2.745 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.282 12.644 -1.209 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.236 12.803 -0.160 1.00 0.00 C ATOM 1276 C LYS A 79 -1.439 11.729 0.909 1.00 0.00 C ATOM 1277 O LYS A 79 -2.536 11.523 1.388 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.356 14.190 0.478 1.00 0.00 C ATOM 1279 CG LYS A 79 -0.160 14.434 1.399 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.310 15.794 2.083 1.00 0.00 C ATOM 1281 CE LYS A 79 0.953 16.103 2.888 1.00 0.00 C ATOM 1282 NZ LYS A 79 1.850 16.983 2.087 1.00 0.00 N ATOM 0 H LYS A 79 -3.057 13.305 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.247 12.698 -0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.394 14.956 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.285 14.262 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.097 13.644 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.766 14.404 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.478 16.571 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.180 15.789 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.689 16.592 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.469 15.178 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.709 17.193 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.112 16.500 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.356 17.871 1.863 1.00 0.00 H new ATOM 1296 N MET A 80 -0.393 11.037 1.278 1.00 0.00 N ATOM 1297 CA MET A 80 -0.530 9.969 2.309 1.00 0.00 C ATOM 1298 C MET A 80 0.200 10.393 3.587 1.00 0.00 C ATOM 1299 O MET A 80 1.232 11.033 3.543 1.00 0.00 O ATOM 1300 CB MET A 80 0.077 8.668 1.769 1.00 0.00 C ATOM 1301 CG MET A 80 -0.356 7.477 2.632 1.00 0.00 C ATOM 1302 SD MET A 80 -0.605 6.030 1.570 1.00 0.00 S ATOM 1303 CE MET A 80 1.114 5.472 1.535 1.00 0.00 C ATOM 0 H MET A 80 0.549 11.166 0.910 1.00 0.00 H new ATOM 0 HA MET A 80 -1.584 9.810 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.240 8.512 0.738 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.164 8.743 1.761 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.402 7.264 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.277 7.715 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.181 4.535 0.983 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.731 6.226 1.047 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.468 5.319 2.555 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.337 10.048 4.725 1.00 0.00 N ATOM 1314 CA ALA A 81 0.311 10.436 6.011 1.00 0.00 C ATOM 1315 C ALA A 81 1.537 9.556 6.270 1.00 0.00 C ATOM 1316 O ALA A 81 2.162 9.642 7.309 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.689 10.261 7.155 1.00 0.00 C ATOM 0 H ALA A 81 -1.200 9.512 4.820 1.00 0.00 H new ATOM 0 HA ALA A 81 0.627 11.478 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.218 10.544 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.558 10.895 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.005 9.219 7.206 1.00 0.00 H new ATOM 1323 N PHE A 82 1.889 8.707 5.343 1.00 0.00 N ATOM 1324 CA PHE A 82 3.074 7.828 5.559 1.00 0.00 C ATOM 1325 C PHE A 82 4.334 8.539 5.070 1.00 0.00 C ATOM 1326 O PHE A 82 4.406 8.990 3.944 1.00 0.00 O ATOM 1327 CB PHE A 82 2.903 6.531 4.767 1.00 0.00 C ATOM 1328 CG PHE A 82 4.013 5.565 5.119 1.00 0.00 C ATOM 1329 CD1 PHE A 82 5.215 5.572 4.392 1.00 0.00 C ATOM 1330 CD2 PHE A 82 3.839 4.660 6.172 1.00 0.00 C ATOM 1331 CE1 PHE A 82 6.237 4.671 4.722 1.00 0.00 C ATOM 1332 CE2 PHE A 82 4.861 3.759 6.500 1.00 0.00 C ATOM 1333 CZ PHE A 82 6.058 3.764 5.774 1.00 0.00 C ATOM 0 H PHE A 82 1.411 8.584 4.451 1.00 0.00 H new ATOM 0 HA PHE A 82 3.162 7.604 6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.935 6.083 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.918 6.742 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.352 6.271 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.916 4.656 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.162 4.676 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.725 3.061 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.844 3.068 6.025 1.00 0.00 H new ATOM 1343 N GLY A 83 5.333 8.629 5.901 1.00 0.00 N ATOM 1344 CA GLY A 83 6.591 9.296 5.471 1.00 0.00 C ATOM 1345 C GLY A 83 7.490 8.260 4.799 1.00 0.00 C ATOM 1346 O GLY A 83 7.230 7.074 4.857 1.00 0.00 O ATOM 0 H GLY A 83 5.333 8.271 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.370 10.110 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.098 9.736 6.330 1.00 0.00 H new ATOM 1350 N GLY A 84 8.543 8.687 4.167 1.00 0.00 N ATOM 1351 CA GLY A 84 9.446 7.708 3.502 1.00 0.00 C ATOM 1352 C GLY A 84 10.365 7.076 4.549 1.00 0.00 C ATOM 1353 O GLY A 84 10.849 7.739 5.445 1.00 0.00 O ATOM 0 H GLY A 84 8.818 9.665 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.860 6.936 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.038 8.206 2.734 1.00 0.00 H new ATOM 1357 N LEU A 85 10.606 5.799 4.447 1.00 0.00 N ATOM 1358 CA LEU A 85 11.490 5.127 5.440 1.00 0.00 C ATOM 1359 C LEU A 85 12.920 5.069 4.899 1.00 0.00 C ATOM 1360 O LEU A 85 13.212 4.360 3.957 1.00 0.00 O ATOM 1361 CB LEU A 85 10.975 3.709 5.696 1.00 0.00 C ATOM 1362 CG LEU A 85 10.064 3.710 6.927 1.00 0.00 C ATOM 1363 CD1 LEU A 85 9.005 4.802 6.783 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.377 2.347 7.052 1.00 0.00 C ATOM 0 H LEU A 85 10.229 5.192 3.719 1.00 0.00 H new ATOM 0 HA LEU A 85 11.485 5.689 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.428 3.347 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.813 3.029 5.851 1.00 0.00 H new ATOM 0 HG LEU A 85 10.661 3.902 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.359 4.800 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.493 5.773 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.407 4.614 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.728 2.346 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.782 2.156 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.132 1.568 7.158 1.00 0.00 H new ATOM 1376 N LYS A 86 13.813 5.814 5.492 1.00 0.00 N ATOM 1377 CA LYS A 86 15.228 5.810 5.022 1.00 0.00 C ATOM 1378 C LYS A 86 15.813 4.402 5.157 1.00 0.00 C ATOM 1379 O LYS A 86 16.627 3.980 4.362 1.00 0.00 O ATOM 1380 CB LYS A 86 16.048 6.786 5.867 1.00 0.00 C ATOM 1381 CG LYS A 86 15.535 8.211 5.643 1.00 0.00 C ATOM 1382 CD LYS A 86 16.429 9.198 6.396 1.00 0.00 C ATOM 1383 CE LYS A 86 15.846 10.608 6.275 1.00 0.00 C ATOM 1384 NZ LYS A 86 16.954 11.592 6.116 1.00 0.00 N ATOM 0 H LYS A 86 13.623 6.427 6.284 1.00 0.00 H new ATOM 0 HA LYS A 86 15.262 6.115 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.972 6.523 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.102 6.721 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.532 8.445 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.506 8.297 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.502 8.912 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.440 9.174 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.172 10.662 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.257 10.847 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.558 12.550 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.581 11.546 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.498 11.367 5.258 1.00 0.00 H new ATOM 1398 N LYS A 87 15.410 3.676 6.163 1.00 0.00 N ATOM 1399 CA LYS A 87 15.949 2.298 6.349 1.00 0.00 C ATOM 1400 C LYS A 87 15.626 1.453 5.117 1.00 0.00 C ATOM 1401 O LYS A 87 16.405 0.613 4.712 1.00 0.00 O ATOM 1402 CB LYS A 87 15.310 1.663 7.585 1.00 0.00 C ATOM 1403 CG LYS A 87 15.721 2.447 8.834 1.00 0.00 C ATOM 1404 CD LYS A 87 15.177 1.745 10.080 1.00 0.00 C ATOM 1405 CE LYS A 87 15.483 2.590 11.317 1.00 0.00 C ATOM 1406 NZ LYS A 87 16.768 3.318 11.116 1.00 0.00 N ATOM 0 H LYS A 87 14.732 3.976 6.864 1.00 0.00 H new ATOM 0 HA LYS A 87 17.030 2.346 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.225 1.661 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.624 0.623 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.807 2.519 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.336 3.465 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.101 1.596 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.628 0.758 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.675 3.299 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.548 1.953 12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.089 3.713 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.486 2.660 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.627 4.090 10.433 1.00 0.00 H new ATOM 1420 N GLU A 88 14.480 1.673 4.526 1.00 0.00 N ATOM 1421 CA GLU A 88 14.068 0.896 3.315 1.00 0.00 C ATOM 1422 C GLU A 88 13.962 -0.599 3.644 1.00 0.00 C ATOM 1423 O GLU A 88 13.163 -1.306 3.064 1.00 0.00 O ATOM 1424 CB GLU A 88 15.079 1.104 2.180 1.00 0.00 C ATOM 1425 CG GLU A 88 15.086 2.577 1.766 1.00 0.00 C ATOM 1426 CD GLU A 88 16.049 2.772 0.593 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.767 1.838 0.280 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.051 3.854 0.028 1.00 0.00 O ATOM 0 H GLU A 88 13.801 2.369 4.835 1.00 0.00 H new ATOM 0 HA GLU A 88 13.091 1.257 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.074 0.802 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.819 0.477 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.082 2.891 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.389 3.201 2.607 1.00 0.00 H new ATOM 1435 N LYS A 89 14.744 -1.094 4.567 1.00 0.00 N ATOM 1436 CA LYS A 89 14.652 -2.541 4.907 1.00 0.00 C ATOM 1437 C LYS A 89 13.252 -2.839 5.441 1.00 0.00 C ATOM 1438 O LYS A 89 12.588 -3.759 5.005 1.00 0.00 O ATOM 1439 CB LYS A 89 15.692 -2.884 5.977 1.00 0.00 C ATOM 1440 CG LYS A 89 15.690 -4.394 6.226 1.00 0.00 C ATOM 1441 CD LYS A 89 16.683 -4.728 7.341 1.00 0.00 C ATOM 1442 CE LYS A 89 16.799 -6.247 7.483 1.00 0.00 C ATOM 1443 NZ LYS A 89 18.212 -6.661 7.258 1.00 0.00 N ATOM 0 H LYS A 89 15.436 -0.563 5.095 1.00 0.00 H new ATOM 0 HA LYS A 89 14.842 -3.141 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.681 -2.559 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.467 -2.352 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.690 -4.726 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.960 -4.924 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.659 -4.298 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.351 -4.288 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.472 -6.556 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.145 -6.741 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.291 -7.694 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.508 -6.379 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.825 -6.200 7.960 1.00 0.00 H new ATOM 1457 N ASP A 90 12.793 -2.049 6.371 1.00 0.00 N ATOM 1458 CA ASP A 90 11.432 -2.264 6.927 1.00 0.00 C ATOM 1459 C ASP A 90 10.404 -2.031 5.821 1.00 0.00 C ATOM 1460 O ASP A 90 9.399 -2.709 5.735 1.00 0.00 O ATOM 1461 CB ASP A 90 11.194 -1.274 8.067 1.00 0.00 C ATOM 1462 CG ASP A 90 12.123 -1.606 9.235 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.710 -2.675 9.214 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.233 -0.785 10.130 1.00 0.00 O ATOM 0 H ASP A 90 13.305 -1.262 6.770 1.00 0.00 H new ATOM 0 HA ASP A 90 11.338 -3.282 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.376 -0.256 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.154 -1.320 8.391 1.00 0.00 H new ATOM 1469 N ARG A 91 10.653 -1.073 4.971 1.00 0.00 N ATOM 1470 CA ARG A 91 9.701 -0.783 3.865 1.00 0.00 C ATOM 1471 C ARG A 91 9.487 -2.045 3.030 1.00 0.00 C ATOM 1472 O ARG A 91 8.382 -2.356 2.628 1.00 0.00 O ATOM 1473 CB ARG A 91 10.283 0.321 2.979 1.00 0.00 C ATOM 1474 CG ARG A 91 9.283 0.682 1.881 1.00 0.00 C ATOM 1475 CD ARG A 91 9.916 1.702 0.933 1.00 0.00 C ATOM 1476 NE ARG A 91 10.253 2.941 1.689 1.00 0.00 N ATOM 1477 CZ ARG A 91 10.943 3.888 1.115 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.338 3.751 -0.121 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.239 4.973 1.778 1.00 0.00 N ATOM 0 H ARG A 91 11.480 -0.476 4.996 1.00 0.00 H new ATOM 0 HA ARG A 91 8.746 -0.458 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.511 1.201 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.221 -0.013 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.993 -0.212 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.375 1.093 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.815 1.284 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.228 1.935 0.120 1.00 0.00 H new ATOM 0 HE ARG A 91 9.944 3.049 2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.107 2.903 -0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.877 4.492 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.931 5.080 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.778 5.714 1.330 1.00 0.00 H new ATOM 1493 N ASN A 92 10.534 -2.774 2.763 1.00 0.00 N ATOM 1494 CA ASN A 92 10.391 -4.012 1.954 1.00 0.00 C ATOM 1495 C ASN A 92 9.459 -4.990 2.670 1.00 0.00 C ATOM 1496 O ASN A 92 8.631 -5.635 2.059 1.00 0.00 O ATOM 1497 CB ASN A 92 11.767 -4.655 1.776 1.00 0.00 C ATOM 1498 CG ASN A 92 12.661 -3.727 0.951 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.179 -2.831 0.287 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.955 -3.904 0.967 1.00 0.00 N ATOM 0 H ASN A 92 11.483 -2.564 3.071 1.00 0.00 H new ATOM 0 HA ASN A 92 9.971 -3.765 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.221 -4.844 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.668 -5.619 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.560 -3.290 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.360 -4.656 1.524 1.00 0.00 H new ATOM 1507 N ASP A 93 9.586 -5.104 3.962 1.00 0.00 N ATOM 1508 CA ASP A 93 8.709 -6.039 4.714 1.00 0.00 C ATOM 1509 C ASP A 93 7.247 -5.624 4.544 1.00 0.00 C ATOM 1510 O ASP A 93 6.365 -6.451 4.425 1.00 0.00 O ATOM 1511 CB ASP A 93 9.084 -5.999 6.196 1.00 0.00 C ATOM 1512 CG ASP A 93 10.483 -6.588 6.385 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.982 -7.190 5.448 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.033 -6.425 7.462 1.00 0.00 O ATOM 0 H ASP A 93 10.260 -4.589 4.529 1.00 0.00 H new ATOM 0 HA ASP A 93 8.841 -7.050 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.058 -4.972 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.358 -6.564 6.781 1.00 0.00 H new ATOM 1519 N LEU A 94 6.982 -4.346 4.533 1.00 0.00 N ATOM 1520 CA LEU A 94 5.581 -3.875 4.375 1.00 0.00 C ATOM 1521 C LEU A 94 5.016 -4.344 3.034 1.00 0.00 C ATOM 1522 O LEU A 94 3.889 -4.786 2.949 1.00 0.00 O ATOM 1523 CB LEU A 94 5.559 -2.347 4.423 1.00 0.00 C ATOM 1524 CG LEU A 94 6.019 -1.865 5.799 1.00 0.00 C ATOM 1525 CD1 LEU A 94 6.030 -0.335 5.825 1.00 0.00 C ATOM 1526 CD2 LEU A 94 5.055 -2.380 6.869 1.00 0.00 C ATOM 0 H LEU A 94 7.679 -3.607 4.627 1.00 0.00 H new ATOM 0 HA LEU A 94 4.972 -4.285 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.210 -1.940 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.553 -1.982 4.217 1.00 0.00 H new ATOM 0 HG LEU A 94 7.022 -2.243 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.358 0.010 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.714 0.037 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.026 0.040 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.383 -2.036 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.053 -2.001 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.041 -3.470 6.852 1.00 0.00 H new ATOM 1538 N ILE A 95 5.783 -4.250 1.986 1.00 0.00 N ATOM 1539 CA ILE A 95 5.282 -4.682 0.657 1.00 0.00 C ATOM 1540 C ILE A 95 4.830 -6.140 0.731 1.00 0.00 C ATOM 1541 O ILE A 95 3.768 -6.497 0.260 1.00 0.00 O ATOM 1542 CB ILE A 95 6.408 -4.549 -0.368 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.975 -3.125 -0.335 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.859 -4.839 -1.758 1.00 0.00 C ATOM 1545 CD1 ILE A 95 5.835 -2.109 -0.440 1.00 0.00 C ATOM 0 H ILE A 95 6.738 -3.891 1.994 1.00 0.00 H new ATOM 0 HA ILE A 95 4.439 -4.058 0.361 1.00 0.00 H new ATOM 0 HB ILE A 95 7.200 -5.258 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.531 -2.967 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.676 -2.984 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.659 -4.745 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.457 -5.852 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.067 -4.128 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.244 -1.099 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.298 -2.261 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.150 -2.243 0.397 1.00 0.00 H new ATOM 1557 N THR A 96 5.628 -6.985 1.317 1.00 0.00 N ATOM 1558 CA THR A 96 5.248 -8.421 1.422 1.00 0.00 C ATOM 1559 C THR A 96 3.948 -8.553 2.223 1.00 0.00 C ATOM 1560 O THR A 96 3.076 -9.334 1.891 1.00 0.00 O ATOM 1561 CB THR A 96 6.363 -9.187 2.136 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.610 -8.866 1.538 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.113 -10.691 2.013 1.00 0.00 C ATOM 0 H THR A 96 6.529 -6.744 1.729 1.00 0.00 H new ATOM 0 HA THR A 96 5.100 -8.831 0.423 1.00 0.00 H new ATOM 0 HB THR A 96 6.378 -8.908 3.190 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.321 -8.927 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.909 -11.235 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.154 -10.939 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.098 -10.972 0.960 1.00 0.00 H new ATOM 1571 N TYR A 97 3.814 -7.801 3.283 1.00 0.00 N ATOM 1572 CA TYR A 97 2.578 -7.892 4.111 1.00 0.00 C ATOM 1573 C TYR A 97 1.350 -7.521 3.275 1.00 0.00 C ATOM 1574 O TYR A 97 0.318 -8.155 3.364 1.00 0.00 O ATOM 1575 CB TYR A 97 2.686 -6.943 5.306 1.00 0.00 C ATOM 1576 CG TYR A 97 1.462 -7.099 6.175 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.414 -8.109 7.142 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.372 -6.237 6.008 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.277 -8.256 7.945 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.766 -6.385 6.809 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.813 -7.395 7.778 1.00 0.00 C ATOM 1582 OH TYR A 97 -1.935 -7.541 8.569 1.00 0.00 O ATOM 0 H TYR A 97 4.507 -7.128 3.610 1.00 0.00 H new ATOM 0 HA TYR A 97 2.469 -8.917 4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.585 -7.164 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.773 -5.913 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.254 -8.775 7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.409 -5.458 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.241 -9.034 8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.608 -5.721 6.680 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.598 -6.862 8.325 1.00 0.00 H new ATOM 1592 N LEU A 98 1.443 -6.501 2.465 1.00 0.00 N ATOM 1593 CA LEU A 98 0.270 -6.107 1.640 1.00 0.00 C ATOM 1594 C LEU A 98 -0.143 -7.277 0.753 1.00 0.00 C ATOM 1595 O LEU A 98 -1.314 -7.510 0.524 1.00 0.00 O ATOM 1596 CB LEU A 98 0.630 -4.900 0.772 1.00 0.00 C ATOM 1597 CG LEU A 98 1.013 -3.715 1.662 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.285 -2.490 0.787 1.00 0.00 C ATOM 1599 CD2 LEU A 98 -0.134 -3.403 2.626 1.00 0.00 C ATOM 0 H LEU A 98 2.277 -5.927 2.341 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.560 -5.839 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.458 -5.151 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.215 -4.632 0.138 1.00 0.00 H new ATOM 0 HG LEU A 98 1.908 -3.966 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.558 -1.645 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.102 -2.708 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.389 -2.243 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.142 -2.559 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.030 -3.153 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.332 -4.274 3.250 1.00 0.00 H new ATOM 1611 N LYS A 99 0.800 -8.028 0.263 1.00 0.00 N ATOM 1612 CA LYS A 99 0.435 -9.188 -0.590 1.00 0.00 C ATOM 1613 C LYS A 99 -0.496 -10.095 0.212 1.00 0.00 C ATOM 1614 O LYS A 99 -1.459 -10.630 -0.300 1.00 0.00 O ATOM 1615 CB LYS A 99 1.694 -9.967 -0.975 1.00 0.00 C ATOM 1616 CG LYS A 99 1.313 -11.111 -1.918 1.00 0.00 C ATOM 1617 CD LYS A 99 2.570 -11.886 -2.321 1.00 0.00 C ATOM 1618 CE LYS A 99 3.138 -12.615 -1.101 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.953 -13.778 -1.552 1.00 0.00 N ATOM 0 H LYS A 99 1.799 -7.891 0.415 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.057 -8.843 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.411 -9.305 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.178 -10.362 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.604 -11.778 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.818 -10.715 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.331 -12.603 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.315 -11.203 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.752 -11.935 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.327 -12.954 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.339 -14.274 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.355 -14.430 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.735 -13.443 -2.150 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.213 -10.263 1.476 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.075 -11.125 2.329 1.00 0.00 C ATOM 1635 C LYS A 100 -2.494 -10.553 2.376 1.00 0.00 C ATOM 1636 O LYS A 100 -3.465 -11.280 2.429 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.501 -11.178 3.746 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.313 -12.163 4.590 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.685 -12.284 5.980 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.844 -10.960 6.732 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.747 -11.207 8.198 1.00 0.00 N ATOM 0 H LYS A 100 0.581 -9.838 1.954 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.105 -12.130 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.544 -11.485 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.529 -10.187 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.345 -11.822 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.339 -13.139 4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.163 -13.090 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.371 -12.539 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.072 -10.257 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.805 -10.506 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.070 -10.364 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.344 -12.019 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.241 -11.411 8.451 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.622 -9.253 2.365 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.980 -8.643 2.421 1.00 0.00 C ATOM 1657 C ALA A 101 -4.799 -9.093 1.210 1.00 0.00 C ATOM 1658 O ALA A 101 -5.990 -9.309 1.303 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.856 -7.116 2.419 1.00 0.00 C ATOM 0 H ALA A 101 -1.848 -8.590 2.320 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.482 -8.965 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.850 -6.670 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.279 -6.797 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.351 -6.793 1.509 1.00 0.00 H new ATOM 1665 N THR A 102 -4.176 -9.239 0.073 1.00 0.00 N ATOM 1666 CA THR A 102 -4.933 -9.679 -1.133 1.00 0.00 C ATOM 1667 C THR A 102 -5.363 -11.138 -0.963 1.00 0.00 C ATOM 1668 O THR A 102 -6.389 -11.554 -1.463 1.00 0.00 O ATOM 1669 CB THR A 102 -4.053 -9.528 -2.380 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.854 -9.079 -3.464 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.414 -10.872 -2.743 1.00 0.00 C ATOM 0 H THR A 102 -3.180 -9.074 -0.073 1.00 0.00 H new ATOM 0 HA THR A 102 -5.821 -9.058 -1.252 1.00 0.00 H new ATOM 0 HB THR A 102 -3.263 -8.805 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.616 -9.576 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.792 -10.751 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.799 -11.219 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.196 -11.604 -2.945 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.586 -11.918 -0.262 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.951 -13.348 -0.062 1.00 0.00 C ATOM 1681 C GLU A 103 -5.911 -13.469 1.124 1.00 0.00 C ATOM 1682 O GLU A 103 -6.512 -12.503 1.550 1.00 0.00 O ATOM 1683 CB GLU A 103 -3.686 -14.162 0.220 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.041 -15.649 0.292 1.00 0.00 C ATOM 1685 CD GLU A 103 -2.796 -16.454 0.671 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -1.759 -15.843 0.874 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -2.902 -17.666 0.754 1.00 0.00 O ATOM 0 H GLU A 103 -3.715 -11.626 0.181 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.435 -13.729 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.948 -13.991 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.235 -13.839 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.829 -15.810 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.428 -15.988 -0.669 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.342 4.434 2.146 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.453 4.431 -1.051 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.254 1.880 1.413 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.285 4.402 5.353 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.462 6.969 2.871 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.939 3.393 0.541 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.485 3.523 -0.718 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.898 2.593 -1.649 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.067 1.811 -0.925 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.049 2.357 0.407 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.498 0.501 -1.345 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.910 2.718 -3.134 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.477 4.107 -3.606 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.486 4.636 -4.627 1.00 0.00 C HETATM 1709 O1A HEC A 104 -2.739 5.830 -4.617 1.00 0.00 O HETATM 1710 O2A HEC A 104 -2.991 3.839 -5.400 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.036 3.380 3.162 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.232 2.357 2.707 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.625 1.839 3.757 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.228 2.467 4.911 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.729 3.475 4.501 1.00 0.00 C HETATM 1716 CMB HEC A 104 1.932 1.137 3.539 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.387 1.960 6.322 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.640 1.107 6.565 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.764 5.468 3.750 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.225 5.336 5.006 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.772 6.299 5.924 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.754 6.946 5.254 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.686 6.481 3.891 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.130 6.757 7.188 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.874 7.712 5.870 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.555 9.197 6.047 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.655 5.477 1.133 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.448 6.510 1.581 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.263 7.052 0.523 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.052 6.266 -0.557 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.008 5.343 -0.192 1.00 0.00 C HETATM 1732 CMD HEC A 104 -5.892 8.403 0.509 1.00 0.00 C HETATM 1733 CAD HEC A 104 -5.915 6.184 -1.770 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.353 6.994 -2.940 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.224 6.772 -4.178 1.00 0.00 C HETATM 1736 O1D HEC A 104 -5.674 6.430 -5.212 1.00 0.00 O HETATM 1737 O2D HEC A 104 -7.427 6.950 -4.071 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.571 8.497 1.356 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.117 9.166 0.579 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.449 8.535 -0.419 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.981 5.904 7.850 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.166 7.214 6.962 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.772 7.489 7.678 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.768 0.241 2.940 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.619 1.802 3.016 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.360 0.857 4.502 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.308 -0.201 -1.543 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.095 0.635 -2.250 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.137 0.108 -0.550 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.329 8.053 -2.684 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.326 6.692 -3.146 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.684 9.308 6.693 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.345 9.642 5.075 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.409 9.701 6.500 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.614 0.230 5.918 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.530 1.696 6.342 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.667 0.789 7.607 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.412 4.787 -2.757 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.484 4.058 -4.052 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.018 5.141 -2.070 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -6.914 6.546 -1.527 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.247 1.968 -3.564 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.913 2.507 -3.506 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.144 7.787 3.106 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.949 4.392 6.390 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.417 1.055 1.172 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.811 4.429 -2.081 1.00 0.00 H new