USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=35 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 160:sc= -1.5! USER MOD Set 1.2: A 80 MET CE :methyl 178:sc= -1.04 (180deg=-0.493) USER MOD Set 2.1: A 40 SER OG : rot -145:sc= -0.683! USER MOD Set 2.2: A 52 ASN : amide:sc= -4.58 K(o=-5.3,f=-7!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -3.98! C(o=-7.9!,f=-9.4!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -3.94! C(o=-21!,f=-7.9!) USER MOD Set 4.1: A 19 THR OG1 : rot -72:sc= 0.946 USER MOD Set 4.2: A 27 LYS NZ :NH3+ -130:sc= 0.0829 (180deg=0) 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+ -163:sc= -0.0161 (180deg=-0.371) USER MOD Single : A 8 THR OG1 : rot -58:sc= 0.578 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -151:sc= 0.278 (180deg=-0.208) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.926 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-5.6!) USER MOD Single : A 31 ASN : amide:sc= -2.11 K(o=-2.1,f=-6.8!) USER MOD Single : A 33 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-6.8!) USER MOD Single : A 42 GLN :FLIP amide:sc= -7.42! C(o=-13!,f=-7.4!) USER MOD Single : A 46 TYR OH : rot 178:sc= -0.746 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 153:sc= -0.899 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.439 (180deg=-0.907!) USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= -0.819 (180deg=-3.09!) USER MOD Single : A 62 ASN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -2.8! C(o=-4.7!,f=-2.8!) USER MOD Single : A 64 MET CE :methyl -138:sc= -1.25 (180deg=-3.97!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -88:sc= -0.302 USER MOD Single : A 70 ASN : amide:sc= -0.0606 K(o=-0.061,f=-2!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -4.15! C(o=-6.7!,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 78 THR OG1 : rot 145:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.113) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= -0.0571 (180deg=-0.499) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.444) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.497) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.87 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+ -148:sc= -0.0185 (180deg=-0.805) USER MOD Single : A 102 THR OG1 : rot -140:sc= -0.767 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 17.751 -0.907 -3.058 1.00 0.00 N ATOM 2 CA THR A -5 16.403 -0.519 -3.562 1.00 0.00 C ATOM 3 C THR A -5 15.605 -1.778 -3.907 1.00 0.00 C ATOM 4 O THR A -5 14.390 -1.777 -3.897 1.00 0.00 O ATOM 5 CB THR A -5 16.557 0.347 -4.814 1.00 0.00 C ATOM 6 OG1 THR A -5 17.924 0.381 -5.199 1.00 0.00 O ATOM 7 CG2 THR A -5 16.072 1.766 -4.519 1.00 0.00 C ATOM 0 H1 THR A -5 18.095 -0.184 -2.394 1.00 0.00 H new ATOM 0 H2 THR A -5 17.689 -1.823 -2.570 1.00 0.00 H new ATOM 0 H3 THR A -5 18.411 -0.985 -3.858 1.00 0.00 H new ATOM 0 HA THR A -5 15.876 0.045 -2.793 1.00 0.00 H new ATOM 0 HB THR A -5 15.962 -0.076 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A -5 18.024 0.934 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A -5 16.183 2.381 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A -5 15.023 1.738 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A -5 16.664 2.192 -3.709 1.00 0.00 H new ATOM 17 N GLU A -4 16.279 -2.854 -4.212 1.00 0.00 N ATOM 18 CA GLU A -4 15.558 -4.111 -4.557 1.00 0.00 C ATOM 19 C GLU A -4 14.653 -4.517 -3.391 1.00 0.00 C ATOM 20 O GLU A -4 15.000 -4.352 -2.239 1.00 0.00 O ATOM 21 CB GLU A -4 16.572 -5.224 -4.826 1.00 0.00 C ATOM 22 CG GLU A -4 17.444 -4.844 -6.024 1.00 0.00 C ATOM 23 CD GLU A -4 18.411 -5.987 -6.337 1.00 0.00 C ATOM 24 OE1 GLU A -4 18.484 -6.910 -5.541 1.00 0.00 O ATOM 25 OE2 GLU A -4 19.062 -5.920 -7.365 1.00 0.00 O ATOM 0 H GLU A -4 17.297 -2.916 -4.237 1.00 0.00 H new ATOM 0 HA GLU A -4 14.952 -3.948 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A -4 17.195 -5.383 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A -4 16.054 -6.162 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A -4 16.818 -4.636 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A -4 18.001 -3.932 -5.807 1.00 0.00 H new ATOM 32 N PHE A -3 13.496 -5.046 -3.681 1.00 0.00 N ATOM 33 CA PHE A -3 12.570 -5.461 -2.589 1.00 0.00 C ATOM 34 C PHE A -3 12.619 -6.982 -2.425 1.00 0.00 C ATOM 35 O PHE A -3 12.405 -7.723 -3.363 1.00 0.00 O ATOM 36 CB PHE A -3 11.145 -5.023 -2.943 1.00 0.00 C ATOM 37 CG PHE A -3 10.137 -5.874 -2.201 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.379 -6.271 -0.879 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.954 -6.265 -2.841 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.440 -7.057 -0.202 1.00 0.00 C ATOM 41 CE2 PHE A -3 8.017 -7.052 -2.162 1.00 0.00 C ATOM 42 CZ PHE A -3 8.259 -7.448 -0.842 1.00 0.00 C ATOM 0 H PHE A -3 13.152 -5.209 -4.627 1.00 0.00 H new ATOM 0 HA PHE A -3 12.873 -4.992 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A -3 11.005 -3.973 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.986 -5.112 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.290 -5.970 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.765 -5.959 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.627 -7.362 0.817 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.106 -7.354 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.535 -8.055 -0.318 1.00 0.00 H new ATOM 52 N LYS A -2 12.894 -7.447 -1.234 1.00 0.00 N ATOM 53 CA LYS A -2 12.956 -8.915 -0.994 1.00 0.00 C ATOM 54 C LYS A -2 11.842 -9.312 -0.023 1.00 0.00 C ATOM 55 O LYS A -2 11.550 -8.605 0.921 1.00 0.00 O ATOM 56 CB LYS A -2 14.314 -9.276 -0.389 1.00 0.00 C ATOM 57 CG LYS A -2 15.427 -8.888 -1.365 1.00 0.00 C ATOM 58 CD LYS A -2 16.761 -9.449 -0.868 1.00 0.00 C ATOM 59 CE LYS A -2 17.124 -8.796 0.468 1.00 0.00 C ATOM 60 NZ LYS A -2 18.605 -8.784 0.628 1.00 0.00 N ATOM 0 H LYS A -2 13.079 -6.868 -0.415 1.00 0.00 H new ATOM 0 HA LYS A -2 12.828 -9.447 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.451 -8.757 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.357 -10.344 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.205 -9.276 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.487 -7.803 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.691 -10.530 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A -2 17.544 -9.259 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A -2 16.735 -7.778 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A -2 16.663 -9.344 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 18.853 -8.340 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.964 -9.760 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 19.034 -8.243 -0.150 1.00 0.00 H new ATOM 74 N ALA A -1 11.217 -10.435 -0.247 1.00 0.00 N ATOM 75 CA ALA A -1 10.121 -10.867 0.664 1.00 0.00 C ATOM 76 C ALA A -1 10.715 -11.435 1.954 1.00 0.00 C ATOM 77 O ALA A -1 11.153 -12.568 2.003 1.00 0.00 O ATOM 78 CB ALA A -1 9.280 -11.942 -0.027 1.00 0.00 C ATOM 0 H ALA A -1 11.417 -11.070 -1.019 1.00 0.00 H new ATOM 0 HA ALA A -1 9.493 -10.010 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.477 -12.259 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.852 -11.536 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.911 -12.798 -0.269 1.00 0.00 H new ATOM 84 N GLY A 1 10.726 -10.659 3.004 1.00 0.00 N ATOM 85 CA GLY A 1 11.283 -11.155 4.294 1.00 0.00 C ATOM 86 C GLY A 1 10.209 -11.956 5.030 1.00 0.00 C ATOM 87 O GLY A 1 9.843 -13.040 4.622 1.00 0.00 O ATOM 0 H GLY A 1 10.373 -9.702 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.157 -11.779 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.613 -10.317 4.908 1.00 0.00 H new ATOM 91 N SER A 2 9.694 -11.425 6.110 1.00 0.00 N ATOM 92 CA SER A 2 8.635 -12.152 6.870 1.00 0.00 C ATOM 93 C SER A 2 7.370 -11.293 6.918 1.00 0.00 C ATOM 94 O SER A 2 7.405 -10.139 7.297 1.00 0.00 O ATOM 95 CB SER A 2 9.123 -12.418 8.294 1.00 0.00 C ATOM 96 OG SER A 2 8.161 -13.209 8.980 1.00 0.00 O ATOM 0 H SER A 2 9.962 -10.520 6.497 1.00 0.00 H new ATOM 0 HA SER A 2 8.416 -13.100 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.084 -12.932 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.278 -11.476 8.820 1.00 0.00 H new ATOM 0 HG SER A 2 8.472 -13.383 9.893 1.00 0.00 H new ATOM 102 N ALA A 3 6.252 -11.847 6.537 1.00 0.00 N ATOM 103 CA ALA A 3 4.985 -11.064 6.560 1.00 0.00 C ATOM 104 C ALA A 3 4.562 -10.808 8.008 1.00 0.00 C ATOM 105 O ALA A 3 4.004 -9.777 8.329 1.00 0.00 O ATOM 106 CB ALA A 3 3.887 -11.850 5.841 1.00 0.00 C ATOM 0 H ALA A 3 6.161 -12.809 6.210 1.00 0.00 H new ATOM 0 HA ALA A 3 5.142 -10.110 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.960 -11.278 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.185 -12.029 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.733 -12.804 6.345 1.00 0.00 H new ATOM 112 N LYS A 4 4.814 -11.742 8.882 1.00 0.00 N ATOM 113 CA LYS A 4 4.418 -11.563 10.304 1.00 0.00 C ATOM 114 C LYS A 4 5.113 -10.332 10.873 1.00 0.00 C ATOM 115 O LYS A 4 4.504 -9.492 11.506 1.00 0.00 O ATOM 116 CB LYS A 4 4.863 -12.786 11.097 1.00 0.00 C ATOM 117 CG LYS A 4 4.306 -14.040 10.434 1.00 0.00 C ATOM 118 CD LYS A 4 4.703 -15.274 11.249 1.00 0.00 C ATOM 119 CE LYS A 4 4.003 -15.239 12.610 1.00 0.00 C ATOM 120 NZ LYS A 4 3.474 -16.595 12.930 1.00 0.00 N ATOM 0 H LYS A 4 5.279 -12.625 8.670 1.00 0.00 H new ATOM 0 HA LYS A 4 3.337 -11.440 10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.951 -12.833 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.510 -12.716 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.220 -13.973 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.688 -14.126 9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.428 -16.181 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.784 -15.299 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.702 -14.918 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.190 -14.514 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.998 -16.573 13.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.795 -16.884 12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.260 -17.276 12.961 1.00 0.00 H new ATOM 134 N LYS A 5 6.388 -10.228 10.653 1.00 0.00 N ATOM 135 CA LYS A 5 7.144 -9.060 11.179 1.00 0.00 C ATOM 136 C LYS A 5 6.577 -7.770 10.585 1.00 0.00 C ATOM 137 O LYS A 5 6.344 -6.806 11.285 1.00 0.00 O ATOM 138 CB LYS A 5 8.615 -9.201 10.792 1.00 0.00 C ATOM 139 CG LYS A 5 9.209 -10.431 11.481 1.00 0.00 C ATOM 140 CD LYS A 5 10.709 -10.508 11.187 1.00 0.00 C ATOM 141 CE LYS A 5 11.279 -11.801 11.775 1.00 0.00 C ATOM 142 NZ LYS A 5 11.106 -11.793 13.255 1.00 0.00 N ATOM 0 H LYS A 5 6.944 -10.904 10.129 1.00 0.00 H new ATOM 0 HA LYS A 5 7.052 -9.023 12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.710 -9.296 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.166 -8.307 11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.041 -10.375 12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.712 -11.334 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.881 -10.478 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.219 -9.645 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.771 -12.664 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.335 -11.893 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.730 -12.507 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.349 -10.853 13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.117 -12.013 13.490 1.00 0.00 H new ATOM 156 N GLY A 6 6.343 -7.744 9.300 1.00 0.00 N ATOM 157 CA GLY A 6 5.782 -6.513 8.677 1.00 0.00 C ATOM 158 C GLY A 6 4.368 -6.282 9.208 1.00 0.00 C ATOM 159 O GLY A 6 3.921 -5.161 9.342 1.00 0.00 O ATOM 0 H GLY A 6 6.515 -8.518 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.414 -5.655 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.764 -6.616 7.592 1.00 0.00 H new ATOM 163 N ALA A 7 3.661 -7.337 9.518 1.00 0.00 N ATOM 164 CA ALA A 7 2.279 -7.169 10.046 1.00 0.00 C ATOM 165 C ALA A 7 2.338 -6.273 11.278 1.00 0.00 C ATOM 166 O ALA A 7 1.516 -5.398 11.466 1.00 0.00 O ATOM 167 CB ALA A 7 1.707 -8.535 10.431 1.00 0.00 C ATOM 0 H ALA A 7 3.980 -8.302 9.428 1.00 0.00 H new ATOM 0 HA ALA A 7 1.640 -6.719 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.695 -8.410 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.683 -9.180 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.335 -8.989 11.198 1.00 0.00 H new ATOM 173 N THR A 8 3.323 -6.469 12.108 1.00 0.00 N ATOM 174 CA THR A 8 3.461 -5.616 13.312 1.00 0.00 C ATOM 175 C THR A 8 3.778 -4.198 12.854 1.00 0.00 C ATOM 176 O THR A 8 3.229 -3.229 13.334 1.00 0.00 O ATOM 177 CB THR A 8 4.617 -6.143 14.158 1.00 0.00 C ATOM 178 OG1 THR A 8 5.835 -5.974 13.445 1.00 0.00 O ATOM 179 CG2 THR A 8 4.400 -7.625 14.453 1.00 0.00 C ATOM 0 H THR A 8 4.040 -7.187 12.001 1.00 0.00 H new ATOM 0 HA THR A 8 2.543 -5.626 13.900 1.00 0.00 H new ATOM 0 HB THR A 8 4.663 -5.591 15.097 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.782 -6.450 12.590 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.226 -8.000 15.057 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.464 -7.755 14.997 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.355 -8.180 13.516 1.00 0.00 H new ATOM 187 N LEU A 9 4.663 -4.090 11.907 1.00 0.00 N ATOM 188 CA LEU A 9 5.044 -2.758 11.370 1.00 0.00 C ATOM 189 C LEU A 9 3.813 -2.077 10.769 1.00 0.00 C ATOM 190 O LEU A 9 3.549 -0.918 11.009 1.00 0.00 O ATOM 191 CB LEU A 9 6.093 -2.960 10.279 1.00 0.00 C ATOM 192 CG LEU A 9 7.332 -3.636 10.870 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.410 -3.726 9.797 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.867 -2.815 12.047 1.00 0.00 C ATOM 0 H LEU A 9 5.145 -4.879 11.476 1.00 0.00 H new ATOM 0 HA LEU A 9 5.444 -2.133 12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.682 -3.571 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.365 -2.000 9.841 1.00 0.00 H new ATOM 0 HG LEU A 9 7.064 -4.633 11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.296 -4.207 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.039 -4.312 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.667 -2.724 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.749 -3.304 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.134 -1.816 11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.099 -2.739 12.817 1.00 0.00 H new ATOM 206 N PHE A 10 3.059 -2.798 9.987 1.00 0.00 N ATOM 207 CA PHE A 10 1.842 -2.210 9.359 1.00 0.00 C ATOM 208 C PHE A 10 0.836 -1.822 10.447 1.00 0.00 C ATOM 209 O PHE A 10 0.281 -0.741 10.440 1.00 0.00 O ATOM 210 CB PHE A 10 1.210 -3.261 8.436 1.00 0.00 C ATOM 211 CG PHE A 10 0.072 -2.652 7.650 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.228 -2.677 8.167 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.317 -2.069 6.400 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.284 -2.120 7.435 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.739 -1.510 5.669 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.040 -1.535 6.186 1.00 0.00 C ATOM 0 H PHE A 10 3.234 -3.775 9.754 1.00 0.00 H new ATOM 0 HA PHE A 10 2.113 -1.322 8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.963 -3.655 7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.845 -4.101 9.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.417 -3.126 9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.320 -2.051 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.287 -2.142 7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.550 -1.059 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.854 -1.104 5.622 1.00 0.00 H new ATOM 226 N LYS A 11 0.588 -2.708 11.371 1.00 0.00 N ATOM 227 CA LYS A 11 -0.392 -2.414 12.456 1.00 0.00 C ATOM 228 C LYS A 11 0.072 -1.229 13.309 1.00 0.00 C ATOM 229 O LYS A 11 -0.724 -0.426 13.745 1.00 0.00 O ATOM 230 CB LYS A 11 -0.539 -3.650 13.347 1.00 0.00 C ATOM 231 CG LYS A 11 -1.647 -3.411 14.374 1.00 0.00 C ATOM 232 CD LYS A 11 -1.752 -4.621 15.304 1.00 0.00 C ATOM 233 CE LYS A 11 -2.963 -4.458 16.223 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.602 -3.571 17.366 1.00 0.00 N ATOM 0 H LYS A 11 1.024 -3.629 11.422 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.349 -2.158 12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.775 -4.523 12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.403 -3.859 13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.433 -2.512 14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.598 -3.245 13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.848 -5.535 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.843 -4.716 15.897 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.799 -4.033 15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.287 -5.431 16.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.425 -3.459 17.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.816 -3.995 17.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.313 -2.640 17.005 1.00 0.00 H new ATOM 248 N THR A 12 1.343 -1.127 13.575 1.00 0.00 N ATOM 249 CA THR A 12 1.831 -0.004 14.430 1.00 0.00 C ATOM 250 C THR A 12 2.213 1.213 13.583 1.00 0.00 C ATOM 251 O THR A 12 2.505 2.268 14.109 1.00 0.00 O ATOM 252 CB THR A 12 3.053 -0.469 15.224 1.00 0.00 C ATOM 253 OG1 THR A 12 4.120 -0.746 14.329 1.00 0.00 O ATOM 254 CG2 THR A 12 2.703 -1.733 16.011 1.00 0.00 C ATOM 0 H THR A 12 2.064 -1.767 13.241 1.00 0.00 H new ATOM 0 HA THR A 12 1.027 0.287 15.106 1.00 0.00 H new ATOM 0 HB THR A 12 3.355 0.315 15.918 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.961 -1.606 13.886 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.575 -2.063 16.576 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.885 -1.519 16.699 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.400 -2.520 15.320 1.00 0.00 H new ATOM 262 N ARG A 13 2.227 1.087 12.286 1.00 0.00 N ATOM 263 CA ARG A 13 2.608 2.256 11.442 1.00 0.00 C ATOM 264 C ARG A 13 1.746 2.307 10.184 1.00 0.00 C ATOM 265 O ARG A 13 2.119 2.906 9.197 1.00 0.00 O ATOM 266 CB ARG A 13 4.077 2.127 11.039 1.00 0.00 C ATOM 267 CG ARG A 13 4.950 2.129 12.295 1.00 0.00 C ATOM 268 CD ARG A 13 6.425 2.185 11.895 1.00 0.00 C ATOM 269 NE ARG A 13 7.276 1.988 13.102 1.00 0.00 N ATOM 270 CZ ARG A 13 8.496 1.543 12.974 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.971 1.271 11.790 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.241 1.371 14.032 1.00 0.00 N ATOM 0 H ARG A 13 1.994 0.235 11.776 1.00 0.00 H new ATOM 0 HA ARG A 13 2.454 3.171 12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.232 1.206 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.360 2.952 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.700 2.985 12.922 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.757 1.234 12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.641 1.415 11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.651 3.145 11.431 1.00 0.00 H new ATOM 0 HE ARG A 13 6.905 2.201 14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.389 1.406 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.925 0.923 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.869 1.584 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.195 1.023 13.933 1.00 0.00 H new ATOM 286 N CYS A 14 0.606 1.676 10.192 1.00 0.00 N ATOM 287 CA CYS A 14 -0.242 1.692 8.969 1.00 0.00 C ATOM 288 C CYS A 14 -1.599 1.049 9.270 1.00 0.00 C ATOM 289 O CYS A 14 -1.916 -0.005 8.760 1.00 0.00 O ATOM 290 CB CYS A 14 0.480 0.880 7.894 1.00 0.00 C ATOM 291 SG CYS A 14 -0.112 1.329 6.234 1.00 0.00 S ATOM 0 H CYS A 14 0.228 1.155 10.983 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.408 2.716 8.634 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.554 1.054 7.961 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.318 -0.184 8.067 1.00 0.00 H new ATOM 296 N LEU A 15 -2.408 1.667 10.087 1.00 0.00 N ATOM 297 CA LEU A 15 -3.739 1.068 10.397 1.00 0.00 C ATOM 298 C LEU A 15 -4.766 2.173 10.656 1.00 0.00 C ATOM 299 O LEU A 15 -5.939 2.019 10.377 1.00 0.00 O ATOM 300 CB LEU A 15 -3.629 0.166 11.634 1.00 0.00 C ATOM 301 CG LEU A 15 -3.280 0.997 12.875 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.254 0.085 14.101 1.00 0.00 C ATOM 303 CD2 LEU A 15 -1.904 1.642 12.694 1.00 0.00 C ATOM 0 H LEU A 15 -2.208 2.553 10.550 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.064 0.473 9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.571 -0.359 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.864 -0.594 11.471 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.029 1.777 13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.006 0.672 14.986 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.233 -0.375 14.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.504 -0.693 13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.659 2.232 13.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.153 0.864 12.557 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.918 2.290 11.818 1.00 0.00 H new ATOM 315 N GLN A 16 -4.339 3.281 11.193 1.00 0.00 N ATOM 316 CA GLN A 16 -5.295 4.388 11.474 1.00 0.00 C ATOM 317 C GLN A 16 -6.088 4.720 10.208 1.00 0.00 C ATOM 318 O GLN A 16 -7.232 5.123 10.271 1.00 0.00 O ATOM 319 CB GLN A 16 -4.520 5.625 11.935 1.00 0.00 C ATOM 320 CG GLN A 16 -3.620 6.122 10.799 1.00 0.00 C ATOM 321 CD GLN A 16 -2.793 7.311 11.289 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.780 7.136 11.937 1.00 0.00 O ATOM 323 NE2 GLN A 16 -3.183 8.524 11.004 1.00 0.00 N ATOM 0 H GLN A 16 -3.370 3.468 11.450 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.986 4.079 12.258 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.214 6.411 12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.917 5.383 12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.962 5.320 10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.226 6.415 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.033 8.672 10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.638 9.324 11.325 1.00 0.00 H new ATOM 332 N CYS A 17 -5.489 4.562 9.061 1.00 0.00 N ATOM 333 CA CYS A 17 -6.211 4.879 7.796 1.00 0.00 C ATOM 334 C CYS A 17 -6.714 3.590 7.138 1.00 0.00 C ATOM 335 O CYS A 17 -7.864 3.221 7.270 1.00 0.00 O ATOM 336 CB CYS A 17 -5.257 5.590 6.838 1.00 0.00 C ATOM 337 SG CYS A 17 -5.051 7.315 7.350 1.00 0.00 S ATOM 0 H CYS A 17 -4.532 4.228 8.944 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.062 5.521 8.023 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.291 5.085 6.830 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.648 5.546 5.821 1.00 0.00 H new ATOM 342 N HIS A 18 -5.861 2.911 6.420 1.00 0.00 N ATOM 343 CA HIS A 18 -6.285 1.655 5.739 1.00 0.00 C ATOM 344 C HIS A 18 -6.876 0.674 6.752 1.00 0.00 C ATOM 345 O HIS A 18 -7.824 -0.028 6.463 1.00 0.00 O ATOM 346 CB HIS A 18 -5.080 1.011 5.050 1.00 0.00 C ATOM 347 CG HIS A 18 -4.643 1.873 3.902 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.258 1.810 2.658 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.658 2.823 3.788 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.644 2.697 1.857 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.668 3.334 2.498 1.00 0.00 N ATOM 0 H HIS A 18 -4.886 3.173 6.276 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.045 1.899 4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.262 0.891 5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.341 0.015 4.693 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.034 1.201 2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.984 3.124 4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.909 2.871 0.825 1.00 0.00 H new ATOM 359 N THR A 19 -6.324 0.611 7.930 1.00 0.00 N ATOM 360 CA THR A 19 -6.857 -0.340 8.945 1.00 0.00 C ATOM 361 C THR A 19 -7.129 -1.685 8.267 1.00 0.00 C ATOM 362 O THR A 19 -8.199 -1.924 7.743 1.00 0.00 O ATOM 363 CB THR A 19 -8.158 0.217 9.533 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.160 1.633 9.415 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.262 -0.173 11.009 1.00 0.00 C ATOM 0 H THR A 19 -5.530 1.174 8.234 1.00 0.00 H new ATOM 0 HA THR A 19 -6.132 -0.474 9.748 1.00 0.00 H new ATOM 0 HB THR A 19 -9.008 -0.196 8.990 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.520 2.015 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.188 0.224 11.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.260 -1.259 11.099 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.413 0.238 11.555 1.00 0.00 H new ATOM 373 N VAL A 20 -6.162 -2.561 8.262 1.00 0.00 N ATOM 374 CA VAL A 20 -6.354 -3.882 7.608 1.00 0.00 C ATOM 375 C VAL A 20 -6.877 -4.886 8.633 1.00 0.00 C ATOM 376 O VAL A 20 -6.214 -5.839 8.989 1.00 0.00 O ATOM 377 CB VAL A 20 -5.019 -4.354 7.038 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.095 -5.835 6.670 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.698 -3.541 5.783 1.00 0.00 C ATOM 0 H VAL A 20 -5.245 -2.416 8.685 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.079 -3.796 6.799 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.240 -4.214 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.136 -6.159 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.329 -6.419 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.874 -5.985 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.745 -3.872 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.485 -3.687 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.634 -2.484 6.041 1.00 0.00 H new ATOM 389 N GLU A 21 -8.072 -4.677 9.104 1.00 0.00 N ATOM 390 CA GLU A 21 -8.661 -5.613 10.101 1.00 0.00 C ATOM 391 C GLU A 21 -9.088 -6.898 9.388 1.00 0.00 C ATOM 392 O GLU A 21 -9.763 -7.734 9.952 1.00 0.00 O ATOM 393 CB GLU A 21 -9.880 -4.963 10.757 1.00 0.00 C ATOM 394 CG GLU A 21 -9.451 -3.681 11.473 1.00 0.00 C ATOM 395 CD GLU A 21 -10.655 -3.072 12.195 1.00 0.00 C ATOM 396 OE1 GLU A 21 -11.756 -3.547 11.972 1.00 0.00 O ATOM 397 OE2 GLU A 21 -10.455 -2.139 12.956 1.00 0.00 O ATOM 0 H GLU A 21 -8.670 -3.894 8.841 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.922 -5.845 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.634 -4.736 10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.336 -5.653 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.657 -3.899 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.046 -2.969 10.754 1.00 0.00 H new ATOM 404 N LYS A 22 -8.706 -7.047 8.145 1.00 0.00 N ATOM 405 CA LYS A 22 -9.087 -8.268 7.374 1.00 0.00 C ATOM 406 C LYS A 22 -10.606 -8.307 7.216 1.00 0.00 C ATOM 407 O LYS A 22 -11.232 -9.335 7.380 1.00 0.00 O ATOM 408 CB LYS A 22 -8.610 -9.526 8.106 1.00 0.00 C ATOM 409 CG LYS A 22 -7.145 -9.355 8.512 1.00 0.00 C ATOM 410 CD LYS A 22 -7.029 -9.442 10.033 1.00 0.00 C ATOM 411 CE LYS A 22 -7.394 -10.854 10.497 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.353 -11.352 11.441 1.00 0.00 N ATOM 0 H LYS A 22 -8.143 -6.371 7.629 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.615 -8.236 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.225 -9.701 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.721 -10.398 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.534 -10.127 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.768 -8.394 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.014 -9.197 10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.691 -8.713 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.369 -10.847 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.471 -11.522 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.601 -12.312 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.431 -11.373 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.300 -10.720 12.265 1.00 0.00 H new ATOM 426 N GLY A 23 -11.197 -7.189 6.899 1.00 0.00 N ATOM 427 CA GLY A 23 -12.678 -7.141 6.727 1.00 0.00 C ATOM 428 C GLY A 23 -13.252 -6.020 7.594 1.00 0.00 C ATOM 429 O GLY A 23 -14.301 -6.162 8.192 1.00 0.00 O ATOM 0 H GLY A 23 -10.717 -6.302 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.929 -6.971 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.119 -8.097 7.009 1.00 0.00 H new ATOM 433 N GLY A 24 -12.572 -4.907 7.669 1.00 0.00 N ATOM 434 CA GLY A 24 -13.077 -3.776 8.500 1.00 0.00 C ATOM 435 C GLY A 24 -13.572 -2.648 7.592 1.00 0.00 C ATOM 436 O GLY A 24 -13.294 -2.624 6.409 1.00 0.00 O ATOM 0 H GLY A 24 -11.688 -4.732 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.887 -4.119 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.284 -3.409 9.152 1.00 0.00 H new ATOM 440 N PRO A 25 -14.300 -1.720 8.151 1.00 0.00 N ATOM 441 CA PRO A 25 -14.853 -0.556 7.399 1.00 0.00 C ATOM 442 C PRO A 25 -13.755 0.248 6.698 1.00 0.00 C ATOM 443 O PRO A 25 -12.593 0.159 7.043 1.00 0.00 O ATOM 444 CB PRO A 25 -15.545 0.299 8.468 1.00 0.00 C ATOM 445 CG PRO A 25 -15.073 -0.222 9.788 1.00 0.00 C ATOM 446 CD PRO A 25 -14.674 -1.679 9.568 1.00 0.00 C ATOM 0 HA PRO A 25 -15.531 -0.878 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.288 1.352 8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.629 0.224 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.227 0.360 10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.860 -0.145 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.843 -1.969 10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.498 -2.358 9.786 1.00 0.00 H new ATOM 454 N HIS A 26 -14.107 1.030 5.714 1.00 0.00 N ATOM 455 CA HIS A 26 -13.074 1.829 4.999 1.00 0.00 C ATOM 456 C HIS A 26 -13.023 3.242 5.581 1.00 0.00 C ATOM 457 O HIS A 26 -14.038 3.872 5.804 1.00 0.00 O ATOM 458 CB HIS A 26 -13.426 1.921 3.512 1.00 0.00 C ATOM 459 CG HIS A 26 -13.497 0.542 2.917 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.381 -0.096 2.394 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.544 -0.331 2.746 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.778 -1.298 1.937 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.085 -1.489 2.128 1.00 0.00 N ATOM 0 H HIS A 26 -15.062 1.149 5.376 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.106 1.342 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.381 2.430 3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.677 2.515 2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.565 -0.146 3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.121 -2.019 1.473 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.632 -2.312 1.874 1.00 0.00 H new ATOM 472 N LYS A 27 -11.845 3.747 5.814 1.00 0.00 N ATOM 473 CA LYS A 27 -11.715 5.121 6.368 1.00 0.00 C ATOM 474 C LYS A 27 -11.310 6.064 5.233 1.00 0.00 C ATOM 475 O LYS A 27 -11.725 5.897 4.103 1.00 0.00 O ATOM 476 CB LYS A 27 -10.645 5.132 7.461 1.00 0.00 C ATOM 477 CG LYS A 27 -11.079 4.216 8.607 1.00 0.00 C ATOM 478 CD LYS A 27 -10.065 4.310 9.749 1.00 0.00 C ATOM 479 CE LYS A 27 -10.432 3.306 10.842 1.00 0.00 C ATOM 480 NZ LYS A 27 -9.373 3.304 11.891 1.00 0.00 N ATOM 0 H LYS A 27 -10.963 3.264 5.644 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.662 5.445 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.691 4.797 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.496 6.147 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.069 4.503 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.153 3.187 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.061 4.106 9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.054 5.320 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.394 3.567 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.537 2.309 10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.078 2.326 12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.555 3.853 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.747 3.731 12.762 1.00 0.00 H new ATOM 494 N VAL A 28 -10.501 7.047 5.511 1.00 0.00 N ATOM 495 CA VAL A 28 -10.077 7.977 4.429 1.00 0.00 C ATOM 496 C VAL A 28 -9.433 7.166 3.306 1.00 0.00 C ATOM 497 O VAL A 28 -9.612 7.451 2.139 1.00 0.00 O ATOM 498 CB VAL A 28 -9.065 8.983 4.980 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.478 9.800 3.829 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.763 9.921 5.967 1.00 0.00 C ATOM 0 H VAL A 28 -10.117 7.246 6.435 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.943 8.517 4.047 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.264 8.448 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.757 10.517 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.980 9.132 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.278 10.334 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.042 10.638 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.565 10.455 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.180 9.339 6.789 1.00 0.00 H new ATOM 510 N GLY A 29 -8.685 6.152 3.653 1.00 0.00 N ATOM 511 CA GLY A 29 -8.030 5.312 2.612 1.00 0.00 C ATOM 512 C GLY A 29 -8.708 3.939 2.564 1.00 0.00 C ATOM 513 O GLY A 29 -9.354 3.524 3.505 1.00 0.00 O ATOM 0 H GLY A 29 -8.500 5.870 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.100 5.799 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.969 5.198 2.835 1.00 0.00 H new ATOM 517 N PRO A 30 -8.558 3.246 1.467 1.00 0.00 N ATOM 518 CA PRO A 30 -9.162 1.895 1.273 1.00 0.00 C ATOM 519 C PRO A 30 -8.638 0.865 2.278 1.00 0.00 C ATOM 520 O PRO A 30 -7.546 0.985 2.795 1.00 0.00 O ATOM 521 CB PRO A 30 -8.756 1.497 -0.151 1.00 0.00 C ATOM 522 CG PRO A 30 -7.620 2.395 -0.519 1.00 0.00 C ATOM 523 CD PRO A 30 -7.792 3.676 0.292 1.00 0.00 C ATOM 0 HA PRO A 30 -10.241 1.924 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.456 0.450 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.589 1.618 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.664 1.921 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.627 2.610 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.830 4.102 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.324 4.440 -0.275 1.00 0.00 H new ATOM 531 N ASN A 31 -9.409 -0.151 2.549 1.00 0.00 N ATOM 532 CA ASN A 31 -8.960 -1.199 3.509 1.00 0.00 C ATOM 533 C ASN A 31 -7.605 -1.747 3.058 1.00 0.00 C ATOM 534 O ASN A 31 -6.907 -2.396 3.811 1.00 0.00 O ATOM 535 CB ASN A 31 -9.984 -2.334 3.547 1.00 0.00 C ATOM 536 CG ASN A 31 -9.715 -3.227 4.760 1.00 0.00 C ATOM 537 OD1 ASN A 31 -8.796 -2.982 5.517 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.483 -4.258 4.980 1.00 0.00 N ATOM 0 H ASN A 31 -10.334 -0.302 2.146 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.867 -0.766 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.993 -1.925 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.926 -2.921 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.312 -4.858 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.254 -4.464 4.345 1.00 0.00 H new ATOM 545 N LEU A 32 -7.240 -1.501 1.826 1.00 0.00 N ATOM 546 CA LEU A 32 -5.939 -2.008 1.300 1.00 0.00 C ATOM 547 C LEU A 32 -5.973 -3.533 1.277 1.00 0.00 C ATOM 548 O LEU A 32 -5.050 -4.198 1.704 1.00 0.00 O ATOM 549 CB LEU A 32 -4.789 -1.512 2.194 1.00 0.00 C ATOM 550 CG LEU A 32 -3.433 -1.704 1.498 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.422 -0.973 0.159 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.333 -1.108 2.372 1.00 0.00 C ATOM 0 H LEU A 32 -7.793 -0.966 1.157 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.777 -1.636 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.935 -0.458 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.797 -2.055 3.139 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.267 -2.770 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.456 -1.116 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.211 -1.371 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.591 0.091 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.368 -1.241 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.521 -0.045 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.323 -1.612 3.338 1.00 0.00 H new ATOM 564 N HIS A 33 -7.044 -4.086 0.776 1.00 0.00 N ATOM 565 CA HIS A 33 -7.171 -5.565 0.710 1.00 0.00 C ATOM 566 C HIS A 33 -7.526 -5.986 -0.719 1.00 0.00 C ATOM 567 O HIS A 33 -7.539 -7.157 -1.041 1.00 0.00 O ATOM 568 CB HIS A 33 -8.282 -6.012 1.659 1.00 0.00 C ATOM 569 CG HIS A 33 -7.732 -7.004 2.642 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.741 -6.670 3.554 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.024 -8.324 2.868 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.473 -7.771 4.281 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.228 -8.804 3.902 1.00 0.00 N ATOM 0 H HIS A 33 -7.842 -3.569 0.407 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.227 -6.027 0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.693 -5.151 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.100 -6.459 1.094 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.297 -5.757 3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.759 -8.902 2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.739 -7.813 5.072 1.00 0.00 H new ATOM 582 N GLY A 34 -7.829 -5.041 -1.572 1.00 0.00 N ATOM 583 CA GLY A 34 -8.203 -5.391 -2.976 1.00 0.00 C ATOM 584 C GLY A 34 -7.362 -4.594 -3.981 1.00 0.00 C ATOM 585 O GLY A 34 -7.563 -4.691 -5.175 1.00 0.00 O ATOM 0 H GLY A 34 -7.834 -4.044 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.058 -6.459 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.261 -5.185 -3.137 1.00 0.00 H new ATOM 589 N ILE A 35 -6.422 -3.811 -3.524 1.00 0.00 N ATOM 590 CA ILE A 35 -5.588 -3.029 -4.485 1.00 0.00 C ATOM 591 C ILE A 35 -4.931 -3.992 -5.479 1.00 0.00 C ATOM 592 O ILE A 35 -4.679 -3.641 -6.614 1.00 0.00 O ATOM 593 CB ILE A 35 -4.520 -2.224 -3.715 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.215 -1.111 -2.913 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.505 -1.589 -4.680 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.238 0.044 -2.674 1.00 0.00 C ATOM 0 H ILE A 35 -6.196 -3.679 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.215 -2.327 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.987 -2.902 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.091 -0.753 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.568 -1.504 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.764 -1.028 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.007 -2.372 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.024 -0.916 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.736 0.830 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.376 -0.319 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.906 0.444 -3.632 1.00 0.00 H new ATOM 608 N PHE A 36 -4.654 -5.198 -5.070 1.00 0.00 N ATOM 609 CA PHE A 36 -4.014 -6.163 -6.010 1.00 0.00 C ATOM 610 C PHE A 36 -5.092 -7.057 -6.628 1.00 0.00 C ATOM 611 O PHE A 36 -5.908 -7.631 -5.934 1.00 0.00 O ATOM 612 CB PHE A 36 -3.015 -7.035 -5.246 1.00 0.00 C ATOM 613 CG PHE A 36 -1.968 -6.163 -4.599 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.850 -5.748 -5.330 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.116 -5.771 -3.262 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.122 -4.941 -4.725 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.145 -4.964 -2.658 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.027 -4.549 -3.389 1.00 0.00 C ATOM 0 H PHE A 36 -4.841 -5.557 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.494 -5.615 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.535 -7.620 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.542 -7.744 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.736 -6.050 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.979 -6.092 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.986 -4.621 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.259 -4.662 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.722 -3.926 -2.923 1.00 0.00 H new ATOM 628 N GLY A 37 -5.103 -7.185 -7.928 1.00 0.00 N ATOM 629 CA GLY A 37 -6.130 -8.045 -8.581 1.00 0.00 C ATOM 630 C GLY A 37 -6.384 -7.565 -10.013 1.00 0.00 C ATOM 631 O GLY A 37 -5.745 -8.006 -10.949 1.00 0.00 O ATOM 0 H GLY A 37 -4.447 -6.732 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.794 -9.082 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.057 -8.015 -8.009 1.00 0.00 H new ATOM 635 N ARG A 38 -7.317 -6.670 -10.191 1.00 0.00 N ATOM 636 CA ARG A 38 -7.624 -6.165 -11.561 1.00 0.00 C ATOM 637 C ARG A 38 -7.052 -4.758 -11.734 1.00 0.00 C ATOM 638 O ARG A 38 -6.232 -4.311 -10.956 1.00 0.00 O ATOM 639 CB ARG A 38 -9.142 -6.119 -11.759 1.00 0.00 C ATOM 640 CG ARG A 38 -9.732 -7.525 -11.619 1.00 0.00 C ATOM 641 CD ARG A 38 -9.509 -8.315 -12.913 1.00 0.00 C ATOM 642 NE ARG A 38 -10.225 -9.619 -12.826 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.498 -9.682 -13.105 1.00 0.00 C ATOM 644 NH1 ARG A 38 -12.145 -8.606 -13.458 1.00 0.00 N ATOM 645 NH2 ARG A 38 -12.126 -10.824 -13.030 1.00 0.00 N ATOM 0 H ARG A 38 -7.882 -6.265 -9.445 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.176 -6.832 -12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.593 -5.452 -11.024 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.376 -5.714 -12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.265 -8.043 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.798 -7.462 -11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.872 -7.744 -13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.444 -8.482 -13.071 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.721 -10.461 -12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.656 -7.713 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.140 -8.658 -13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.621 -11.666 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.121 -10.874 -13.248 1.00 0.00 H new ATOM 659 N HIS A 39 -7.478 -4.061 -12.753 1.00 0.00 N ATOM 660 CA HIS A 39 -6.963 -2.683 -12.985 1.00 0.00 C ATOM 661 C HIS A 39 -6.926 -1.937 -11.657 1.00 0.00 C ATOM 662 O HIS A 39 -7.440 -2.402 -10.661 1.00 0.00 O ATOM 663 CB HIS A 39 -7.885 -1.948 -13.960 1.00 0.00 C ATOM 664 CG HIS A 39 -7.989 -2.729 -15.240 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.902 -2.405 -16.234 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.304 -3.825 -15.704 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.744 -3.290 -17.236 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.784 -4.174 -16.961 1.00 0.00 N ATOM 0 H HIS A 39 -8.162 -4.388 -13.435 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.960 -2.732 -13.409 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.873 -1.822 -13.517 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.497 -0.950 -14.162 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.514 -4.337 -15.174 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.322 -3.285 -18.148 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.468 -4.945 -17.550 1.00 0.00 H new ATOM 677 N SER A 40 -6.319 -0.786 -11.624 1.00 0.00 N ATOM 678 CA SER A 40 -6.242 -0.035 -10.347 1.00 0.00 C ATOM 679 C SER A 40 -7.648 0.262 -9.824 1.00 0.00 C ATOM 680 O SER A 40 -8.614 0.260 -10.561 1.00 0.00 O ATOM 681 CB SER A 40 -5.493 1.275 -10.573 1.00 0.00 C ATOM 682 OG SER A 40 -6.361 2.209 -11.199 1.00 0.00 O ATOM 0 H SER A 40 -5.875 -0.335 -12.424 1.00 0.00 H new ATOM 0 HA SER A 40 -5.711 -0.639 -9.611 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.137 1.672 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.615 1.103 -11.196 1.00 0.00 H new ATOM 0 HG SER A 40 -5.847 2.772 -11.815 1.00 0.00 H new ATOM 688 N GLY A 41 -7.762 0.516 -8.548 1.00 0.00 N ATOM 689 CA GLY A 41 -9.097 0.812 -7.955 1.00 0.00 C ATOM 690 C GLY A 41 -9.979 -0.437 -8.027 1.00 0.00 C ATOM 691 O GLY A 41 -10.583 -0.721 -9.042 1.00 0.00 O ATOM 0 H GLY A 41 -6.984 0.531 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.983 1.130 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.570 1.635 -8.491 1.00 0.00 H new ATOM 695 N GLN A 42 -10.054 -1.190 -6.958 1.00 0.00 N ATOM 696 CA GLN A 42 -10.892 -2.427 -6.975 1.00 0.00 C ATOM 697 C GLN A 42 -11.696 -2.549 -5.674 1.00 0.00 C ATOM 698 O GLN A 42 -12.438 -3.492 -5.487 1.00 0.00 O ATOM 699 CB GLN A 42 -9.990 -3.657 -7.112 1.00 0.00 C ATOM 700 CG GLN A 42 -9.166 -3.559 -8.396 1.00 0.00 C ATOM 701 CD GLN A 42 -7.699 -3.313 -8.039 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.148 -2.174 -8.356 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -7.051 -4.164 -7.463 1.00 0.00 N flip ATOM 0 H GLN A 42 -9.573 -1.002 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.578 -2.367 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.328 -3.731 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.596 -4.563 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.262 -4.478 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.541 -2.748 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.483 -5.054 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.074 -3.988 -7.226 1.00 0.00 H new ATOM 712 N ALA A 43 -11.552 -1.622 -4.769 1.00 0.00 N ATOM 713 CA ALA A 43 -12.309 -1.723 -3.487 1.00 0.00 C ATOM 714 C ALA A 43 -13.810 -1.605 -3.762 1.00 0.00 C ATOM 715 O ALA A 43 -14.277 -0.625 -4.309 1.00 0.00 O ATOM 716 CB ALA A 43 -11.871 -0.599 -2.544 1.00 0.00 C ATOM 0 H ALA A 43 -10.949 -0.805 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.103 -2.688 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.424 -0.673 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.803 -0.688 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.073 0.366 -3.009 1.00 0.00 H new ATOM 722 N GLU A 44 -14.570 -2.598 -3.382 1.00 0.00 N ATOM 723 CA GLU A 44 -16.042 -2.548 -3.617 1.00 0.00 C ATOM 724 C GLU A 44 -16.662 -1.445 -2.757 1.00 0.00 C ATOM 725 O GLU A 44 -17.588 -0.773 -3.165 1.00 0.00 O ATOM 726 CB GLU A 44 -16.664 -3.896 -3.243 1.00 0.00 C ATOM 727 CG GLU A 44 -16.136 -4.981 -4.185 1.00 0.00 C ATOM 728 CD GLU A 44 -16.808 -6.315 -3.855 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.495 -6.376 -2.849 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.626 -7.250 -4.616 1.00 0.00 O ATOM 0 H GLU A 44 -14.234 -3.442 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.233 -2.337 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.421 -4.146 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.750 -3.838 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.337 -4.707 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.055 -5.071 -4.083 1.00 0.00 H new ATOM 737 N GLY A 45 -16.157 -1.253 -1.569 1.00 0.00 N ATOM 738 CA GLY A 45 -16.715 -0.191 -0.683 1.00 0.00 C ATOM 739 C GLY A 45 -15.978 1.120 -0.950 1.00 0.00 C ATOM 740 O GLY A 45 -16.532 2.056 -1.492 1.00 0.00 O ATOM 0 H GLY A 45 -15.382 -1.785 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.782 -0.068 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.606 -0.478 0.363 1.00 0.00 H new ATOM 744 N TYR A 46 -14.730 1.191 -0.582 1.00 0.00 N ATOM 745 CA TYR A 46 -13.953 2.436 -0.825 1.00 0.00 C ATOM 746 C TYR A 46 -13.926 2.736 -2.324 1.00 0.00 C ATOM 747 O TYR A 46 -13.966 1.841 -3.145 1.00 0.00 O ATOM 748 CB TYR A 46 -12.522 2.254 -0.318 1.00 0.00 C ATOM 749 CG TYR A 46 -11.705 3.456 -0.714 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.644 4.577 0.120 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.010 3.445 -1.926 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.886 5.689 -0.261 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.253 4.553 -2.310 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.190 5.678 -1.478 1.00 0.00 C ATOM 755 OH TYR A 46 -9.443 6.775 -1.855 1.00 0.00 O ATOM 0 H TYR A 46 -14.215 0.440 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.423 3.265 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.519 2.137 0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.086 1.348 -0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.181 4.584 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.059 2.577 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.837 6.555 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.717 4.543 -3.247 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.999 6.590 -2.709 1.00 0.00 H new ATOM 765 N SER A 47 -13.863 3.990 -2.686 1.00 0.00 N ATOM 766 CA SER A 47 -13.836 4.357 -4.131 1.00 0.00 C ATOM 767 C SER A 47 -12.563 5.151 -4.439 1.00 0.00 C ATOM 768 O SER A 47 -12.043 5.858 -3.599 1.00 0.00 O ATOM 769 CB SER A 47 -15.059 5.213 -4.459 1.00 0.00 C ATOM 770 OG SER A 47 -16.239 4.488 -4.138 1.00 0.00 O ATOM 0 H SER A 47 -13.829 4.779 -2.040 1.00 0.00 H new ATOM 0 HA SER A 47 -13.850 3.449 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.026 6.145 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.058 5.479 -5.516 1.00 0.00 H new ATOM 0 HG SER A 47 -17.025 5.035 -4.345 1.00 0.00 H new ATOM 776 N TYR A 48 -12.064 5.041 -5.640 1.00 0.00 N ATOM 777 CA TYR A 48 -10.830 5.790 -6.016 1.00 0.00 C ATOM 778 C TYR A 48 -11.203 6.904 -6.989 1.00 0.00 C ATOM 779 O TYR A 48 -12.229 6.854 -7.639 1.00 0.00 O ATOM 780 CB TYR A 48 -9.837 4.849 -6.701 1.00 0.00 C ATOM 781 CG TYR A 48 -9.453 3.734 -5.762 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.343 2.681 -5.525 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.205 3.752 -5.127 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.985 1.645 -4.655 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.846 2.716 -4.258 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.736 1.662 -4.022 1.00 0.00 C ATOM 787 OH TYR A 48 -8.383 0.640 -3.165 1.00 0.00 O ATOM 0 H TYR A 48 -12.460 4.462 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.374 6.207 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.280 4.436 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.948 5.403 -7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.306 2.668 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.519 4.566 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.672 0.832 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.883 2.730 -3.770 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.484 0.805 -2.812 1.00 0.00 H new ATOM 797 N THR A 49 -10.380 7.907 -7.103 1.00 0.00 N ATOM 798 CA THR A 49 -10.699 9.012 -8.046 1.00 0.00 C ATOM 799 C THR A 49 -10.601 8.475 -9.472 1.00 0.00 C ATOM 800 O THR A 49 -9.955 7.479 -9.725 1.00 0.00 O ATOM 801 CB THR A 49 -9.696 10.157 -7.876 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.793 10.151 -8.973 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.913 9.974 -6.576 1.00 0.00 C ATOM 0 H THR A 49 -9.506 8.009 -6.588 1.00 0.00 H new ATOM 0 HA THR A 49 -11.703 9.385 -7.843 1.00 0.00 H new ATOM 0 HB THR A 49 -10.232 11.105 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.453 11.058 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.202 10.792 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.603 9.973 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.375 9.027 -6.606 1.00 0.00 H new ATOM 811 N ASP A 50 -11.230 9.125 -10.406 1.00 0.00 N ATOM 812 CA ASP A 50 -11.159 8.642 -11.811 1.00 0.00 C ATOM 813 C ASP A 50 -9.692 8.525 -12.225 1.00 0.00 C ATOM 814 O ASP A 50 -9.320 7.661 -12.991 1.00 0.00 O ATOM 815 CB ASP A 50 -11.873 9.635 -12.730 1.00 0.00 C ATOM 816 CG ASP A 50 -13.374 9.616 -12.434 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.808 8.720 -11.730 1.00 0.00 O ATOM 818 OD2 ASP A 50 -14.064 10.499 -12.918 1.00 0.00 O ATOM 0 H ASP A 50 -11.788 9.966 -10.260 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.642 7.668 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.474 10.638 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.694 9.375 -13.773 1.00 0.00 H new ATOM 823 N ALA A 51 -8.858 9.396 -11.728 1.00 0.00 N ATOM 824 CA ALA A 51 -7.416 9.349 -12.101 1.00 0.00 C ATOM 825 C ALA A 51 -6.879 7.918 -11.988 1.00 0.00 C ATOM 826 O ALA A 51 -6.370 7.370 -12.943 1.00 0.00 O ATOM 827 CB ALA A 51 -6.624 10.271 -11.172 1.00 0.00 C ATOM 0 H ALA A 51 -9.113 10.140 -11.078 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.306 9.681 -13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.568 10.239 -11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.993 11.292 -11.271 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.745 9.940 -10.141 1.00 0.00 H new ATOM 833 N ASN A 52 -6.987 7.303 -10.843 1.00 0.00 N ATOM 834 CA ASN A 52 -6.471 5.906 -10.708 1.00 0.00 C ATOM 835 C ASN A 52 -7.141 5.012 -11.756 1.00 0.00 C ATOM 836 O ASN A 52 -6.509 4.175 -12.368 1.00 0.00 O ATOM 837 CB ASN A 52 -6.783 5.374 -9.306 1.00 0.00 C ATOM 838 CG ASN A 52 -6.011 4.073 -9.077 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.894 3.932 -9.532 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.560 3.111 -8.384 1.00 0.00 N ATOM 0 H ASN A 52 -7.405 7.700 -10.001 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.392 5.902 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.505 6.113 -8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.854 5.199 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.050 2.242 -8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.498 3.229 -8.002 1.00 0.00 H new ATOM 847 N ILE A 53 -8.417 5.182 -11.962 1.00 0.00 N ATOM 848 CA ILE A 53 -9.140 4.341 -12.962 1.00 0.00 C ATOM 849 C ILE A 53 -8.681 4.666 -14.390 1.00 0.00 C ATOM 850 O ILE A 53 -8.503 3.784 -15.206 1.00 0.00 O ATOM 851 CB ILE A 53 -10.643 4.601 -12.847 1.00 0.00 C ATOM 852 CG1 ILE A 53 -11.109 4.268 -11.427 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.392 3.720 -13.847 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.581 4.653 -11.269 1.00 0.00 C ATOM 0 H ILE A 53 -8.995 5.870 -11.479 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.919 3.294 -12.756 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.848 5.650 -13.063 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.977 3.204 -11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.502 4.805 -10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.463 3.906 -13.765 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.060 3.954 -14.858 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.188 2.671 -13.632 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.913 4.416 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.699 5.722 -11.448 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.182 4.096 -11.988 1.00 0.00 H new ATOM 866 N LYS A 54 -8.505 5.922 -14.709 1.00 0.00 N ATOM 867 CA LYS A 54 -8.080 6.288 -16.091 1.00 0.00 C ATOM 868 C LYS A 54 -6.744 5.627 -16.437 1.00 0.00 C ATOM 869 O LYS A 54 -6.535 5.182 -17.547 1.00 0.00 O ATOM 870 CB LYS A 54 -7.939 7.806 -16.194 1.00 0.00 C ATOM 871 CG LYS A 54 -9.320 8.458 -16.107 1.00 0.00 C ATOM 872 CD LYS A 54 -9.186 9.969 -16.310 1.00 0.00 C ATOM 873 CE LYS A 54 -10.549 10.634 -16.113 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.628 9.680 -16.495 1.00 0.00 N ATOM 0 H LYS A 54 -8.637 6.708 -14.073 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.836 5.937 -16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.300 8.177 -15.393 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.458 8.073 -17.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.981 8.036 -16.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.772 8.249 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.464 10.379 -15.603 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.808 10.180 -17.310 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.670 10.939 -15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.616 11.537 -16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.539 10.180 -16.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.422 9.280 -17.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.677 8.913 -15.795 1.00 0.00 H new ATOM 888 N LYS A 55 -5.840 5.558 -15.503 1.00 0.00 N ATOM 889 CA LYS A 55 -4.524 4.923 -15.799 1.00 0.00 C ATOM 890 C LYS A 55 -4.744 3.466 -16.203 1.00 0.00 C ATOM 891 O LYS A 55 -4.027 2.926 -17.022 1.00 0.00 O ATOM 892 CB LYS A 55 -3.628 4.981 -14.558 1.00 0.00 C ATOM 893 CG LYS A 55 -3.433 6.436 -14.114 1.00 0.00 C ATOM 894 CD LYS A 55 -2.644 7.212 -15.175 1.00 0.00 C ATOM 895 CE LYS A 55 -2.103 8.506 -14.565 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.627 8.394 -14.391 1.00 0.00 N ATOM 0 H LYS A 55 -5.952 5.911 -14.553 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.040 5.460 -16.615 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.076 4.403 -13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.661 4.527 -14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.402 6.908 -13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.903 6.465 -13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.822 6.603 -15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.286 7.439 -16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.341 9.352 -15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.580 8.695 -13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.190 9.328 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.416 8.048 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.244 7.728 -15.092 1.00 0.00 H new ATOM 910 N ASN A 56 -5.722 2.819 -15.632 1.00 0.00 N ATOM 911 CA ASN A 56 -5.971 1.396 -15.987 1.00 0.00 C ATOM 912 C ASN A 56 -4.675 0.610 -15.807 1.00 0.00 C ATOM 913 O ASN A 56 -4.247 -0.113 -16.685 1.00 0.00 O ATOM 914 CB ASN A 56 -6.432 1.294 -17.442 1.00 0.00 C ATOM 915 CG ASN A 56 -7.062 -0.081 -17.684 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.801 -1.063 -16.862 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -7.799 -0.264 -18.633 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.357 3.213 -14.938 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.748 0.988 -15.341 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.154 2.080 -17.662 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.586 1.441 -18.114 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.003 0.502 -19.275 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.213 -1.183 -18.787 1.00 0.00 H new ATOM 924 N VAL A 57 -4.045 0.757 -14.674 1.00 0.00 N ATOM 925 CA VAL A 57 -2.771 0.035 -14.424 1.00 0.00 C ATOM 926 C VAL A 57 -2.970 -0.964 -13.288 1.00 0.00 C ATOM 927 O VAL A 57 -3.689 -0.710 -12.341 1.00 0.00 O ATOM 928 CB VAL A 57 -1.685 1.039 -14.034 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.067 1.719 -12.719 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.354 0.305 -13.858 1.00 0.00 C ATOM 0 H VAL A 57 -4.362 1.351 -13.907 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.469 -0.495 -15.327 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.587 1.791 -14.817 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.293 2.434 -12.441 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.016 2.241 -12.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.164 0.967 -11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.421 1.019 -13.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.454 -0.446 -13.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.080 -0.182 -14.794 1.00 0.00 H new ATOM 940 N LEU A 58 -2.344 -2.101 -13.379 1.00 0.00 N ATOM 941 CA LEU A 58 -2.498 -3.125 -12.314 1.00 0.00 C ATOM 942 C LEU A 58 -1.508 -2.846 -11.187 1.00 0.00 C ATOM 943 O LEU A 58 -0.334 -2.652 -11.416 1.00 0.00 O ATOM 944 CB LEU A 58 -2.220 -4.509 -12.903 1.00 0.00 C ATOM 945 CG LEU A 58 -2.325 -5.570 -11.806 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.729 -5.545 -11.209 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.054 -6.951 -12.408 1.00 0.00 C ATOM 0 H LEU A 58 -1.730 -2.366 -14.149 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.513 -3.090 -11.919 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.932 -4.725 -13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.226 -4.531 -13.349 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.593 -5.361 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.805 -6.301 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.926 -4.561 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.460 -5.755 -11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.128 -7.709 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.788 -7.159 -13.187 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.053 -6.970 -12.838 1.00 0.00 H new ATOM 959 N TRP A 59 -1.973 -2.838 -9.969 1.00 0.00 N ATOM 960 CA TRP A 59 -1.056 -2.586 -8.825 1.00 0.00 C ATOM 961 C TRP A 59 -0.265 -3.864 -8.532 1.00 0.00 C ATOM 962 O TRP A 59 -0.815 -4.946 -8.487 1.00 0.00 O ATOM 963 CB TRP A 59 -1.876 -2.193 -7.595 1.00 0.00 C ATOM 964 CG TRP A 59 -2.231 -0.742 -7.663 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.481 -0.253 -7.806 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.349 0.409 -7.580 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.424 1.134 -7.831 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.127 1.587 -7.688 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.040 0.543 -7.423 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.543 2.851 -7.641 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.630 1.812 -7.374 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.159 2.964 -7.481 1.00 0.00 C ATOM 0 H TRP A 59 -2.949 -2.995 -9.717 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.368 -1.777 -9.070 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.782 -2.796 -7.543 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.307 -2.395 -6.688 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.380 -0.845 -7.888 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.236 1.741 -7.941 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.658 -0.339 -7.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.155 3.737 -7.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.699 1.903 -7.253 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.302 3.940 -7.440 1.00 0.00 H new ATOM 983 N ASP A 60 1.020 -3.748 -8.337 1.00 0.00 N ATOM 984 CA ASP A 60 1.851 -4.953 -8.054 1.00 0.00 C ATOM 985 C ASP A 60 3.006 -4.561 -7.135 1.00 0.00 C ATOM 986 O ASP A 60 3.189 -3.404 -6.816 1.00 0.00 O ATOM 987 CB ASP A 60 2.416 -5.508 -9.366 1.00 0.00 C ATOM 988 CG ASP A 60 1.274 -6.020 -10.247 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.310 -6.528 -9.701 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.389 -5.905 -11.456 1.00 0.00 O ATOM 0 H ASP A 60 1.533 -2.866 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 60 1.236 -5.714 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.972 -4.731 -9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.117 -6.316 -9.158 1.00 0.00 H new ATOM 995 N GLU A 61 3.791 -5.510 -6.710 1.00 0.00 N ATOM 996 CA GLU A 61 4.932 -5.173 -5.816 1.00 0.00 C ATOM 997 C GLU A 61 5.862 -4.195 -6.533 1.00 0.00 C ATOM 998 O GLU A 61 6.385 -3.272 -5.941 1.00 0.00 O ATOM 999 CB GLU A 61 5.707 -6.445 -5.470 1.00 0.00 C ATOM 1000 CG GLU A 61 4.815 -7.389 -4.666 1.00 0.00 C ATOM 1001 CD GLU A 61 5.615 -8.632 -4.275 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.702 -8.802 -4.803 1.00 0.00 O ATOM 1003 OE2 GLU A 61 5.131 -9.390 -3.452 1.00 0.00 O ATOM 0 H GLU A 61 3.693 -6.499 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 61 4.554 -4.719 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.044 -6.937 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.599 -6.194 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.445 -6.885 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.944 -7.674 -5.255 1.00 0.00 H new ATOM 1010 N ASN A 62 6.068 -4.385 -7.808 1.00 0.00 N ATOM 1011 CA ASN A 62 6.958 -3.459 -8.562 1.00 0.00 C ATOM 1012 C ASN A 62 6.343 -2.061 -8.570 1.00 0.00 C ATOM 1013 O ASN A 62 7.010 -1.073 -8.337 1.00 0.00 O ATOM 1014 CB ASN A 62 7.110 -3.957 -10.000 1.00 0.00 C ATOM 1015 CG ASN A 62 7.805 -5.320 -9.998 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.393 -6.225 -10.697 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.849 -5.506 -9.239 1.00 0.00 N ATOM 0 H ASN A 62 5.659 -5.140 -8.358 1.00 0.00 H new ATOM 0 HA ASN A 62 7.937 -3.424 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.132 -4.037 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.690 -3.242 -10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.320 -6.411 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.195 -4.747 -8.652 1.00 0.00 H new ATOM 1024 N ASN A 63 5.069 -1.976 -8.830 1.00 0.00 N ATOM 1025 CA ASN A 63 4.396 -0.647 -8.846 1.00 0.00 C ATOM 1026 C ASN A 63 4.480 -0.030 -7.451 1.00 0.00 C ATOM 1027 O ASN A 63 4.627 1.165 -7.295 1.00 0.00 O ATOM 1028 CB ASN A 63 2.930 -0.821 -9.243 1.00 0.00 C ATOM 1029 CG ASN A 63 2.850 -1.464 -10.630 1.00 0.00 C ATOM 1030 OD1 ASN A 63 1.911 -2.338 -10.882 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 3.649 -1.167 -11.496 1.00 0.00 N flip ATOM 0 H ASN A 63 4.463 -2.771 -9.033 1.00 0.00 H new ATOM 0 HA ASN A 63 4.887 0.007 -9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.415 -1.444 -8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.426 0.146 -9.249 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.382 -0.485 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.586 -1.599 -12.418 1.00 0.00 H new ATOM 1038 N MET A 64 4.391 -0.844 -6.434 1.00 0.00 N ATOM 1039 CA MET A 64 4.468 -0.315 -5.044 1.00 0.00 C ATOM 1040 C MET A 64 5.808 0.396 -4.842 1.00 0.00 C ATOM 1041 O MET A 64 5.882 1.422 -4.195 1.00 0.00 O ATOM 1042 CB MET A 64 4.364 -1.479 -4.053 1.00 0.00 C ATOM 1043 CG MET A 64 2.922 -1.994 -3.963 1.00 0.00 C ATOM 1044 SD MET A 64 1.989 -1.508 -5.435 1.00 0.00 S ATOM 1045 CE MET A 64 0.504 -0.932 -4.575 1.00 0.00 C ATOM 0 H MET A 64 4.268 -1.854 -6.507 1.00 0.00 H new ATOM 0 HA MET A 64 3.651 0.387 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.024 -2.288 -4.365 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.701 -1.155 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.922 -3.080 -3.866 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.441 -1.594 -3.071 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.382 -1.272 -5.112 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.491 -1.334 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.507 0.157 -4.533 1.00 0.00 H new ATOM 1055 N SER A 65 6.868 -0.135 -5.390 1.00 0.00 N ATOM 1056 CA SER A 65 8.194 0.525 -5.222 1.00 0.00 C ATOM 1057 C SER A 65 8.140 1.925 -5.832 1.00 0.00 C ATOM 1058 O SER A 65 8.612 2.885 -5.255 1.00 0.00 O ATOM 1059 CB SER A 65 9.268 -0.301 -5.929 1.00 0.00 C ATOM 1060 OG SER A 65 9.227 -1.638 -5.447 1.00 0.00 O ATOM 0 H SER A 65 6.873 -0.992 -5.943 1.00 0.00 H new ATOM 0 HA SER A 65 8.436 0.598 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.104 -0.286 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.252 0.132 -5.750 1.00 0.00 H new ATOM 0 HG SER A 65 9.914 -2.170 -5.900 1.00 0.00 H new ATOM 1066 N GLU A 66 7.559 2.049 -6.991 1.00 0.00 N ATOM 1067 CA GLU A 66 7.459 3.382 -7.640 1.00 0.00 C ATOM 1068 C GLU A 66 6.497 4.260 -6.837 1.00 0.00 C ATOM 1069 O GLU A 66 6.644 5.463 -6.768 1.00 0.00 O ATOM 1070 CB GLU A 66 6.930 3.210 -9.063 1.00 0.00 C ATOM 1071 CG GLU A 66 7.947 2.428 -9.896 1.00 0.00 C ATOM 1072 CD GLU A 66 7.448 2.312 -11.338 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.310 2.676 -11.580 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.214 1.864 -12.174 1.00 0.00 O ATOM 0 H GLU A 66 7.147 1.279 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 66 8.441 3.854 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.976 2.683 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.747 4.185 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.914 2.931 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.095 1.435 -9.470 1.00 0.00 H new ATOM 1081 N TYR A 67 5.508 3.659 -6.237 1.00 0.00 N ATOM 1082 CA TYR A 67 4.523 4.441 -5.440 1.00 0.00 C ATOM 1083 C TYR A 67 5.230 5.161 -4.288 1.00 0.00 C ATOM 1084 O TYR A 67 4.996 6.326 -4.038 1.00 0.00 O ATOM 1085 CB TYR A 67 3.466 3.477 -4.892 1.00 0.00 C ATOM 1086 CG TYR A 67 2.506 4.195 -3.969 1.00 0.00 C ATOM 1087 CD1 TYR A 67 1.837 5.353 -4.391 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.282 3.690 -2.685 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.947 6.001 -3.525 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.394 4.337 -1.821 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.726 5.493 -2.240 1.00 0.00 C ATOM 1092 OH TYR A 67 -0.150 6.132 -1.387 1.00 0.00 O ATOM 0 H TYR A 67 5.339 2.653 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 67 4.048 5.192 -6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.915 3.028 -5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.954 2.664 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.008 5.745 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.796 2.798 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.431 6.893 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.223 3.944 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.435 5.510 -0.685 1.00 0.00 H new ATOM 1102 N LEU A 68 6.094 4.484 -3.583 1.00 0.00 N ATOM 1103 CA LEU A 68 6.810 5.142 -2.453 1.00 0.00 C ATOM 1104 C LEU A 68 7.934 6.034 -2.986 1.00 0.00 C ATOM 1105 O LEU A 68 8.140 7.137 -2.517 1.00 0.00 O ATOM 1106 CB LEU A 68 7.401 4.070 -1.535 1.00 0.00 C ATOM 1107 CG LEU A 68 6.336 3.606 -0.541 1.00 0.00 C ATOM 1108 CD1 LEU A 68 5.077 3.180 -1.295 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.868 2.417 0.262 1.00 0.00 C ATOM 0 H LEU A 68 6.335 3.505 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 68 6.105 5.758 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.755 3.225 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.263 4.469 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 68 6.096 4.427 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.321 2.850 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.693 4.024 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.318 2.362 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.108 2.087 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.111 1.599 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.764 2.717 0.805 1.00 0.00 H new ATOM 1121 N THR A 69 8.672 5.560 -3.948 1.00 0.00 N ATOM 1122 CA THR A 69 9.796 6.374 -4.498 1.00 0.00 C ATOM 1123 C THR A 69 9.262 7.506 -5.384 1.00 0.00 C ATOM 1124 O THR A 69 9.814 8.587 -5.417 1.00 0.00 O ATOM 1125 CB THR A 69 10.714 5.474 -5.328 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.011 5.011 -6.474 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.160 4.279 -4.485 1.00 0.00 C ATOM 0 H THR A 69 8.548 4.644 -4.379 1.00 0.00 H new ATOM 0 HA THR A 69 10.350 6.811 -3.667 1.00 0.00 H new ATOM 0 HB THR A 69 11.590 6.041 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.529 4.188 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.814 3.639 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.699 4.634 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.286 3.710 -4.169 1.00 0.00 H new ATOM 1135 N ASN A 70 8.203 7.269 -6.109 1.00 0.00 N ATOM 1136 CA ASN A 70 7.660 8.340 -6.994 1.00 0.00 C ATOM 1137 C ASN A 70 6.130 8.272 -7.028 1.00 0.00 C ATOM 1138 O ASN A 70 5.553 7.370 -7.601 1.00 0.00 O ATOM 1139 CB ASN A 70 8.206 8.151 -8.411 1.00 0.00 C ATOM 1140 CG ASN A 70 7.955 9.419 -9.229 1.00 0.00 C ATOM 1141 OD1 ASN A 70 7.700 10.471 -8.679 1.00 0.00 O ATOM 1142 ND2 ASN A 70 8.017 9.363 -10.532 1.00 0.00 N ATOM 0 H ASN A 70 7.693 6.386 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 70 7.965 9.311 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.274 7.935 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.724 7.297 -8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.851 10.203 -11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.231 8.480 -10.995 1.00 0.00 H new ATOM 1149 N HIS A 71 5.470 9.223 -6.424 1.00 0.00 N ATOM 1150 CA HIS A 71 3.983 9.215 -6.429 1.00 0.00 C ATOM 1151 C HIS A 71 3.468 10.652 -6.538 1.00 0.00 C ATOM 1152 O HIS A 71 3.951 11.545 -5.872 1.00 0.00 O ATOM 1153 CB HIS A 71 3.474 8.587 -5.133 1.00 0.00 C ATOM 1154 CG HIS A 71 4.391 8.957 -3.999 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.737 8.759 -3.803 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 3.939 9.627 -2.870 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.110 9.297 -2.577 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 4.994 9.807 -2.055 1.00 0.00 N flip ATOM 0 H HIS A 71 5.898 10.004 -5.928 1.00 0.00 H new ATOM 0 HA HIS A 71 3.624 8.635 -7.279 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.462 8.932 -4.923 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.426 7.503 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.925 9.946 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.097 9.301 -2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.946 10.275 -1.150 1.00 0.00 H new ATOM 1167 N ALA A 72 2.488 10.879 -7.372 1.00 0.00 N ATOM 1168 CA ALA A 72 1.937 12.256 -7.527 1.00 0.00 C ATOM 1169 C ALA A 72 1.156 12.341 -8.841 1.00 0.00 C ATOM 1170 O ALA A 72 0.037 11.886 -8.934 1.00 0.00 O ATOM 1171 CB ALA A 72 3.078 13.276 -7.536 1.00 0.00 C ATOM 0 H ALA A 72 2.045 10.168 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 72 1.272 12.477 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.668 14.280 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.629 13.213 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.750 13.063 -8.367 1.00 0.00 H new ATOM 1177 N LYS A 73 1.734 12.917 -9.860 1.00 0.00 N ATOM 1178 CA LYS A 73 1.013 13.021 -11.162 1.00 0.00 C ATOM 1179 C LYS A 73 0.661 11.617 -11.662 1.00 0.00 C ATOM 1180 O LYS A 73 -0.350 11.407 -12.302 1.00 0.00 O ATOM 1181 CB LYS A 73 1.909 13.717 -12.189 1.00 0.00 C ATOM 1182 CG LYS A 73 2.168 15.159 -11.747 1.00 0.00 C ATOM 1183 CD LYS A 73 2.964 15.889 -12.829 1.00 0.00 C ATOM 1184 CE LYS A 73 3.326 17.293 -12.338 1.00 0.00 C ATOM 1185 NZ LYS A 73 2.631 18.308 -13.179 1.00 0.00 N ATOM 0 H LYS A 73 2.671 13.319 -9.848 1.00 0.00 H new ATOM 0 HA LYS A 73 0.100 13.600 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.853 13.180 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.433 13.706 -13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.223 15.671 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.719 15.169 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.869 15.331 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.378 15.953 -13.746 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.036 17.411 -11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.405 17.441 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.877 19.262 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.928 18.200 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.602 18.171 -13.109 1.00 0.00 H new ATOM 1199 N TYR A 74 1.494 10.659 -11.372 1.00 0.00 N ATOM 1200 CA TYR A 74 1.230 9.262 -11.823 1.00 0.00 C ATOM 1201 C TYR A 74 -0.142 8.790 -11.325 1.00 0.00 C ATOM 1202 O TYR A 74 -0.898 8.179 -12.053 1.00 0.00 O ATOM 1203 CB TYR A 74 2.327 8.361 -11.258 1.00 0.00 C ATOM 1204 CG TYR A 74 1.867 6.926 -11.253 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.286 6.364 -12.394 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.027 6.158 -10.096 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.864 5.028 -12.377 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.607 4.826 -10.076 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.026 4.258 -11.217 1.00 0.00 C ATOM 1210 OH TYR A 74 0.611 2.943 -11.199 1.00 0.00 O ATOM 0 H TYR A 74 2.354 10.783 -10.838 1.00 0.00 H new ATOM 0 HA TYR A 74 1.229 9.219 -12.912 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.233 8.459 -11.857 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.579 8.674 -10.245 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.163 6.959 -13.287 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.476 6.595 -9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.414 4.592 -13.257 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.730 4.234 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 74 0.797 2.553 -10.319 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.465 9.066 -10.091 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.786 8.634 -9.539 1.00 0.00 C ATOM 1222 C ILE A 75 -2.575 9.871 -9.100 1.00 0.00 C ATOM 1223 O ILE A 75 -2.020 10.936 -8.935 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.542 7.728 -8.329 1.00 0.00 C ATOM 1225 CG1 ILE A 75 -0.144 8.003 -7.778 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.640 6.256 -8.747 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.024 7.285 -6.440 1.00 0.00 C ATOM 0 H ILE A 75 0.130 9.574 -9.437 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.351 8.093 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.293 7.932 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.612 7.660 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.004 9.075 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.465 5.619 -7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.634 6.057 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.891 6.044 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.021 7.480 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.723 7.650 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.106 6.212 -6.584 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.862 9.738 -8.903 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.728 10.856 -8.468 1.00 0.00 C ATOM 1241 C PRO A 76 -3.977 11.852 -7.578 1.00 0.00 C ATOM 1242 O PRO A 76 -3.064 11.494 -6.861 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.838 10.152 -7.676 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.782 8.694 -8.053 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.650 8.518 -9.070 1.00 0.00 C ATOM 0 HA PRO A 76 -5.096 11.446 -9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.689 10.280 -6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.813 10.576 -7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.603 8.078 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.732 8.373 -8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.059 7.625 -8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.032 8.421 -10.086 1.00 0.00 H new ATOM 1253 N GLY A 77 -4.350 13.102 -7.624 1.00 0.00 N ATOM 1254 CA GLY A 77 -3.655 14.122 -6.786 1.00 0.00 C ATOM 1255 C GLY A 77 -3.947 13.865 -5.306 1.00 0.00 C ATOM 1256 O GLY A 77 -4.000 14.778 -4.506 1.00 0.00 O ATOM 0 H GLY A 77 -5.107 13.462 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.581 14.083 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.988 15.122 -7.063 1.00 0.00 H new ATOM 1260 N THR A 78 -4.139 12.629 -4.934 1.00 0.00 N ATOM 1261 CA THR A 78 -4.430 12.316 -3.509 1.00 0.00 C ATOM 1262 C THR A 78 -3.168 12.511 -2.665 1.00 0.00 C ATOM 1263 O THR A 78 -2.105 12.030 -3.002 1.00 0.00 O ATOM 1264 CB THR A 78 -4.885 10.859 -3.394 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.594 10.681 -2.176 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.663 9.938 -3.418 1.00 0.00 C ATOM 0 H THR A 78 -4.107 11.822 -5.557 1.00 0.00 H new ATOM 0 HA THR A 78 -5.214 12.982 -3.150 1.00 0.00 H new ATOM 0 HB THR A 78 -5.537 10.613 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.316 10.032 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.988 8.901 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.122 10.076 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.008 10.180 -2.581 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.282 13.196 -1.562 1.00 0.00 N ATOM 1275 CA LYS A 79 -2.094 13.402 -0.689 1.00 0.00 C ATOM 1276 C LYS A 79 -2.132 12.361 0.430 1.00 0.00 C ATOM 1277 O LYS A 79 -3.152 12.156 1.056 1.00 0.00 O ATOM 1278 CB LYS A 79 -2.134 14.808 -0.086 1.00 0.00 C ATOM 1279 CG LYS A 79 -2.009 15.846 -1.203 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.928 17.246 -0.592 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.920 18.291 -1.710 1.00 0.00 C ATOM 1282 NZ LYS A 79 -3.296 18.437 -2.263 1.00 0.00 N ATOM 0 H LYS A 79 -4.146 13.622 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.178 13.295 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.066 14.955 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.323 14.931 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.120 15.647 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.866 15.779 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.776 17.414 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.026 17.339 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.568 19.248 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.230 17.991 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.347 19.297 -2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.525 17.608 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.979 18.507 -1.481 1.00 0.00 H new ATOM 1296 N MET A 80 -1.036 11.694 0.679 1.00 0.00 N ATOM 1297 CA MET A 80 -1.023 10.657 1.751 1.00 0.00 C ATOM 1298 C MET A 80 -0.106 11.102 2.893 1.00 0.00 C ATOM 1299 O MET A 80 0.995 11.570 2.677 1.00 0.00 O ATOM 1300 CB MET A 80 -0.528 9.332 1.160 1.00 0.00 C ATOM 1301 CG MET A 80 -0.867 8.178 2.108 1.00 0.00 C ATOM 1302 SD MET A 80 -0.843 6.616 1.190 1.00 0.00 S ATOM 1303 CE MET A 80 0.943 6.334 1.238 1.00 0.00 C ATOM 0 H MET A 80 -0.151 11.822 0.187 1.00 0.00 H new ATOM 0 HA MET A 80 -2.030 10.523 2.146 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.990 9.163 0.187 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.549 9.376 0.998 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.148 8.142 2.926 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.849 8.336 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.175 5.388 0.750 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.453 7.145 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.278 6.299 2.275 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.562 10.965 4.109 1.00 0.00 N ATOM 1314 CA ALA A 81 0.264 11.384 5.278 1.00 0.00 C ATOM 1315 C ALA A 81 1.531 10.529 5.364 1.00 0.00 C ATOM 1316 O ALA A 81 2.561 10.979 5.825 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.553 11.211 6.560 1.00 0.00 C ATOM 0 H ALA A 81 -1.476 10.579 4.344 1.00 0.00 H new ATOM 0 HA ALA A 81 0.549 12.429 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.047 11.516 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.450 11.828 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.839 10.165 6.671 1.00 0.00 H new ATOM 1323 N PHE A 82 1.466 9.300 4.934 1.00 0.00 N ATOM 1324 CA PHE A 82 2.670 8.424 5.005 1.00 0.00 C ATOM 1325 C PHE A 82 3.383 8.449 3.651 1.00 0.00 C ATOM 1326 O PHE A 82 2.777 8.248 2.617 1.00 0.00 O ATOM 1327 CB PHE A 82 2.230 6.995 5.334 1.00 0.00 C ATOM 1328 CG PHE A 82 3.416 6.174 5.790 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.759 6.146 7.148 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.163 5.436 4.864 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.846 5.378 7.580 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.254 4.669 5.298 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.593 4.641 6.658 1.00 0.00 C ATOM 0 H PHE A 82 0.633 8.864 4.537 1.00 0.00 H new ATOM 0 HA PHE A 82 3.349 8.780 5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.469 7.012 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.776 6.535 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.184 6.717 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.899 5.457 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.108 5.355 8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.833 4.100 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.432 4.049 6.993 1.00 0.00 H new ATOM 1343 N GLY A 83 4.664 8.704 3.646 1.00 0.00 N ATOM 1344 CA GLY A 83 5.410 8.749 2.354 1.00 0.00 C ATOM 1345 C GLY A 83 6.742 8.014 2.505 1.00 0.00 C ATOM 1346 O GLY A 83 7.795 8.557 2.239 1.00 0.00 O ATOM 0 H GLY A 83 5.226 8.883 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.817 8.289 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.585 9.784 2.060 1.00 0.00 H new ATOM 1350 N GLY A 84 6.703 6.785 2.936 1.00 0.00 N ATOM 1351 CA GLY A 84 7.967 6.018 3.108 1.00 0.00 C ATOM 1352 C GLY A 84 8.509 6.250 4.518 1.00 0.00 C ATOM 1353 O GLY A 84 7.965 7.023 5.281 1.00 0.00 O ATOM 0 H GLY A 84 5.851 6.279 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.786 4.955 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.701 6.334 2.367 1.00 0.00 H new ATOM 1357 N LEU A 85 9.575 5.587 4.874 1.00 0.00 N ATOM 1358 CA LEU A 85 10.140 5.776 6.237 1.00 0.00 C ATOM 1359 C LEU A 85 11.661 5.608 6.191 1.00 0.00 C ATOM 1360 O LEU A 85 12.198 4.953 5.319 1.00 0.00 O ATOM 1361 CB LEU A 85 9.526 4.754 7.202 1.00 0.00 C ATOM 1362 CG LEU A 85 9.655 3.334 6.638 1.00 0.00 C ATOM 1363 CD1 LEU A 85 9.201 2.332 7.698 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.774 3.173 5.395 1.00 0.00 C ATOM 0 H LEU A 85 10.077 4.925 4.282 1.00 0.00 H new ATOM 0 HA LEU A 85 9.903 6.780 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.025 4.814 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.475 4.990 7.370 1.00 0.00 H new ATOM 0 HG LEU A 85 10.695 3.154 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.290 1.320 7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.827 2.432 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.162 2.528 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.876 2.160 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.733 3.357 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.086 3.888 4.633 1.00 0.00 H new ATOM 1376 N LYS A 86 12.359 6.205 7.118 1.00 0.00 N ATOM 1377 CA LYS A 86 13.846 6.097 7.126 1.00 0.00 C ATOM 1378 C LYS A 86 14.266 4.626 7.186 1.00 0.00 C ATOM 1379 O LYS A 86 15.263 4.236 6.612 1.00 0.00 O ATOM 1380 CB LYS A 86 14.402 6.834 8.346 1.00 0.00 C ATOM 1381 CG LYS A 86 14.094 8.327 8.226 1.00 0.00 C ATOM 1382 CD LYS A 86 14.751 9.080 9.384 1.00 0.00 C ATOM 1383 CE LYS A 86 14.343 10.554 9.332 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.890 10.678 9.636 1.00 0.00 N ATOM 0 H LYS A 86 11.962 6.765 7.873 1.00 0.00 H new ATOM 0 HA LYS A 86 14.241 6.543 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.960 6.433 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.478 6.679 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.463 8.710 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.016 8.489 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.449 8.641 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.835 8.990 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.926 11.129 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.556 10.967 8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.685 11.643 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.338 10.481 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.631 9.996 10.378 1.00 0.00 H new ATOM 1398 N LYS A 87 13.523 3.805 7.878 1.00 0.00 N ATOM 1399 CA LYS A 87 13.899 2.366 7.966 1.00 0.00 C ATOM 1400 C LYS A 87 13.600 1.680 6.632 1.00 0.00 C ATOM 1401 O LYS A 87 12.520 1.167 6.413 1.00 0.00 O ATOM 1402 CB LYS A 87 13.092 1.696 9.079 1.00 0.00 C ATOM 1403 CG LYS A 87 13.458 2.326 10.425 1.00 0.00 C ATOM 1404 CD LYS A 87 12.745 1.578 11.552 1.00 0.00 C ATOM 1405 CE LYS A 87 13.005 2.288 12.881 1.00 0.00 C ATOM 1406 NZ LYS A 87 12.893 1.308 13.998 1.00 0.00 N ATOM 0 H LYS A 87 12.677 4.067 8.383 1.00 0.00 H new ATOM 0 HA LYS A 87 14.963 2.280 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.025 1.812 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.298 0.626 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.537 2.287 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.172 3.378 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.674 1.536 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.101 0.549 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.997 2.739 12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.288 3.097 13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.663 1.811 14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.141 0.622 13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.797 0.806 14.111 1.00 0.00 H new ATOM 1420 N GLU A 88 14.550 1.669 5.737 1.00 0.00 N ATOM 1421 CA GLU A 88 14.324 1.019 4.415 1.00 0.00 C ATOM 1422 C GLU A 88 14.153 -0.491 4.599 1.00 0.00 C ATOM 1423 O GLU A 88 13.378 -1.124 3.911 1.00 0.00 O ATOM 1424 CB GLU A 88 15.526 1.286 3.506 1.00 0.00 C ATOM 1425 CG GLU A 88 15.623 2.785 3.207 1.00 0.00 C ATOM 1426 CD GLU A 88 14.377 3.237 2.442 1.00 0.00 C ATOM 1427 OE1 GLU A 88 13.700 2.383 1.893 1.00 0.00 O ATOM 1428 OE2 GLU A 88 14.124 4.430 2.414 1.00 0.00 O ATOM 0 H GLU A 88 15.474 2.082 5.864 1.00 0.00 H new ATOM 0 HA GLU A 88 13.421 1.430 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.442 0.941 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.423 0.726 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.715 3.346 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.518 2.992 2.620 1.00 0.00 H new ATOM 1435 N LYS A 89 14.871 -1.076 5.519 1.00 0.00 N ATOM 1436 CA LYS A 89 14.745 -2.546 5.735 1.00 0.00 C ATOM 1437 C LYS A 89 13.303 -2.887 6.108 1.00 0.00 C ATOM 1438 O LYS A 89 12.714 -3.809 5.577 1.00 0.00 O ATOM 1439 CB LYS A 89 15.680 -2.977 6.866 1.00 0.00 C ATOM 1440 CG LYS A 89 15.648 -4.501 7.002 1.00 0.00 C ATOM 1441 CD LYS A 89 16.533 -4.927 8.177 1.00 0.00 C ATOM 1442 CE LYS A 89 16.617 -6.453 8.224 1.00 0.00 C ATOM 1443 NZ LYS A 89 15.246 -7.023 8.361 1.00 0.00 N ATOM 0 H LYS A 89 15.537 -0.602 6.129 1.00 0.00 H new ATOM 0 HA LYS A 89 15.016 -3.071 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.696 -2.641 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.374 -2.511 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.625 -4.841 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.999 -4.967 6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.530 -4.500 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.123 -4.546 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.090 -6.830 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.239 -6.768 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.311 -8.011 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.708 -6.470 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.761 -6.986 7.442 1.00 0.00 H new ATOM 1457 N ASP A 90 12.728 -2.147 7.012 1.00 0.00 N ATOM 1458 CA ASP A 90 11.324 -2.420 7.415 1.00 0.00 C ATOM 1459 C ASP A 90 10.400 -2.203 6.216 1.00 0.00 C ATOM 1460 O ASP A 90 9.433 -2.914 6.026 1.00 0.00 O ATOM 1461 CB ASP A 90 10.929 -1.467 8.544 1.00 0.00 C ATOM 1462 CG ASP A 90 11.737 -1.801 9.800 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.376 -2.839 9.810 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.700 -1.013 10.730 1.00 0.00 O ATOM 0 H ASP A 90 13.172 -1.363 7.490 1.00 0.00 H new ATOM 0 HA ASP A 90 11.235 -3.450 7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.113 -0.435 8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.862 -1.554 8.751 1.00 0.00 H new ATOM 1469 N ARG A 91 10.691 -1.221 5.409 1.00 0.00 N ATOM 1470 CA ARG A 91 9.832 -0.947 4.224 1.00 0.00 C ATOM 1471 C ARG A 91 9.745 -2.195 3.345 1.00 0.00 C ATOM 1472 O ARG A 91 8.695 -2.532 2.837 1.00 0.00 O ATOM 1473 CB ARG A 91 10.437 0.203 3.416 1.00 0.00 C ATOM 1474 CG ARG A 91 9.511 0.556 2.251 1.00 0.00 C ATOM 1475 CD ARG A 91 10.175 1.620 1.376 1.00 0.00 C ATOM 1476 NE ARG A 91 10.415 2.849 2.184 1.00 0.00 N ATOM 1477 CZ ARG A 91 10.618 3.992 1.587 1.00 0.00 C ATOM 1478 NH1 ARG A 91 10.613 4.059 0.284 1.00 0.00 N ATOM 1479 NH2 ARG A 91 10.825 5.069 2.295 1.00 0.00 N ATOM 0 H ARG A 91 11.489 -0.595 5.520 1.00 0.00 H new ATOM 0 HA ARG A 91 8.831 -0.675 4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.581 1.074 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.419 -0.082 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.297 -0.334 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.557 0.924 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.118 1.243 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.539 1.852 0.522 1.00 0.00 H new ATOM 0 HE ARG A 91 10.421 2.797 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.450 3.218 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.772 4.953 -0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.828 5.017 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.984 5.963 1.830 1.00 0.00 H new ATOM 1493 N ASN A 92 10.837 -2.879 3.153 1.00 0.00 N ATOM 1494 CA ASN A 92 10.808 -4.097 2.299 1.00 0.00 C ATOM 1495 C ASN A 92 9.849 -5.125 2.900 1.00 0.00 C ATOM 1496 O ASN A 92 9.007 -5.676 2.219 1.00 0.00 O ATOM 1497 CB ASN A 92 12.215 -4.691 2.229 1.00 0.00 C ATOM 1498 CG ASN A 92 13.147 -3.715 1.509 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.695 -2.818 0.825 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.438 -3.853 1.635 1.00 0.00 N ATOM 0 H ASN A 92 11.748 -2.647 3.550 1.00 0.00 H new ATOM 0 HA ASN A 92 10.468 -3.834 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.587 -4.891 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 92 12.193 -5.645 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.069 -3.208 1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.817 -4.606 2.209 1.00 0.00 H new ATOM 1507 N ASP A 93 9.962 -5.379 4.171 1.00 0.00 N ATOM 1508 CA ASP A 93 9.054 -6.363 4.818 1.00 0.00 C ATOM 1509 C ASP A 93 7.617 -5.848 4.744 1.00 0.00 C ATOM 1510 O ASP A 93 6.680 -6.605 4.587 1.00 0.00 O ATOM 1511 CB ASP A 93 9.463 -6.539 6.280 1.00 0.00 C ATOM 1512 CG ASP A 93 10.841 -7.199 6.350 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.292 -7.695 5.330 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.422 -7.200 7.423 1.00 0.00 O ATOM 0 H ASP A 93 10.646 -4.947 4.792 1.00 0.00 H new ATOM 0 HA ASP A 93 9.121 -7.322 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.486 -5.571 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.728 -7.151 6.803 1.00 0.00 H new ATOM 1519 N LEU A 94 7.442 -4.563 4.868 1.00 0.00 N ATOM 1520 CA LEU A 94 6.071 -3.983 4.817 1.00 0.00 C ATOM 1521 C LEU A 94 5.405 -4.341 3.492 1.00 0.00 C ATOM 1522 O LEU A 94 4.250 -4.716 3.445 1.00 0.00 O ATOM 1523 CB LEU A 94 6.181 -2.464 4.927 1.00 0.00 C ATOM 1524 CG LEU A 94 4.792 -1.853 5.108 1.00 0.00 C ATOM 1525 CD1 LEU A 94 4.186 -2.335 6.425 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.911 -0.330 5.138 1.00 0.00 C ATOM 0 H LEU A 94 8.193 -3.886 5.003 1.00 0.00 H new ATOM 0 HA LEU A 94 5.473 -4.382 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.818 -2.197 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.652 -2.059 4.031 1.00 0.00 H new ATOM 0 HG LEU A 94 4.152 -2.158 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.196 -1.898 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.104 -3.422 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.826 -2.030 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.922 0.110 5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.552 -0.031 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.344 0.020 4.201 1.00 0.00 H new ATOM 1538 N ILE A 95 6.126 -4.225 2.415 1.00 0.00 N ATOM 1539 CA ILE A 95 5.543 -4.555 1.088 1.00 0.00 C ATOM 1540 C ILE A 95 5.045 -6.000 1.091 1.00 0.00 C ATOM 1541 O ILE A 95 3.979 -6.302 0.591 1.00 0.00 O ATOM 1542 CB ILE A 95 6.617 -4.382 0.016 1.00 0.00 C ATOM 1543 CG1 ILE A 95 7.073 -2.923 -0.020 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.040 -4.767 -1.341 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.260 -2.782 -0.975 1.00 0.00 C ATOM 0 H ILE A 95 7.097 -3.915 2.396 1.00 0.00 H new ATOM 0 HA ILE A 95 4.705 -3.890 0.878 1.00 0.00 H new ATOM 0 HB ILE A 95 7.469 -5.022 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.253 -2.283 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.356 -2.595 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.804 -4.645 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.714 -5.807 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.189 -4.125 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.585 -1.742 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.081 -3.410 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.961 -3.093 -1.976 1.00 0.00 H new ATOM 1557 N THR A 96 5.809 -6.894 1.648 1.00 0.00 N ATOM 1558 CA THR A 96 5.382 -8.322 1.682 1.00 0.00 C ATOM 1559 C THR A 96 4.050 -8.443 2.429 1.00 0.00 C ATOM 1560 O THR A 96 3.177 -9.193 2.042 1.00 0.00 O ATOM 1561 CB THR A 96 6.448 -9.152 2.401 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.715 -8.900 1.812 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.112 -10.638 2.273 1.00 0.00 C ATOM 0 H THR A 96 6.711 -6.700 2.082 1.00 0.00 H new ATOM 0 HA THR A 96 5.258 -8.689 0.663 1.00 0.00 H new ATOM 0 HB THR A 96 6.474 -8.877 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.417 -9.003 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.872 -11.228 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.138 -10.831 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.086 -10.916 1.219 1.00 0.00 H new ATOM 1571 N TYR A 97 3.892 -7.716 3.502 1.00 0.00 N ATOM 1572 CA TYR A 97 2.620 -7.796 4.275 1.00 0.00 C ATOM 1573 C TYR A 97 1.438 -7.385 3.395 1.00 0.00 C ATOM 1574 O TYR A 97 0.383 -7.984 3.443 1.00 0.00 O ATOM 1575 CB TYR A 97 2.694 -6.869 5.489 1.00 0.00 C ATOM 1576 CG TYR A 97 1.401 -6.965 6.263 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.197 -8.020 7.159 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.405 -5.998 6.082 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.003 -8.110 7.873 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.795 -6.087 6.797 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.999 -7.143 7.692 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.183 -7.231 8.397 1.00 0.00 O ATOM 0 H TYR A 97 4.588 -7.071 3.876 1.00 0.00 H new ATOM 0 HA TYR A 97 2.477 -8.824 4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.534 -7.148 6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.865 -5.841 5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.966 -8.765 7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.563 -5.183 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.161 -8.925 8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.563 -5.341 6.658 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.765 -6.480 8.155 1.00 0.00 H new ATOM 1592 N LEU A 98 1.596 -6.367 2.592 1.00 0.00 N ATOM 1593 CA LEU A 98 0.470 -5.932 1.725 1.00 0.00 C ATOM 1594 C LEU A 98 0.027 -7.096 0.844 1.00 0.00 C ATOM 1595 O LEU A 98 -1.148 -7.289 0.602 1.00 0.00 O ATOM 1596 CB LEU A 98 0.920 -4.761 0.852 1.00 0.00 C ATOM 1597 CG LEU A 98 1.308 -3.577 1.740 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.736 -2.401 0.862 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.104 -3.158 2.589 1.00 0.00 C ATOM 0 H LEU A 98 2.453 -5.822 2.501 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.367 -5.614 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.768 -5.059 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.118 -4.472 0.173 1.00 0.00 H new ATOM 0 HG LEU A 98 2.132 -3.869 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.013 -1.557 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.591 -2.694 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.910 -2.112 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.381 -2.315 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.718 -2.867 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.208 -3.994 3.215 1.00 0.00 H new ATOM 1611 N LYS A 99 0.948 -7.888 0.374 1.00 0.00 N ATOM 1612 CA LYS A 99 0.551 -9.044 -0.472 1.00 0.00 C ATOM 1613 C LYS A 99 -0.403 -9.923 0.333 1.00 0.00 C ATOM 1614 O LYS A 99 -1.405 -10.395 -0.165 1.00 0.00 O ATOM 1615 CB LYS A 99 1.788 -9.860 -0.853 1.00 0.00 C ATOM 1616 CG LYS A 99 1.394 -10.938 -1.866 1.00 0.00 C ATOM 1617 CD LYS A 99 2.467 -12.029 -1.899 1.00 0.00 C ATOM 1618 CE LYS A 99 3.749 -11.466 -2.512 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.740 -12.565 -2.688 1.00 0.00 N ATOM 0 H LYS A 99 1.950 -7.786 0.537 1.00 0.00 H new ATOM 0 HA LYS A 99 0.067 -8.688 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.551 -9.208 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.221 -10.321 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.430 -11.370 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.280 -10.496 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.663 -12.392 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.117 -12.881 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.531 -11.001 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.162 -10.689 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.612 -12.182 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.956 -12.989 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.345 -13.291 -3.319 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.097 -10.139 1.583 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.981 -10.979 2.436 1.00 0.00 C ATOM 1635 C LYS A 100 -2.355 -10.318 2.557 1.00 0.00 C ATOM 1636 O LYS A 100 -3.367 -10.984 2.654 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.360 -11.127 3.828 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.195 -12.107 4.655 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.518 -12.341 6.007 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.577 -11.061 6.842 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.414 -11.401 8.284 1.00 0.00 N ATOM 0 H LYS A 100 0.730 -9.768 2.051 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.092 -11.964 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.666 -11.486 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.319 -10.158 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.199 -11.710 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.301 -13.051 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.013 -13.155 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.519 -12.642 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.208 -10.373 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.528 -10.553 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.957 -10.729 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.763 -12.366 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.592 -11.346 8.542 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.400 -9.013 2.563 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.711 -8.318 2.694 1.00 0.00 C ATOM 1657 C ALA A 101 -4.624 -8.709 1.529 1.00 0.00 C ATOM 1658 O ALA A 101 -5.822 -8.830 1.686 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.492 -6.803 2.691 1.00 0.00 C ATOM 0 H ALA A 101 -1.588 -8.401 2.483 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.181 -8.613 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.452 -6.296 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.851 -6.526 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.017 -6.506 1.756 1.00 0.00 H new ATOM 1665 N THR A 102 -4.076 -8.909 0.362 1.00 0.00 N ATOM 1666 CA THR A 102 -4.930 -9.293 -0.797 1.00 0.00 C ATOM 1667 C THR A 102 -5.491 -10.699 -0.573 1.00 0.00 C ATOM 1668 O THR A 102 -6.586 -11.015 -0.995 1.00 0.00 O ATOM 1669 CB THR A 102 -4.105 -9.258 -2.090 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.934 -8.827 -3.159 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.553 -10.651 -2.403 1.00 0.00 C ATOM 0 H THR A 102 -3.080 -8.824 0.161 1.00 0.00 H new ATOM 0 HA THR A 102 -5.755 -8.586 -0.887 1.00 0.00 H new ATOM 0 HB THR A 102 -3.271 -8.568 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.728 -9.348 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.969 -10.613 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.916 -10.983 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.380 -11.351 -2.527 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.750 -11.546 0.087 1.00 0.00 N ATOM 1680 CA GLU A 103 -5.244 -12.930 0.336 1.00 0.00 C ATOM 1681 C GLU A 103 -6.527 -12.873 1.167 1.00 0.00 C ATOM 1682 O GLU A 103 -6.503 -13.015 2.374 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.179 -13.722 1.097 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.624 -15.181 1.228 1.00 0.00 C ATOM 1685 CD GLU A 103 -3.609 -15.951 2.075 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -2.655 -15.337 2.525 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -3.802 -17.141 2.258 1.00 0.00 O ATOM 0 H GLU A 103 -3.825 -11.340 0.464 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.450 -13.419 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.225 -13.667 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.024 -13.288 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.611 -15.231 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.710 -15.636 0.241 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.351 4.846 1.889 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.653 4.651 -1.227 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.066 2.499 1.060 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.099 4.995 5.025 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.655 7.190 2.696 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.940 3.820 0.275 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.577 3.859 -0.945 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.963 2.968 -1.896 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.012 2.293 -1.217 1.00 0.00 C HETATM 1704 C4A HEC A 104 -0.961 2.875 0.100 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.349 1.030 -1.647 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.087 3.052 -3.379 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.734 4.440 -3.917 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.834 4.914 -4.868 1.00 0.00 C HETATM 1709 O1A HEC A 104 -3.390 4.079 -5.563 1.00 0.00 O HETATM 1710 O2A HEC A 104 -3.104 6.104 -4.885 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.886 3.949 2.837 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.016 2.999 2.345 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.953 2.591 3.342 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.582 3.206 4.507 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.504 4.106 4.154 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.291 1.974 3.058 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.951 2.767 5.902 1.00 0.00 C HETATM 1718 CBB HEC A 104 2.430 2.395 6.063 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.779 5.868 3.500 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.151 5.821 4.722 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.726 6.761 5.651 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.797 7.304 5.029 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.777 6.802 3.676 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.062 7.298 6.872 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.922 8.023 5.690 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.690 9.532 5.795 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.822 5.729 0.943 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.679 6.697 1.418 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.606 7.131 0.403 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.390 6.336 -0.670 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.243 5.525 -0.352 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.360 8.416 0.400 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.310 6.146 -1.826 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.626 6.422 -3.166 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.318 7.597 -3.859 1.00 0.00 C HETATM 1736 O1D HEC A 104 -6.498 7.526 -5.065 1.00 0.00 O HETATM 1737 O2D HEC A 104 -6.655 8.548 -3.174 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.991 8.470 1.287 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.658 9.250 0.403 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.983 8.470 -0.493 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.813 6.475 7.543 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.150 7.824 6.589 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.736 7.988 7.379 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.153 1.041 2.511 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.889 2.661 2.459 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.805 1.771 3.998 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.099 0.248 -1.768 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.162 1.192 -2.596 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.375 0.724 -0.892 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -4.572 6.649 -3.008 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -5.670 5.535 -3.799 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.789 9.722 6.378 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.571 9.952 4.796 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.545 9.998 6.285 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 2.674 1.573 5.390 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 3.051 3.258 5.821 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 2.618 2.090 7.092 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.624 5.144 -3.092 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.777 4.407 -4.438 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.692 5.125 -1.819 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.169 6.808 -1.716 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.433 2.311 -3.838 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.107 2.801 -3.670 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.392 7.951 2.955 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.700 5.045 6.038 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.669 1.742 0.789 1.00 0.00 H new HETATM 0 HHA HEC A 104 -4.077 4.582 -2.229 1.00 0.00 H new