USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 883 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 Set 1.1: A 67 TYR OH : rot -122:sc= 0.0259 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.236 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 171:sc= 0.815 (180deg=0.0847) USER MOD Set 2.2: A 63 ASN : amide:sc= -1.41! K(o=0.95!,f=-0.74) USER MOD Set 2.3: A 74 TYR OH : rot 127:sc= 1.54 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+ 161:sc= 1.26 (180deg=0.916) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.174 USER MOD Single : A -2 LYS NZ :NH3+ -115:sc= 1.25 (180deg=0.483) USER MOD Single : A -5 THR N :NH3+ -175:sc= 0.916 (180deg=0.716) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.998 K(o=1,f=-0.024) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0.758 (180deg=0.654) USER MOD Single : A 26 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.33 (180deg=0.844) USER MOD Single : A 31 ASN : amide:sc= 2.51 K(o=2.5,f=-6.7!) USER MOD Single : A 33 HIS : no HE2:sc= 0.277 K(o=0.28,f=-3!) USER MOD Single : A 39 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.34) USER MOD Single : A 40 SER OG : rot 93:sc= 0.846 USER MOD Single : A 42 GLN : amide:sc= 1.14 K(o=1.1,f=-6.3!) USER MOD Single : A 46 TYR OH : rot -156:sc= 1.24 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 164:sc= 1.34 USER MOD Single : A 49 THR OG1 : rot 160:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.107 F(o=-0.63,f=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 0.474 (180deg=-0.656!) USER MOD Single : A 56 ASN : amide:sc= 0.904 K(o=0.9,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= -1.75! C(o=-1.8!,f=-7.1!) USER MOD Single : A 64 MET CE :methyl -167:sc= -0.243 (180deg=-0.808) USER MOD Single : A 65 SER OG : rot -45:sc= 0.444 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.367 USER MOD Single : A 70 ASN : amide:sc= 0.38 K(o=0.38,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= 1.41 (180deg=0.939) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0.769 (180deg=0.67) USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= -0.21! (180deg=-0.455!) USER MOD Single : A 80 MET CE :methyl 177:sc= -0.299 (180deg=-0.308) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.614 K(o=-0.61,f=-3) USER MOD Single : A 96 THR OG1 : rot 83:sc= 1.78 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -122:sc= 0.248 (180deg=-2.44!) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.12) USER MOD Single : A 102 THR OG1 : rot -33:sc= 0.412 USER MOD Single : A 104 HEC O2A : rot -90:sc= 0.361 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -8.321 -11.745 11.907 1.00 0.00 N ATOM 2 CA THR A -5 -8.029 -11.383 10.507 1.00 0.00 C ATOM 3 C THR A -5 -8.917 -10.254 10.028 1.00 0.00 C ATOM 4 O THR A -5 -8.401 -9.234 9.590 1.00 0.00 O ATOM 5 CB THR A -5 -8.121 -12.563 9.547 1.00 0.00 C ATOM 6 OG1 THR A -5 -9.347 -13.227 9.724 1.00 0.00 O ATOM 7 CG2 THR A -5 -7.014 -13.584 9.789 1.00 0.00 C ATOM 0 H1 THR A -5 -7.640 -12.462 12.230 1.00 0.00 H new ATOM 0 H2 THR A -5 -8.244 -10.899 12.507 1.00 0.00 H new ATOM 0 H3 THR A -5 -9.285 -12.130 11.972 1.00 0.00 H new ATOM 0 HA THR A -5 -6.992 -11.047 10.504 1.00 0.00 H new ATOM 0 HB THR A -5 -8.026 -12.158 8.539 1.00 0.00 H new ATOM 0 HG1 THR A -5 -9.402 -13.984 9.103 1.00 0.00 H new ATOM 0 HG21 THR A -5 -7.118 -14.408 9.083 1.00 0.00 H new ATOM 0 HG22 THR A -5 -6.043 -13.108 9.651 1.00 0.00 H new ATOM 0 HG23 THR A -5 -7.088 -13.967 10.807 1.00 0.00 H new ATOM 17 N GLU A -4 -10.240 -10.435 10.082 1.00 0.00 N ATOM 18 CA GLU A -4 -11.331 -9.448 9.939 1.00 0.00 C ATOM 19 C GLU A -4 -11.533 -8.991 8.484 1.00 0.00 C ATOM 20 O GLU A -4 -12.651 -8.685 8.060 1.00 0.00 O ATOM 21 CB GLU A -4 -11.204 -8.309 10.977 1.00 0.00 C ATOM 22 CG GLU A -4 -11.441 -8.763 12.437 1.00 0.00 C ATOM 23 CD GLU A -4 -10.492 -9.884 12.898 1.00 0.00 C ATOM 24 OE1 GLU A -4 -9.312 -9.614 13.230 1.00 0.00 O ATOM 25 OE2 GLU A -4 -10.832 -11.077 12.729 1.00 0.00 O ATOM 0 H GLU A -4 -10.619 -11.368 10.243 1.00 0.00 H new ATOM 0 HA GLU A -4 -12.270 -9.947 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -10.209 -7.870 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -11.919 -7.524 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -11.324 -7.905 13.099 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -12.471 -9.106 12.539 1.00 0.00 H new ATOM 32 N PHE A -3 -10.494 -9.178 7.672 1.00 0.00 N ATOM 33 CA PHE A -3 -10.584 -9.652 6.300 1.00 0.00 C ATOM 34 C PHE A -3 -11.432 -10.929 6.215 1.00 0.00 C ATOM 35 O PHE A -3 -11.081 -11.976 6.767 1.00 0.00 O ATOM 36 CB PHE A -3 -9.176 -9.869 5.729 1.00 0.00 C ATOM 37 CG PHE A -3 -9.184 -10.155 4.240 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.111 -9.083 3.332 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.283 -11.473 3.753 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.171 -9.317 1.953 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.307 -11.712 2.365 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.252 -10.630 1.467 1.00 0.00 C ATOM 0 H PHE A -3 -9.534 -8.996 7.966 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.084 -8.895 5.696 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.570 -8.983 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.701 -10.699 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.008 -8.073 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.341 -12.301 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.155 -8.486 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.367 -12.723 1.991 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.272 -10.811 0.402 1.00 0.00 H new ATOM 52 N LYS A -2 -12.560 -10.831 5.500 1.00 0.00 N ATOM 53 CA LYS A -2 -13.526 -11.916 5.229 1.00 0.00 C ATOM 54 C LYS A -2 -13.759 -12.139 3.717 1.00 0.00 C ATOM 55 O LYS A -2 -14.736 -12.789 3.332 1.00 0.00 O ATOM 56 CB LYS A -2 -14.805 -11.620 6.040 1.00 0.00 C ATOM 57 CG LYS A -2 -15.748 -12.833 6.167 1.00 0.00 C ATOM 58 CD LYS A -2 -17.152 -12.590 5.575 1.00 0.00 C ATOM 59 CE LYS A -2 -17.715 -13.862 4.926 1.00 0.00 C ATOM 60 NZ LYS A -2 -17.134 -14.066 3.574 1.00 0.00 N ATOM 0 H LYS A -2 -12.843 -9.950 5.071 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.126 -12.875 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.523 -11.283 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -15.344 -10.799 5.567 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -15.295 -13.689 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.848 -13.096 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -17.827 -12.252 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -17.103 -11.793 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -17.495 -14.725 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -18.800 -13.789 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -17.884 -13.985 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -16.406 -13.345 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -16.705 -15.012 3.520 1.00 0.00 H new ATOM 74 N ALA A -1 -12.845 -11.594 2.904 1.00 0.00 N ATOM 75 CA ALA A -1 -12.878 -11.307 1.462 1.00 0.00 C ATOM 76 C ALA A -1 -13.771 -10.100 1.090 1.00 0.00 C ATOM 77 O ALA A -1 -14.750 -9.805 1.780 1.00 0.00 O ATOM 78 CB ALA A -1 -13.211 -12.573 0.657 1.00 0.00 C ATOM 0 H ALA A -1 -11.947 -11.306 3.293 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.872 -10.996 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.229 -12.334 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -12.453 -13.333 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.187 -12.951 0.961 1.00 0.00 H new ATOM 84 N GLY A 1 -13.430 -9.435 -0.022 1.00 0.00 N ATOM 85 CA GLY A 1 -14.230 -8.485 -0.800 1.00 0.00 C ATOM 86 C GLY A 1 -14.274 -8.953 -2.262 1.00 0.00 C ATOM 87 O GLY A 1 -14.177 -10.151 -2.527 1.00 0.00 O ATOM 0 H GLY A 1 -12.506 -9.561 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.240 -8.421 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.797 -7.487 -0.737 1.00 0.00 H new ATOM 91 N SER A 2 -14.407 -8.051 -3.235 1.00 0.00 N ATOM 92 CA SER A 2 -14.494 -8.411 -4.663 1.00 0.00 C ATOM 93 C SER A 2 -13.491 -7.631 -5.518 1.00 0.00 C ATOM 94 O SER A 2 -13.581 -6.413 -5.657 1.00 0.00 O ATOM 95 CB SER A 2 -15.934 -8.237 -5.165 1.00 0.00 C ATOM 96 OG SER A 2 -16.166 -9.040 -6.316 1.00 0.00 O ATOM 0 H SER A 2 -14.458 -7.047 -3.062 1.00 0.00 H new ATOM 0 HA SER A 2 -14.222 -9.462 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.635 -8.512 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.117 -7.189 -5.404 1.00 0.00 H new ATOM 0 HG SER A 2 -17.089 -8.917 -6.620 1.00 0.00 H new ATOM 102 N ALA A 3 -12.525 -8.326 -6.137 1.00 0.00 N ATOM 103 CA ALA A 3 -11.363 -7.707 -6.794 1.00 0.00 C ATOM 104 C ALA A 3 -11.689 -6.567 -7.789 1.00 0.00 C ATOM 105 O ALA A 3 -10.984 -5.561 -7.794 1.00 0.00 O ATOM 106 CB ALA A 3 -10.514 -8.806 -7.447 1.00 0.00 C ATOM 0 H ALA A 3 -12.528 -9.344 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.799 -7.202 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.650 -8.356 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.175 -9.506 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.113 -9.338 -8.186 1.00 0.00 H new ATOM 112 N LYS A 4 -12.768 -6.650 -8.588 1.00 0.00 N ATOM 113 CA LYS A 4 -13.176 -5.559 -9.505 1.00 0.00 C ATOM 114 C LYS A 4 -13.670 -4.279 -8.819 1.00 0.00 C ATOM 115 O LYS A 4 -13.436 -3.164 -9.279 1.00 0.00 O ATOM 116 CB LYS A 4 -14.178 -6.060 -10.565 1.00 0.00 C ATOM 117 CG LYS A 4 -15.553 -6.492 -10.012 1.00 0.00 C ATOM 118 CD LYS A 4 -16.520 -6.852 -11.152 1.00 0.00 C ATOM 119 CE LYS A 4 -17.944 -7.165 -10.660 1.00 0.00 C ATOM 120 NZ LYS A 4 -18.024 -8.430 -9.882 1.00 0.00 N ATOM 0 H LYS A 4 -13.380 -7.466 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.255 -5.260 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.331 -5.270 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.734 -6.904 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.429 -7.350 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.977 -5.686 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.561 -6.025 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.131 -7.715 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.298 -6.341 -10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.613 -7.229 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.006 -8.589 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.714 -9.224 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.409 -8.363 -9.046 1.00 0.00 H new ATOM 134 N LYS A 5 -14.358 -4.466 -7.702 1.00 0.00 N ATOM 135 CA LYS A 5 -14.882 -3.418 -6.816 1.00 0.00 C ATOM 136 C LYS A 5 -13.720 -2.718 -6.093 1.00 0.00 C ATOM 137 O LYS A 5 -13.668 -1.492 -6.110 1.00 0.00 O ATOM 138 CB LYS A 5 -15.931 -4.058 -5.889 1.00 0.00 C ATOM 139 CG LYS A 5 -16.372 -3.224 -4.689 1.00 0.00 C ATOM 140 CD LYS A 5 -17.211 -1.976 -4.980 1.00 0.00 C ATOM 141 CE LYS A 5 -17.814 -1.447 -3.667 1.00 0.00 C ATOM 142 NZ LYS A 5 -16.783 -1.209 -2.624 1.00 0.00 N ATOM 0 H LYS A 5 -14.582 -5.402 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.389 -2.626 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.813 -4.295 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.531 -5.003 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.943 -3.868 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.479 -2.913 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.592 -1.208 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.005 -2.215 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.348 -0.518 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.547 -2.162 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.165 -0.570 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.518 -2.114 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.943 -0.776 -3.058 1.00 0.00 H new ATOM 156 N GLY A 6 -12.754 -3.481 -5.575 1.00 0.00 N ATOM 157 CA GLY A 6 -11.471 -2.950 -5.101 1.00 0.00 C ATOM 158 C GLY A 6 -10.672 -2.208 -6.178 1.00 0.00 C ATOM 159 O GLY A 6 -10.143 -1.134 -5.903 1.00 0.00 O ATOM 0 H GLY A 6 -12.840 -4.492 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.655 -2.273 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.868 -3.773 -4.717 1.00 0.00 H new ATOM 163 N ALA A 7 -10.629 -2.721 -7.412 1.00 0.00 N ATOM 164 CA ALA A 7 -9.930 -2.085 -8.534 1.00 0.00 C ATOM 165 C ALA A 7 -10.424 -0.656 -8.805 1.00 0.00 C ATOM 166 O ALA A 7 -9.624 0.280 -8.862 1.00 0.00 O ATOM 167 CB ALA A 7 -10.068 -2.950 -9.796 1.00 0.00 C ATOM 0 H ALA A 7 -11.083 -3.599 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.878 -2.006 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.546 -2.471 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.633 -3.933 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.123 -3.061 -10.047 1.00 0.00 H new ATOM 173 N THR A 8 -11.739 -0.466 -8.975 1.00 0.00 N ATOM 174 CA THR A 8 -12.296 0.875 -9.235 1.00 0.00 C ATOM 175 C THR A 8 -12.215 1.827 -8.032 1.00 0.00 C ATOM 176 O THR A 8 -12.323 3.038 -8.225 1.00 0.00 O ATOM 177 CB THR A 8 -13.716 0.813 -9.814 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.012 2.060 -10.397 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.812 0.480 -8.804 1.00 0.00 C ATOM 0 H THR A 8 -12.433 -1.212 -8.938 1.00 0.00 H new ATOM 0 HA THR A 8 -11.648 1.307 -9.997 1.00 0.00 H new ATOM 0 HB THR A 8 -13.713 -0.004 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.482 2.759 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.778 0.460 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.614 -0.496 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.828 1.238 -8.021 1.00 0.00 H new ATOM 187 N LEU A 9 -11.998 1.315 -6.815 1.00 0.00 N ATOM 188 CA LEU A 9 -11.647 2.076 -5.629 1.00 0.00 C ATOM 189 C LEU A 9 -10.163 2.502 -5.664 1.00 0.00 C ATOM 190 O LEU A 9 -9.858 3.692 -5.602 1.00 0.00 O ATOM 191 CB LEU A 9 -12.008 1.218 -4.399 1.00 0.00 C ATOM 192 CG LEU A 9 -12.294 2.099 -3.177 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.791 2.218 -2.896 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.592 1.590 -1.920 1.00 0.00 C ATOM 0 H LEU A 9 -12.067 0.314 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.209 3.008 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.882 0.606 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.189 0.535 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.898 3.084 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.948 2.851 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.289 2.660 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.205 1.228 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.825 2.247 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.935 0.580 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.514 1.580 -2.084 1.00 0.00 H new ATOM 206 N PHE A 10 -9.223 1.564 -5.839 1.00 0.00 N ATOM 207 CA PHE A 10 -7.781 1.804 -6.021 1.00 0.00 C ATOM 208 C PHE A 10 -7.488 2.885 -7.070 1.00 0.00 C ATOM 209 O PHE A 10 -6.659 3.771 -6.842 1.00 0.00 O ATOM 210 CB PHE A 10 -7.096 0.483 -6.410 1.00 0.00 C ATOM 211 CG PHE A 10 -5.627 0.632 -6.753 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.661 0.613 -5.735 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.225 0.778 -8.094 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.305 0.825 -6.045 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.865 0.943 -8.404 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.907 1.005 -7.377 1.00 0.00 C ATOM 0 H PHE A 10 -9.455 0.571 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.383 2.173 -5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.197 -0.224 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.617 0.053 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.959 0.435 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.962 0.763 -8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.569 0.849 -5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.554 1.023 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.870 1.190 -7.613 1.00 0.00 H new ATOM 226 N LYS A 11 -8.223 2.830 -8.192 1.00 0.00 N ATOM 227 CA LYS A 11 -8.227 3.756 -9.338 1.00 0.00 C ATOM 228 C LYS A 11 -8.334 5.243 -8.962 1.00 0.00 C ATOM 229 O LYS A 11 -7.876 6.077 -9.740 1.00 0.00 O ATOM 230 CB LYS A 11 -9.368 3.299 -10.265 1.00 0.00 C ATOM 231 CG LYS A 11 -9.612 4.139 -11.527 1.00 0.00 C ATOM 232 CD LYS A 11 -10.746 3.509 -12.354 1.00 0.00 C ATOM 233 CE LYS A 11 -11.257 4.433 -13.468 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.246 4.665 -14.532 1.00 0.00 N ATOM 0 H LYS A 11 -8.888 2.070 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.261 3.706 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.165 2.273 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.291 3.281 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.873 5.161 -11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.701 4.193 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.393 2.577 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.574 3.254 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.152 3.998 -13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.548 5.390 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.644 5.295 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.400 5.105 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.985 3.757 -14.967 1.00 0.00 H new ATOM 248 N THR A 12 -8.859 5.577 -7.778 1.00 0.00 N ATOM 249 CA THR A 12 -8.902 6.948 -7.228 1.00 0.00 C ATOM 250 C THR A 12 -8.328 7.091 -5.827 1.00 0.00 C ATOM 251 O THR A 12 -7.831 8.167 -5.498 1.00 0.00 O ATOM 252 CB THR A 12 -10.327 7.510 -7.236 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.182 6.672 -6.496 1.00 0.00 O ATOM 254 CG2 THR A 12 -10.907 7.639 -8.644 1.00 0.00 C ATOM 0 H THR A 12 -9.278 4.887 -7.155 1.00 0.00 H new ATOM 0 HA THR A 12 -8.259 7.521 -7.896 1.00 0.00 H new ATOM 0 HB THR A 12 -10.263 8.504 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.090 7.040 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.918 8.042 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.283 8.309 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.935 6.658 -9.117 1.00 0.00 H new ATOM 262 N ARG A 13 -8.325 6.031 -5.015 1.00 0.00 N ATOM 263 CA ARG A 13 -7.852 6.095 -3.627 1.00 0.00 C ATOM 264 C ARG A 13 -6.331 5.995 -3.485 1.00 0.00 C ATOM 265 O ARG A 13 -5.799 6.480 -2.494 1.00 0.00 O ATOM 266 CB ARG A 13 -8.450 4.944 -2.796 1.00 0.00 C ATOM 267 CG ARG A 13 -9.975 4.877 -2.636 1.00 0.00 C ATOM 268 CD ARG A 13 -10.587 5.794 -1.572 1.00 0.00 C ATOM 269 NE ARG A 13 -11.866 5.240 -1.055 1.00 0.00 N ATOM 270 CZ ARG A 13 -13.055 5.815 -0.985 1.00 0.00 C ATOM 271 NH1 ARG A 13 -13.270 7.037 -1.392 1.00 0.00 N ATOM 272 NH2 ARG A 13 -14.062 5.158 -0.485 1.00 0.00 N ATOM 0 H ARG A 13 -8.649 5.106 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.175 7.073 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.121 4.006 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.013 4.992 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.431 5.116 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.249 3.849 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.884 5.920 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.761 6.782 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.820 4.283 -0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.505 7.587 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.203 7.442 -1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.932 4.204 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.981 5.598 -0.429 1.00 0.00 H new ATOM 286 N CYS A 14 -5.661 5.348 -4.443 1.00 0.00 N ATOM 287 CA CYS A 14 -4.248 4.973 -4.336 1.00 0.00 C ATOM 288 C CYS A 14 -3.473 5.311 -5.616 1.00 0.00 C ATOM 289 O CYS A 14 -2.400 5.913 -5.551 1.00 0.00 O ATOM 290 CB CYS A 14 -4.133 3.468 -4.071 1.00 0.00 C ATOM 291 SG CYS A 14 -5.252 2.687 -2.858 1.00 0.00 S ATOM 0 H CYS A 14 -6.089 5.067 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.817 5.541 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.273 2.956 -5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.111 3.269 -3.749 1.00 0.00 H new ATOM 296 N LEU A 15 -4.030 4.984 -6.796 1.00 0.00 N ATOM 297 CA LEU A 15 -3.425 5.196 -8.123 1.00 0.00 C ATOM 298 C LEU A 15 -3.059 6.669 -8.413 1.00 0.00 C ATOM 299 O LEU A 15 -2.129 6.965 -9.170 1.00 0.00 O ATOM 300 CB LEU A 15 -4.389 4.631 -9.185 1.00 0.00 C ATOM 301 CG LEU A 15 -3.852 4.638 -10.629 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.697 3.663 -10.852 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.970 4.259 -11.603 1.00 0.00 C ATOM 0 H LEU A 15 -4.950 4.548 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.472 4.668 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.643 3.606 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.314 5.207 -9.156 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.485 5.649 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.368 3.720 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.868 3.924 -10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.030 2.649 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.583 4.266 -12.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.340 3.262 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.785 4.978 -11.519 1.00 0.00 H new ATOM 315 N GLN A 16 -3.709 7.609 -7.716 1.00 0.00 N ATOM 316 CA GLN A 16 -3.307 9.016 -7.647 1.00 0.00 C ATOM 317 C GLN A 16 -1.816 9.209 -7.294 1.00 0.00 C ATOM 318 O GLN A 16 -1.173 10.065 -7.902 1.00 0.00 O ATOM 319 CB GLN A 16 -4.231 9.797 -6.699 1.00 0.00 C ATOM 320 CG GLN A 16 -4.289 9.239 -5.271 1.00 0.00 C ATOM 321 CD GLN A 16 -4.986 10.203 -4.322 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.401 11.144 -3.821 1.00 0.00 O ATOM 323 NE2 GLN A 16 -6.250 10.015 -4.027 1.00 0.00 N ATOM 0 H GLN A 16 -4.548 7.406 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.420 9.427 -8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.897 10.834 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.238 9.803 -7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.816 8.285 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.278 9.044 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.758 9.231 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.725 10.652 -3.388 1.00 0.00 H new ATOM 332 N CYS A 17 -1.224 8.366 -6.442 1.00 0.00 N ATOM 333 CA CYS A 17 0.167 8.467 -5.969 1.00 0.00 C ATOM 334 C CYS A 17 1.057 7.265 -6.336 1.00 0.00 C ATOM 335 O CYS A 17 2.280 7.366 -6.233 1.00 0.00 O ATOM 336 CB CYS A 17 0.176 8.654 -4.451 1.00 0.00 C ATOM 337 SG CYS A 17 -0.747 10.102 -3.857 1.00 0.00 S ATOM 0 H CYS A 17 -1.715 7.564 -6.046 1.00 0.00 H new ATOM 0 HA CYS A 17 0.595 9.328 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.240 7.760 -3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.210 8.737 -4.115 1.00 0.00 H new ATOM 342 N HIS A 18 0.466 6.148 -6.778 1.00 0.00 N ATOM 343 CA HIS A 18 1.125 4.850 -6.998 1.00 0.00 C ATOM 344 C HIS A 18 0.923 4.254 -8.403 1.00 0.00 C ATOM 345 O HIS A 18 0.254 4.827 -9.258 1.00 0.00 O ATOM 346 CB HIS A 18 0.607 3.872 -5.930 1.00 0.00 C ATOM 347 CG HIS A 18 1.204 4.126 -4.577 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.544 4.042 -4.272 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.523 4.426 -3.430 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.668 4.282 -2.961 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.462 4.512 -2.403 1.00 0.00 N ATOM 0 H HIS A 18 -0.529 6.121 -7.003 1.00 0.00 H new ATOM 0 HA HIS A 18 2.199 5.016 -6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.478 3.952 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.834 2.851 -6.237 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.301 3.835 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.543 4.570 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.605 4.290 -2.424 1.00 0.00 H new ATOM 359 N THR A 19 1.503 3.071 -8.619 1.00 0.00 N ATOM 360 CA THR A 19 1.205 2.123 -9.704 1.00 0.00 C ATOM 361 C THR A 19 1.214 0.686 -9.174 1.00 0.00 C ATOM 362 O THR A 19 1.545 0.449 -8.014 1.00 0.00 O ATOM 363 CB THR A 19 2.139 2.347 -10.891 1.00 0.00 C ATOM 364 OG1 THR A 19 1.714 1.576 -11.990 1.00 0.00 O ATOM 365 CG2 THR A 19 3.592 2.012 -10.594 1.00 0.00 C ATOM 0 H THR A 19 2.240 2.725 -8.004 1.00 0.00 H new ATOM 0 HA THR A 19 0.198 2.304 -10.080 1.00 0.00 H new ATOM 0 HB THR A 19 2.090 3.413 -11.115 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.317 1.726 -12.748 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.197 2.195 -11.482 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.950 2.638 -9.776 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.673 0.963 -10.310 1.00 0.00 H new ATOM 373 N VAL A 20 0.777 -0.248 -10.012 1.00 0.00 N ATOM 374 CA VAL A 20 0.340 -1.610 -9.651 1.00 0.00 C ATOM 375 C VAL A 20 0.972 -2.701 -10.522 1.00 0.00 C ATOM 376 O VAL A 20 0.917 -3.883 -10.195 1.00 0.00 O ATOM 377 CB VAL A 20 -1.201 -1.641 -9.714 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.756 -1.443 -11.133 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.809 -2.911 -9.139 1.00 0.00 C ATOM 0 H VAL A 20 0.711 -0.076 -11.015 1.00 0.00 H new ATOM 0 HA VAL A 20 0.683 -1.836 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.494 -0.795 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.845 -1.476 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.432 -0.477 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.385 -2.236 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.895 -2.862 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.444 -3.774 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.525 -3.009 -8.091 1.00 0.00 H new ATOM 389 N GLU A 21 1.574 -2.301 -11.641 1.00 0.00 N ATOM 390 CA GLU A 21 2.133 -3.223 -12.648 1.00 0.00 C ATOM 391 C GLU A 21 3.590 -3.658 -12.434 1.00 0.00 C ATOM 392 O GLU A 21 4.343 -3.101 -11.640 1.00 0.00 O ATOM 393 CB GLU A 21 2.001 -2.624 -14.063 1.00 0.00 C ATOM 394 CG GLU A 21 0.797 -3.193 -14.817 1.00 0.00 C ATOM 395 CD GLU A 21 0.968 -4.705 -14.987 1.00 0.00 C ATOM 396 OE1 GLU A 21 2.053 -5.157 -15.423 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.097 -5.477 -14.538 1.00 0.00 O ATOM 0 H GLU A 21 1.692 -1.317 -11.884 1.00 0.00 H new ATOM 0 HA GLU A 21 1.534 -4.126 -12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.904 -1.541 -13.990 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.911 -2.826 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.122 -2.980 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.706 -2.715 -15.792 1.00 0.00 H new ATOM 404 N LYS A 22 4.006 -4.628 -13.250 1.00 0.00 N ATOM 405 CA LYS A 22 5.342 -5.230 -13.323 1.00 0.00 C ATOM 406 C LYS A 22 6.392 -4.181 -13.715 1.00 0.00 C ATOM 407 O LYS A 22 6.399 -3.743 -14.861 1.00 0.00 O ATOM 408 CB LYS A 22 5.272 -6.366 -14.360 1.00 0.00 C ATOM 409 CG LYS A 22 5.007 -7.754 -13.742 1.00 0.00 C ATOM 410 CD LYS A 22 3.821 -8.499 -14.377 1.00 0.00 C ATOM 411 CE LYS A 22 2.483 -7.975 -13.835 1.00 0.00 C ATOM 412 NZ LYS A 22 1.498 -7.722 -14.912 1.00 0.00 N ATOM 0 H LYS A 22 3.371 -5.046 -13.929 1.00 0.00 H new ATOM 0 HA LYS A 22 5.643 -5.623 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.484 -6.142 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.210 -6.398 -14.915 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.904 -8.364 -13.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.821 -7.637 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.850 -8.379 -15.460 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.907 -9.566 -14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.071 -8.698 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.655 -7.053 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.601 -7.402 -14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.863 -6.987 -15.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.337 -8.598 -15.448 1.00 0.00 H new ATOM 426 N GLY A 23 7.233 -3.742 -12.771 1.00 0.00 N ATOM 427 CA GLY A 23 8.227 -2.674 -13.002 1.00 0.00 C ATOM 428 C GLY A 23 7.612 -1.321 -13.397 1.00 0.00 C ATOM 429 O GLY A 23 8.287 -0.456 -13.952 1.00 0.00 O ATOM 0 H GLY A 23 7.248 -4.115 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.820 -2.542 -12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.912 -2.993 -13.788 1.00 0.00 H new ATOM 433 N GLY A 24 6.305 -1.141 -13.164 1.00 0.00 N ATOM 434 CA GLY A 24 5.577 0.088 -13.479 1.00 0.00 C ATOM 435 C GLY A 24 6.223 1.333 -12.844 1.00 0.00 C ATOM 436 O GLY A 24 6.661 1.267 -11.690 1.00 0.00 O ATOM 0 H GLY A 24 5.717 -1.860 -12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.536 0.215 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.549 -0.003 -13.129 1.00 0.00 H new ATOM 440 N PRO A 25 6.210 2.484 -13.543 1.00 0.00 N ATOM 441 CA PRO A 25 7.013 3.651 -13.181 1.00 0.00 C ATOM 442 C PRO A 25 6.630 4.243 -11.821 1.00 0.00 C ATOM 443 O PRO A 25 5.460 4.532 -11.553 1.00 0.00 O ATOM 444 CB PRO A 25 6.821 4.659 -14.320 1.00 0.00 C ATOM 445 CG PRO A 25 5.478 4.263 -14.931 1.00 0.00 C ATOM 446 CD PRO A 25 5.473 2.745 -14.769 1.00 0.00 C ATOM 0 HA PRO A 25 8.060 3.373 -13.065 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.806 5.684 -13.949 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.627 4.596 -15.051 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.642 4.729 -14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.406 4.559 -15.977 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.455 2.360 -14.705 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.945 2.257 -15.622 1.00 0.00 H new ATOM 454 N HIS A 26 7.638 4.439 -10.971 1.00 0.00 N ATOM 455 CA HIS A 26 7.521 5.149 -9.701 1.00 0.00 C ATOM 456 C HIS A 26 7.048 6.605 -9.889 1.00 0.00 C ATOM 457 O HIS A 26 7.212 7.205 -10.953 1.00 0.00 O ATOM 458 CB HIS A 26 8.871 5.114 -8.981 1.00 0.00 C ATOM 459 CG HIS A 26 9.501 3.752 -8.798 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.865 2.530 -8.756 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.832 3.521 -8.592 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.794 1.591 -8.489 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.991 2.165 -8.328 1.00 0.00 N ATOM 0 H HIS A 26 8.582 4.099 -11.153 1.00 0.00 H new ATOM 0 HA HIS A 26 6.764 4.647 -9.099 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.569 5.742 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.745 5.567 -7.998 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.619 4.259 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.600 0.531 -8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.857 1.697 -8.062 1.00 0.00 H new ATOM 471 N LYS A 27 6.436 7.165 -8.845 1.00 0.00 N ATOM 472 CA LYS A 27 5.648 8.403 -8.896 1.00 0.00 C ATOM 473 C LYS A 27 5.857 9.204 -7.598 1.00 0.00 C ATOM 474 O LYS A 27 6.989 9.339 -7.137 1.00 0.00 O ATOM 475 CB LYS A 27 4.196 7.966 -9.203 1.00 0.00 C ATOM 476 CG LYS A 27 3.294 9.038 -9.836 1.00 0.00 C ATOM 477 CD LYS A 27 1.837 8.550 -9.826 1.00 0.00 C ATOM 478 CE LYS A 27 0.932 9.457 -10.662 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.499 9.140 -10.430 1.00 0.00 N ATOM 0 H LYS A 27 6.475 6.759 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 27 5.954 9.099 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.229 7.105 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.733 7.631 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.380 9.974 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.614 9.241 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.791 7.532 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.471 8.517 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.123 10.500 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.168 9.337 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.057 9.428 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.608 8.117 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.836 9.653 -9.590 1.00 0.00 H new ATOM 493 N VAL A 28 4.771 9.719 -7.014 1.00 0.00 N ATOM 494 CA VAL A 28 4.704 10.331 -5.672 1.00 0.00 C ATOM 495 C VAL A 28 5.200 9.351 -4.605 1.00 0.00 C ATOM 496 O VAL A 28 5.957 9.740 -3.723 1.00 0.00 O ATOM 497 CB VAL A 28 3.263 10.784 -5.353 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.144 11.460 -3.983 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.716 11.760 -6.403 1.00 0.00 C ATOM 0 H VAL A 28 3.866 9.723 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 28 5.353 11.207 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 28 2.677 9.865 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.109 11.757 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.454 10.762 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.784 12.342 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.700 12.050 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.349 12.647 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.710 11.277 -7.380 1.00 0.00 H new ATOM 509 N GLY A 29 4.809 8.076 -4.733 1.00 0.00 N ATOM 510 CA GLY A 29 5.415 6.926 -4.060 1.00 0.00 C ATOM 511 C GLY A 29 5.912 5.856 -5.053 1.00 0.00 C ATOM 512 O GLY A 29 5.866 6.066 -6.271 1.00 0.00 O ATOM 0 H GLY A 29 4.029 7.810 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.251 7.266 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.686 6.479 -3.384 1.00 0.00 H new ATOM 516 N PRO A 30 6.393 4.702 -4.554 1.00 0.00 N ATOM 517 CA PRO A 30 6.960 3.633 -5.373 1.00 0.00 C ATOM 518 C PRO A 30 5.904 2.850 -6.170 1.00 0.00 C ATOM 519 O PRO A 30 4.708 3.150 -6.179 1.00 0.00 O ATOM 520 CB PRO A 30 7.699 2.730 -4.374 1.00 0.00 C ATOM 521 CG PRO A 30 6.877 2.876 -3.100 1.00 0.00 C ATOM 522 CD PRO A 30 6.501 4.349 -3.148 1.00 0.00 C ATOM 0 HA PRO A 30 7.619 4.038 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.733 1.695 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.730 3.051 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.000 2.229 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.454 2.629 -2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.558 4.526 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.256 4.959 -2.652 1.00 0.00 H new ATOM 530 N ASN A 31 6.370 1.810 -6.851 1.00 0.00 N ATOM 531 CA ASN A 31 5.552 0.716 -7.357 1.00 0.00 C ATOM 532 C ASN A 31 4.949 -0.131 -6.192 1.00 0.00 C ATOM 533 O ASN A 31 5.500 -0.131 -5.090 1.00 0.00 O ATOM 534 CB ASN A 31 6.511 -0.063 -8.273 1.00 0.00 C ATOM 535 CG ASN A 31 5.826 -1.177 -9.010 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.487 -2.184 -8.431 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.554 -1.012 -10.271 1.00 0.00 N ATOM 0 H ASN A 31 7.360 1.702 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 31 4.670 1.045 -7.907 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.958 0.623 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.325 -0.474 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.050 -1.736 -10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.845 -0.159 -10.748 1.00 0.00 H new ATOM 544 N LEU A 32 3.832 -0.841 -6.428 1.00 0.00 N ATOM 545 CA LEU A 32 3.145 -1.732 -5.481 1.00 0.00 C ATOM 546 C LEU A 32 2.945 -3.170 -6.025 1.00 0.00 C ATOM 547 O LEU A 32 1.917 -3.795 -5.785 1.00 0.00 O ATOM 548 CB LEU A 32 1.794 -1.118 -5.067 1.00 0.00 C ATOM 549 CG LEU A 32 1.821 0.265 -4.402 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.373 0.675 -4.108 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.583 0.278 -3.075 1.00 0.00 C ATOM 0 H LEU A 32 3.361 -0.806 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 32 3.792 -1.824 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.167 -1.052 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.304 -1.811 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 32 2.327 0.947 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.362 1.656 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.190 0.716 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.084 -0.056 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.566 1.284 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.111 -0.414 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.616 -0.026 -3.245 1.00 0.00 H new ATOM 563 N HIS A 33 3.911 -3.724 -6.752 1.00 0.00 N ATOM 564 CA HIS A 33 3.911 -5.065 -7.340 1.00 0.00 C ATOM 565 C HIS A 33 5.024 -5.891 -6.680 1.00 0.00 C ATOM 566 O HIS A 33 6.203 -5.572 -6.790 1.00 0.00 O ATOM 567 CB HIS A 33 4.128 -4.940 -8.857 1.00 0.00 C ATOM 568 CG HIS A 33 3.662 -6.155 -9.602 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.377 -6.345 -10.038 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.371 -7.294 -9.872 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.292 -7.588 -10.530 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.489 -8.194 -10.483 1.00 0.00 N ATOM 0 H HIS A 33 4.771 -3.218 -6.961 1.00 0.00 H new ATOM 0 HA HIS A 33 2.960 -5.569 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.595 -4.064 -9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.187 -4.778 -9.058 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.621 -5.662 -9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.415 -7.466 -9.655 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.388 -8.039 -10.911 1.00 0.00 H new ATOM 580 N GLY A 34 4.657 -6.925 -5.925 1.00 0.00 N ATOM 581 CA GLY A 34 5.591 -7.806 -5.201 1.00 0.00 C ATOM 582 C GLY A 34 5.940 -7.361 -3.775 1.00 0.00 C ATOM 583 O GLY A 34 6.846 -7.928 -3.159 1.00 0.00 O ATOM 0 H GLY A 34 3.680 -7.185 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.160 -8.806 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.514 -7.881 -5.777 1.00 0.00 H new ATOM 587 N ILE A 35 5.249 -6.345 -3.243 1.00 0.00 N ATOM 588 CA ILE A 35 5.473 -5.823 -1.889 1.00 0.00 C ATOM 589 C ILE A 35 5.142 -6.851 -0.801 1.00 0.00 C ATOM 590 O ILE A 35 5.854 -6.911 0.195 1.00 0.00 O ATOM 591 CB ILE A 35 4.742 -4.480 -1.637 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.215 -4.546 -1.401 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.098 -3.451 -2.725 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.359 -5.091 -2.548 1.00 0.00 C ATOM 0 H ILE A 35 4.509 -5.856 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 35 6.542 -5.620 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 35 5.126 -4.155 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.034 -5.162 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.865 -3.541 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.573 -2.516 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.173 -3.272 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.800 -3.835 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.309 -5.084 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.493 -4.466 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.665 -6.112 -2.777 1.00 0.00 H new ATOM 606 N PHE A 36 4.098 -7.675 -0.977 1.00 0.00 N ATOM 607 CA PHE A 36 3.696 -8.720 -0.039 1.00 0.00 C ATOM 608 C PHE A 36 4.797 -9.775 0.104 1.00 0.00 C ATOM 609 O PHE A 36 5.291 -10.326 -0.877 1.00 0.00 O ATOM 610 CB PHE A 36 2.379 -9.361 -0.481 1.00 0.00 C ATOM 611 CG PHE A 36 1.145 -8.518 -0.216 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.614 -8.460 1.085 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.504 -7.817 -1.257 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.554 -7.722 1.340 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.681 -7.102 -1.010 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.212 -7.060 0.292 1.00 0.00 C ATOM 0 H PHE A 36 3.497 -7.627 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 36 3.541 -8.262 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.434 -9.575 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.266 -10.317 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.106 -8.985 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.926 -7.829 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.946 -7.664 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.182 -6.587 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.126 -6.518 0.485 1.00 0.00 H new ATOM 626 N GLY A 37 5.210 -10.018 1.344 1.00 0.00 N ATOM 627 CA GLY A 37 6.375 -10.831 1.711 1.00 0.00 C ATOM 628 C GLY A 37 7.710 -10.072 1.695 1.00 0.00 C ATOM 629 O GLY A 37 8.638 -10.436 2.422 1.00 0.00 O ATOM 0 H GLY A 37 4.725 -9.640 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.217 -11.241 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.443 -11.676 1.026 1.00 0.00 H new ATOM 633 N ARG A 38 7.819 -8.984 0.918 1.00 0.00 N ATOM 634 CA ARG A 38 8.919 -8.016 1.016 1.00 0.00 C ATOM 635 C ARG A 38 8.769 -7.185 2.294 1.00 0.00 C ATOM 636 O ARG A 38 7.794 -7.291 3.028 1.00 0.00 O ATOM 637 CB ARG A 38 8.969 -7.150 -0.264 1.00 0.00 C ATOM 638 CG ARG A 38 10.367 -6.680 -0.688 1.00 0.00 C ATOM 639 CD ARG A 38 11.195 -7.802 -1.323 1.00 0.00 C ATOM 640 NE ARG A 38 12.626 -7.434 -1.364 1.00 0.00 N ATOM 641 CZ ARG A 38 13.553 -7.710 -2.258 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.298 -8.390 -3.341 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.767 -7.282 -2.053 1.00 0.00 N ATOM 0 H ARG A 38 7.137 -8.750 0.196 1.00 0.00 H new ATOM 0 HA ARG A 38 9.874 -8.536 1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.532 -7.719 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.340 -6.273 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.271 -5.858 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.895 -6.291 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.067 -8.723 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.836 -7.999 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 38 12.947 -6.877 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.353 -8.729 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.044 -8.583 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.983 -6.745 -1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.501 -7.484 -2.732 1.00 0.00 H new ATOM 657 N HIS A 39 9.798 -6.408 2.584 1.00 0.00 N ATOM 658 CA HIS A 39 9.992 -5.670 3.826 1.00 0.00 C ATOM 659 C HIS A 39 10.079 -4.170 3.521 1.00 0.00 C ATOM 660 O HIS A 39 10.821 -3.787 2.615 1.00 0.00 O ATOM 661 CB HIS A 39 11.233 -6.212 4.516 1.00 0.00 C ATOM 662 CG HIS A 39 11.033 -7.561 5.153 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.722 -8.763 4.547 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.152 -7.789 6.489 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.704 -9.702 5.505 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.950 -9.156 6.704 1.00 0.00 N ATOM 0 H HIS A 39 10.564 -6.265 1.925 1.00 0.00 H new ATOM 0 HA HIS A 39 9.150 -5.801 4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.041 -6.280 3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.551 -5.503 5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.364 -7.049 7.246 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.517 -10.752 5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.983 -9.643 7.600 1.00 0.00 H new ATOM 674 N SER A 40 9.292 -3.349 4.222 1.00 0.00 N ATOM 675 CA SER A 40 9.003 -1.946 3.880 1.00 0.00 C ATOM 676 C SER A 40 10.223 -1.110 3.485 1.00 0.00 C ATOM 677 O SER A 40 11.149 -0.935 4.283 1.00 0.00 O ATOM 678 CB SER A 40 8.221 -1.252 4.997 1.00 0.00 C ATOM 679 OG SER A 40 9.013 -1.107 6.161 1.00 0.00 O ATOM 0 H SER A 40 8.820 -3.650 5.075 1.00 0.00 H new ATOM 0 HA SER A 40 8.388 -2.006 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.887 -0.272 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.327 -1.829 5.232 1.00 0.00 H new ATOM 0 HG SER A 40 9.450 -0.230 6.152 1.00 0.00 H new ATOM 685 N GLY A 41 10.201 -0.558 2.269 1.00 0.00 N ATOM 686 CA GLY A 41 11.327 0.205 1.714 1.00 0.00 C ATOM 687 C GLY A 41 12.195 -0.506 0.664 1.00 0.00 C ATOM 688 O GLY A 41 13.412 -0.335 0.692 1.00 0.00 O ATOM 0 H GLY A 41 9.402 -0.626 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.932 1.117 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.972 0.508 2.539 1.00 0.00 H new ATOM 692 N GLN A 42 11.624 -1.332 -0.224 1.00 0.00 N ATOM 693 CA GLN A 42 12.379 -2.167 -1.178 1.00 0.00 C ATOM 694 C GLN A 42 11.843 -2.178 -2.626 1.00 0.00 C ATOM 695 O GLN A 42 11.841 -3.222 -3.280 1.00 0.00 O ATOM 696 CB GLN A 42 12.551 -3.581 -0.591 1.00 0.00 C ATOM 697 CG GLN A 42 13.476 -3.549 0.632 1.00 0.00 C ATOM 698 CD GLN A 42 13.912 -4.934 1.090 1.00 0.00 C ATOM 699 OE1 GLN A 42 14.262 -5.823 0.314 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.883 -5.191 2.376 1.00 0.00 N ATOM 0 H GLN A 42 10.613 -1.443 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 42 13.356 -1.698 -1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.579 -3.984 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.964 -4.247 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.360 -2.956 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.965 -3.046 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.596 -4.467 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.148 -6.115 2.718 1.00 0.00 H new ATOM 709 N ALA A 43 11.426 -1.022 -3.146 1.00 0.00 N ATOM 710 CA ALA A 43 11.279 -0.791 -4.587 1.00 0.00 C ATOM 711 C ALA A 43 12.635 -0.653 -5.329 1.00 0.00 C ATOM 712 O ALA A 43 13.711 -0.795 -4.744 1.00 0.00 O ATOM 713 CB ALA A 43 10.381 0.433 -4.774 1.00 0.00 C ATOM 0 H ALA A 43 11.179 -0.213 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 43 10.816 -1.666 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.252 0.631 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.408 0.243 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.841 1.298 -4.297 1.00 0.00 H new ATOM 719 N GLU A 44 12.585 -0.392 -6.637 1.00 0.00 N ATOM 720 CA GLU A 44 13.695 -0.481 -7.598 1.00 0.00 C ATOM 721 C GLU A 44 14.648 0.736 -7.514 1.00 0.00 C ATOM 722 O GLU A 44 14.733 1.571 -8.412 1.00 0.00 O ATOM 723 CB GLU A 44 13.098 -0.703 -9.005 1.00 0.00 C ATOM 724 CG GLU A 44 12.312 -2.025 -9.111 1.00 0.00 C ATOM 725 CD GLU A 44 11.267 -1.972 -10.231 1.00 0.00 C ATOM 726 OE1 GLU A 44 10.143 -1.489 -9.945 1.00 0.00 O ATOM 727 OE2 GLU A 44 11.588 -2.429 -11.349 1.00 0.00 O ATOM 0 H GLU A 44 11.718 -0.095 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 44 14.331 -1.331 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.438 0.129 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.902 -0.702 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.004 -2.846 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.818 -2.233 -8.162 1.00 0.00 H new ATOM 734 N GLY A 45 15.349 0.872 -6.382 1.00 0.00 N ATOM 735 CA GLY A 45 16.250 1.999 -6.093 1.00 0.00 C ATOM 736 C GLY A 45 15.544 3.276 -5.611 1.00 0.00 C ATOM 737 O GLY A 45 16.194 4.269 -5.285 1.00 0.00 O ATOM 0 H GLY A 45 15.306 0.189 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.968 1.688 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.819 2.232 -6.993 1.00 0.00 H new ATOM 741 N TYR A 46 14.211 3.263 -5.511 1.00 0.00 N ATOM 742 CA TYR A 46 13.424 4.371 -4.963 1.00 0.00 C ATOM 743 C TYR A 46 13.687 4.541 -3.459 1.00 0.00 C ATOM 744 O TYR A 46 13.963 3.580 -2.744 1.00 0.00 O ATOM 745 CB TYR A 46 11.956 4.143 -5.305 1.00 0.00 C ATOM 746 CG TYR A 46 11.094 5.383 -5.214 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.511 5.726 -3.985 1.00 0.00 C ATOM 748 CD2 TYR A 46 10.856 6.185 -6.350 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.608 6.800 -3.918 1.00 0.00 C ATOM 750 CE2 TYR A 46 9.957 7.267 -6.284 1.00 0.00 C ATOM 751 CZ TYR A 46 9.310 7.554 -5.065 1.00 0.00 C ATOM 752 OH TYR A 46 8.409 8.558 -4.972 1.00 0.00 O ATOM 0 H TYR A 46 13.642 2.472 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 46 13.727 5.315 -5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.889 3.742 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.553 3.385 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.755 5.167 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.367 5.968 -7.276 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.139 7.048 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.765 7.871 -7.159 1.00 0.00 H new ATOM 0 HH TYR A 46 8.022 8.733 -5.855 1.00 0.00 H new ATOM 762 N SER A 47 13.687 5.791 -2.991 1.00 0.00 N ATOM 763 CA SER A 47 14.344 6.197 -1.738 1.00 0.00 C ATOM 764 C SER A 47 13.348 6.732 -0.714 1.00 0.00 C ATOM 765 O SER A 47 12.749 7.792 -0.907 1.00 0.00 O ATOM 766 CB SER A 47 15.430 7.231 -2.025 1.00 0.00 C ATOM 767 OG SER A 47 16.547 6.607 -2.630 1.00 0.00 O ATOM 0 H SER A 47 13.226 6.562 -3.474 1.00 0.00 H new ATOM 0 HA SER A 47 14.802 5.309 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.039 8.009 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.733 7.718 -1.098 1.00 0.00 H new ATOM 0 HG SER A 47 17.238 7.278 -2.812 1.00 0.00 H new ATOM 773 N TYR A 48 13.159 5.962 0.360 1.00 0.00 N ATOM 774 CA TYR A 48 12.007 6.065 1.244 1.00 0.00 C ATOM 775 C TYR A 48 12.124 7.178 2.305 1.00 0.00 C ATOM 776 O TYR A 48 12.208 8.365 1.979 1.00 0.00 O ATOM 777 CB TYR A 48 11.682 4.664 1.797 1.00 0.00 C ATOM 778 CG TYR A 48 11.082 3.723 0.773 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.878 3.110 -0.221 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.706 3.437 0.843 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.297 2.206 -1.128 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.138 2.508 -0.042 1.00 0.00 C ATOM 783 CZ TYR A 48 9.934 1.876 -1.017 1.00 0.00 C ATOM 784 OH TYR A 48 9.430 0.874 -1.778 1.00 0.00 O ATOM 0 H TYR A 48 13.819 5.236 0.641 1.00 0.00 H new ATOM 0 HA TYR A 48 11.146 6.404 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.595 4.220 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.989 4.766 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.932 3.336 -0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.088 3.932 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.897 1.765 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.085 2.276 0.025 1.00 0.00 H new ATOM 0 HH TYR A 48 8.560 0.598 -1.421 1.00 0.00 H new ATOM 794 N THR A 49 12.113 6.807 3.585 1.00 0.00 N ATOM 795 CA THR A 49 12.275 7.649 4.777 1.00 0.00 C ATOM 796 C THR A 49 12.961 6.832 5.862 1.00 0.00 C ATOM 797 O THR A 49 12.778 5.614 5.916 1.00 0.00 O ATOM 798 CB THR A 49 10.920 8.128 5.337 1.00 0.00 C ATOM 799 OG1 THR A 49 9.964 7.089 5.353 1.00 0.00 O ATOM 800 CG2 THR A 49 10.331 9.267 4.519 1.00 0.00 C ATOM 0 H THR A 49 11.980 5.828 3.839 1.00 0.00 H new ATOM 0 HA THR A 49 12.862 8.521 4.489 1.00 0.00 H new ATOM 0 HB THR A 49 11.132 8.467 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.249 7.312 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.378 9.570 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.018 10.113 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.175 8.935 3.493 1.00 0.00 H new ATOM 808 N ASP A 50 13.702 7.498 6.752 1.00 0.00 N ATOM 809 CA ASP A 50 14.358 6.863 7.899 1.00 0.00 C ATOM 810 C ASP A 50 13.380 5.996 8.720 1.00 0.00 C ATOM 811 O ASP A 50 13.619 4.803 8.907 1.00 0.00 O ATOM 812 CB ASP A 50 15.016 7.962 8.735 1.00 0.00 C ATOM 813 CG ASP A 50 15.683 7.375 9.970 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.870 6.990 9.906 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.009 7.273 11.017 1.00 0.00 O ATOM 0 H ASP A 50 13.865 8.503 6.696 1.00 0.00 H new ATOM 0 HA ASP A 50 15.123 6.169 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.756 8.490 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.267 8.695 9.034 1.00 0.00 H new ATOM 820 N ALA A 51 12.233 6.567 9.106 1.00 0.00 N ATOM 821 CA ALA A 51 11.159 5.883 9.822 1.00 0.00 C ATOM 822 C ALA A 51 10.698 4.583 9.129 1.00 0.00 C ATOM 823 O ALA A 51 10.643 3.535 9.771 1.00 0.00 O ATOM 824 CB ALA A 51 10.010 6.881 10.028 1.00 0.00 C ATOM 0 H ALA A 51 12.024 7.548 8.921 1.00 0.00 H new ATOM 0 HA ALA A 51 11.534 5.551 10.790 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.195 6.392 10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.366 7.731 10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.652 7.229 9.059 1.00 0.00 H new ATOM 830 N ASN A 52 10.399 4.619 7.821 1.00 0.00 N ATOM 831 CA ASN A 52 9.946 3.450 7.054 1.00 0.00 C ATOM 832 C ASN A 52 10.995 2.329 7.000 1.00 0.00 C ATOM 833 O ASN A 52 10.678 1.143 7.109 1.00 0.00 O ATOM 834 CB ASN A 52 9.576 3.928 5.643 1.00 0.00 C ATOM 835 CG ASN A 52 9.038 2.820 4.757 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.883 2.075 4.084 1.00 0.00 O flip ATOM 837 ND2 ASN A 52 7.843 2.636 4.628 1.00 0.00 N flip ATOM 0 H ASN A 52 10.466 5.469 7.261 1.00 0.00 H new ATOM 0 HA ASN A 52 9.080 3.015 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.829 4.718 5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.457 4.365 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.179 3.211 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.504 1.907 4.000 1.00 0.00 H new ATOM 844 N ILE A 53 12.261 2.710 6.853 1.00 0.00 N ATOM 845 CA ILE A 53 13.396 1.785 6.869 1.00 0.00 C ATOM 846 C ILE A 53 13.540 1.150 8.253 1.00 0.00 C ATOM 847 O ILE A 53 13.570 -0.073 8.350 1.00 0.00 O ATOM 848 CB ILE A 53 14.666 2.531 6.433 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.550 2.970 4.949 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.932 1.676 6.629 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.554 4.056 4.547 1.00 0.00 C ATOM 0 H ILE A 53 12.534 3.683 6.717 1.00 0.00 H new ATOM 0 HA ILE A 53 13.227 0.972 6.163 1.00 0.00 H new ATOM 0 HB ILE A 53 14.759 3.413 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.695 2.099 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.540 3.336 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.807 2.242 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.035 1.415 7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.851 0.765 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.413 4.311 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.396 4.943 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.569 3.687 4.697 1.00 0.00 H new ATOM 863 N LYS A 54 13.547 1.941 9.332 1.00 0.00 N ATOM 864 CA LYS A 54 13.502 1.452 10.719 1.00 0.00 C ATOM 865 C LYS A 54 12.212 0.704 11.080 1.00 0.00 C ATOM 866 O LYS A 54 12.138 0.110 12.151 1.00 0.00 O ATOM 867 CB LYS A 54 13.764 2.619 11.680 1.00 0.00 C ATOM 868 CG LYS A 54 15.191 3.148 11.479 1.00 0.00 C ATOM 869 CD LYS A 54 15.511 4.282 12.452 1.00 0.00 C ATOM 870 CE LYS A 54 16.911 4.817 12.139 1.00 0.00 C ATOM 871 NZ LYS A 54 17.037 6.235 12.530 1.00 0.00 N ATOM 0 H LYS A 54 13.585 2.958 9.267 1.00 0.00 H new ATOM 0 HA LYS A 54 14.290 0.706 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.042 3.417 11.503 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.630 2.290 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.904 2.336 11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.308 3.502 10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.773 5.079 12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.465 3.922 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.657 4.223 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.115 4.711 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.846 6.661 12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.167 6.744 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.188 6.300 13.557 1.00 0.00 H new ATOM 885 N LYS A 55 11.219 0.672 10.183 1.00 0.00 N ATOM 886 CA LYS A 55 10.050 -0.217 10.306 1.00 0.00 C ATOM 887 C LYS A 55 10.374 -1.642 9.836 1.00 0.00 C ATOM 888 O LYS A 55 9.982 -2.592 10.510 1.00 0.00 O ATOM 889 CB LYS A 55 8.842 0.380 9.552 1.00 0.00 C ATOM 890 CG LYS A 55 7.536 0.403 10.363 1.00 0.00 C ATOM 891 CD LYS A 55 6.967 -0.952 10.806 1.00 0.00 C ATOM 892 CE LYS A 55 6.623 -0.962 12.299 1.00 0.00 C ATOM 893 NZ LYS A 55 6.016 -2.255 12.713 1.00 0.00 N ATOM 0 H LYS A 55 11.200 1.261 9.350 1.00 0.00 H new ATOM 0 HA LYS A 55 9.783 -0.291 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.085 1.398 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.679 -0.194 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.701 1.009 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.777 0.911 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.073 -1.179 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.692 -1.738 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.526 -0.780 12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.932 -0.148 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.937 -2.285 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.070 -2.345 12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.616 -3.040 12.389 1.00 0.00 H new ATOM 907 N ASN A 56 11.020 -1.751 8.667 1.00 0.00 N ATOM 908 CA ASN A 56 11.220 -2.947 7.828 1.00 0.00 C ATOM 909 C ASN A 56 10.086 -3.975 7.971 1.00 0.00 C ATOM 910 O ASN A 56 10.297 -5.142 8.291 1.00 0.00 O ATOM 911 CB ASN A 56 12.653 -3.508 7.991 1.00 0.00 C ATOM 912 CG ASN A 56 13.430 -3.353 6.694 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.569 -4.251 5.880 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.918 -2.166 6.441 1.00 0.00 N ATOM 0 H ASN A 56 11.456 -0.932 8.244 1.00 0.00 H new ATOM 0 HA ASN A 56 11.148 -2.647 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.167 -2.983 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.609 -4.560 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.413 -1.994 5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.804 -1.413 7.119 1.00 0.00 H new ATOM 921 N VAL A 57 8.848 -3.529 7.760 1.00 0.00 N ATOM 922 CA VAL A 57 7.682 -4.385 7.971 1.00 0.00 C ATOM 923 C VAL A 57 7.524 -5.375 6.826 1.00 0.00 C ATOM 924 O VAL A 57 7.414 -4.966 5.673 1.00 0.00 O ATOM 925 CB VAL A 57 6.415 -3.552 8.253 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.283 -3.612 7.225 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.875 -4.004 9.611 1.00 0.00 C ATOM 0 H VAL A 57 8.628 -2.584 7.445 1.00 0.00 H new ATOM 0 HA VAL A 57 7.842 -4.982 8.868 1.00 0.00 H new ATOM 0 HB VAL A 57 6.738 -2.512 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.459 -2.979 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.649 -3.260 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.934 -4.640 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.975 -3.438 9.851 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.636 -5.067 9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.629 -3.830 10.379 1.00 0.00 H new ATOM 937 N LEU A 58 7.498 -6.669 7.153 1.00 0.00 N ATOM 938 CA LEU A 58 7.114 -7.742 6.235 1.00 0.00 C ATOM 939 C LEU A 58 5.643 -7.545 5.840 1.00 0.00 C ATOM 940 O LEU A 58 4.751 -7.839 6.637 1.00 0.00 O ATOM 941 CB LEU A 58 7.378 -9.116 6.881 1.00 0.00 C ATOM 942 CG LEU A 58 7.365 -10.299 5.886 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.907 -11.551 6.584 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.962 -10.646 5.381 1.00 0.00 C ATOM 0 H LEU A 58 7.749 -7.006 8.082 1.00 0.00 H new ATOM 0 HA LEU A 58 7.717 -7.707 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.345 -9.089 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.625 -9.294 7.649 1.00 0.00 H new ATOM 0 HG LEU A 58 7.976 -9.992 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.900 -12.388 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.928 -11.367 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.280 -11.789 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.022 -11.484 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.329 -10.919 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.535 -9.782 4.871 1.00 0.00 H new ATOM 956 N TRP A 59 5.385 -6.988 4.658 1.00 0.00 N ATOM 957 CA TRP A 59 4.039 -6.690 4.175 1.00 0.00 C ATOM 958 C TRP A 59 3.194 -7.969 4.077 1.00 0.00 C ATOM 959 O TRP A 59 3.472 -8.871 3.289 1.00 0.00 O ATOM 960 CB TRP A 59 4.094 -5.924 2.849 1.00 0.00 C ATOM 961 CG TRP A 59 4.677 -4.539 2.907 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.728 -4.069 2.191 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.223 -3.413 3.715 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.939 -2.732 2.494 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.084 -2.303 3.480 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.174 -3.221 4.636 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.964 -1.091 4.171 1.00 0.00 C ATOM 968 CZ3 TRP A 59 3.025 -2.006 5.324 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.934 -0.947 5.117 1.00 0.00 C ATOM 0 H TRP A 59 6.118 -6.727 3.999 1.00 0.00 H new ATOM 0 HA TRP A 59 3.546 -6.041 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.675 -6.511 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.081 -5.853 2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.312 -4.648 1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.639 -2.143 2.043 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.472 -4.022 4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.651 -0.280 3.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.207 -1.881 6.018 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.839 -0.031 5.682 1.00 0.00 H new ATOM 980 N ASP A 60 2.166 -8.023 4.912 1.00 0.00 N ATOM 981 CA ASP A 60 1.178 -9.089 5.074 1.00 0.00 C ATOM 982 C ASP A 60 -0.224 -8.473 4.949 1.00 0.00 C ATOM 983 O ASP A 60 -0.374 -7.250 4.970 1.00 0.00 O ATOM 984 CB ASP A 60 1.433 -9.798 6.421 1.00 0.00 C ATOM 985 CG ASP A 60 0.163 -10.224 7.155 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.412 -11.258 6.766 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.307 -9.433 8.010 1.00 0.00 O ATOM 0 H ASP A 60 1.983 -7.252 5.554 1.00 0.00 H new ATOM 0 HA ASP A 60 1.260 -9.852 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.050 -10.679 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.006 -9.132 7.066 1.00 0.00 H new ATOM 992 N GLU A 61 -1.239 -9.315 4.792 1.00 0.00 N ATOM 993 CA GLU A 61 -2.632 -8.900 4.586 1.00 0.00 C ATOM 994 C GLU A 61 -3.133 -8.009 5.744 1.00 0.00 C ATOM 995 O GLU A 61 -3.560 -6.876 5.505 1.00 0.00 O ATOM 996 CB GLU A 61 -3.528 -10.127 4.298 1.00 0.00 C ATOM 997 CG GLU A 61 -3.154 -10.791 2.948 1.00 0.00 C ATOM 998 CD GLU A 61 -4.059 -11.963 2.504 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.114 -12.183 3.135 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.727 -12.594 1.467 1.00 0.00 O ATOM 0 H GLU A 61 -1.120 -10.328 4.804 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.689 -8.270 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.425 -10.853 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.574 -9.820 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.173 -10.027 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.128 -11.153 3.014 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.990 -8.450 7.002 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.372 -7.667 8.184 1.00 0.00 C ATOM 1009 C ASN A 62 -2.399 -6.511 8.476 1.00 0.00 C ATOM 1010 O ASN A 62 -2.824 -5.392 8.756 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.486 -8.601 9.412 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.911 -9.009 9.734 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.233 -10.181 9.868 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.790 -8.052 9.930 1.00 0.00 N ATOM 0 H ASN A 62 -2.603 -9.366 7.228 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.339 -7.211 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.892 -9.497 9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.055 -8.101 10.280 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.747 -8.285 10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.515 -7.076 9.817 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.092 -6.768 8.445 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.038 -5.800 8.768 1.00 0.00 C ATOM 1023 C ASN A 63 0.008 -4.614 7.781 1.00 0.00 C ATOM 1024 O ASN A 63 0.333 -3.490 8.171 1.00 0.00 O ATOM 1025 CB ASN A 63 1.267 -6.614 8.789 1.00 0.00 C ATOM 1026 CG ASN A 63 2.526 -5.839 9.119 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.555 -4.833 9.814 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.648 -6.304 8.631 1.00 0.00 N ATOM 0 H ASN A 63 -0.723 -7.683 8.187 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.220 -5.321 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.158 -7.419 9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.397 -7.081 7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.528 -5.828 8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.643 -7.142 8.049 1.00 0.00 H new ATOM 1035 N MET A 64 -0.350 -4.836 6.510 1.00 0.00 N ATOM 1036 CA MET A 64 -0.596 -3.749 5.564 1.00 0.00 C ATOM 1037 C MET A 64 -1.943 -3.047 5.813 1.00 0.00 C ATOM 1038 O MET A 64 -1.979 -1.828 5.665 1.00 0.00 O ATOM 1039 CB MET A 64 -0.446 -4.239 4.112 1.00 0.00 C ATOM 1040 CG MET A 64 -0.140 -3.095 3.134 1.00 0.00 C ATOM 1041 SD MET A 64 0.358 -3.638 1.473 1.00 0.00 S ATOM 1042 CE MET A 64 -1.242 -3.733 0.636 1.00 0.00 C ATOM 0 H MET A 64 -0.476 -5.768 6.114 1.00 0.00 H new ATOM 0 HA MET A 64 0.168 -2.990 5.732 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.353 -4.979 4.062 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.364 -4.740 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.023 -2.463 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.654 -2.477 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.128 -4.267 -0.307 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.953 -4.263 1.270 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.611 -2.726 0.440 1.00 0.00 H new ATOM 1052 N SER A 65 -3.032 -3.735 6.206 1.00 0.00 N ATOM 1053 CA SER A 65 -4.313 -3.055 6.510 1.00 0.00 C ATOM 1054 C SER A 65 -4.192 -2.024 7.641 1.00 0.00 C ATOM 1055 O SER A 65 -4.692 -0.909 7.490 1.00 0.00 O ATOM 1056 CB SER A 65 -5.502 -4.016 6.720 1.00 0.00 C ATOM 1057 OG SER A 65 -5.625 -4.564 8.017 1.00 0.00 O ATOM 0 H SER A 65 -3.055 -4.748 6.320 1.00 0.00 H new ATOM 0 HA SER A 65 -4.548 -2.498 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.423 -3.483 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.414 -4.835 6.006 1.00 0.00 H new ATOM 0 HG SER A 65 -4.746 -4.862 8.331 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.433 -2.335 8.698 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.049 -1.430 9.799 1.00 0.00 C ATOM 1065 C GLU A 66 -2.347 -0.156 9.288 1.00 0.00 C ATOM 1066 O GLU A 66 -2.830 0.971 9.466 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.164 -2.242 10.771 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.292 -1.460 11.770 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.941 -0.291 12.532 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.166 -0.060 12.492 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.175 0.468 13.166 1.00 0.00 O ATOM 0 H GLU A 66 -3.048 -3.272 8.819 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.937 -1.069 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.814 -2.905 11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.506 -2.875 10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.910 -2.168 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.431 -1.069 11.228 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.212 -0.338 8.602 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.464 0.745 7.959 1.00 0.00 C ATOM 1080 C TYR A 67 -1.347 1.585 7.036 1.00 0.00 C ATOM 1081 O TYR A 67 -1.359 2.805 7.135 1.00 0.00 O ATOM 1082 CB TYR A 67 0.716 0.174 7.167 1.00 0.00 C ATOM 1083 CG TYR A 67 1.420 1.200 6.296 1.00 0.00 C ATOM 1084 CD1 TYR A 67 2.037 2.311 6.897 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.433 1.071 4.895 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.692 3.279 6.119 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.104 2.027 4.106 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.746 3.123 4.718 1.00 0.00 C ATOM 1089 OH TYR A 67 3.447 4.007 3.966 1.00 0.00 O ATOM 0 H TYR A 67 -0.783 -1.255 8.477 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.095 1.398 8.750 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.437 -0.254 7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.359 -0.641 6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.007 2.421 7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.929 0.240 4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.151 4.136 6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.126 1.920 3.032 1.00 0.00 H new ATOM 0 HH TYR A 67 2.851 4.420 3.307 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.121 0.957 6.151 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.012 1.669 5.239 1.00 0.00 C ATOM 1101 C LEU A 68 -4.046 2.531 5.983 1.00 0.00 C ATOM 1102 O LEU A 68 -4.469 3.570 5.461 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.716 0.647 4.331 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.830 -0.016 3.267 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.610 -1.141 2.586 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.380 0.975 2.198 1.00 0.00 C ATOM 0 H LEU A 68 -2.147 -0.057 6.047 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.411 2.353 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.146 -0.134 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.545 1.145 3.829 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.945 -0.402 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.982 -1.613 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.903 -1.883 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.502 -0.731 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.756 0.462 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.254 1.394 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.808 1.778 2.664 1.00 0.00 H new ATOM 1118 N THR A 69 -4.518 2.083 7.150 1.00 0.00 N ATOM 1119 CA THR A 69 -5.578 2.720 7.957 1.00 0.00 C ATOM 1120 C THR A 69 -5.126 3.898 8.810 1.00 0.00 C ATOM 1121 O THR A 69 -5.885 4.860 8.926 1.00 0.00 O ATOM 1122 CB THR A 69 -6.337 1.655 8.743 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.013 0.887 7.778 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.414 2.174 9.690 1.00 0.00 C ATOM 0 H THR A 69 -4.161 1.231 7.582 1.00 0.00 H new ATOM 0 HA THR A 69 -6.265 3.193 7.255 1.00 0.00 H new ATOM 0 HB THR A 69 -5.605 1.132 9.359 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.439 0.148 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.889 1.334 10.196 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.961 2.834 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.163 2.726 9.122 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.904 3.900 9.342 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.273 5.135 9.809 1.00 0.00 C ATOM 1134 C ASN A 70 -1.753 5.074 9.557 1.00 0.00 C ATOM 1135 O ASN A 70 -0.991 4.723 10.470 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.674 5.436 11.268 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.361 6.871 11.671 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.364 7.459 11.276 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.191 7.486 12.484 1.00 0.00 N ATOM 0 H ASN A 70 -3.333 3.063 9.460 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.638 5.987 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.741 5.250 11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.150 4.751 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.000 8.444 12.779 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.026 7.006 12.820 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.295 5.430 8.338 1.00 0.00 N ATOM 1147 CA PRO A 71 0.112 5.310 7.946 1.00 0.00 C ATOM 1148 C PRO A 71 0.978 6.284 8.736 1.00 0.00 C ATOM 1149 O PRO A 71 2.096 5.969 9.127 1.00 0.00 O ATOM 1150 CB PRO A 71 0.147 5.596 6.436 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.116 6.418 6.181 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.103 5.883 7.208 1.00 0.00 C ATOM 0 HA PRO A 71 0.515 4.320 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.044 6.147 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.146 4.673 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.935 7.484 6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.483 6.284 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.806 6.657 7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.692 5.064 6.795 1.00 0.00 H new ATOM 1160 N LYS A 72 0.414 7.462 9.015 1.00 0.00 N ATOM 1161 CA LYS A 72 1.028 8.571 9.743 1.00 0.00 C ATOM 1162 C LYS A 72 1.316 8.238 11.210 1.00 0.00 C ATOM 1163 O LYS A 72 2.278 8.759 11.760 1.00 0.00 O ATOM 1164 CB LYS A 72 0.088 9.775 9.599 1.00 0.00 C ATOM 1165 CG LYS A 72 0.828 11.121 9.547 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.087 12.201 8.952 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.234 12.002 7.434 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.511 12.542 6.920 1.00 0.00 N ATOM 0 H LYS A 72 -0.539 7.678 8.721 1.00 0.00 H new ATOM 0 HA LYS A 72 2.007 8.793 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.504 9.658 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.610 9.784 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.143 11.411 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.731 11.026 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.067 12.159 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.325 13.189 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.596 12.490 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.171 10.939 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.376 12.888 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.231 11.792 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.825 13.326 7.526 1.00 0.00 H new ATOM 1182 N LYS A 73 0.494 7.376 11.821 1.00 0.00 N ATOM 1183 CA LYS A 73 0.722 6.734 13.121 1.00 0.00 C ATOM 1184 C LYS A 73 1.780 5.638 13.015 1.00 0.00 C ATOM 1185 O LYS A 73 2.719 5.617 13.799 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.612 6.161 13.639 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.516 5.462 15.004 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.811 4.723 15.385 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.813 3.222 15.028 1.00 0.00 C ATOM 1190 NZ LYS A 73 -2.074 2.919 13.598 1.00 0.00 N ATOM 0 H LYS A 73 -0.392 7.094 11.401 1.00 0.00 H new ATOM 0 HA LYS A 73 1.095 7.477 13.826 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.338 6.971 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.997 5.451 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.311 4.752 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.285 6.201 15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.975 4.830 16.457 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.651 5.205 14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.848 2.797 15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.568 2.720 15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.874 1.915 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.070 3.120 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.461 3.509 13.001 1.00 0.00 H new ATOM 1204 N TYR A 74 1.572 4.673 12.119 1.00 0.00 N ATOM 1205 CA TYR A 74 2.373 3.442 12.041 1.00 0.00 C ATOM 1206 C TYR A 74 3.830 3.671 11.619 1.00 0.00 C ATOM 1207 O TYR A 74 4.735 2.937 12.017 1.00 0.00 O ATOM 1208 CB TYR A 74 1.705 2.493 11.045 1.00 0.00 C ATOM 1209 CG TYR A 74 2.156 1.050 11.177 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.842 0.334 12.346 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.872 0.411 10.143 1.00 0.00 C ATOM 1212 CE1 TYR A 74 2.219 -1.013 12.484 1.00 0.00 C ATOM 1213 CE2 TYR A 74 3.227 -0.946 10.262 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.900 -1.657 11.437 1.00 0.00 C ATOM 1215 OH TYR A 74 3.316 -2.941 11.607 1.00 0.00 O ATOM 0 H TYR A 74 0.834 4.721 11.416 1.00 0.00 H new ATOM 0 HA TYR A 74 2.409 3.021 13.046 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.625 2.540 11.181 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.914 2.838 10.032 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.306 0.824 13.145 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.149 0.964 9.258 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.986 -1.551 13.391 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.748 -1.442 9.456 1.00 0.00 H new ATOM 0 HH TYR A 74 2.986 -3.492 10.867 1.00 0.00 H new ATOM 1225 N ILE A 75 4.040 4.707 10.814 1.00 0.00 N ATOM 1226 CA ILE A 75 5.350 5.200 10.402 1.00 0.00 C ATOM 1227 C ILE A 75 5.382 6.718 10.661 1.00 0.00 C ATOM 1228 O ILE A 75 5.088 7.501 9.754 1.00 0.00 O ATOM 1229 CB ILE A 75 5.652 4.784 8.944 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.488 3.262 8.758 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.086 5.216 8.583 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.882 2.706 7.384 1.00 0.00 C ATOM 0 H ILE A 75 3.273 5.248 10.415 1.00 0.00 H new ATOM 0 HA ILE A 75 6.156 4.753 10.984 1.00 0.00 H new ATOM 0 HB ILE A 75 4.942 5.278 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.085 2.757 9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.446 3.003 8.948 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.306 4.926 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.176 6.298 8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.793 4.731 9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.725 1.627 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.269 3.172 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.933 2.922 7.192 1.00 0.00 H new ATOM 1244 N PRO A 76 5.694 7.164 11.893 1.00 0.00 N ATOM 1245 CA PRO A 76 5.678 8.579 12.257 1.00 0.00 C ATOM 1246 C PRO A 76 6.724 9.346 11.442 1.00 0.00 C ATOM 1247 O PRO A 76 7.921 9.094 11.566 1.00 0.00 O ATOM 1248 CB PRO A 76 5.921 8.624 13.770 1.00 0.00 C ATOM 1249 CG PRO A 76 6.691 7.336 14.054 1.00 0.00 C ATOM 1250 CD PRO A 76 6.125 6.356 13.027 1.00 0.00 C ATOM 0 HA PRO A 76 4.730 9.066 12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.495 9.505 14.057 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.983 8.660 14.325 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.765 7.473 13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.530 6.987 15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.879 5.630 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.290 5.793 13.444 1.00 0.00 H new ATOM 1258 N GLY A 77 6.274 10.241 10.559 1.00 0.00 N ATOM 1259 CA GLY A 77 7.141 10.952 9.610 1.00 0.00 C ATOM 1260 C GLY A 77 7.224 10.323 8.212 1.00 0.00 C ATOM 1261 O GLY A 77 8.002 10.794 7.387 1.00 0.00 O ATOM 0 H GLY A 77 5.290 10.496 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.782 11.977 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.146 11.005 10.029 1.00 0.00 H new ATOM 1265 N THR A 78 6.434 9.283 7.915 1.00 0.00 N ATOM 1266 CA THR A 78 6.320 8.688 6.570 1.00 0.00 C ATOM 1267 C THR A 78 6.039 9.713 5.473 1.00 0.00 C ATOM 1268 O THR A 78 5.286 10.671 5.662 1.00 0.00 O ATOM 1269 CB THR A 78 5.232 7.603 6.517 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.225 6.969 5.256 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.804 8.083 6.781 1.00 0.00 C ATOM 0 H THR A 78 5.846 8.822 8.610 1.00 0.00 H new ATOM 0 HA THR A 78 7.298 8.245 6.379 1.00 0.00 H new ATOM 0 HB THR A 78 5.505 6.929 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.528 6.280 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.119 7.238 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.747 8.525 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.527 8.829 6.036 1.00 0.00 H new ATOM 1279 N LYS A 79 6.561 9.437 4.273 1.00 0.00 N ATOM 1280 CA LYS A 79 6.258 10.179 3.046 1.00 0.00 C ATOM 1281 C LYS A 79 4.831 9.886 2.533 1.00 0.00 C ATOM 1282 O LYS A 79 4.287 10.693 1.784 1.00 0.00 O ATOM 1283 CB LYS A 79 7.398 9.910 2.035 1.00 0.00 C ATOM 1284 CG LYS A 79 7.595 11.000 0.966 1.00 0.00 C ATOM 1285 CD LYS A 79 9.045 11.125 0.438 1.00 0.00 C ATOM 1286 CE LYS A 79 9.494 10.086 -0.609 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.347 9.005 -0.051 1.00 0.00 N ATOM 0 H LYS A 79 7.221 8.674 4.125 1.00 0.00 H new ATOM 0 HA LYS A 79 6.234 11.253 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.331 9.791 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.201 8.963 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.932 10.792 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.289 11.960 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.165 12.118 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.723 11.065 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.611 9.640 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.041 10.596 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.708 8.413 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.146 9.425 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.785 8.420 0.599 1.00 0.00 H new ATOM 1301 N MET A 80 4.162 8.810 2.990 1.00 0.00 N ATOM 1302 CA MET A 80 2.740 8.544 2.744 1.00 0.00 C ATOM 1303 C MET A 80 1.837 9.526 3.518 1.00 0.00 C ATOM 1304 O MET A 80 1.217 9.187 4.526 1.00 0.00 O ATOM 1305 CB MET A 80 2.416 7.062 3.025 1.00 0.00 C ATOM 1306 CG MET A 80 0.954 6.741 2.675 1.00 0.00 C ATOM 1307 SD MET A 80 0.565 5.085 2.004 1.00 0.00 S ATOM 1308 CE MET A 80 -1.223 5.036 2.271 1.00 0.00 C ATOM 0 H MET A 80 4.610 8.087 3.553 1.00 0.00 H new ATOM 0 HA MET A 80 2.525 8.721 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.081 6.424 2.443 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.599 6.839 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.358 6.883 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.616 7.481 1.950 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.626 4.108 1.865 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.433 5.086 3.339 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.689 5.884 1.769 1.00 0.00 H new ATOM 1318 N ALA A 81 1.719 10.753 3.004 1.00 0.00 N ATOM 1319 CA ALA A 81 0.929 11.853 3.564 1.00 0.00 C ATOM 1320 C ALA A 81 -0.595 11.622 3.660 1.00 0.00 C ATOM 1321 O ALA A 81 -1.324 12.491 4.144 1.00 0.00 O ATOM 1322 CB ALA A 81 1.256 13.119 2.760 1.00 0.00 C ATOM 0 H ALA A 81 2.196 11.020 2.143 1.00 0.00 H new ATOM 0 HA ALA A 81 1.220 11.946 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.682 13.958 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.321 13.337 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.998 12.962 1.713 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.063 10.447 3.258 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.447 9.971 3.251 1.00 0.00 C ATOM 1330 C PHE A 82 -3.148 10.079 4.625 1.00 0.00 C ATOM 1331 O PHE A 82 -2.510 10.214 5.677 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.403 8.521 2.737 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.743 7.848 2.509 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.609 8.324 1.509 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.109 6.715 3.262 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.832 7.675 1.267 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.324 6.057 3.006 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.194 6.544 2.018 1.00 0.00 C ATOM 0 H PHE A 82 -0.428 9.736 2.895 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.051 10.605 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.849 8.507 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.836 7.922 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.334 9.190 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.453 6.351 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.496 8.047 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.589 5.175 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.138 6.051 1.836 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.484 10.011 4.617 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.319 10.014 5.824 1.00 0.00 C ATOM 1350 C GLY A 83 -5.581 8.604 6.357 1.00 0.00 C ATOM 1351 O GLY A 83 -5.013 8.199 7.367 1.00 0.00 O ATOM 0 H GLY A 83 -5.026 9.951 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.832 10.607 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.270 10.498 5.603 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.449 7.871 5.659 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.953 6.543 6.011 1.00 0.00 C ATOM 1357 C GLY A 84 -8.406 6.361 5.534 1.00 0.00 C ATOM 1358 O GLY A 84 -9.089 7.337 5.228 1.00 0.00 O ATOM 0 H GLY A 84 -6.842 8.209 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.320 5.778 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.901 6.405 7.091 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.893 5.116 5.471 1.00 0.00 N ATOM 1363 CA LEU A 85 -10.268 4.757 5.134 1.00 0.00 C ATOM 1364 C LEU A 85 -10.920 4.065 6.339 1.00 0.00 C ATOM 1365 O LEU A 85 -10.660 2.893 6.596 1.00 0.00 O ATOM 1366 CB LEU A 85 -10.267 3.861 3.878 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.629 4.471 2.616 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.671 3.461 1.466 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.329 5.755 2.167 1.00 0.00 C ATOM 0 H LEU A 85 -8.312 4.300 5.662 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.854 5.647 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.742 2.936 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.298 3.592 3.647 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.599 4.719 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.218 3.902 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.119 2.565 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.706 3.197 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.839 6.143 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.374 5.541 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.273 6.497 2.963 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.738 4.788 7.114 1.00 0.00 N ATOM 1382 CA LYS A 86 -12.319 4.358 8.410 1.00 0.00 C ATOM 1383 C LYS A 86 -13.402 3.248 8.338 1.00 0.00 C ATOM 1384 O LYS A 86 -14.338 3.231 9.138 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.826 5.612 9.152 1.00 0.00 C ATOM 1386 CG LYS A 86 -12.784 5.432 10.681 1.00 0.00 C ATOM 1387 CD LYS A 86 -13.744 6.398 11.385 1.00 0.00 C ATOM 1388 CE LYS A 86 -13.693 6.159 12.898 1.00 0.00 C ATOM 1389 NZ LYS A 86 -14.719 6.957 13.613 1.00 0.00 N ATOM 0 H LYS A 86 -12.031 5.729 6.852 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.518 3.869 8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.217 6.471 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.847 5.830 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.047 4.405 10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.769 5.599 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.470 7.429 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.759 6.251 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.846 5.100 13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.703 6.417 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.655 6.770 14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.558 7.969 13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.665 6.692 13.271 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.322 2.353 7.353 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.261 1.266 7.050 1.00 0.00 C ATOM 1405 C LYS A 87 -13.486 0.034 6.579 1.00 0.00 C ATOM 1406 O LYS A 87 -13.136 -0.031 5.402 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.211 1.700 5.917 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.322 2.696 6.268 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.164 2.915 4.998 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.338 3.870 5.226 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.123 4.043 3.977 1.00 0.00 N ATOM 0 H LYS A 87 -12.542 2.368 6.696 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.831 1.033 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.608 2.136 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.679 0.804 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.942 2.310 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.897 3.638 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.526 3.312 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.544 1.955 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.982 3.481 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.966 4.837 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.915 4.694 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.510 4.435 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.494 3.121 3.670 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.299 -0.979 7.425 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.701 -2.247 6.957 1.00 0.00 C ATOM 1427 C GLU A 88 -13.474 -2.897 5.789 1.00 0.00 C ATOM 1428 O GLU A 88 -12.885 -3.563 4.957 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.456 -3.236 8.109 1.00 0.00 C ATOM 1430 CG GLU A 88 -11.195 -2.930 8.949 1.00 0.00 C ATOM 1431 CD GLU A 88 -9.848 -3.168 8.221 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -9.561 -2.413 7.262 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -9.082 -4.069 8.630 1.00 0.00 O ATOM 0 H GLU A 88 -13.543 -0.958 8.415 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.725 -1.977 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.326 -3.234 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.370 -4.242 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.237 -1.890 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.218 -3.545 9.848 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.770 -2.627 5.600 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.511 -2.943 4.364 1.00 0.00 C ATOM 1442 C LYS A 89 -14.835 -2.389 3.090 1.00 0.00 C ATOM 1443 O LYS A 89 -14.515 -3.145 2.182 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.935 -2.397 4.506 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.768 -2.990 5.655 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.545 -4.261 5.276 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.360 -4.743 6.490 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.330 -5.818 6.148 1.00 0.00 N ATOM 0 H LYS A 89 -15.347 -2.176 6.310 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.523 -4.026 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.878 -1.317 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.466 -2.571 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.105 -3.218 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.474 -2.236 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.209 -4.058 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.854 -5.041 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.677 -5.108 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.899 -3.898 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.849 -6.102 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.002 -5.466 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.818 -6.638 5.765 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.645 -1.070 3.047 1.00 0.00 N ATOM 1463 CA ASP A 90 -14.001 -0.305 1.955 1.00 0.00 C ATOM 1464 C ASP A 90 -12.538 -0.757 1.719 1.00 0.00 C ATOM 1465 O ASP A 90 -12.057 -0.846 0.590 1.00 0.00 O ATOM 1466 CB ASP A 90 -14.074 1.191 2.343 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.297 2.175 1.186 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.469 2.347 0.787 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.342 2.881 0.783 1.00 0.00 O ATOM 0 H ASP A 90 -14.949 -0.465 3.810 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.521 -0.483 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.881 1.320 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.147 1.460 2.850 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.841 -1.094 2.812 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.470 -1.636 2.863 1.00 0.00 C ATOM 1476 C ARG A 91 -10.352 -3.071 2.361 1.00 0.00 C ATOM 1477 O ARG A 91 -9.380 -3.376 1.683 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.974 -1.641 4.311 1.00 0.00 C ATOM 1479 CG ARG A 91 -10.045 -0.280 5.021 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.660 0.261 5.304 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.977 0.690 4.069 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.186 1.734 3.974 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -6.929 2.461 5.014 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.642 2.083 2.839 1.00 0.00 N ATOM 0 H ARG A 91 -12.241 -0.990 3.744 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.880 -0.991 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.561 -2.362 4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.941 -1.989 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.596 0.428 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.597 -0.382 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.732 1.104 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.065 -0.505 5.801 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.130 0.135 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.342 2.225 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.313 3.270 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.828 1.540 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.032 2.899 2.796 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.283 -3.951 2.711 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.245 -5.375 2.367 1.00 0.00 C ATOM 1500 C ASN A 92 -11.443 -5.627 0.863 1.00 0.00 C ATOM 1501 O ASN A 92 -10.830 -6.545 0.307 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.260 -6.151 3.232 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.747 -6.388 4.648 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.601 -6.723 4.862 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.573 -6.271 5.657 1.00 0.00 N ATOM 0 H ASN A 92 -12.106 -3.692 3.255 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.246 -5.750 2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.197 -5.596 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.478 -7.110 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.249 -6.461 6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.540 -5.990 5.495 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.209 -4.776 0.175 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.204 -4.711 -1.296 1.00 0.00 C ATOM 1514 C ASP A 93 -10.799 -4.402 -1.839 1.00 0.00 C ATOM 1515 O ASP A 93 -10.291 -5.106 -2.715 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.192 -3.635 -1.775 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.594 -4.169 -2.033 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.727 -5.245 -2.656 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.547 -3.421 -1.700 1.00 0.00 O ATOM 0 H ASP A 93 -12.848 -4.114 0.615 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.509 -5.686 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.245 -2.843 -1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.810 -3.184 -2.691 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.167 -3.357 -1.291 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.840 -2.870 -1.671 1.00 0.00 C ATOM 1526 C LEU A 94 -7.757 -3.930 -1.434 1.00 0.00 C ATOM 1527 O LEU A 94 -6.973 -4.200 -2.337 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.555 -1.551 -0.917 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.697 -0.511 -1.662 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.266 -0.962 -1.935 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.331 -0.117 -2.992 1.00 0.00 C ATOM 0 H LEU A 94 -10.585 -2.807 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.821 -2.668 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.509 -1.089 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.059 -1.794 0.022 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.656 0.341 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.730 -0.173 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.764 -1.173 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.279 -1.863 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.700 0.618 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.430 -1.000 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.316 0.313 -2.812 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.746 -4.573 -0.260 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.879 -5.720 0.052 1.00 0.00 C ATOM 1545 C ILE A 95 -7.101 -6.820 -0.984 1.00 0.00 C ATOM 1546 O ILE A 95 -6.135 -7.236 -1.615 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.089 -6.246 1.493 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.736 -5.160 2.536 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.218 -7.491 1.761 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.345 -5.430 3.915 1.00 0.00 C ATOM 0 H ILE A 95 -8.351 -4.306 0.517 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.843 -5.386 0.004 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.142 -6.512 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.652 -5.095 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.083 -4.192 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.385 -7.839 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.486 -8.281 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.167 -7.234 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.060 -4.632 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.431 -5.467 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.978 -6.383 4.295 1.00 0.00 H new ATOM 1562 N THR A 96 -8.350 -7.253 -1.214 1.00 0.00 N ATOM 1563 CA THR A 96 -8.684 -8.284 -2.218 1.00 0.00 C ATOM 1564 C THR A 96 -8.127 -7.929 -3.602 1.00 0.00 C ATOM 1565 O THR A 96 -7.539 -8.780 -4.265 1.00 0.00 O ATOM 1566 CB THR A 96 -10.201 -8.539 -2.320 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.747 -8.879 -1.067 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.540 -9.720 -3.233 1.00 0.00 C ATOM 0 H THR A 96 -9.162 -6.899 -0.709 1.00 0.00 H new ATOM 0 HA THR A 96 -8.210 -9.202 -1.871 1.00 0.00 H new ATOM 0 HB THR A 96 -10.612 -7.610 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.926 -8.062 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.621 -9.854 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.166 -9.522 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.074 -10.626 -2.844 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.259 -6.675 -4.035 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.648 -6.173 -5.268 1.00 0.00 C ATOM 1578 C TYR A 97 -6.113 -6.215 -5.246 1.00 0.00 C ATOM 1579 O TYR A 97 -5.521 -6.835 -6.124 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.140 -4.753 -5.572 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.420 -4.121 -6.748 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.651 -4.615 -8.046 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.462 -3.109 -6.544 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.974 -4.065 -9.151 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.762 -2.577 -7.646 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.036 -3.028 -8.952 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.407 -2.459 -10.014 1.00 0.00 O ATOM 0 H TYR A 97 -8.800 -5.970 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.965 -6.846 -6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.210 -4.781 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.002 -4.129 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.353 -5.422 -8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.264 -2.742 -5.548 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.171 -4.434 -10.147 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.010 -1.818 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.796 -1.762 -9.697 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.462 -5.563 -4.276 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.001 -5.390 -4.245 1.00 0.00 C ATOM 1599 C LEU A 98 -3.275 -6.728 -4.152 1.00 0.00 C ATOM 1600 O LEU A 98 -2.248 -6.942 -4.789 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.590 -4.482 -3.061 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.603 -3.346 -3.386 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -1.334 -3.803 -4.097 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -3.263 -2.260 -4.229 1.00 0.00 C ATOM 0 H LEU A 98 -5.937 -5.135 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.709 -4.915 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.493 -4.041 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.148 -5.108 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.312 -2.954 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.694 -2.942 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.802 -4.518 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.597 -4.277 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.539 -1.473 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.615 -2.691 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.107 -1.839 -3.683 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.860 -7.651 -3.389 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.462 -9.055 -3.341 1.00 0.00 C ATOM 1618 C LYS A 99 -3.529 -9.681 -4.740 1.00 0.00 C ATOM 1619 O LYS A 99 -2.514 -10.165 -5.224 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.314 -9.744 -2.265 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.836 -11.141 -1.853 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.427 -12.251 -2.723 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.029 -13.606 -2.135 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.637 -14.712 -2.908 1.00 0.00 N ATOM 0 H LYS A 99 -4.643 -7.436 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.419 -9.181 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.336 -9.109 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.339 -9.820 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.748 -11.180 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.105 -11.320 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.513 -12.161 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.062 -12.162 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.944 -13.706 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.349 -13.664 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.221 -15.297 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.232 -14.320 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.886 -15.298 -3.326 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.665 -9.576 -5.441 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.902 -10.124 -6.804 1.00 0.00 C ATOM 1640 C LYS A 100 -4.127 -9.421 -7.931 1.00 0.00 C ATOM 1641 O LYS A 100 -4.217 -9.798 -9.098 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.413 -10.066 -7.066 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.994 -10.979 -8.167 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.647 -12.471 -8.011 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.435 -12.843 -8.871 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.720 -14.034 -8.361 1.00 0.00 N ATOM 0 H LYS A 100 -5.482 -9.091 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.522 -11.145 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.923 -10.303 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.669 -9.037 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.079 -10.871 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.631 -10.634 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.437 -12.692 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.504 -13.080 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.763 -13.031 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.747 -11.998 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.845 -14.173 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.485 -13.895 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.327 -14.873 -8.461 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.435 -8.348 -7.571 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.482 -7.600 -8.374 1.00 0.00 C ATOM 1662 C ALA A 101 -1.006 -7.982 -8.130 1.00 0.00 C ATOM 1663 O ALA A 101 -0.153 -7.545 -8.900 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.729 -6.109 -8.132 1.00 0.00 C ATOM 0 H ALA A 101 -3.535 -7.949 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.649 -7.856 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.026 -5.523 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.748 -5.857 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.589 -5.884 -7.075 1.00 0.00 H new ATOM 1670 N THR A 102 -0.684 -8.791 -7.113 1.00 0.00 N ATOM 1671 CA THR A 102 0.677 -9.311 -6.866 1.00 0.00 C ATOM 1672 C THR A 102 0.802 -10.836 -7.050 1.00 0.00 C ATOM 1673 O THR A 102 1.918 -11.351 -7.072 1.00 0.00 O ATOM 1674 CB THR A 102 1.193 -8.900 -5.481 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.583 -9.117 -5.431 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.584 -9.680 -4.315 1.00 0.00 C ATOM 0 H THR A 102 -1.367 -9.110 -6.426 1.00 0.00 H new ATOM 0 HA THR A 102 1.302 -8.852 -7.632 1.00 0.00 H new ATOM 0 HB THR A 102 0.909 -7.854 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.812 -9.898 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.008 -9.322 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.496 -9.534 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.806 -10.741 -4.432 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.322 -11.556 -7.132 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.509 -12.987 -7.444 1.00 0.00 C ATOM 1686 C GLU A 103 -1.806 -13.176 -8.223 1.00 0.00 C ATOM 1687 O GLU A 103 -2.026 -14.252 -8.817 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.534 -13.841 -6.160 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.697 -13.589 -5.176 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.964 -14.452 -5.372 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.990 -15.600 -4.873 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.071 -13.939 -5.680 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.659 -12.270 -8.163 1.00 0.00 O ATOM 0 H GLU A 103 -1.222 -11.107 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 103 0.334 -13.319 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.558 -14.891 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.403 -13.679 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.328 -13.750 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.984 -12.540 -5.248 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 0.787 4.703 -0.329 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.116 3.899 0.488 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.022 1.341 -0.330 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.470 5.567 -1.081 1.00 0.00 C HETATM 1705 CHD HEC A 104 1.758 8.010 -0.904 1.00 0.00 C HETATM 1706 NA HEC A 104 1.854 2.925 0.081 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.179 2.856 0.414 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.477 1.464 0.670 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.332 0.743 0.404 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.297 1.684 0.028 1.00 0.00 C HETATM 1711 CMA HEC A 104 2.189 -0.758 0.522 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.788 0.898 1.176 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.812 0.637 0.071 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.086 -0.083 0.554 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.903 -0.503 -0.289 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.306 -0.246 1.772 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.952 3.641 -0.629 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.042 2.277 -0.618 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.404 1.946 -0.989 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.115 3.130 -1.073 1.00 0.00 C HETATM 1721 C4B HEC A 104 -2.163 4.206 -0.924 1.00 0.00 C HETATM 1722 CMB HEC A 104 -2.932 0.560 -1.294 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.614 3.301 -1.281 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.419 2.779 -0.092 1.00 0.00 C HETATM 1725 NC HEC A 104 -0.196 6.498 -0.842 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.521 6.587 -1.094 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.807 7.951 -1.471 1.00 0.00 C HETATM 1728 C3C HEC A 104 -0.607 8.634 -1.490 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.406 7.701 -1.040 1.00 0.00 C HETATM 1730 CMC HEC A 104 -3.149 8.444 -1.950 1.00 0.00 C HETATM 1731 CAC HEC A 104 -0.347 10.011 -2.086 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.922 11.154 -1.244 1.00 0.00 C HETATM 1733 ND HEC A 104 2.628 5.796 -0.189 1.00 0.00 N HETATM 1734 C1D HEC A 104 2.743 7.113 -0.482 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.123 7.465 -0.302 1.00 0.00 C HETATM 1736 C3D HEC A 104 4.781 6.341 0.159 1.00 0.00 C HETATM 1737 C4D HEC A 104 3.829 5.249 0.164 1.00 0.00 C HETATM 1738 CMD HEC A 104 4.727 8.807 -0.639 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.211 6.282 0.637 1.00 0.00 C HETATM 1740 CBD HEC A 104 7.210 6.827 -0.378 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.634 6.636 0.067 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.952 7.037 1.214 1.00 0.00 O HETATM 1743 O2D HEC A 104 9.462 6.319 -0.801 1.00 0.00 O HETATM 0 HMD3 HEC A 104 4.594 9.009 -1.702 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 4.233 9.585 -0.057 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 5.791 8.797 -0.402 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -3.433 7.906 -2.854 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.897 8.272 -1.176 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -3.089 9.511 -2.166 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.385 0.140 -2.138 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.800 -0.080 -0.422 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -3.992 0.621 -1.542 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.899 -1.245 -0.147 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.390 -1.063 1.549 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 1.175 -1.049 0.249 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 7.061 6.329 -1.336 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.020 7.888 -0.538 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -2.002 11.033 -1.156 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -0.473 11.136 -0.251 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.701 12.107 -1.725 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.214 1.718 0.049 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.136 3.326 0.807 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.483 2.921 -0.283 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.343 0.039 -0.711 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 6.094 1.588 -0.381 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.300 6.848 1.564 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 6.467 5.248 0.869 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.217 1.590 1.900 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.591 -0.035 1.704 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.070 9.026 -1.144 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.518 5.843 -1.200 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.273 0.282 -0.389 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.127 3.656 0.815 1.00 0.00 H new HETATM 0 H2A HEC A 104 7.811 0.519 2.118 1.00 0.00 H new