USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 877 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 HIS : no HE2:sc= -2.79! C(o=-4!,f=-21!) USER MOD Set 2.2: A 80 MET CE :methyl 164:sc= -1.22 (180deg=-0.00485) USER MOD Set 3.1: A 63 ASN :FLIP amide:sc= -0.0121 F(o=-6.9!,f=-5.2) USER MOD Set 3.2: A 74 TYR OH : rot 140:sc= -5.21! USER MOD Set 4.1: A 40 SER OG : rot 141:sc= -1.37! USER MOD Set 4.2: A 52 ASN : amide:sc= 0.297 K(o=-3.2,f=-7.2!) USER MOD Set 4.3: A 56 ASN :FLIP amide:sc= -2.09! C(o=-11!,f=-3.2!) USER MOD Set 5.1: A 19 THR OG1 : rot -77:sc= 0.879 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -1.46! C(o=-8.8!,f=-0.58!) 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+ 159:sc= -0.0582 (180deg=-0.472) USER MOD Single : A 8 THR OG1 : rot -38:sc= 0.401 USER MOD Single : A -5 THR N :NH3+ 152:sc= -0.202 (180deg=-0.955) USER MOD Single : A -5 THR OG1 : rot -64:sc= 1.1 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -24:sc= 0.652 USER MOD Single : A 16 GLN : amide:sc=-0.000799 K(o=-0.0008,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 39 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-1.9!) USER MOD Single : A 42 GLN :FLIP amide:sc= -3.45! C(o=-9.8!,f=-3.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -130:sc= -3.7! USER MOD Single : A 49 THR OG1 : rot -65:sc= 0.0465 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -167:sc= -0.421 (180deg=-0.804) USER MOD Single : A 65 SER OG : rot 78:sc= -2.37! USER MOD Single : A 69 THR OG1 : rot -122:sc= -1.35! USER MOD Single : A 70 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.017) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -78:sc= 0.123 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= -1.6 (180deg=-4.02!) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0335 (180deg=-0.473) USER MOD Single : A 92 ASN :FLIP amide:sc= -2.77! C(o=-4.1!,f=-2.8!) USER MOD Single : A 96 THR OG1 : rot 71:sc= 0.289 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -124:sc= -2.39! (180deg=-4.89!) USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= -4.4! (180deg=-8.48!) USER MOD Single : A 102 THR OG1 : rot -41:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -20.122 -6.049 1.160 1.00 0.00 N ATOM 2 CA THR A -5 -19.315 -6.293 2.389 1.00 0.00 C ATOM 3 C THR A -5 -17.897 -6.712 1.996 1.00 0.00 C ATOM 4 O THR A -5 -17.333 -7.631 2.555 1.00 0.00 O ATOM 5 CB THR A -5 -19.965 -7.409 3.214 1.00 0.00 C ATOM 6 OG1 THR A -5 -19.097 -7.775 4.277 1.00 0.00 O ATOM 7 CG2 THR A -5 -20.223 -8.622 2.320 1.00 0.00 C ATOM 0 H1 THR A -5 -21.126 -6.232 1.362 1.00 0.00 H new ATOM 0 H2 THR A -5 -20.004 -5.061 0.858 1.00 0.00 H new ATOM 0 H3 THR A -5 -19.800 -6.684 0.402 1.00 0.00 H new ATOM 0 HA THR A -5 -19.273 -5.379 2.981 1.00 0.00 H new ATOM 0 HB THR A -5 -20.912 -7.056 3.623 1.00 0.00 H new ATOM 0 HG1 THR A -5 -18.270 -8.152 3.909 1.00 0.00 H new ATOM 0 HG21 THR A -5 -20.685 -9.415 2.908 1.00 0.00 H new ATOM 0 HG22 THR A -5 -20.889 -8.338 1.505 1.00 0.00 H new ATOM 0 HG23 THR A -5 -19.279 -8.978 1.909 1.00 0.00 H new ATOM 17 N GLU A -4 -17.318 -6.046 1.035 1.00 0.00 N ATOM 18 CA GLU A -4 -15.938 -6.407 0.605 1.00 0.00 C ATOM 19 C GLU A -4 -14.972 -6.215 1.775 1.00 0.00 C ATOM 20 O GLU A -4 -14.006 -6.937 1.921 1.00 0.00 O ATOM 21 CB GLU A -4 -15.514 -5.507 -0.559 1.00 0.00 C ATOM 22 CG GLU A -4 -16.413 -5.778 -1.767 1.00 0.00 C ATOM 23 CD GLU A -4 -15.947 -4.928 -2.952 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.097 -4.077 -2.746 1.00 0.00 O ATOM 25 OE2 GLU A -4 -16.448 -5.142 -4.043 1.00 0.00 O ATOM 0 H GLU A -4 -17.741 -5.268 0.529 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.919 -7.449 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.585 -4.459 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -14.472 -5.696 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.379 -6.836 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.449 -5.543 -1.523 1.00 0.00 H new ATOM 32 N PHE A -3 -15.224 -5.245 2.612 1.00 0.00 N ATOM 33 CA PHE A -3 -14.319 -5.008 3.772 1.00 0.00 C ATOM 34 C PHE A -3 -14.955 -5.576 5.043 1.00 0.00 C ATOM 35 O PHE A -3 -16.105 -5.323 5.338 1.00 0.00 O ATOM 36 CB PHE A -3 -14.098 -3.505 3.951 1.00 0.00 C ATOM 37 CG PHE A -3 -13.100 -3.274 5.062 1.00 0.00 C ATOM 38 CD1 PHE A -3 -13.535 -3.208 6.392 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.740 -3.127 4.762 1.00 0.00 C ATOM 40 CE1 PHE A -3 -12.609 -2.995 7.420 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.816 -2.912 5.792 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.252 -2.848 7.120 1.00 0.00 C ATOM 0 H PHE A -3 -16.017 -4.607 2.542 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.364 -5.500 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.733 -3.067 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -15.042 -3.013 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -14.584 -3.321 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.404 -3.179 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -12.944 -2.944 8.446 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.767 -2.796 5.561 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.539 -2.685 7.914 1.00 0.00 H new ATOM 52 N LYS A -2 -14.211 -6.335 5.801 1.00 0.00 N ATOM 53 CA LYS A -2 -14.767 -6.911 7.054 1.00 0.00 C ATOM 54 C LYS A -2 -14.217 -6.136 8.252 1.00 0.00 C ATOM 55 O LYS A -2 -13.223 -5.442 8.150 1.00 0.00 O ATOM 56 CB LYS A -2 -14.357 -8.378 7.167 1.00 0.00 C ATOM 57 CG LYS A -2 -12.836 -8.474 7.283 1.00 0.00 C ATOM 58 CD LYS A -2 -12.418 -9.942 7.243 1.00 0.00 C ATOM 59 CE LYS A -2 -13.035 -10.675 8.432 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.095 -11.724 8.915 1.00 0.00 N ATOM 0 H LYS A -2 -13.241 -6.580 5.604 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.855 -6.839 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.828 -8.832 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.702 -8.931 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -12.362 -7.927 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -12.501 -8.014 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.745 -10.400 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -11.332 -10.024 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.252 -9.970 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.983 -11.128 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.517 -12.222 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.909 -12.403 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.201 -11.281 9.209 1.00 0.00 H new ATOM 74 N ALA A -1 -14.853 -6.243 9.384 1.00 0.00 N ATOM 75 CA ALA A -1 -14.363 -5.508 10.585 1.00 0.00 C ATOM 76 C ALA A -1 -12.909 -5.891 10.860 1.00 0.00 C ATOM 77 O ALA A -1 -12.575 -7.053 10.983 1.00 0.00 O ATOM 78 CB ALA A -1 -15.226 -5.873 11.794 1.00 0.00 C ATOM 0 H ALA A -1 -15.690 -6.807 9.531 1.00 0.00 H new ATOM 0 HA ALA A -1 -14.427 -4.435 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.868 -5.336 12.672 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -16.262 -5.598 11.598 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.164 -6.946 11.975 1.00 0.00 H new ATOM 84 N GLY A 1 -12.040 -4.922 10.961 1.00 0.00 N ATOM 85 CA GLY A 1 -10.608 -5.231 11.230 1.00 0.00 C ATOM 86 C GLY A 1 -10.049 -4.228 12.242 1.00 0.00 C ATOM 87 O GLY A 1 -10.635 -3.191 12.487 1.00 0.00 O ATOM 0 H GLY A 1 -12.260 -3.930 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.511 -6.246 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.035 -5.186 10.304 1.00 0.00 H new ATOM 91 N SER A 2 -8.920 -4.526 12.830 1.00 0.00 N ATOM 92 CA SER A 2 -8.325 -3.587 13.824 1.00 0.00 C ATOM 93 C SER A 2 -7.050 -2.975 13.241 1.00 0.00 C ATOM 94 O SER A 2 -6.197 -3.667 12.725 1.00 0.00 O ATOM 95 CB SER A 2 -7.981 -4.351 15.104 1.00 0.00 C ATOM 96 OG SER A 2 -7.509 -3.436 16.083 1.00 0.00 O ATOM 0 H SER A 2 -8.385 -5.379 12.664 1.00 0.00 H new ATOM 0 HA SER A 2 -9.040 -2.797 14.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.861 -4.877 15.475 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.222 -5.105 14.898 1.00 0.00 H new ATOM 0 HG SER A 2 -7.289 -3.921 16.905 1.00 0.00 H new ATOM 102 N ALA A 3 -6.919 -1.680 13.315 1.00 0.00 N ATOM 103 CA ALA A 3 -5.704 -1.017 12.762 1.00 0.00 C ATOM 104 C ALA A 3 -4.508 -1.260 13.685 1.00 0.00 C ATOM 105 O ALA A 3 -3.371 -1.090 13.295 1.00 0.00 O ATOM 106 CB ALA A 3 -5.955 0.487 12.642 1.00 0.00 C ATOM 0 H ALA A 3 -7.602 -1.050 13.736 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.487 -1.434 11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.067 0.973 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.800 0.663 11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.177 0.898 13.627 1.00 0.00 H new ATOM 112 N LYS A 4 -4.750 -1.638 14.910 1.00 0.00 N ATOM 113 CA LYS A 4 -3.619 -1.869 15.852 1.00 0.00 C ATOM 114 C LYS A 4 -2.667 -2.923 15.278 1.00 0.00 C ATOM 115 O LYS A 4 -1.467 -2.736 15.249 1.00 0.00 O ATOM 116 CB LYS A 4 -4.173 -2.357 17.196 1.00 0.00 C ATOM 117 CG LYS A 4 -3.042 -2.474 18.227 1.00 0.00 C ATOM 118 CD LYS A 4 -2.712 -1.093 18.800 1.00 0.00 C ATOM 119 CE LYS A 4 -1.756 -1.249 19.983 1.00 0.00 C ATOM 120 NZ LYS A 4 -0.585 -0.343 19.799 1.00 0.00 N ATOM 0 H LYS A 4 -5.680 -1.797 15.299 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.073 -0.937 15.995 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.933 -1.664 17.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.659 -3.324 17.067 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.339 -3.149 19.030 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.156 -2.904 17.760 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.258 -0.467 18.032 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.626 -0.592 19.120 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.271 -1.011 20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.421 -2.283 20.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.066 -0.449 20.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.090 -0.590 18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.913 0.642 19.747 1.00 0.00 H new ATOM 134 N LYS A 5 -3.185 -4.032 14.821 1.00 0.00 N ATOM 135 CA LYS A 5 -2.295 -5.086 14.255 1.00 0.00 C ATOM 136 C LYS A 5 -1.652 -4.580 12.961 1.00 0.00 C ATOM 137 O LYS A 5 -0.450 -4.632 12.789 1.00 0.00 O ATOM 138 CB LYS A 5 -3.119 -6.341 13.958 1.00 0.00 C ATOM 139 CG LYS A 5 -3.667 -6.914 15.266 1.00 0.00 C ATOM 140 CD LYS A 5 -4.394 -8.229 14.982 1.00 0.00 C ATOM 141 CE LYS A 5 -5.049 -8.739 16.268 1.00 0.00 C ATOM 142 NZ LYS A 5 -6.165 -7.831 16.651 1.00 0.00 N ATOM 0 H LYS A 5 -4.181 -4.253 14.815 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.513 -5.324 14.976 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.940 -6.099 13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.501 -7.084 13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.853 -7.081 15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.349 -6.202 15.730 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.150 -8.080 14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.692 -8.970 14.601 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.424 -9.752 16.121 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.312 -8.786 17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.821 -8.334 17.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.782 -6.998 17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.673 -7.526 15.796 1.00 0.00 H new ATOM 156 N GLY A 6 -2.448 -4.095 12.048 1.00 0.00 N ATOM 157 CA GLY A 6 -1.896 -3.588 10.760 1.00 0.00 C ATOM 158 C GLY A 6 -1.021 -2.357 11.009 1.00 0.00 C ATOM 159 O GLY A 6 -0.080 -2.098 10.285 1.00 0.00 O ATOM 0 H GLY A 6 -3.462 -4.028 12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.309 -4.368 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.710 -3.333 10.082 1.00 0.00 H new ATOM 163 N ALA A 7 -1.329 -1.588 12.017 1.00 0.00 N ATOM 164 CA ALA A 7 -0.521 -0.366 12.295 1.00 0.00 C ATOM 165 C ALA A 7 0.941 -0.746 12.527 1.00 0.00 C ATOM 166 O ALA A 7 1.843 -0.128 11.999 1.00 0.00 O ATOM 167 CB ALA A 7 -1.066 0.332 13.542 1.00 0.00 C ATOM 0 H ALA A 7 -2.104 -1.752 12.660 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.585 0.305 11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.476 1.225 13.746 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.106 0.614 13.376 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.005 -0.345 14.394 1.00 0.00 H new ATOM 173 N THR A 8 1.186 -1.757 13.311 1.00 0.00 N ATOM 174 CA THR A 8 2.591 -2.166 13.571 1.00 0.00 C ATOM 175 C THR A 8 3.166 -2.841 12.325 1.00 0.00 C ATOM 176 O THR A 8 4.321 -2.663 11.991 1.00 0.00 O ATOM 177 CB THR A 8 2.622 -3.143 14.745 1.00 0.00 C ATOM 178 OG1 THR A 8 1.942 -4.337 14.384 1.00 0.00 O ATOM 179 CG2 THR A 8 1.934 -2.509 15.956 1.00 0.00 C ATOM 0 H THR A 8 0.475 -2.316 13.782 1.00 0.00 H new ATOM 0 HA THR A 8 3.190 -1.288 13.812 1.00 0.00 H new ATOM 0 HB THR A 8 3.657 -3.376 14.997 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.159 -4.115 13.837 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.956 -3.206 16.793 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.456 -1.593 16.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.899 -2.276 15.706 1.00 0.00 H new ATOM 187 N LEU A 9 2.373 -3.608 11.624 1.00 0.00 N ATOM 188 CA LEU A 9 2.893 -4.275 10.397 1.00 0.00 C ATOM 189 C LEU A 9 3.381 -3.193 9.440 1.00 0.00 C ATOM 190 O LEU A 9 4.421 -3.309 8.823 1.00 0.00 O ATOM 191 CB LEU A 9 1.775 -5.080 9.731 1.00 0.00 C ATOM 192 CG LEU A 9 2.352 -5.894 8.572 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.849 -7.243 9.092 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.269 -6.123 7.516 1.00 0.00 C ATOM 0 H LEU A 9 1.396 -3.800 11.846 1.00 0.00 H new ATOM 0 HA LEU A 9 3.708 -4.952 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.308 -5.744 10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.997 -4.409 9.366 1.00 0.00 H new ATOM 0 HG LEU A 9 3.183 -5.348 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.260 -7.823 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.623 -7.081 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.019 -7.789 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.682 -6.703 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.436 -6.667 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.916 -5.162 7.143 1.00 0.00 H new ATOM 206 N PHE A 10 2.636 -2.130 9.330 1.00 0.00 N ATOM 207 CA PHE A 10 3.043 -1.016 8.435 1.00 0.00 C ATOM 208 C PHE A 10 4.362 -0.442 8.952 1.00 0.00 C ATOM 209 O PHE A 10 5.299 -0.217 8.207 1.00 0.00 O ATOM 210 CB PHE A 10 1.958 0.066 8.471 1.00 0.00 C ATOM 211 CG PHE A 10 2.258 1.133 7.448 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.898 0.941 6.109 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.892 2.315 7.839 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.177 1.932 5.163 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.169 3.305 6.892 1.00 0.00 C ATOM 216 CZ PHE A 10 2.813 3.115 5.555 1.00 0.00 C ATOM 0 H PHE A 10 1.756 -1.985 9.826 1.00 0.00 H new ATOM 0 HA PHE A 10 3.169 -1.368 7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.983 -0.378 8.270 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.907 0.509 9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.405 0.029 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.168 2.464 8.873 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.901 1.784 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.659 4.218 7.195 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.028 3.881 4.824 1.00 0.00 H new ATOM 226 N LYS A 11 4.431 -0.208 10.233 1.00 0.00 N ATOM 227 CA LYS A 11 5.671 0.347 10.839 1.00 0.00 C ATOM 228 C LYS A 11 6.826 -0.643 10.672 1.00 0.00 C ATOM 229 O LYS A 11 7.960 -0.263 10.458 1.00 0.00 O ATOM 230 CB LYS A 11 5.430 0.575 12.335 1.00 0.00 C ATOM 231 CG LYS A 11 6.578 1.400 12.919 1.00 0.00 C ATOM 232 CD LYS A 11 6.369 1.572 14.425 1.00 0.00 C ATOM 233 CE LYS A 11 7.428 2.525 14.981 1.00 0.00 C ATOM 234 NZ LYS A 11 7.376 2.511 16.471 1.00 0.00 N ATOM 0 H LYS A 11 3.672 -0.380 10.892 1.00 0.00 H new ATOM 0 HA LYS A 11 5.925 1.284 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.483 1.093 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.357 -0.382 12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.530 0.905 12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.623 2.375 12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.372 1.965 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.436 0.606 14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.418 2.225 14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.254 3.535 14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.096 3.159 16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.434 2.817 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.562 1.548 16.816 1.00 0.00 H new ATOM 248 N THR A 12 6.546 -1.910 10.804 1.00 0.00 N ATOM 249 CA THR A 12 7.623 -2.936 10.695 1.00 0.00 C ATOM 250 C THR A 12 8.149 -3.052 9.260 1.00 0.00 C ATOM 251 O THR A 12 9.318 -3.312 9.050 1.00 0.00 O ATOM 252 CB THR A 12 7.068 -4.292 11.137 1.00 0.00 C ATOM 253 OG1 THR A 12 6.063 -4.709 10.222 1.00 0.00 O ATOM 254 CG2 THR A 12 6.466 -4.168 12.537 1.00 0.00 C ATOM 0 H THR A 12 5.613 -2.281 10.984 1.00 0.00 H new ATOM 0 HA THR A 12 8.450 -2.631 11.336 1.00 0.00 H new ATOM 0 HB THR A 12 7.873 -5.027 11.155 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.685 -3.925 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.071 -5.135 12.850 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.237 -3.847 13.237 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.660 -3.434 12.523 1.00 0.00 H new ATOM 262 N ARG A 13 7.316 -2.894 8.267 1.00 0.00 N ATOM 263 CA ARG A 13 7.823 -3.035 6.872 1.00 0.00 C ATOM 264 C ARG A 13 7.032 -2.154 5.899 1.00 0.00 C ATOM 265 O ARG A 13 6.468 -2.639 4.939 1.00 0.00 O ATOM 266 CB ARG A 13 7.699 -4.497 6.433 1.00 0.00 C ATOM 267 CG ARG A 13 8.644 -5.371 7.260 1.00 0.00 C ATOM 268 CD ARG A 13 8.629 -6.799 6.712 1.00 0.00 C ATOM 269 NE ARG A 13 9.285 -6.824 5.374 1.00 0.00 N ATOM 270 CZ ARG A 13 9.813 -7.930 4.928 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.765 -9.015 5.652 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.387 -7.954 3.756 1.00 0.00 N ATOM 0 H ARG A 13 6.323 -2.677 8.358 1.00 0.00 H new ATOM 0 HA ARG A 13 8.866 -2.718 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.671 -4.838 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.938 -4.589 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.656 -4.967 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.337 -5.368 8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.150 -7.468 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.603 -7.159 6.633 1.00 0.00 H new ATOM 0 HE ARG A 13 9.321 -5.977 4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.314 -8.998 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.178 -9.880 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.423 -7.107 3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.800 -8.819 3.408 1.00 0.00 H new ATOM 286 N CYS A 14 6.995 -0.869 6.117 1.00 0.00 N ATOM 287 CA CYS A 14 6.250 0.011 5.173 1.00 0.00 C ATOM 288 C CYS A 14 6.487 1.483 5.525 1.00 0.00 C ATOM 289 O CYS A 14 6.794 2.291 4.672 1.00 0.00 O ATOM 290 CB CYS A 14 4.755 -0.301 5.247 1.00 0.00 C ATOM 291 SG CYS A 14 3.961 0.224 3.704 1.00 0.00 S ATOM 0 H CYS A 14 7.444 -0.393 6.900 1.00 0.00 H new ATOM 0 HA CYS A 14 6.609 -0.174 4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.601 -1.369 5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.305 0.214 6.096 1.00 0.00 H new ATOM 296 N LEU A 15 6.344 1.838 6.771 1.00 0.00 N ATOM 297 CA LEU A 15 6.558 3.260 7.170 1.00 0.00 C ATOM 298 C LEU A 15 7.964 3.702 6.760 1.00 0.00 C ATOM 299 O LEU A 15 8.176 4.826 6.353 1.00 0.00 O ATOM 300 CB LEU A 15 6.398 3.392 8.689 1.00 0.00 C ATOM 301 CG LEU A 15 6.552 4.858 9.119 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.279 5.640 8.793 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.795 4.910 10.626 1.00 0.00 C ATOM 0 H LEU A 15 6.089 1.207 7.531 1.00 0.00 H new ATOM 0 HA LEU A 15 5.823 3.892 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.420 3.019 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.144 2.778 9.194 1.00 0.00 H new ATOM 0 HG LEU A 15 7.391 5.302 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.400 6.678 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.093 5.601 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.435 5.199 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.906 5.948 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.949 4.461 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.704 4.359 10.867 1.00 0.00 H new ATOM 315 N GLN A 16 8.926 2.831 6.868 1.00 0.00 N ATOM 316 CA GLN A 16 10.314 3.212 6.489 1.00 0.00 C ATOM 317 C GLN A 16 10.336 3.684 5.034 1.00 0.00 C ATOM 318 O GLN A 16 11.090 4.564 4.669 1.00 0.00 O ATOM 319 CB GLN A 16 11.234 1.999 6.643 1.00 0.00 C ATOM 320 CG GLN A 16 11.299 1.593 8.116 1.00 0.00 C ATOM 321 CD GLN A 16 12.187 0.356 8.265 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.466 -0.326 7.300 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.645 0.035 9.444 1.00 0.00 N ATOM 0 H GLN A 16 8.812 1.874 7.201 1.00 0.00 H new ATOM 0 HA GLN A 16 10.659 4.017 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.863 1.169 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.232 2.237 6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.697 2.413 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.297 1.382 8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.411 0.607 10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.237 -0.788 9.554 1.00 0.00 H new ATOM 332 N CYS A 17 9.523 3.100 4.198 1.00 0.00 N ATOM 333 CA CYS A 17 9.510 3.511 2.765 1.00 0.00 C ATOM 334 C CYS A 17 8.393 4.525 2.503 1.00 0.00 C ATOM 335 O CYS A 17 8.587 5.505 1.811 1.00 0.00 O ATOM 336 CB CYS A 17 9.275 2.285 1.887 1.00 0.00 C ATOM 337 SG CYS A 17 10.701 1.176 1.986 1.00 0.00 S ATOM 0 H CYS A 17 8.868 2.358 4.444 1.00 0.00 H new ATOM 0 HA CYS A 17 10.471 3.969 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.374 1.763 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.113 2.592 0.854 1.00 0.00 H new ATOM 342 N HIS A 18 7.220 4.289 3.028 1.00 0.00 N ATOM 343 CA HIS A 18 6.089 5.230 2.782 1.00 0.00 C ATOM 344 C HIS A 18 5.810 6.063 4.037 1.00 0.00 C ATOM 345 O HIS A 18 5.575 5.535 5.106 1.00 0.00 O ATOM 346 CB HIS A 18 4.840 4.423 2.418 1.00 0.00 C ATOM 347 CG HIS A 18 4.992 3.837 1.040 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.882 4.600 -0.120 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.216 2.554 0.623 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.037 3.765 -1.170 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.241 2.513 -0.764 1.00 0.00 N ATOM 0 H HIS A 18 6.996 3.486 3.616 1.00 0.00 H new ATOM 0 HA HIS A 18 6.351 5.902 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.686 3.627 3.146 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.959 5.064 2.455 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.715 5.605 -0.168 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.353 1.703 1.274 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.000 4.073 -2.205 1.00 0.00 H new ATOM 359 N THR A 19 5.826 7.364 3.910 1.00 0.00 N ATOM 360 CA THR A 19 5.554 8.235 5.089 1.00 0.00 C ATOM 361 C THR A 19 4.042 8.407 5.266 1.00 0.00 C ATOM 362 O THR A 19 3.556 8.633 6.356 1.00 0.00 O ATOM 363 CB THR A 19 6.202 9.605 4.872 1.00 0.00 C ATOM 364 OG1 THR A 19 5.569 10.258 3.780 1.00 0.00 O ATOM 365 CG2 THR A 19 7.689 9.425 4.570 1.00 0.00 C ATOM 0 H THR A 19 6.016 7.860 3.039 1.00 0.00 H new ATOM 0 HA THR A 19 5.971 7.772 5.983 1.00 0.00 H new ATOM 0 HB THR A 19 6.088 10.209 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.897 9.879 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.150 10.401 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.173 8.924 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.807 8.822 3.670 1.00 0.00 H new ATOM 373 N VAL A 20 3.294 8.301 4.200 1.00 0.00 N ATOM 374 CA VAL A 20 1.814 8.459 4.306 1.00 0.00 C ATOM 375 C VAL A 20 1.464 9.881 4.747 1.00 0.00 C ATOM 376 O VAL A 20 0.313 10.267 4.763 1.00 0.00 O ATOM 377 CB VAL A 20 1.267 7.470 5.337 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.199 7.166 5.024 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.076 6.177 5.283 1.00 0.00 C ATOM 0 H VAL A 20 3.644 8.112 3.261 1.00 0.00 H new ATOM 0 HA VAL A 20 1.370 8.265 3.330 1.00 0.00 H new ATOM 0 HB VAL A 20 1.344 7.905 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.589 6.461 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.778 8.089 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.276 6.731 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.686 5.473 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.000 5.741 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.121 6.392 5.506 1.00 0.00 H new ATOM 389 N GLU A 21 2.440 10.668 5.111 1.00 0.00 N ATOM 390 CA GLU A 21 2.136 12.058 5.552 1.00 0.00 C ATOM 391 C GLU A 21 2.227 13.008 4.356 1.00 0.00 C ATOM 392 O GLU A 21 3.255 13.126 3.720 1.00 0.00 O ATOM 393 CB GLU A 21 3.146 12.490 6.620 1.00 0.00 C ATOM 394 CG GLU A 21 3.011 11.584 7.847 1.00 0.00 C ATOM 395 CD GLU A 21 1.616 11.747 8.455 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.973 12.740 8.158 1.00 0.00 O ATOM 397 OE2 GLU A 21 1.216 10.877 9.212 1.00 0.00 O ATOM 0 H GLU A 21 3.427 10.411 5.122 1.00 0.00 H new ATOM 0 HA GLU A 21 1.129 12.091 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.159 12.432 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.972 13.529 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.176 10.544 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.772 11.838 8.585 1.00 0.00 H new ATOM 404 N LYS A 22 1.158 13.690 4.048 1.00 0.00 N ATOM 405 CA LYS A 22 1.182 14.635 2.896 1.00 0.00 C ATOM 406 C LYS A 22 2.061 15.839 3.242 1.00 0.00 C ATOM 407 O LYS A 22 2.808 16.331 2.419 1.00 0.00 O ATOM 408 CB LYS A 22 -0.243 15.105 2.590 1.00 0.00 C ATOM 409 CG LYS A 22 -0.754 15.988 3.731 1.00 0.00 C ATOM 410 CD LYS A 22 -2.229 16.322 3.495 1.00 0.00 C ATOM 411 CE LYS A 22 -2.657 17.443 4.445 1.00 0.00 C ATOM 412 NZ LYS A 22 -4.092 17.769 4.215 1.00 0.00 N ATOM 0 H LYS A 22 0.269 13.634 4.544 1.00 0.00 H new ATOM 0 HA LYS A 22 1.590 14.131 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.259 15.661 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.900 14.245 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.634 15.474 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.167 16.905 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.382 16.629 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.844 15.437 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.504 17.135 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.041 18.328 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.383 18.531 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.224 18.080 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.673 16.925 4.392 1.00 0.00 H new ATOM 426 N GLY A 23 1.979 16.317 4.455 1.00 0.00 N ATOM 427 CA GLY A 23 2.809 17.488 4.854 1.00 0.00 C ATOM 428 C GLY A 23 4.289 17.149 4.681 1.00 0.00 C ATOM 429 O GLY A 23 5.086 17.980 4.295 1.00 0.00 O ATOM 0 H GLY A 23 1.372 15.946 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.550 18.354 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.605 17.755 5.891 1.00 0.00 H new ATOM 433 N GLY A 24 4.660 15.933 4.963 1.00 0.00 N ATOM 434 CA GLY A 24 6.089 15.536 4.818 1.00 0.00 C ATOM 435 C GLY A 24 6.420 15.356 3.334 1.00 0.00 C ATOM 436 O GLY A 24 5.547 15.124 2.522 1.00 0.00 O ATOM 0 H GLY A 24 4.036 15.195 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.735 16.297 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.277 14.608 5.359 1.00 0.00 H new ATOM 440 N PRO A 25 7.675 15.461 2.988 1.00 0.00 N ATOM 441 CA PRO A 25 8.138 15.304 1.578 1.00 0.00 C ATOM 442 C PRO A 25 8.090 13.843 1.126 1.00 0.00 C ATOM 443 O PRO A 25 7.359 13.041 1.671 1.00 0.00 O ATOM 444 CB PRO A 25 9.582 15.804 1.617 1.00 0.00 C ATOM 445 CG PRO A 25 10.033 15.569 3.019 1.00 0.00 C ATOM 446 CD PRO A 25 8.795 15.738 3.901 1.00 0.00 C ATOM 0 HA PRO A 25 7.509 15.849 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.206 15.264 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.641 16.860 1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.456 14.570 3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.811 16.278 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.806 15.046 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.734 16.744 4.316 1.00 0.00 H new ATOM 454 N HIS A 26 8.868 13.490 0.140 1.00 0.00 N ATOM 455 CA HIS A 26 8.868 12.079 -0.338 1.00 0.00 C ATOM 456 C HIS A 26 10.139 11.380 0.145 1.00 0.00 C ATOM 457 O HIS A 26 11.227 11.914 0.053 1.00 0.00 O ATOM 458 CB HIS A 26 8.831 12.057 -1.868 1.00 0.00 C ATOM 459 CG HIS A 26 7.506 12.578 -2.348 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.367 11.786 -2.375 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.120 13.806 -2.827 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.361 12.537 -2.855 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.767 13.775 -3.144 1.00 0.00 N ATOM 0 H HIS A 26 9.503 14.117 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 26 7.992 11.563 0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.640 12.667 -2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.987 11.041 -2.231 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.767 14.663 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.350 12.183 -2.990 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.203 14.538 -3.519 1.00 0.00 H new ATOM 472 N LYS A 27 10.007 10.187 0.656 1.00 0.00 N ATOM 473 CA LYS A 27 11.204 9.445 1.144 1.00 0.00 C ATOM 474 C LYS A 27 11.191 8.033 0.556 1.00 0.00 C ATOM 475 O LYS A 27 10.219 7.315 0.669 1.00 0.00 O ATOM 476 CB LYS A 27 11.165 9.363 2.672 1.00 0.00 C ATOM 477 CG LYS A 27 12.455 8.718 3.184 1.00 0.00 C ATOM 478 CD LYS A 27 12.385 8.578 4.706 1.00 0.00 C ATOM 479 CE LYS A 27 13.732 8.084 5.236 1.00 0.00 C ATOM 480 NZ LYS A 27 13.507 7.164 6.387 1.00 0.00 N ATOM 0 H LYS A 27 9.120 9.693 0.757 1.00 0.00 H new ATOM 0 HA LYS A 27 12.111 9.964 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.051 10.360 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.302 8.779 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.593 7.739 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.315 9.326 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.134 9.537 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.595 7.879 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.278 7.568 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.345 8.930 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.423 6.828 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.002 7.670 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.938 6.351 6.075 1.00 0.00 H new ATOM 494 N VAL A 28 12.262 7.630 -0.071 1.00 0.00 N ATOM 495 CA VAL A 28 12.304 6.266 -0.665 1.00 0.00 C ATOM 496 C VAL A 28 11.093 6.076 -1.582 1.00 0.00 C ATOM 497 O VAL A 28 11.171 6.270 -2.779 1.00 0.00 O ATOM 498 CB VAL A 28 12.272 5.221 0.452 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.027 3.836 -0.150 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.614 5.225 1.188 1.00 0.00 C ATOM 0 H VAL A 28 13.108 8.186 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 28 13.220 6.147 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 28 11.470 5.460 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.004 3.092 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.073 3.832 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.829 3.596 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.594 4.481 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.414 4.985 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.791 6.211 1.617 1.00 0.00 H new ATOM 510 N GLY A 29 9.971 5.700 -1.030 1.00 0.00 N ATOM 511 CA GLY A 29 8.757 5.499 -1.868 1.00 0.00 C ATOM 512 C GLY A 29 7.842 6.721 -1.750 1.00 0.00 C ATOM 513 O GLY A 29 7.959 7.508 -0.832 1.00 0.00 O ATOM 0 H GLY A 29 9.844 5.523 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.043 5.345 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.226 4.603 -1.548 1.00 0.00 H new ATOM 517 N PRO A 30 6.939 6.870 -2.680 1.00 0.00 N ATOM 518 CA PRO A 30 5.974 8.012 -2.702 1.00 0.00 C ATOM 519 C PRO A 30 5.060 8.022 -1.471 1.00 0.00 C ATOM 520 O PRO A 30 4.789 6.997 -0.883 1.00 0.00 O ATOM 521 CB PRO A 30 5.154 7.786 -3.976 1.00 0.00 C ATOM 522 CG PRO A 30 5.357 6.353 -4.342 1.00 0.00 C ATOM 523 CD PRO A 30 6.735 5.962 -3.814 1.00 0.00 C ATOM 0 HA PRO A 30 6.490 8.972 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.099 8.000 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.487 8.445 -4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.581 5.727 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.302 6.217 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.764 4.918 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.506 6.089 -4.573 1.00 0.00 H new ATOM 531 N ASN A 31 4.584 9.172 -1.079 1.00 0.00 N ATOM 532 CA ASN A 31 3.691 9.239 0.112 1.00 0.00 C ATOM 533 C ASN A 31 2.263 8.871 -0.305 1.00 0.00 C ATOM 534 O ASN A 31 1.799 9.251 -1.361 1.00 0.00 O ATOM 535 CB ASN A 31 3.699 10.662 0.676 1.00 0.00 C ATOM 536 CG ASN A 31 5.142 11.120 0.899 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.005 10.296 1.426 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.488 12.242 0.588 1.00 0.00 N flip ATOM 0 H ASN A 31 4.774 10.066 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 31 4.045 8.542 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.195 11.339 -0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.148 10.694 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.814 12.888 0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.452 12.539 0.739 1.00 0.00 H new ATOM 545 N LEU A 32 1.561 8.135 0.516 1.00 0.00 N ATOM 546 CA LEU A 32 0.163 7.749 0.158 1.00 0.00 C ATOM 547 C LEU A 32 -0.827 8.691 0.845 1.00 0.00 C ATOM 548 O LEU A 32 -0.664 9.052 1.993 1.00 0.00 O ATOM 549 CB LEU A 32 -0.114 6.314 0.612 1.00 0.00 C ATOM 550 CG LEU A 32 0.751 5.337 -0.193 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.215 5.433 0.249 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.248 3.910 0.035 1.00 0.00 C ATOM 0 H LEU A 32 1.893 7.786 1.415 1.00 0.00 H new ATOM 0 HA LEU A 32 0.045 7.819 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.100 6.212 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.169 6.077 0.475 1.00 0.00 H new ATOM 0 HG LEU A 32 0.682 5.593 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.817 4.734 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.579 6.447 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.292 5.186 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.861 3.213 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.313 3.666 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.789 3.833 -0.292 1.00 0.00 H new ATOM 564 N HIS A 33 -1.859 9.083 0.150 1.00 0.00 N ATOM 565 CA HIS A 33 -2.870 9.993 0.758 1.00 0.00 C ATOM 566 C HIS A 33 -4.060 10.130 -0.193 1.00 0.00 C ATOM 567 O HIS A 33 -4.047 10.926 -1.112 1.00 0.00 O ATOM 568 CB HIS A 33 -2.246 11.369 0.999 1.00 0.00 C ATOM 569 CG HIS A 33 -3.238 12.255 1.701 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.683 11.992 2.989 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.879 13.404 1.309 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.554 12.963 3.322 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.707 13.845 2.334 1.00 0.00 N ATOM 0 H HIS A 33 -2.046 8.812 -0.815 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.206 9.581 1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.342 11.270 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.950 11.817 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.758 13.890 0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.065 13.020 4.272 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.306 14.670 2.331 1.00 0.00 H new ATOM 582 N GLY A 34 -5.090 9.355 0.015 1.00 0.00 N ATOM 583 CA GLY A 34 -6.277 9.437 -0.881 1.00 0.00 C ATOM 584 C GLY A 34 -6.068 8.504 -2.073 1.00 0.00 C ATOM 585 O GLY A 34 -6.842 8.488 -3.008 1.00 0.00 O ATOM 0 H GLY A 34 -5.160 8.669 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.179 9.156 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.418 10.461 -1.225 1.00 0.00 H new ATOM 589 N ILE A 35 -5.022 7.723 -2.045 1.00 0.00 N ATOM 590 CA ILE A 35 -4.752 6.789 -3.172 1.00 0.00 C ATOM 591 C ILE A 35 -5.941 5.844 -3.350 1.00 0.00 C ATOM 592 O ILE A 35 -6.158 5.300 -4.415 1.00 0.00 O ATOM 593 CB ILE A 35 -3.493 5.975 -2.868 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.015 5.278 -4.144 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.808 4.923 -1.802 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.601 4.734 -3.930 1.00 0.00 C ATOM 0 H ILE A 35 -4.341 7.693 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.604 7.360 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.712 6.641 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.693 4.465 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.024 5.979 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.910 4.344 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.148 5.418 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.590 4.258 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.261 4.238 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.927 5.557 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.607 4.020 -3.107 1.00 0.00 H new ATOM 608 N PHE A 36 -6.711 5.641 -2.319 1.00 0.00 N ATOM 609 CA PHE A 36 -7.880 4.729 -2.434 1.00 0.00 C ATOM 610 C PHE A 36 -8.951 5.377 -3.312 1.00 0.00 C ATOM 611 O PHE A 36 -9.302 6.527 -3.133 1.00 0.00 O ATOM 612 CB PHE A 36 -8.449 4.472 -1.040 1.00 0.00 C ATOM 613 CG PHE A 36 -7.452 3.690 -0.221 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.495 4.363 0.552 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.483 2.290 -0.229 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.573 3.636 1.313 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.561 1.564 0.532 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.605 2.237 1.303 1.00 0.00 C ATOM 0 H PHE A 36 -6.581 6.068 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.569 3.787 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.675 5.418 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.386 3.920 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.470 5.443 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.220 1.770 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.836 4.155 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.586 0.484 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.892 1.676 1.890 1.00 0.00 H new ATOM 628 N GLY A 37 -9.476 4.648 -4.258 1.00 0.00 N ATOM 629 CA GLY A 37 -10.526 5.219 -5.147 1.00 0.00 C ATOM 630 C GLY A 37 -9.883 6.174 -6.155 1.00 0.00 C ATOM 631 O GLY A 37 -10.541 7.020 -6.726 1.00 0.00 O ATOM 0 H GLY A 37 -9.222 3.680 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.047 4.418 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.271 5.749 -4.553 1.00 0.00 H new ATOM 635 N ARG A 38 -8.603 6.048 -6.379 1.00 0.00 N ATOM 636 CA ARG A 38 -7.928 6.955 -7.349 1.00 0.00 C ATOM 637 C ARG A 38 -6.895 6.174 -8.165 1.00 0.00 C ATOM 638 O ARG A 38 -6.550 5.055 -7.841 1.00 0.00 O ATOM 639 CB ARG A 38 -7.239 8.097 -6.598 1.00 0.00 C ATOM 640 CG ARG A 38 -8.294 8.939 -5.879 1.00 0.00 C ATOM 641 CD ARG A 38 -7.642 10.199 -5.308 1.00 0.00 C ATOM 642 NE ARG A 38 -7.318 11.136 -6.420 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.255 12.421 -6.198 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.467 12.889 -4.997 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.976 13.239 -7.176 1.00 0.00 N ATOM 0 H ARG A 38 -7.998 5.358 -5.934 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.675 7.370 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.525 7.696 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.675 8.717 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.091 9.211 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.752 8.359 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.314 10.679 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.735 9.937 -4.762 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.145 10.773 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.682 12.250 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.417 13.893 -4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.807 12.874 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.927 14.243 -7.003 1.00 0.00 H new ATOM 659 N HIS A 39 -6.405 6.755 -9.227 1.00 0.00 N ATOM 660 CA HIS A 39 -5.403 6.051 -10.074 1.00 0.00 C ATOM 661 C HIS A 39 -3.987 6.435 -9.633 1.00 0.00 C ATOM 662 O HIS A 39 -3.770 7.472 -9.038 1.00 0.00 O ATOM 663 CB HIS A 39 -5.602 6.448 -11.537 1.00 0.00 C ATOM 664 CG HIS A 39 -6.932 5.939 -12.020 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.096 6.688 -11.911 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.301 4.758 -12.617 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.099 5.958 -12.431 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.667 4.776 -12.874 1.00 0.00 N ATOM 0 H HIS A 39 -6.658 7.691 -9.544 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.536 4.975 -9.964 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.557 7.532 -11.640 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.799 6.036 -12.149 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.633 3.942 -12.850 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.126 6.288 -12.483 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.223 4.040 -13.310 1.00 0.00 H new ATOM 677 N SER A 40 -3.024 5.602 -9.921 1.00 0.00 N ATOM 678 CA SER A 40 -1.622 5.906 -9.521 1.00 0.00 C ATOM 679 C SER A 40 -1.121 7.131 -10.289 1.00 0.00 C ATOM 680 O SER A 40 -1.728 7.570 -11.244 1.00 0.00 O ATOM 681 CB SER A 40 -0.726 4.711 -9.846 1.00 0.00 C ATOM 682 OG SER A 40 -0.426 4.716 -11.235 1.00 0.00 O ATOM 0 H SER A 40 -3.150 4.720 -10.418 1.00 0.00 H new ATOM 0 HA SER A 40 -1.592 6.108 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.194 4.762 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.226 3.782 -9.573 1.00 0.00 H new ATOM 0 HG SER A 40 0.505 4.441 -11.370 1.00 0.00 H new ATOM 688 N GLY A 41 -0.014 7.685 -9.874 1.00 0.00 N ATOM 689 CA GLY A 41 0.532 8.881 -10.573 1.00 0.00 C ATOM 690 C GLY A 41 0.132 10.142 -9.808 1.00 0.00 C ATOM 691 O GLY A 41 0.584 11.230 -10.104 1.00 0.00 O ATOM 0 H GLY A 41 0.536 7.359 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.618 8.812 -10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.151 8.925 -11.593 1.00 0.00 H new ATOM 695 N GLN A 42 -0.713 10.004 -8.825 1.00 0.00 N ATOM 696 CA GLN A 42 -1.144 11.194 -8.038 1.00 0.00 C ATOM 697 C GLN A 42 0.067 11.828 -7.349 1.00 0.00 C ATOM 698 O GLN A 42 0.173 13.034 -7.251 1.00 0.00 O ATOM 699 CB GLN A 42 -2.161 10.762 -6.980 1.00 0.00 C ATOM 700 CG GLN A 42 -2.772 12.002 -6.326 1.00 0.00 C ATOM 701 CD GLN A 42 -3.675 11.575 -5.170 1.00 0.00 C ATOM 702 OE1 GLN A 42 -4.963 11.495 -5.361 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -3.204 11.302 -4.084 1.00 0.00 N flip ATOM 0 H GLN A 42 -1.125 9.118 -8.532 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.598 11.923 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.943 10.156 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.677 10.141 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.983 12.660 -5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.346 12.568 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.197 11.364 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.816 11.010 -3.322 1.00 0.00 H new ATOM 712 N ALA A 43 0.977 11.026 -6.866 1.00 0.00 N ATOM 713 CA ALA A 43 2.172 11.591 -6.180 1.00 0.00 C ATOM 714 C ALA A 43 3.072 12.279 -7.202 1.00 0.00 C ATOM 715 O ALA A 43 4.112 11.776 -7.577 1.00 0.00 O ATOM 716 CB ALA A 43 2.950 10.471 -5.494 1.00 0.00 C ATOM 0 H ALA A 43 0.944 10.008 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 43 1.847 12.316 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.824 10.889 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.311 9.981 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.272 9.743 -6.238 1.00 0.00 H new ATOM 722 N GLU A 44 2.680 13.434 -7.650 1.00 0.00 N ATOM 723 CA GLU A 44 3.505 14.172 -8.645 1.00 0.00 C ATOM 724 C GLU A 44 4.853 14.533 -8.019 1.00 0.00 C ATOM 725 O GLU A 44 5.862 14.604 -8.691 1.00 0.00 O ATOM 726 CB GLU A 44 2.773 15.451 -9.061 1.00 0.00 C ATOM 727 CG GLU A 44 1.480 15.089 -9.794 1.00 0.00 C ATOM 728 CD GLU A 44 1.812 14.326 -11.078 1.00 0.00 C ATOM 729 OE1 GLU A 44 2.947 14.409 -11.516 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.925 13.674 -11.603 1.00 0.00 O ATOM 0 H GLU A 44 1.819 13.903 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 44 3.669 13.546 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.547 16.055 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.412 16.054 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.845 14.480 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.920 15.993 -10.031 1.00 0.00 H new ATOM 737 N GLY A 45 4.875 14.766 -6.736 1.00 0.00 N ATOM 738 CA GLY A 45 6.154 15.127 -6.060 1.00 0.00 C ATOM 739 C GLY A 45 7.210 14.052 -6.332 1.00 0.00 C ATOM 740 O GLY A 45 8.379 14.348 -6.476 1.00 0.00 O ATOM 0 H GLY A 45 4.060 14.722 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.506 16.094 -6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.992 15.227 -4.987 1.00 0.00 H new ATOM 744 N TYR A 46 6.809 12.810 -6.399 1.00 0.00 N ATOM 745 CA TYR A 46 7.795 11.719 -6.658 1.00 0.00 C ATOM 746 C TYR A 46 7.529 11.114 -8.038 1.00 0.00 C ATOM 747 O TYR A 46 6.409 10.796 -8.383 1.00 0.00 O ATOM 748 CB TYR A 46 7.652 10.634 -5.587 1.00 0.00 C ATOM 749 CG TYR A 46 8.799 9.656 -5.705 1.00 0.00 C ATOM 750 CD1 TYR A 46 10.031 9.954 -5.110 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.633 8.456 -6.407 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.097 9.053 -5.217 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.701 7.553 -6.515 1.00 0.00 C ATOM 754 CZ TYR A 46 10.932 7.853 -5.919 1.00 0.00 C ATOM 755 OH TYR A 46 11.983 6.966 -6.025 1.00 0.00 O ATOM 0 H TYR A 46 5.843 12.504 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 46 8.806 12.126 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.646 11.086 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.702 10.113 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.159 10.879 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.683 8.226 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.047 9.284 -4.758 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.574 6.628 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 46 11.700 6.184 -6.543 1.00 0.00 H new ATOM 765 N SER A 47 8.554 10.955 -8.831 1.00 0.00 N ATOM 766 CA SER A 47 8.364 10.376 -10.192 1.00 0.00 C ATOM 767 C SER A 47 7.952 8.905 -10.079 1.00 0.00 C ATOM 768 O SER A 47 8.218 8.248 -9.093 1.00 0.00 O ATOM 769 CB SER A 47 9.675 10.476 -10.974 1.00 0.00 C ATOM 770 OG SER A 47 10.068 11.840 -11.056 1.00 0.00 O ATOM 0 H SER A 47 9.515 11.201 -8.595 1.00 0.00 H new ATOM 0 HA SER A 47 7.582 10.930 -10.711 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.451 9.890 -10.482 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.548 10.061 -11.974 1.00 0.00 H new ATOM 0 HG SER A 47 10.909 11.909 -11.555 1.00 0.00 H new ATOM 776 N TYR A 48 7.309 8.386 -11.092 1.00 0.00 N ATOM 777 CA TYR A 48 6.880 6.958 -11.062 1.00 0.00 C ATOM 778 C TYR A 48 7.692 6.159 -12.082 1.00 0.00 C ATOM 779 O TYR A 48 8.044 6.653 -13.135 1.00 0.00 O ATOM 780 CB TYR A 48 5.392 6.859 -11.413 1.00 0.00 C ATOM 781 CG TYR A 48 4.559 7.255 -10.219 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.236 8.599 -9.998 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.104 6.271 -9.334 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.459 8.957 -8.889 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.326 6.629 -8.227 1.00 0.00 C ATOM 786 CZ TYR A 48 3.005 7.971 -8.005 1.00 0.00 C ATOM 787 OH TYR A 48 2.234 8.322 -6.916 1.00 0.00 O ATOM 0 H TYR A 48 7.062 8.893 -11.942 1.00 0.00 H new ATOM 0 HA TYR A 48 7.046 6.554 -10.063 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.164 7.508 -12.259 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.147 5.841 -11.717 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.585 9.359 -10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.353 5.234 -9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.210 9.994 -8.716 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.974 5.869 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 48 2.606 7.913 -6.107 1.00 0.00 H new ATOM 797 N THR A 49 7.994 4.927 -11.778 1.00 0.00 N ATOM 798 CA THR A 49 8.784 4.098 -12.728 1.00 0.00 C ATOM 799 C THR A 49 7.884 3.650 -13.880 1.00 0.00 C ATOM 800 O THR A 49 6.674 3.678 -13.784 1.00 0.00 O ATOM 801 CB THR A 49 9.331 2.867 -12.000 1.00 0.00 C ATOM 802 OG1 THR A 49 8.266 1.966 -11.733 1.00 0.00 O ATOM 803 CG2 THR A 49 9.980 3.297 -10.684 1.00 0.00 C ATOM 0 H THR A 49 7.727 4.459 -10.912 1.00 0.00 H new ATOM 0 HA THR A 49 9.614 4.686 -13.120 1.00 0.00 H new ATOM 0 HB THR A 49 10.076 2.375 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.640 2.377 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.369 2.420 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.797 3.989 -10.890 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.237 3.789 -10.056 1.00 0.00 H new ATOM 811 N ASP A 50 8.467 3.238 -14.972 1.00 0.00 N ATOM 812 CA ASP A 50 7.650 2.792 -16.134 1.00 0.00 C ATOM 813 C ASP A 50 6.710 1.663 -15.703 1.00 0.00 C ATOM 814 O ASP A 50 5.603 1.545 -16.188 1.00 0.00 O ATOM 815 CB ASP A 50 8.573 2.287 -17.240 1.00 0.00 C ATOM 816 CG ASP A 50 9.373 3.458 -17.814 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.032 4.590 -17.507 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.311 3.206 -18.550 1.00 0.00 O ATOM 0 H ASP A 50 9.477 3.191 -15.109 1.00 0.00 H new ATOM 0 HA ASP A 50 7.061 3.632 -16.503 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.250 1.530 -16.845 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.988 1.812 -18.028 1.00 0.00 H new ATOM 823 N ALA A 51 7.146 0.826 -14.802 1.00 0.00 N ATOM 824 CA ALA A 51 6.285 -0.302 -14.350 1.00 0.00 C ATOM 825 C ALA A 51 4.877 0.204 -14.014 1.00 0.00 C ATOM 826 O ALA A 51 3.930 -0.052 -14.731 1.00 0.00 O ATOM 827 CB ALA A 51 6.903 -0.942 -13.105 1.00 0.00 C ATOM 0 H ALA A 51 8.063 0.875 -14.359 1.00 0.00 H new ATOM 0 HA ALA A 51 6.215 -1.037 -15.151 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.275 -1.768 -12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.898 -1.316 -13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.976 -0.198 -12.312 1.00 0.00 H new ATOM 833 N ASN A 52 4.725 0.906 -12.922 1.00 0.00 N ATOM 834 CA ASN A 52 3.373 1.407 -12.541 1.00 0.00 C ATOM 835 C ASN A 52 2.742 2.172 -13.707 1.00 0.00 C ATOM 836 O ASN A 52 1.567 2.032 -13.982 1.00 0.00 O ATOM 837 CB ASN A 52 3.494 2.334 -11.329 1.00 0.00 C ATOM 838 CG ASN A 52 2.095 2.772 -10.882 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.726 3.917 -11.048 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.296 1.903 -10.324 1.00 0.00 N ATOM 0 H ASN A 52 5.477 1.153 -12.279 1.00 0.00 H new ATOM 0 HA ASN A 52 2.739 0.556 -12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.004 1.821 -10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.096 3.206 -11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.362 2.186 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.606 0.941 -10.185 1.00 0.00 H new ATOM 847 N ILE A 53 3.501 2.979 -14.396 1.00 0.00 N ATOM 848 CA ILE A 53 2.921 3.735 -15.534 1.00 0.00 C ATOM 849 C ILE A 53 2.354 2.751 -16.559 1.00 0.00 C ATOM 850 O ILE A 53 1.194 2.808 -16.913 1.00 0.00 O ATOM 851 CB ILE A 53 4.017 4.577 -16.183 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.569 5.573 -15.160 1.00 0.00 C ATOM 853 CG2 ILE A 53 3.435 5.336 -17.368 1.00 0.00 C ATOM 854 CD1 ILE A 53 5.761 6.318 -15.764 1.00 0.00 C ATOM 0 H ILE A 53 4.492 3.145 -14.219 1.00 0.00 H new ATOM 0 HA ILE A 53 2.122 4.386 -15.179 1.00 0.00 H new ATOM 0 HB ILE A 53 4.822 3.927 -16.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.793 6.281 -14.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.875 5.049 -14.255 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.215 5.938 -17.833 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.041 4.627 -18.096 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.631 5.987 -17.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.154 7.027 -15.035 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.539 5.603 -16.031 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.440 6.855 -16.657 1.00 0.00 H new ATOM 866 N LYS A 54 3.163 1.842 -17.028 1.00 0.00 N ATOM 867 CA LYS A 54 2.669 0.846 -18.020 1.00 0.00 C ATOM 868 C LYS A 54 1.595 -0.027 -17.368 1.00 0.00 C ATOM 869 O LYS A 54 0.629 -0.412 -17.994 1.00 0.00 O ATOM 870 CB LYS A 54 3.832 -0.034 -18.484 1.00 0.00 C ATOM 871 CG LYS A 54 4.854 0.823 -19.234 1.00 0.00 C ATOM 872 CD LYS A 54 5.956 -0.075 -19.801 1.00 0.00 C ATOM 873 CE LYS A 54 7.031 0.789 -20.461 1.00 0.00 C ATOM 874 NZ LYS A 54 6.819 0.806 -21.936 1.00 0.00 N ATOM 0 H LYS A 54 4.144 1.746 -16.767 1.00 0.00 H new ATOM 0 HA LYS A 54 2.245 1.366 -18.879 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.304 -0.514 -17.626 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.464 -0.830 -19.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.364 1.369 -20.040 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.285 1.565 -18.562 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.396 -0.676 -19.005 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.535 -0.769 -20.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.990 1.804 -20.065 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.021 0.396 -20.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.550 1.394 -22.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.879 -0.164 -22.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.880 1.200 -22.147 1.00 0.00 H new ATOM 888 N LYS A 55 1.762 -0.342 -16.112 1.00 0.00 N ATOM 889 CA LYS A 55 0.756 -1.193 -15.416 1.00 0.00 C ATOM 890 C LYS A 55 -0.131 -0.310 -14.536 1.00 0.00 C ATOM 891 O LYS A 55 -0.567 -0.720 -13.479 1.00 0.00 O ATOM 892 CB LYS A 55 1.466 -2.218 -14.527 1.00 0.00 C ATOM 893 CG LYS A 55 0.508 -3.371 -14.213 1.00 0.00 C ATOM 894 CD LYS A 55 1.190 -4.364 -13.269 1.00 0.00 C ATOM 895 CE LYS A 55 0.310 -5.605 -13.110 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.774 -5.322 -12.129 1.00 0.00 N ATOM 0 H LYS A 55 2.552 -0.047 -15.538 1.00 0.00 H new ATOM 0 HA LYS A 55 0.152 -1.711 -16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.356 -2.597 -15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.799 -1.745 -13.603 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.403 -2.986 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.214 -3.873 -15.134 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.166 -4.646 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.361 -3.900 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.119 -5.885 -14.072 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.911 -6.449 -12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.373 -6.165 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.355 -5.074 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.353 -4.528 -12.471 1.00 0.00 H new ATOM 910 N ASN A 56 -0.397 0.899 -14.945 1.00 0.00 N ATOM 911 CA ASN A 56 -1.247 1.777 -14.096 1.00 0.00 C ATOM 912 C ASN A 56 -2.468 0.983 -13.640 1.00 0.00 C ATOM 913 O ASN A 56 -3.120 0.322 -14.422 1.00 0.00 O ATOM 914 CB ASN A 56 -1.697 3.007 -14.886 1.00 0.00 C ATOM 915 CG ASN A 56 -2.076 4.117 -13.904 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.112 3.851 -12.625 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -2.339 5.235 -14.302 1.00 0.00 N flip ATOM 0 H ASN A 56 -0.068 1.312 -15.818 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.674 2.113 -13.232 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.897 3.344 -15.545 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.548 2.757 -15.519 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.310 5.441 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.588 5.967 -13.637 1.00 0.00 H new ATOM 924 N VAL A 57 -2.768 1.025 -12.371 1.00 0.00 N ATOM 925 CA VAL A 57 -3.929 0.254 -11.850 1.00 0.00 C ATOM 926 C VAL A 57 -4.772 1.129 -10.923 1.00 0.00 C ATOM 927 O VAL A 57 -4.270 2.020 -10.265 1.00 0.00 O ATOM 928 CB VAL A 57 -3.411 -0.949 -11.065 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.599 -0.453 -9.868 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.595 -1.782 -10.567 1.00 0.00 C ATOM 0 H VAL A 57 -2.256 1.562 -11.671 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.546 -0.075 -12.687 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.781 -1.564 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.226 -1.307 -9.303 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.758 0.144 -10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.234 0.158 -9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.226 -2.641 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.224 -1.170 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.180 -2.129 -11.419 1.00 0.00 H new ATOM 940 N LEU A 58 -6.048 0.871 -10.855 1.00 0.00 N ATOM 941 CA LEU A 58 -6.923 1.674 -9.956 1.00 0.00 C ATOM 942 C LEU A 58 -6.699 1.207 -8.521 1.00 0.00 C ATOM 943 O LEU A 58 -6.717 0.027 -8.234 1.00 0.00 O ATOM 944 CB LEU A 58 -8.390 1.459 -10.344 1.00 0.00 C ATOM 945 CG LEU A 58 -9.297 2.269 -9.415 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.037 3.762 -9.611 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.761 1.964 -9.739 1.00 0.00 C ATOM 0 H LEU A 58 -6.523 0.139 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.683 2.733 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.550 1.762 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.641 0.400 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.085 1.998 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.685 4.334 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.995 3.983 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.245 4.035 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.408 2.541 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.968 2.233 -10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.951 0.900 -9.596 1.00 0.00 H new ATOM 959 N TRP A 59 -6.473 2.117 -7.616 1.00 0.00 N ATOM 960 CA TRP A 59 -6.232 1.709 -6.210 1.00 0.00 C ATOM 961 C TRP A 59 -7.521 1.821 -5.398 1.00 0.00 C ATOM 962 O TRP A 59 -8.131 2.869 -5.308 1.00 0.00 O ATOM 963 CB TRP A 59 -5.157 2.614 -5.610 1.00 0.00 C ATOM 964 CG TRP A 59 -3.847 2.283 -6.243 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.221 3.027 -7.181 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.998 1.126 -6.006 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.043 2.398 -7.538 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.861 1.222 -6.840 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.105 0.015 -5.156 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.864 0.246 -6.831 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.106 -0.967 -5.142 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.988 -0.853 -5.979 1.00 0.00 C ATOM 0 H TRP A 59 -6.445 3.122 -7.791 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.898 0.672 -6.184 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.406 3.661 -5.781 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.102 2.472 -4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.582 3.961 -7.586 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.389 2.759 -8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.963 -0.084 -4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.004 0.340 -7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.198 -1.817 -4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.223 -1.615 -5.965 1.00 0.00 H new ATOM 983 N ASP A 60 -7.925 0.736 -4.798 1.00 0.00 N ATOM 984 CA ASP A 60 -9.161 0.736 -3.969 1.00 0.00 C ATOM 985 C ASP A 60 -8.999 -0.300 -2.850 1.00 0.00 C ATOM 986 O ASP A 60 -8.002 -0.989 -2.777 1.00 0.00 O ATOM 987 CB ASP A 60 -10.371 0.385 -4.841 1.00 0.00 C ATOM 988 CG ASP A 60 -10.196 -1.021 -5.407 1.00 0.00 C ATOM 989 OD1 ASP A 60 -9.287 -1.699 -4.968 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.970 -1.390 -6.276 1.00 0.00 O ATOM 0 H ASP A 60 -7.444 -0.162 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.321 1.724 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.286 0.441 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.470 1.106 -5.652 1.00 0.00 H new ATOM 995 N GLU A 61 -9.951 -0.400 -1.967 1.00 0.00 N ATOM 996 CA GLU A 61 -9.823 -1.371 -0.840 1.00 0.00 C ATOM 997 C GLU A 61 -9.680 -2.806 -1.364 1.00 0.00 C ATOM 998 O GLU A 61 -8.913 -3.588 -0.838 1.00 0.00 O ATOM 999 CB GLU A 61 -11.074 -1.279 0.034 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.197 0.134 0.603 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.435 0.218 1.499 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.152 -0.764 1.579 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.643 1.265 2.090 1.00 0.00 O ATOM 0 H GLU A 61 -10.812 0.147 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.932 -1.124 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.959 -1.524 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.018 -2.005 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.304 0.386 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.272 0.859 -0.208 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.412 -3.166 -2.379 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.314 -4.558 -2.909 1.00 0.00 C ATOM 1012 C ASN A 62 -8.991 -4.761 -3.651 1.00 0.00 C ATOM 1013 O ASN A 62 -8.216 -5.646 -3.340 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.472 -4.811 -3.875 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.459 -6.275 -4.314 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.862 -7.148 -3.574 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -11.003 -6.580 -5.499 1.00 0.00 N ATOM 0 H ASN A 62 -11.073 -2.560 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.360 -5.255 -2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.420 -4.573 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.384 -4.159 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.985 -7.553 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.665 -5.845 -6.120 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.741 -3.959 -4.644 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.486 -4.100 -5.437 1.00 0.00 C ATOM 1026 C ASN A 63 -6.257 -3.915 -4.546 1.00 0.00 C ATOM 1027 O ASN A 63 -5.265 -4.601 -4.694 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.474 -3.049 -6.546 1.00 0.00 C ATOM 1029 CG ASN A 63 -6.322 -3.331 -7.510 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.373 -2.447 -7.646 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -6.283 -4.367 -8.145 1.00 0.00 N flip ATOM 0 H ASN A 63 -9.357 -3.204 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.453 -5.101 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.422 -3.062 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.366 -2.053 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.025 -5.059 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.508 -4.545 -8.784 1.00 0.00 H new ATOM 1038 N MET A 64 -6.304 -2.990 -3.632 1.00 0.00 N ATOM 1039 CA MET A 64 -5.125 -2.763 -2.750 1.00 0.00 C ATOM 1040 C MET A 64 -4.798 -4.048 -1.982 1.00 0.00 C ATOM 1041 O MET A 64 -3.649 -4.390 -1.799 1.00 0.00 O ATOM 1042 CB MET A 64 -5.435 -1.633 -1.764 1.00 0.00 C ATOM 1043 CG MET A 64 -4.168 -1.261 -0.992 1.00 0.00 C ATOM 1044 SD MET A 64 -3.111 -0.218 -2.030 1.00 0.00 S ATOM 1045 CE MET A 64 -3.959 1.354 -1.734 1.00 0.00 C ATOM 0 H MET A 64 -7.104 -2.382 -3.456 1.00 0.00 H new ATOM 0 HA MET A 64 -4.265 -2.484 -3.359 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.814 -0.763 -2.300 1.00 0.00 H new ATOM 0 HB3 MET A 64 -6.216 -1.946 -1.071 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.430 -0.733 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.631 -2.163 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.615 2.094 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.034 1.213 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.739 1.702 -0.725 1.00 0.00 H new ATOM 1055 N SER A 65 -5.796 -4.760 -1.534 1.00 0.00 N ATOM 1056 CA SER A 65 -5.527 -6.021 -0.780 1.00 0.00 C ATOM 1057 C SER A 65 -4.762 -7.006 -1.669 1.00 0.00 C ATOM 1058 O SER A 65 -3.854 -7.682 -1.227 1.00 0.00 O ATOM 1059 CB SER A 65 -6.853 -6.651 -0.353 1.00 0.00 C ATOM 1060 OG SER A 65 -7.627 -5.688 0.352 1.00 0.00 O ATOM 0 H SER A 65 -6.781 -4.526 -1.656 1.00 0.00 H new ATOM 0 HA SER A 65 -4.928 -5.790 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.399 -7.003 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.669 -7.520 0.279 1.00 0.00 H new ATOM 0 HG SER A 65 -8.040 -5.070 -0.286 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.123 -7.096 -2.917 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.421 -8.041 -3.826 1.00 0.00 C ATOM 1068 C GLU A 66 -2.946 -7.654 -3.932 1.00 0.00 C ATOM 1069 O GLU A 66 -2.082 -8.495 -4.080 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.067 -7.978 -5.209 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.513 -8.473 -5.122 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.138 -8.470 -6.517 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.513 -7.946 -7.426 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.233 -8.993 -6.654 1.00 0.00 O ATOM 0 H GLU A 66 -5.874 -6.556 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.497 -9.054 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.044 -6.956 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.504 -8.591 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.540 -9.479 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.088 -7.833 -4.453 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.651 -6.386 -3.869 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.233 -5.943 -3.978 1.00 0.00 C ATOM 1083 C HIS A 67 -0.402 -6.529 -2.841 1.00 0.00 C ATOM 1084 O HIS A 67 0.665 -7.066 -3.054 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.177 -4.420 -3.908 1.00 0.00 C ATOM 1086 CG HIS A 67 0.241 -3.966 -4.105 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.946 -4.263 -5.258 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.100 -3.236 -3.317 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.167 -3.719 -5.140 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.313 -3.085 -3.976 1.00 0.00 N ATOM 0 H HIS A 67 -3.331 -5.636 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.826 -6.291 -4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.820 -3.985 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.551 -4.075 -2.944 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.600 -4.799 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.868 -2.842 -2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.937 -3.786 -5.895 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.877 -6.431 -1.635 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.104 -6.976 -0.487 1.00 0.00 C ATOM 1101 C LEU A 68 0.157 -8.464 -0.701 1.00 0.00 C ATOM 1102 O LEU A 68 1.162 -8.990 -0.271 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.892 -6.757 0.804 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.714 -5.311 1.279 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.965 -4.346 0.119 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.713 -5.017 2.397 1.00 0.00 C ATOM 0 H LEU A 68 -1.768 -5.997 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 68 0.853 -6.460 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.948 -6.968 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.547 -7.448 1.573 1.00 0.00 H new ATOM 0 HG LEU A 68 0.304 -5.180 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.837 -3.320 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.256 -4.550 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.981 -4.479 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.588 -3.989 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.728 -5.155 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.537 -5.698 3.230 1.00 0.00 H new ATOM 1118 N THR A 69 -0.729 -9.152 -1.364 1.00 0.00 N ATOM 1119 CA THR A 69 -0.494 -10.602 -1.598 1.00 0.00 C ATOM 1120 C THR A 69 0.377 -10.777 -2.847 1.00 0.00 C ATOM 1121 O THR A 69 0.055 -10.298 -3.917 1.00 0.00 O ATOM 1122 CB THR A 69 -1.835 -11.314 -1.803 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.718 -10.967 -0.746 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.613 -12.828 -1.806 1.00 0.00 C ATOM 0 H THR A 69 -1.596 -8.778 -1.750 1.00 0.00 H new ATOM 0 HA THR A 69 0.013 -11.034 -0.735 1.00 0.00 H new ATOM 0 HB THR A 69 -2.268 -11.009 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.010 -11.780 -0.283 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.567 -13.335 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.933 -13.094 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.181 -13.134 -0.853 1.00 0.00 H new ATOM 1132 N ASN A 70 1.478 -11.467 -2.717 1.00 0.00 N ATOM 1133 CA ASN A 70 2.378 -11.689 -3.887 1.00 0.00 C ATOM 1134 C ASN A 70 2.514 -10.405 -4.718 1.00 0.00 C ATOM 1135 O ASN A 70 2.194 -10.384 -5.890 1.00 0.00 O ATOM 1136 CB ASN A 70 1.800 -12.799 -4.766 1.00 0.00 C ATOM 1137 CG ASN A 70 1.543 -14.044 -3.914 1.00 0.00 C ATOM 1138 OD1 ASN A 70 0.563 -14.735 -4.108 1.00 0.00 O ATOM 1139 ND2 ASN A 70 2.389 -14.359 -2.971 1.00 0.00 N ATOM 0 H ASN A 70 1.795 -11.890 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 70 3.364 -11.975 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.872 -12.464 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.492 -13.035 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.227 -15.186 -2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.212 -13.778 -2.809 1.00 0.00 H new ATOM 1146 N PRO A 71 2.996 -9.346 -4.120 1.00 0.00 N ATOM 1147 CA PRO A 71 3.190 -8.037 -4.820 1.00 0.00 C ATOM 1148 C PRO A 71 4.254 -8.109 -5.922 1.00 0.00 C ATOM 1149 O PRO A 71 4.289 -7.287 -6.816 1.00 0.00 O ATOM 1150 CB PRO A 71 3.658 -7.087 -3.714 1.00 0.00 C ATOM 1151 CG PRO A 71 4.189 -7.965 -2.633 1.00 0.00 C ATOM 1152 CD PRO A 71 3.405 -9.273 -2.712 1.00 0.00 C ATOM 0 HA PRO A 71 2.273 -7.720 -5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.427 -6.407 -4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.835 -6.472 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.256 -8.144 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.065 -7.497 -1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.020 -10.127 -2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.544 -9.265 -2.044 1.00 0.00 H new ATOM 1160 N ALA A 72 5.132 -9.073 -5.857 1.00 0.00 N ATOM 1161 CA ALA A 72 6.201 -9.174 -6.893 1.00 0.00 C ATOM 1162 C ALA A 72 5.573 -9.265 -8.285 1.00 0.00 C ATOM 1163 O ALA A 72 5.819 -8.438 -9.138 1.00 0.00 O ATOM 1164 CB ALA A 72 7.043 -10.425 -6.632 1.00 0.00 C ATOM 0 H ALA A 72 5.156 -9.793 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 72 6.833 -8.287 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.825 -10.501 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.498 -10.357 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.406 -11.308 -6.678 1.00 0.00 H new ATOM 1170 N LYS A 73 4.763 -10.258 -8.520 1.00 0.00 N ATOM 1171 CA LYS A 73 4.121 -10.391 -9.858 1.00 0.00 C ATOM 1172 C LYS A 73 3.232 -9.173 -10.122 1.00 0.00 C ATOM 1173 O LYS A 73 3.065 -8.741 -11.245 1.00 0.00 O ATOM 1174 CB LYS A 73 3.268 -11.661 -9.892 1.00 0.00 C ATOM 1175 CG LYS A 73 4.172 -12.886 -9.732 1.00 0.00 C ATOM 1176 CD LYS A 73 3.336 -14.160 -9.880 1.00 0.00 C ATOM 1177 CE LYS A 73 4.211 -15.381 -9.594 1.00 0.00 C ATOM 1178 NZ LYS A 73 5.025 -15.704 -10.800 1.00 0.00 N ATOM 0 H LYS A 73 4.517 -10.983 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 73 4.893 -10.451 -10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.527 -11.636 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.721 -11.720 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.963 -12.868 -10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.657 -12.868 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.491 -14.135 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.924 -14.222 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.864 -15.182 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.587 -16.233 -9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.620 -16.534 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.393 -15.911 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.630 -14.893 -11.038 1.00 0.00 H new ATOM 1192 N TYR A 74 2.650 -8.628 -9.090 1.00 0.00 N ATOM 1193 CA TYR A 74 1.756 -7.448 -9.262 1.00 0.00 C ATOM 1194 C TYR A 74 2.512 -6.294 -9.936 1.00 0.00 C ATOM 1195 O TYR A 74 2.037 -5.707 -10.887 1.00 0.00 O ATOM 1196 CB TYR A 74 1.270 -7.006 -7.882 1.00 0.00 C ATOM 1197 CG TYR A 74 0.315 -5.849 -8.018 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.055 -6.081 -8.180 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.804 -4.541 -7.963 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -1.938 -4.999 -8.290 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.075 -3.460 -8.067 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.448 -3.689 -8.232 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.320 -2.624 -8.333 1.00 0.00 O ATOM 0 H TYR A 74 2.756 -8.951 -8.128 1.00 0.00 H new ATOM 0 HA TYR A 74 0.911 -7.720 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.778 -7.837 -7.377 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.120 -6.716 -7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.431 -7.093 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.863 -4.366 -7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.996 -5.175 -8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.303 -2.449 -8.020 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.052 -1.921 -7.705 1.00 0.00 H new ATOM 1213 N ILE A 75 3.683 -5.965 -9.459 1.00 0.00 N ATOM 1214 CA ILE A 75 4.454 -4.855 -10.084 1.00 0.00 C ATOM 1215 C ILE A 75 5.922 -4.942 -9.636 1.00 0.00 C ATOM 1216 O ILE A 75 6.359 -4.251 -8.740 1.00 0.00 O ATOM 1217 CB ILE A 75 3.821 -3.512 -9.676 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.352 -2.394 -10.561 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.145 -3.168 -8.227 1.00 0.00 C ATOM 1220 CD1 ILE A 75 3.462 -2.261 -11.794 1.00 0.00 C ATOM 0 H ILE A 75 4.137 -6.417 -8.665 1.00 0.00 H new ATOM 0 HA ILE A 75 4.425 -4.933 -11.171 1.00 0.00 H new ATOM 0 HB ILE A 75 2.742 -3.610 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.370 -1.455 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.378 -2.608 -10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.685 -2.215 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.757 -3.948 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.225 -3.095 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.839 -1.461 -12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.467 -3.199 -12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.443 -2.028 -11.484 1.00 0.00 H new ATOM 1232 N PRO A 76 6.679 -5.812 -10.253 1.00 0.00 N ATOM 1233 CA PRO A 76 8.113 -6.018 -9.913 1.00 0.00 C ATOM 1234 C PRO A 76 9.030 -4.969 -10.550 1.00 0.00 C ATOM 1235 O PRO A 76 10.137 -4.742 -10.102 1.00 0.00 O ATOM 1236 CB PRO A 76 8.417 -7.407 -10.473 1.00 0.00 C ATOM 1237 CG PRO A 76 7.452 -7.611 -11.599 1.00 0.00 C ATOM 1238 CD PRO A 76 6.250 -6.692 -11.351 1.00 0.00 C ATOM 0 HA PRO A 76 8.289 -5.927 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.447 -7.471 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.293 -8.173 -9.708 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.923 -7.377 -12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.134 -8.653 -11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.998 -6.119 -12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.363 -7.264 -11.078 1.00 0.00 H new ATOM 1246 N GLY A 77 8.579 -4.330 -11.593 1.00 0.00 N ATOM 1247 CA GLY A 77 9.426 -3.299 -12.260 1.00 0.00 C ATOM 1248 C GLY A 77 9.836 -2.227 -11.248 1.00 0.00 C ATOM 1249 O GLY A 77 10.859 -1.587 -11.390 1.00 0.00 O ATOM 0 H GLY A 77 7.661 -4.476 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.313 -3.766 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.877 -2.843 -13.084 1.00 0.00 H new ATOM 1253 N THR A 78 9.044 -2.018 -10.231 1.00 0.00 N ATOM 1254 CA THR A 78 9.389 -0.978 -9.220 1.00 0.00 C ATOM 1255 C THR A 78 10.474 -1.502 -8.277 1.00 0.00 C ATOM 1256 O THR A 78 10.727 -2.689 -8.195 1.00 0.00 O ATOM 1257 CB THR A 78 8.143 -0.620 -8.406 1.00 0.00 C ATOM 1258 OG1 THR A 78 7.799 -1.711 -7.565 1.00 0.00 O ATOM 1259 CG2 THR A 78 6.982 -0.316 -9.354 1.00 0.00 C ATOM 0 H THR A 78 8.174 -2.522 -10.057 1.00 0.00 H new ATOM 0 HA THR A 78 9.759 -0.092 -9.736 1.00 0.00 H new ATOM 0 HB THR A 78 8.348 0.259 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.345 -2.401 -8.093 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.095 -0.061 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.248 0.523 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.774 -1.193 -9.968 1.00 0.00 H new ATOM 1267 N LYS A 79 11.118 -0.617 -7.567 1.00 0.00 N ATOM 1268 CA LYS A 79 12.195 -1.033 -6.624 1.00 0.00 C ATOM 1269 C LYS A 79 11.549 -1.581 -5.349 1.00 0.00 C ATOM 1270 O LYS A 79 12.214 -1.872 -4.375 1.00 0.00 O ATOM 1271 CB LYS A 79 13.025 0.198 -6.266 1.00 0.00 C ATOM 1272 CG LYS A 79 13.400 0.948 -7.545 1.00 0.00 C ATOM 1273 CD LYS A 79 14.103 2.256 -7.177 1.00 0.00 C ATOM 1274 CE LYS A 79 13.979 3.253 -8.334 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.894 2.850 -9.439 1.00 0.00 N ATOM 0 H LYS A 79 10.942 0.387 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 79 12.826 -1.796 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.459 0.851 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.925 -0.101 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.053 0.332 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.506 1.155 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.661 2.676 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.154 2.066 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.950 3.284 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.227 4.257 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.810 3.527 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.875 2.842 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.637 1.899 -9.773 1.00 0.00 H new ATOM 1289 N MET A 80 10.250 -1.692 -5.345 1.00 0.00 N ATOM 1290 CA MET A 80 9.535 -2.183 -4.135 1.00 0.00 C ATOM 1291 C MET A 80 9.604 -3.709 -4.034 1.00 0.00 C ATOM 1292 O MET A 80 9.514 -4.417 -5.017 1.00 0.00 O ATOM 1293 CB MET A 80 8.074 -1.748 -4.218 1.00 0.00 C ATOM 1294 CG MET A 80 7.332 -2.200 -2.963 1.00 0.00 C ATOM 1295 SD MET A 80 5.697 -1.433 -2.938 1.00 0.00 S ATOM 1296 CE MET A 80 4.778 -2.870 -2.336 1.00 0.00 C ATOM 0 H MET A 80 9.648 -1.461 -6.136 1.00 0.00 H new ATOM 0 HA MET A 80 10.012 -1.761 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.012 -0.664 -4.319 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.606 -2.178 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.239 -3.286 -2.951 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.893 -1.919 -2.072 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.800 -2.552 -1.976 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.651 -3.587 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.329 -3.339 -1.521 1.00 0.00 H new ATOM 1306 N ALA A 81 9.750 -4.213 -2.837 1.00 0.00 N ATOM 1307 CA ALA A 81 9.813 -5.689 -2.635 1.00 0.00 C ATOM 1308 C ALA A 81 9.195 -6.029 -1.276 1.00 0.00 C ATOM 1309 O ALA A 81 9.879 -6.132 -0.278 1.00 0.00 O ATOM 1310 CB ALA A 81 11.267 -6.152 -2.663 1.00 0.00 C ATOM 0 H ALA A 81 9.829 -3.660 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 81 9.264 -6.192 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.308 -7.231 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.710 -5.901 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.822 -5.655 -1.867 1.00 0.00 H new ATOM 1316 N PHE A 82 7.903 -6.190 -1.233 1.00 0.00 N ATOM 1317 CA PHE A 82 7.222 -6.513 0.056 1.00 0.00 C ATOM 1318 C PHE A 82 6.851 -7.996 0.097 1.00 0.00 C ATOM 1319 O PHE A 82 6.338 -8.544 -0.855 1.00 0.00 O ATOM 1320 CB PHE A 82 5.952 -5.666 0.177 1.00 0.00 C ATOM 1321 CG PHE A 82 5.255 -5.968 1.482 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.658 -5.325 2.659 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.201 -6.888 1.514 1.00 0.00 C ATOM 1324 CE1 PHE A 82 5.007 -5.603 3.868 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.551 -7.167 2.722 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.953 -6.524 3.899 1.00 0.00 C ATOM 0 H PHE A 82 7.283 -6.112 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 82 7.896 -6.294 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.205 -4.607 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.284 -5.875 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.471 -4.614 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.889 -7.383 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.318 -5.107 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.739 -7.879 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.450 -6.738 4.830 1.00 0.00 H new ATOM 1336 N GLY A 83 7.105 -8.653 1.194 1.00 0.00 N ATOM 1337 CA GLY A 83 6.758 -10.100 1.290 1.00 0.00 C ATOM 1338 C GLY A 83 5.239 -10.249 1.407 1.00 0.00 C ATOM 1339 O GLY A 83 4.579 -9.465 2.060 1.00 0.00 O ATOM 0 H GLY A 83 7.537 -8.253 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.120 -10.632 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.247 -10.546 2.156 1.00 0.00 H new ATOM 1343 N GLY A 84 4.678 -11.249 0.782 1.00 0.00 N ATOM 1344 CA GLY A 84 3.202 -11.443 0.861 1.00 0.00 C ATOM 1345 C GLY A 84 2.828 -11.928 2.264 1.00 0.00 C ATOM 1346 O GLY A 84 3.614 -12.559 2.942 1.00 0.00 O ATOM 0 H GLY A 84 5.177 -11.939 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.689 -10.508 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.879 -12.169 0.115 1.00 0.00 H new ATOM 1350 N LEU A 85 1.633 -11.641 2.708 1.00 0.00 N ATOM 1351 CA LEU A 85 1.220 -12.091 4.068 1.00 0.00 C ATOM 1352 C LEU A 85 0.416 -13.389 3.954 1.00 0.00 C ATOM 1353 O LEU A 85 -0.564 -13.464 3.240 1.00 0.00 O ATOM 1354 CB LEU A 85 0.356 -11.007 4.719 1.00 0.00 C ATOM 1355 CG LEU A 85 1.117 -9.680 4.709 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.296 -8.614 5.437 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.461 -9.857 5.418 1.00 0.00 C ATOM 0 H LEU A 85 0.928 -11.117 2.190 1.00 0.00 H new ATOM 0 HA LEU A 85 2.105 -12.267 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.585 -10.904 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.108 -11.289 5.742 1.00 0.00 H new ATOM 0 HG LEU A 85 1.287 -9.368 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.839 -7.669 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.662 -8.486 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.126 -8.927 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.003 -8.912 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.291 -10.170 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.048 -10.616 4.901 1.00 0.00 H new ATOM 1369 N LYS A 86 0.829 -14.411 4.650 1.00 0.00 N ATOM 1370 CA LYS A 86 0.099 -15.709 4.585 1.00 0.00 C ATOM 1371 C LYS A 86 -1.315 -15.555 5.149 1.00 0.00 C ATOM 1372 O LYS A 86 -2.261 -16.120 4.636 1.00 0.00 O ATOM 1373 CB LYS A 86 0.858 -16.760 5.396 1.00 0.00 C ATOM 1374 CG LYS A 86 0.182 -18.122 5.225 1.00 0.00 C ATOM 1375 CD LYS A 86 0.993 -19.192 5.963 1.00 0.00 C ATOM 1376 CE LYS A 86 0.930 -18.937 7.469 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.999 -17.972 7.855 1.00 0.00 N ATOM 0 H LYS A 86 1.644 -14.404 5.264 1.00 0.00 H new ATOM 0 HA LYS A 86 0.031 -16.023 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.895 -16.812 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.875 -16.480 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.835 -18.087 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.108 -18.373 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.599 -20.182 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.029 -19.175 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.048 -18.540 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.057 -19.873 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.638 -18.419 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.539 -17.696 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.567 -17.127 8.281 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.472 -14.808 6.212 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.830 -14.645 6.805 1.00 0.00 C ATOM 1393 C LYS A 87 -3.557 -13.471 6.152 1.00 0.00 C ATOM 1394 O LYS A 87 -3.045 -12.372 6.070 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.709 -14.392 8.306 1.00 0.00 C ATOM 1396 CG LYS A 87 -2.128 -15.629 8.988 1.00 0.00 C ATOM 1397 CD LYS A 87 -2.173 -15.437 10.503 1.00 0.00 C ATOM 1398 CE LYS A 87 -1.484 -16.617 11.191 1.00 0.00 C ATOM 1399 NZ LYS A 87 -0.025 -16.588 10.881 1.00 0.00 N ATOM 0 H LYS A 87 -0.723 -14.308 6.691 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.399 -15.558 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.069 -13.529 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.687 -14.158 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.696 -16.515 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.101 -15.791 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.679 -14.505 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.207 -15.360 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.639 -16.565 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.921 -17.556 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.491 -17.151 11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.137 -16.987 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.316 -15.606 10.906 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.755 -13.701 5.691 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.536 -12.609 5.045 1.00 0.00 C ATOM 1415 C GLU A 88 -6.072 -11.648 6.112 1.00 0.00 C ATOM 1416 O GLU A 88 -6.179 -10.457 5.889 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.709 -13.214 4.272 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.175 -14.069 3.122 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.347 -14.620 2.308 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.474 -14.467 2.750 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.099 -15.184 1.255 1.00 0.00 O ATOM 0 H GLU A 88 -5.229 -14.603 5.734 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.888 -12.060 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.322 -13.822 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.350 -12.422 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.524 -13.472 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.573 -14.889 3.514 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.423 -12.154 7.264 1.00 0.00 N ATOM 1429 CA LYS A 89 -6.967 -11.266 8.333 1.00 0.00 C ATOM 1430 C LYS A 89 -5.950 -10.176 8.673 1.00 0.00 C ATOM 1431 O LYS A 89 -6.289 -9.015 8.790 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.262 -12.097 9.583 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.369 -13.108 9.276 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.746 -13.857 10.556 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.766 -14.949 10.226 1.00 0.00 C ATOM 1436 NZ LYS A 89 -11.096 -14.572 10.782 1.00 0.00 N ATOM 0 H LYS A 89 -6.357 -13.141 7.511 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.886 -10.799 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.361 -12.617 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.567 -11.445 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.242 -12.596 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.032 -13.813 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.857 -14.299 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.163 -13.164 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.836 -15.082 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.442 -15.902 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.829 -15.190 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.083 -14.680 11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.306 -13.582 10.540 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.705 -10.534 8.828 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.678 -9.508 9.151 1.00 0.00 C ATOM 1452 C ASP A 90 -3.608 -8.500 8.005 1.00 0.00 C ATOM 1453 O ASP A 90 -3.452 -7.312 8.211 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.320 -10.191 9.319 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.349 -11.086 10.560 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.282 -10.961 11.335 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.437 -11.881 10.713 1.00 0.00 O ATOM 0 H ASP A 90 -4.357 -11.489 8.745 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.940 -8.994 10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.088 -10.785 8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.534 -9.442 9.416 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.722 -8.972 6.796 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.667 -8.063 5.619 1.00 0.00 C ATOM 1464 C ARG A 91 -4.778 -7.015 5.710 1.00 0.00 C ATOM 1465 O ARG A 91 -4.579 -5.857 5.405 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.856 -8.892 4.347 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.765 -7.985 3.121 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.983 -8.822 1.860 1.00 0.00 C ATOM 1469 NE ARG A 91 -5.389 -9.313 1.827 1.00 0.00 N ATOM 1470 CZ ARG A 91 -5.795 -10.063 0.840 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.970 -10.382 -0.120 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -7.026 -10.496 0.813 1.00 0.00 N ATOM 0 H ARG A 91 -3.852 -9.958 6.571 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.703 -7.555 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.095 -9.670 4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.824 -9.393 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.514 -7.195 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.790 -7.498 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.774 -8.224 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.292 -9.665 1.846 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.034 -9.063 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.008 -10.045 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.288 -10.969 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.670 -10.248 1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.344 -11.082 0.041 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.953 -7.414 6.114 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.080 -6.441 6.208 1.00 0.00 C ATOM 1488 C ASN A 92 -6.719 -5.307 7.169 1.00 0.00 C ATOM 1489 O ASN A 92 -7.001 -4.153 6.912 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.330 -7.159 6.719 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.552 -6.258 6.519 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -10.651 -6.515 7.173 1.00 0.00 O flip ATOM 1493 ND2 ASN A 92 -9.504 -5.309 5.762 1.00 0.00 N flip ATOM 0 H ASN A 92 -6.182 -8.371 6.383 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.271 -6.023 5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.467 -8.099 6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.215 -7.406 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.645 -5.108 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.323 -4.714 5.638 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.107 -5.619 8.278 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.743 -4.557 9.249 1.00 0.00 C ATOM 1502 C ASP A 93 -4.756 -3.579 8.608 1.00 0.00 C ATOM 1503 O ASP A 93 -4.831 -2.384 8.812 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.104 -5.200 10.475 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.142 -6.047 11.211 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.315 -5.910 10.903 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.749 -6.818 12.071 1.00 0.00 O ATOM 0 H ASP A 93 -5.844 -6.566 8.551 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.640 -4.012 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.260 -5.821 10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.712 -4.430 11.139 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.824 -4.075 7.841 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.830 -3.168 7.200 1.00 0.00 C ATOM 1514 C LEU A 94 -3.551 -2.147 6.317 1.00 0.00 C ATOM 1515 O LEU A 94 -3.242 -0.970 6.333 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.864 -4.000 6.352 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.820 -3.088 5.709 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.067 -2.322 6.798 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.173 -3.936 4.915 1.00 0.00 C ATOM 0 H LEU A 94 -3.708 -5.066 7.631 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.273 -2.635 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.373 -4.748 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.414 -4.538 5.580 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.318 -2.382 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.677 -1.672 6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.771 -1.719 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.430 -3.029 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.919 -3.288 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.667 -4.640 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.358 -4.486 4.138 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.517 -2.579 5.556 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.259 -1.622 4.687 1.00 0.00 C ATOM 1533 C ILE A 95 -6.011 -0.624 5.565 1.00 0.00 C ATOM 1534 O ILE A 95 -6.125 0.542 5.246 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.257 -2.388 3.820 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.499 -3.372 2.924 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.048 -1.404 2.954 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.499 -4.230 2.147 1.00 0.00 C ATOM 0 H ILE A 95 -4.825 -3.550 5.498 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.556 -1.090 4.046 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.949 -2.937 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.855 -2.829 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.852 -4.007 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.759 -1.953 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.587 -0.707 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.362 -0.851 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.959 -4.930 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.124 -4.784 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.127 -3.588 1.530 1.00 0.00 H new ATOM 1550 N THR A 96 -6.531 -1.081 6.669 1.00 0.00 N ATOM 1551 CA THR A 96 -7.290 -0.174 7.574 1.00 0.00 C ATOM 1552 C THR A 96 -6.389 0.972 8.040 1.00 0.00 C ATOM 1553 O THR A 96 -6.814 2.107 8.135 1.00 0.00 O ATOM 1554 CB THR A 96 -7.769 -0.968 8.791 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.355 -2.187 8.354 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.810 -0.153 9.558 1.00 0.00 C ATOM 0 H THR A 96 -6.463 -2.048 6.985 1.00 0.00 H new ATOM 0 HA THR A 96 -8.145 0.239 7.038 1.00 0.00 H new ATOM 0 HB THR A 96 -6.922 -1.179 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.656 -2.782 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.150 -0.720 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.365 0.785 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.658 0.058 8.907 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.154 0.689 8.348 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.239 1.765 8.825 1.00 0.00 C ATOM 1566 C TYR A 97 -4.075 2.849 7.754 1.00 0.00 C ATOM 1567 O TYR A 97 -4.158 4.027 8.041 1.00 0.00 O ATOM 1568 CB TYR A 97 -2.872 1.163 9.154 1.00 0.00 C ATOM 1569 CG TYR A 97 -1.962 2.245 9.683 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.048 2.638 11.024 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.030 2.853 8.834 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.204 3.641 11.515 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.185 3.855 9.325 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.273 4.250 10.665 1.00 0.00 C ATOM 1575 OH TYR A 97 0.561 5.238 11.150 1.00 0.00 O ATOM 0 H TYR A 97 -4.738 -0.241 8.290 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.669 2.218 9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.980 0.370 9.894 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.437 0.711 8.263 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.766 2.167 11.680 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.963 2.549 7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.271 3.945 12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.535 4.323 8.670 1.00 0.00 H new ATOM 0 HH TYR A 97 1.147 5.554 10.431 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.837 2.472 6.527 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.664 3.506 5.463 1.00 0.00 C ATOM 1587 C LEU A 98 -4.979 4.244 5.222 1.00 0.00 C ATOM 1588 O LEU A 98 -4.996 5.439 4.998 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.200 2.842 4.163 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.793 2.268 4.351 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.353 1.567 3.064 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.817 3.405 4.659 1.00 0.00 C ATOM 0 H LEU A 98 -3.755 1.504 6.216 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.912 4.223 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.892 2.049 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.201 3.569 3.351 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.800 1.555 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.351 1.158 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.047 0.759 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.346 2.284 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.185 2.998 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.813 4.115 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.127 3.914 5.572 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.082 3.553 5.260 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.384 4.230 5.027 1.00 0.00 C ATOM 1606 C LYS A 99 -7.576 5.350 6.055 1.00 0.00 C ATOM 1607 O LYS A 99 -8.053 6.421 5.736 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.515 3.211 5.164 1.00 0.00 C ATOM 1609 CG LYS A 99 -8.474 2.236 3.985 1.00 0.00 C ATOM 1610 CD LYS A 99 -9.502 1.124 4.205 1.00 0.00 C ATOM 1611 CE LYS A 99 -10.892 1.735 4.387 1.00 0.00 C ATOM 1612 NZ LYS A 99 -11.071 2.148 5.807 1.00 0.00 N ATOM 0 H LYS A 99 -6.138 2.551 5.442 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.396 4.658 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.415 2.666 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.477 3.722 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.687 2.764 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.476 1.809 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.502 0.443 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.234 0.537 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.012 2.596 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.658 1.012 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.918 1.688 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.237 1.864 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.184 3.181 5.857 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.209 5.113 7.285 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.372 6.169 8.327 1.00 0.00 C ATOM 1628 C LYS A 100 -6.534 7.391 7.956 1.00 0.00 C ATOM 1629 O LYS A 100 -6.984 8.517 8.034 1.00 0.00 O ATOM 1630 CB LYS A 100 -6.893 5.630 9.672 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.833 4.523 10.146 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.374 4.037 11.517 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.333 2.962 12.030 1.00 0.00 C ATOM 1634 NZ LYS A 100 -7.828 2.419 13.323 1.00 0.00 N ATOM 0 H LYS A 100 -6.804 4.236 7.614 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.423 6.451 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.878 5.244 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.862 6.434 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.856 4.895 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.832 3.698 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.363 3.635 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.340 4.872 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.329 3.383 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.423 2.160 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.005 1.395 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.806 2.597 13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.320 2.886 14.111 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.316 7.172 7.556 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.435 8.315 7.182 1.00 0.00 C ATOM 1650 C ALA A 101 -5.049 9.069 6.000 1.00 0.00 C ATOM 1651 O ALA A 101 -4.912 10.270 5.881 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.055 7.784 6.785 1.00 0.00 C ATOM 0 H ALA A 101 -4.889 6.250 7.471 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.336 8.991 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.409 8.618 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.616 7.246 7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.156 7.109 5.935 1.00 0.00 H new ATOM 1658 N THR A 102 -5.723 8.374 5.127 1.00 0.00 N ATOM 1659 CA THR A 102 -6.344 9.051 3.957 1.00 0.00 C ATOM 1660 C THR A 102 -7.509 9.923 4.429 1.00 0.00 C ATOM 1661 O THR A 102 -7.921 10.845 3.752 1.00 0.00 O ATOM 1662 CB THR A 102 -6.862 7.997 2.973 1.00 0.00 C ATOM 1663 OG1 THR A 102 -7.925 7.273 3.576 1.00 0.00 O ATOM 1664 CG2 THR A 102 -5.727 7.037 2.613 1.00 0.00 C ATOM 0 H THR A 102 -5.870 7.366 5.174 1.00 0.00 H new ATOM 0 HA THR A 102 -5.600 9.676 3.463 1.00 0.00 H new ATOM 0 HB THR A 102 -7.223 8.486 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.705 7.089 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.094 6.286 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.911 7.594 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.366 6.545 3.516 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.043 9.642 5.586 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.180 10.456 6.101 1.00 0.00 C ATOM 1674 C GLU A 103 -8.718 11.899 6.312 1.00 0.00 C ATOM 1675 O GLU A 103 -8.765 12.714 5.411 1.00 0.00 O ATOM 1676 CB GLU A 103 -9.663 9.875 7.431 1.00 0.00 C ATOM 1677 CG GLU A 103 -10.916 10.621 7.890 1.00 0.00 C ATOM 1678 CD GLU A 103 -11.340 10.109 9.268 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -10.654 9.249 9.795 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.344 10.585 9.773 1.00 0.00 O ATOM 0 H GLU A 103 -7.741 8.883 6.197 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.997 10.437 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.880 8.813 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.879 9.962 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.719 11.692 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.723 10.474 7.172 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.443 0.694 -1.797 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.870 2.242 -4.754 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.132 0.089 -1.474 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.010 -0.802 1.172 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.765 1.223 -2.175 1.00 0.00 C HETATM 1693 NA HEC A 201 3.854 1.089 -2.870 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.786 1.740 -4.084 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.435 1.787 -4.585 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.657 1.245 -3.622 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.546 0.764 -2.596 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.175 1.327 -3.541 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.025 2.055 -5.996 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.287 3.504 -6.410 1.00 0.00 C HETATM 1701 CGA HEC A 201 0.957 4.201 -6.704 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.806 5.342 -6.299 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.111 3.582 -7.329 1.00 0.00 O HETATM 1704 NB HEC A 201 4.319 -0.172 -0.449 1.00 0.00 N HETATM 1705 C1B HEC A 201 2.956 -0.351 -0.466 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.493 -1.059 0.705 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.586 -1.199 1.517 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.709 -0.723 0.747 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.211 -1.820 0.784 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.615 -1.415 3.006 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.321 -1.957 3.616 1.00 0.00 C HETATM 1712 NC HEC A 201 7.037 0.296 -0.735 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.101 -0.339 0.482 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.461 -0.490 0.934 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.236 0.162 0.039 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.354 0.585 -1.028 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.943 -1.469 1.946 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.644 0.598 0.273 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.661 -0.528 0.080 1.00 0.00 C HETATM 1720 ND HEC A 201 6.565 1.554 -3.154 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.936 1.673 -3.169 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.398 2.320 -4.373 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.292 2.698 -5.048 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.168 2.160 -4.324 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.777 2.251 -4.931 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.236 3.693 -6.155 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.230 3.031 -7.533 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.749 4.037 -8.581 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.483 3.619 -9.696 1.00 0.00 O HETATM 1730 O2D HEC A 201 6.654 5.207 -8.250 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.484 2.650 -4.204 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.029 1.214 -5.151 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.828 2.839 -5.848 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.434 -1.293 2.894 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.731 -2.482 1.603 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.018 -1.350 2.084 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.376 -1.146 0.594 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.213 -2.614 0.038 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.107 -2.256 1.778 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.129 2.372 -3.478 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.264 0.874 -4.430 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.171 0.795 -2.655 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.231 2.679 -7.784 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 6.578 2.158 -7.526 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.446 -1.336 0.779 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.598 -0.904 -0.941 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.665 -0.147 0.265 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.507 -1.259 3.422 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.085 -2.923 3.169 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.448 -2.076 4.692 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.817 4.030 -5.616 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.926 3.531 -7.292 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.341 4.305 -6.045 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.092 4.364 -6.081 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.567 1.385 -6.663 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 0.964 1.832 -6.113 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.835 1.383 -2.304 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.192 -1.272 2.139 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.066 -0.114 -1.375 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.686 2.746 -5.703 1.00 0.00 H new