USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 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 Set 1.1: A 26 THR OG1 : rot 18:sc= -0.252 USER MOD Set 1.2: A 75 MET CE :methyl -164:sc= -2.65! (180deg=-3.2) USER MOD Set 2.1: A 18 SER OG : rot 65:sc= 0.416 USER MOD Set 2.2: A 21 HIS : no HE2:sc= -1.3 K(o=-0.89,f=-2.3) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0185) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 44:sc= 0.0402 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -166:sc= -1.13 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.997 F(o=-2,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -80:sc= 0.159 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -22:sc= 0.281 USER MOD Single : A 41 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.4) USER MOD Single : A 43 THR OG1 : rot -19:sc= 0.645 USER MOD Single : A 44 TYR OH : rot 15:sc=-0.00105 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.548 K(o=-0.55,f=-2.3) USER MOD Single : A 56 GLN :FLIP amide:sc= -2.18 F(o=-3.1,f=-2.2) USER MOD Single : A 57 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.053) USER MOD Single : A 60 ASN : amide:sc=-0.00147 K(o=-0.0015,f=-1.3) USER MOD Single : A 61 GLN : amide:sc= -7.27! C(o=-7.3!,f=-15!) USER MOD Single : A 63 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0477 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc=-0.00268 (180deg=-0.768) USER MOD Single : A 70 CYS SG : rot -84:sc= -0.897 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc=-0.00737 (180deg=-0.146) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.030 19.484 -3.303 1.00 0.00 N ATOM 2 CA GLY A 1 2.986 18.522 -3.001 1.00 0.00 C ATOM 3 C GLY A 1 2.730 18.394 -1.512 1.00 0.00 C ATOM 4 O GLY A 1 1.580 18.338 -1.076 1.00 0.00 O ATOM 0 H1 GLY A 1 4.121 19.585 -4.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.786 20.404 -2.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.933 19.153 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.065 18.821 -3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.265 17.548 -3.404 1.00 0.00 H new ATOM 8 N SER A 2 3.804 18.345 -0.730 1.00 0.00 N ATOM 9 CA SER A 2 3.690 18.216 0.718 1.00 0.00 C ATOM 10 C SER A 2 3.448 19.576 1.366 1.00 0.00 C ATOM 11 O SER A 2 4.085 19.924 2.360 1.00 0.00 O ATOM 12 CB SER A 2 4.956 17.581 1.296 1.00 0.00 C ATOM 13 OG SER A 2 4.979 16.183 1.059 1.00 0.00 O ATOM 0 H SER A 2 4.763 18.393 -1.075 1.00 0.00 H new ATOM 0 HA SER A 2 2.838 17.572 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.836 18.044 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.006 17.772 2.368 1.00 0.00 H new ATOM 0 HG SER A 2 5.799 15.801 1.436 1.00 0.00 H new ATOM 19 N SER A 3 2.522 20.340 0.796 1.00 0.00 N ATOM 20 CA SER A 3 2.198 21.664 1.315 1.00 0.00 C ATOM 21 C SER A 3 1.477 21.559 2.655 1.00 0.00 C ATOM 22 O SER A 3 1.751 22.322 3.581 1.00 0.00 O ATOM 23 CB SER A 3 1.329 22.428 0.314 1.00 0.00 C ATOM 24 OG SER A 3 0.131 21.725 0.037 1.00 0.00 O ATOM 0 H SER A 3 1.983 20.065 -0.025 1.00 0.00 H new ATOM 0 HA SER A 3 3.131 22.208 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.091 23.414 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.885 22.583 -0.611 1.00 0.00 H new ATOM 0 HG SER A 3 -0.407 22.235 -0.604 1.00 0.00 H new ATOM 30 N GLY A 4 0.552 20.609 2.751 1.00 0.00 N ATOM 31 CA GLY A 4 -0.194 20.421 3.981 1.00 0.00 C ATOM 32 C GLY A 4 -1.508 21.177 3.983 1.00 0.00 C ATOM 33 O GLY A 4 -1.725 22.057 4.816 1.00 0.00 O ATOM 0 H GLY A 4 0.306 19.966 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.389 19.358 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.413 20.751 4.824 1.00 0.00 H new ATOM 37 N SER A 5 -2.387 20.835 3.046 1.00 0.00 N ATOM 38 CA SER A 5 -3.685 21.492 2.939 1.00 0.00 C ATOM 39 C SER A 5 -4.788 20.612 3.518 1.00 0.00 C ATOM 40 O SER A 5 -4.566 19.441 3.828 1.00 0.00 O ATOM 41 CB SER A 5 -3.994 21.821 1.477 1.00 0.00 C ATOM 42 OG SER A 5 -3.260 22.952 1.043 1.00 0.00 O ATOM 0 H SER A 5 -2.224 20.107 2.350 1.00 0.00 H new ATOM 0 HA SER A 5 -3.645 22.418 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.752 20.964 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.061 22.010 1.361 1.00 0.00 H new ATOM 0 HG SER A 5 -3.474 23.141 0.105 1.00 0.00 H new ATOM 48 N SER A 6 -5.979 21.184 3.661 1.00 0.00 N ATOM 49 CA SER A 6 -7.117 20.455 4.207 1.00 0.00 C ATOM 50 C SER A 6 -7.152 19.025 3.675 1.00 0.00 C ATOM 51 O SER A 6 -7.482 18.088 4.401 1.00 0.00 O ATOM 52 CB SER A 6 -8.424 21.171 3.859 1.00 0.00 C ATOM 53 OG SER A 6 -9.536 20.516 4.445 1.00 0.00 O ATOM 0 H SER A 6 -6.181 22.151 3.406 1.00 0.00 H new ATOM 0 HA SER A 6 -7.007 20.420 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.381 22.203 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.547 21.205 2.776 1.00 0.00 H new ATOM 0 HG SER A 6 -10.359 20.994 4.209 1.00 0.00 H new ATOM 59 N GLY A 7 -6.807 18.865 2.401 1.00 0.00 N ATOM 60 CA GLY A 7 -6.805 17.548 1.792 1.00 0.00 C ATOM 61 C GLY A 7 -6.328 16.470 2.745 1.00 0.00 C ATOM 62 O GLY A 7 -5.476 16.720 3.598 1.00 0.00 O ATOM 0 H GLY A 7 -6.529 19.625 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.812 17.307 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.164 17.559 0.911 1.00 0.00 H new ATOM 66 N ILE A 8 -6.878 15.269 2.601 1.00 0.00 N ATOM 67 CA ILE A 8 -6.504 14.150 3.457 1.00 0.00 C ATOM 68 C ILE A 8 -5.275 13.430 2.912 1.00 0.00 C ATOM 69 O ILE A 8 -5.095 13.319 1.700 1.00 0.00 O ATOM 70 CB ILE A 8 -7.657 13.139 3.599 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.985 13.873 3.802 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.388 12.189 4.755 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.190 12.960 3.764 1.00 0.00 C ATOM 0 H ILE A 8 -7.584 15.046 1.900 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.274 14.565 4.438 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.724 12.554 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.962 14.391 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.092 14.635 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.212 11.480 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.461 11.646 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.299 12.758 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.096 13.547 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.238 12.461 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.106 12.213 4.554 1.00 0.00 H new ATOM 85 N GLU A 9 -4.433 12.940 3.817 1.00 0.00 N ATOM 86 CA GLU A 9 -3.222 12.228 3.427 1.00 0.00 C ATOM 87 C GLU A 9 -3.366 10.730 3.679 1.00 0.00 C ATOM 88 O GLU A 9 -4.312 10.286 4.330 1.00 0.00 O ATOM 89 CB GLU A 9 -2.015 12.772 4.195 1.00 0.00 C ATOM 90 CG GLU A 9 -2.290 13.012 5.670 1.00 0.00 C ATOM 91 CD GLU A 9 -1.024 13.017 6.505 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.206 13.945 6.338 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.854 12.092 7.327 1.00 0.00 O ATOM 0 H GLU A 9 -4.567 13.023 4.825 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.066 12.386 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.187 12.070 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.695 13.708 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.804 13.966 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.963 12.239 6.041 1.00 0.00 H new ATOM 100 N CYS A 10 -2.421 9.955 3.157 1.00 0.00 N ATOM 101 CA CYS A 10 -2.441 8.507 3.323 1.00 0.00 C ATOM 102 C CYS A 10 -1.833 8.104 4.664 1.00 0.00 C ATOM 103 O CYS A 10 -0.711 8.490 4.990 1.00 0.00 O ATOM 104 CB CYS A 10 -1.678 7.831 2.182 1.00 0.00 C ATOM 105 SG CYS A 10 -1.697 6.011 2.250 1.00 0.00 S ATOM 0 H CYS A 10 -1.631 10.306 2.615 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.480 8.179 3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.106 8.153 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.643 8.174 2.198 1.00 0.00 H new ATOM 110 N VAL A 11 -2.584 7.326 5.437 1.00 0.00 N ATOM 111 CA VAL A 11 -2.119 6.869 6.742 1.00 0.00 C ATOM 112 C VAL A 11 -1.093 5.752 6.599 1.00 0.00 C ATOM 113 O VAL A 11 -0.702 5.124 7.584 1.00 0.00 O ATOM 114 CB VAL A 11 -3.289 6.370 7.610 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.187 7.529 8.016 1.00 0.00 C ATOM 116 CG2 VAL A 11 -4.083 5.303 6.871 1.00 0.00 C ATOM 0 H VAL A 11 -3.516 6.999 5.183 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.653 7.725 7.231 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.881 5.924 8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.008 7.156 8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.608 8.255 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.589 8.008 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.906 4.962 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.481 5.721 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.431 4.461 6.637 1.00 0.00 H new ATOM 126 N VAL A 12 -0.658 5.508 5.367 1.00 0.00 N ATOM 127 CA VAL A 12 0.325 4.466 5.095 1.00 0.00 C ATOM 128 C VAL A 12 1.629 5.063 4.578 1.00 0.00 C ATOM 129 O VAL A 12 2.700 4.817 5.133 1.00 0.00 O ATOM 130 CB VAL A 12 -0.205 3.449 4.067 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.832 2.368 3.803 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.513 2.839 4.547 1.00 0.00 C ATOM 0 H VAL A 12 -0.971 6.018 4.541 1.00 0.00 H new ATOM 0 HA VAL A 12 0.512 3.953 6.038 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.397 3.972 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.440 1.658 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.742 2.824 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.058 1.846 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.873 2.123 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.350 2.330 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.255 3.627 4.680 1.00 0.00 H new ATOM 142 N CYS A 13 1.531 5.850 3.511 1.00 0.00 N ATOM 143 CA CYS A 13 2.702 6.483 2.918 1.00 0.00 C ATOM 144 C CYS A 13 2.657 7.997 3.107 1.00 0.00 C ATOM 145 O CYS A 13 3.673 8.679 2.983 1.00 0.00 O ATOM 146 CB CYS A 13 2.790 6.147 1.428 1.00 0.00 C ATOM 147 SG CYS A 13 1.343 6.682 0.458 1.00 0.00 S ATOM 0 H CYS A 13 0.652 6.064 3.040 1.00 0.00 H new ATOM 0 HA CYS A 13 3.587 6.097 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.684 6.613 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.911 5.070 1.316 1.00 0.00 H new ATOM 152 N GLY A 14 1.470 8.514 3.408 1.00 0.00 N ATOM 153 CA GLY A 14 1.314 9.943 3.610 1.00 0.00 C ATOM 154 C GLY A 14 0.774 10.647 2.381 1.00 0.00 C ATOM 155 O GLY A 14 0.376 11.810 2.447 1.00 0.00 O ATOM 0 H GLY A 14 0.614 7.970 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.641 10.117 4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.277 10.376 3.879 1.00 0.00 H new ATOM 159 N ASP A 15 0.761 9.941 1.255 1.00 0.00 N ATOM 160 CA ASP A 15 0.267 10.505 0.004 1.00 0.00 C ATOM 161 C ASP A 15 -1.194 10.924 0.137 1.00 0.00 C ATOM 162 O ASP A 15 -1.990 10.244 0.786 1.00 0.00 O ATOM 163 CB ASP A 15 0.419 9.493 -1.132 1.00 0.00 C ATOM 164 CG ASP A 15 0.080 10.086 -2.485 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.767 11.041 -2.904 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.873 9.596 -3.126 1.00 0.00 O ATOM 0 H ASP A 15 1.087 8.977 1.183 1.00 0.00 H new ATOM 0 HA ASP A 15 0.861 11.390 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.443 9.121 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.228 8.637 -0.941 1.00 0.00 H new ATOM 171 N LYS A 16 -1.541 12.047 -0.481 1.00 0.00 N ATOM 172 CA LYS A 16 -2.906 12.558 -0.434 1.00 0.00 C ATOM 173 C LYS A 16 -3.916 11.423 -0.571 1.00 0.00 C ATOM 174 O LYS A 16 -4.058 10.831 -1.641 1.00 0.00 O ATOM 175 CB LYS A 16 -3.127 13.588 -1.543 1.00 0.00 C ATOM 176 CG LYS A 16 -2.922 15.023 -1.090 1.00 0.00 C ATOM 177 CD LYS A 16 -3.911 15.965 -1.758 1.00 0.00 C ATOM 178 CE LYS A 16 -3.522 17.420 -1.549 1.00 0.00 C ATOM 179 NZ LYS A 16 -4.662 18.342 -1.810 1.00 0.00 N ATOM 0 H LYS A 16 -0.895 12.622 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.054 13.039 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.445 13.375 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.140 13.480 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.035 15.084 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.905 15.337 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.957 15.749 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.909 15.792 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.170 17.558 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.692 17.673 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.356 19.324 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.982 18.229 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.445 18.118 -1.163 1.00 0.00 H new ATOM 193 N SER A 17 -4.618 11.126 0.518 1.00 0.00 N ATOM 194 CA SER A 17 -5.614 10.061 0.519 1.00 0.00 C ATOM 195 C SER A 17 -6.687 10.319 -0.534 1.00 0.00 C ATOM 196 O SER A 17 -7.106 11.458 -0.742 1.00 0.00 O ATOM 197 CB SER A 17 -6.258 9.937 1.901 1.00 0.00 C ATOM 198 OG SER A 17 -7.432 9.146 1.848 1.00 0.00 O ATOM 0 H SER A 17 -4.515 11.608 1.411 1.00 0.00 H new ATOM 0 HA SER A 17 -5.110 9.126 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.548 9.492 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.501 10.929 2.283 1.00 0.00 H new ATOM 0 HG SER A 17 -7.267 8.352 1.298 1.00 0.00 H new ATOM 204 N SER A 18 -7.127 9.253 -1.195 1.00 0.00 N ATOM 205 CA SER A 18 -8.149 9.364 -2.229 1.00 0.00 C ATOM 206 C SER A 18 -9.518 8.965 -1.686 1.00 0.00 C ATOM 207 O SER A 18 -10.372 8.474 -2.423 1.00 0.00 O ATOM 208 CB SER A 18 -7.788 8.485 -3.428 1.00 0.00 C ATOM 209 OG SER A 18 -8.030 7.117 -3.149 1.00 0.00 O ATOM 0 H SER A 18 -6.792 8.303 -1.033 1.00 0.00 H new ATOM 0 HA SER A 18 -8.194 10.405 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.372 8.791 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.738 8.627 -3.684 1.00 0.00 H new ATOM 0 HG SER A 18 -8.990 6.976 -3.010 1.00 0.00 H new ATOM 215 N GLY A 19 -9.719 9.181 -0.389 1.00 0.00 N ATOM 216 CA GLY A 19 -10.984 8.838 0.233 1.00 0.00 C ATOM 217 C GLY A 19 -10.830 7.805 1.331 1.00 0.00 C ATOM 218 O GLY A 19 -9.796 7.145 1.433 1.00 0.00 O ATOM 0 H GLY A 19 -9.028 9.587 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.438 9.739 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.667 8.457 -0.526 1.00 0.00 H new ATOM 222 N LYS A 20 -11.862 7.664 2.157 1.00 0.00 N ATOM 223 CA LYS A 20 -11.838 6.704 3.254 1.00 0.00 C ATOM 224 C LYS A 20 -12.129 5.294 2.750 1.00 0.00 C ATOM 225 O LYS A 20 -13.245 4.792 2.892 1.00 0.00 O ATOM 226 CB LYS A 20 -12.859 7.096 4.324 1.00 0.00 C ATOM 227 CG LYS A 20 -12.932 6.117 5.483 1.00 0.00 C ATOM 228 CD LYS A 20 -13.688 6.704 6.663 1.00 0.00 C ATOM 229 CE LYS A 20 -12.754 7.433 7.617 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.300 7.478 9.001 1.00 0.00 N ATOM 0 H LYS A 20 -12.725 8.203 2.087 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.840 6.715 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.608 8.084 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.844 7.175 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.422 5.200 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.924 5.845 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.451 7.394 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.206 5.907 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.784 6.937 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.589 8.449 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.634 7.983 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.214 7.974 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.433 6.509 9.353 1.00 0.00 H new ATOM 244 N HIS A 21 -11.120 4.660 2.163 1.00 0.00 N ATOM 245 CA HIS A 21 -11.268 3.306 1.640 1.00 0.00 C ATOM 246 C HIS A 21 -10.988 2.271 2.725 1.00 0.00 C ATOM 247 O HIS A 21 -9.913 2.261 3.325 1.00 0.00 O ATOM 248 CB HIS A 21 -10.326 3.088 0.455 1.00 0.00 C ATOM 249 CG HIS A 21 -10.557 4.042 -0.677 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.781 4.199 -1.291 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.711 4.892 -1.304 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.678 5.103 -2.248 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.432 5.539 -2.277 1.00 0.00 N ATOM 0 H HIS A 21 -10.191 5.061 2.037 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.297 3.184 1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.296 3.186 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.445 2.068 0.090 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.633 3.696 -1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.664 5.035 -1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.477 5.430 -2.897 1.00 0.00 H new ATOM 261 N TYR A 22 -11.962 1.401 2.971 1.00 0.00 N ATOM 262 CA TYR A 22 -11.821 0.364 3.986 1.00 0.00 C ATOM 263 C TYR A 22 -11.856 0.965 5.388 1.00 0.00 C ATOM 264 O TYR A 22 -11.074 0.585 6.258 1.00 0.00 O ATOM 265 CB TYR A 22 -10.515 -0.406 3.781 1.00 0.00 C ATOM 266 CG TYR A 22 -10.265 -0.802 2.344 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.121 -1.674 1.683 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.171 -0.304 1.646 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.896 -2.039 0.370 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.939 -0.663 0.332 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.803 -1.531 -0.301 1.00 0.00 C ATOM 272 OH TYR A 22 -9.576 -1.891 -1.609 1.00 0.00 O ATOM 0 H TYR A 22 -12.857 1.394 2.482 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.660 -0.324 3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.683 0.206 4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.532 -1.304 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.978 -2.074 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.491 0.375 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.572 -2.718 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.085 -0.266 -0.196 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.666 -1.634 -1.866 1.00 0.00 H new ATOM 282 N GLY A 23 -12.772 1.906 5.599 1.00 0.00 N ATOM 283 CA GLY A 23 -12.894 2.545 6.896 1.00 0.00 C ATOM 284 C GLY A 23 -11.625 3.262 7.310 1.00 0.00 C ATOM 285 O GLY A 23 -11.402 3.508 8.495 1.00 0.00 O ATOM 0 H GLY A 23 -13.431 2.237 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.718 3.258 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.145 1.794 7.645 1.00 0.00 H new ATOM 289 N GLN A 24 -10.790 3.597 6.332 1.00 0.00 N ATOM 290 CA GLN A 24 -9.535 4.289 6.602 1.00 0.00 C ATOM 291 C GLN A 24 -9.138 5.177 5.427 1.00 0.00 C ATOM 292 O GLN A 24 -9.406 4.850 4.271 1.00 0.00 O ATOM 293 CB GLN A 24 -8.423 3.278 6.892 1.00 0.00 C ATOM 294 CG GLN A 24 -7.380 3.786 7.874 1.00 0.00 C ATOM 295 CD GLN A 24 -7.996 4.345 9.142 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.647 3.483 9.914 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.887 5.538 9.424 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.960 3.401 5.346 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.679 4.921 7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.868 2.365 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.931 3.014 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.702 2.972 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.781 4.560 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.378 6.165 8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.306 5.900 10.281 1.00 0.00 H new ATOM 306 N PHE A 25 -8.498 6.301 5.731 1.00 0.00 N ATOM 307 CA PHE A 25 -8.066 7.237 4.700 1.00 0.00 C ATOM 308 C PHE A 25 -6.720 6.818 4.115 1.00 0.00 C ATOM 309 O PHE A 25 -5.692 6.874 4.790 1.00 0.00 O ATOM 310 CB PHE A 25 -7.966 8.652 5.275 1.00 0.00 C ATOM 311 CG PHE A 25 -9.294 9.343 5.398 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.139 9.448 4.305 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.697 9.890 6.606 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.362 10.084 4.414 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.918 10.526 6.721 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.751 10.624 5.624 1.00 0.00 C ATOM 0 H PHE A 25 -8.267 6.586 6.683 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.809 7.228 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.498 8.604 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.312 9.249 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.839 9.028 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.049 9.818 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.012 10.158 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.221 10.946 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.705 11.122 5.712 1.00 0.00 H new ATOM 326 N THR A 26 -6.735 6.397 2.854 1.00 0.00 N ATOM 327 CA THR A 26 -5.518 5.967 2.177 1.00 0.00 C ATOM 328 C THR A 26 -5.531 6.376 0.709 1.00 0.00 C ATOM 329 O THR A 26 -6.591 6.466 0.088 1.00 0.00 O ATOM 330 CB THR A 26 -5.333 4.441 2.272 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.466 3.774 1.705 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.153 4.006 3.718 1.00 0.00 C ATOM 0 H THR A 26 -7.577 6.345 2.281 1.00 0.00 H new ATOM 0 HA THR A 26 -4.685 6.459 2.680 1.00 0.00 H new ATOM 0 HB THR A 26 -4.436 4.171 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.967 4.401 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.024 2.924 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.272 4.493 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.033 4.289 4.295 1.00 0.00 H new ATOM 340 N CYS A 27 -4.348 6.624 0.158 1.00 0.00 N ATOM 341 CA CYS A 27 -4.222 7.024 -1.238 1.00 0.00 C ATOM 342 C CYS A 27 -4.632 5.886 -2.169 1.00 0.00 C ATOM 343 O CYS A 27 -4.889 4.769 -1.722 1.00 0.00 O ATOM 344 CB CYS A 27 -2.785 7.452 -1.540 1.00 0.00 C ATOM 345 SG CYS A 27 -1.576 6.091 -1.482 1.00 0.00 S ATOM 0 H CYS A 27 -3.462 6.555 0.658 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.889 7.869 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.754 7.910 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.488 8.219 -0.825 1.00 0.00 H new ATOM 350 N GLU A 28 -4.691 6.181 -3.464 1.00 0.00 N ATOM 351 CA GLU A 28 -5.071 5.182 -4.457 1.00 0.00 C ATOM 352 C GLU A 28 -3.986 4.118 -4.600 1.00 0.00 C ATOM 353 O GLU A 28 -4.261 2.987 -4.998 1.00 0.00 O ATOM 354 CB GLU A 28 -5.329 5.849 -5.810 1.00 0.00 C ATOM 355 CG GLU A 28 -6.685 6.529 -5.904 1.00 0.00 C ATOM 356 CD GLU A 28 -7.024 6.958 -7.319 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.196 7.654 -7.942 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.118 6.598 -7.802 1.00 0.00 O ATOM 0 H GLU A 28 -4.481 7.102 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.987 4.699 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.548 6.586 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.253 5.098 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.455 5.849 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.696 7.402 -5.251 1.00 0.00 H new ATOM 365 N GLY A 29 -2.753 4.491 -4.274 1.00 0.00 N ATOM 366 CA GLY A 29 -1.645 3.559 -4.374 1.00 0.00 C ATOM 367 C GLY A 29 -1.729 2.447 -3.347 1.00 0.00 C ATOM 368 O GLY A 29 -1.506 1.279 -3.666 1.00 0.00 O ATOM 0 H GLY A 29 -2.501 5.422 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.628 3.125 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.707 4.099 -4.245 1.00 0.00 H new ATOM 372 N CYS A 30 -2.050 2.809 -2.109 1.00 0.00 N ATOM 373 CA CYS A 30 -2.161 1.835 -1.031 1.00 0.00 C ATOM 374 C CYS A 30 -3.544 1.191 -1.019 1.00 0.00 C ATOM 375 O CYS A 30 -3.696 0.024 -0.658 1.00 0.00 O ATOM 376 CB CYS A 30 -1.885 2.502 0.318 1.00 0.00 C ATOM 377 SG CYS A 30 -0.259 3.316 0.426 1.00 0.00 S ATOM 0 H CYS A 30 -2.238 3.771 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.419 1.056 -1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.663 3.241 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.956 1.750 1.104 1.00 0.00 H new ATOM 382 N LYS A 31 -4.552 1.961 -1.417 1.00 0.00 N ATOM 383 CA LYS A 31 -5.924 1.468 -1.455 1.00 0.00 C ATOM 384 C LYS A 31 -6.008 0.154 -2.225 1.00 0.00 C ATOM 385 O LYS A 31 -6.584 -0.822 -1.745 1.00 0.00 O ATOM 386 CB LYS A 31 -6.844 2.508 -2.097 1.00 0.00 C ATOM 387 CG LYS A 31 -8.224 1.973 -2.436 1.00 0.00 C ATOM 388 CD LYS A 31 -8.289 1.465 -3.867 1.00 0.00 C ATOM 389 CE LYS A 31 -8.135 2.599 -4.868 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.539 2.185 -6.241 1.00 0.00 N ATOM 0 H LYS A 31 -4.444 2.930 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.248 1.290 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.949 3.356 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.375 2.883 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.481 1.166 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.965 2.760 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.503 0.727 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.240 0.959 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.741 3.448 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.098 2.935 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.420 2.985 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.944 1.391 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.536 1.889 -6.235 1.00 0.00 H new ATOM 404 N SER A 32 -5.430 0.137 -3.422 1.00 0.00 N ATOM 405 CA SER A 32 -5.443 -1.057 -4.260 1.00 0.00 C ATOM 406 C SER A 32 -4.404 -2.067 -3.782 1.00 0.00 C ATOM 407 O SER A 32 -4.646 -3.274 -3.791 1.00 0.00 O ATOM 408 CB SER A 32 -5.175 -0.684 -5.719 1.00 0.00 C ATOM 409 OG SER A 32 -3.922 -0.037 -5.858 1.00 0.00 O ATOM 0 H SER A 32 -4.947 0.936 -3.833 1.00 0.00 H new ATOM 0 HA SER A 32 -6.430 -1.514 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.195 -1.582 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.968 -0.030 -6.082 1.00 0.00 H new ATOM 0 HG SER A 32 -4.009 0.904 -5.597 1.00 0.00 H new ATOM 415 N PHE A 33 -3.247 -1.564 -3.365 1.00 0.00 N ATOM 416 CA PHE A 33 -2.170 -2.421 -2.884 1.00 0.00 C ATOM 417 C PHE A 33 -2.631 -3.258 -1.695 1.00 0.00 C ATOM 418 O PHE A 33 -2.198 -4.397 -1.518 1.00 0.00 O ATOM 419 CB PHE A 33 -0.956 -1.577 -2.489 1.00 0.00 C ATOM 420 CG PHE A 33 0.149 -2.375 -1.858 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.061 -3.062 -2.643 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.276 -2.438 -0.480 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.078 -3.798 -2.064 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.291 -3.172 0.104 1.00 0.00 C ATOM 425 CZ PHE A 33 2.194 -3.852 -0.689 1.00 0.00 C ATOM 0 H PHE A 33 -3.031 -0.567 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.887 -3.095 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.570 -1.074 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.274 -0.800 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.976 -3.022 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.427 -1.907 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.782 -4.331 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.378 -3.214 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.989 -4.425 -0.235 1.00 0.00 H new ATOM 435 N PHE A 34 -3.510 -2.684 -0.881 1.00 0.00 N ATOM 436 CA PHE A 34 -4.029 -3.375 0.294 1.00 0.00 C ATOM 437 C PHE A 34 -4.996 -4.485 -0.111 1.00 0.00 C ATOM 438 O PHE A 34 -4.935 -5.598 0.411 1.00 0.00 O ATOM 439 CB PHE A 34 -4.733 -2.386 1.225 1.00 0.00 C ATOM 440 CG PHE A 34 -5.442 -3.044 2.373 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.734 -3.762 3.323 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.818 -2.945 2.504 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.383 -4.369 4.381 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.473 -3.549 3.560 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.755 -4.263 4.499 1.00 0.00 C ATOM 0 H PHE A 34 -3.878 -1.742 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.187 -3.824 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.998 -1.683 1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.453 -1.806 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.661 -3.848 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.385 -2.389 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.818 -4.925 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.546 -3.463 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.265 -4.738 5.324 1.00 0.00 H new ATOM 455 N LYS A 35 -5.887 -4.173 -1.045 1.00 0.00 N ATOM 456 CA LYS A 35 -6.867 -5.142 -1.523 1.00 0.00 C ATOM 457 C LYS A 35 -6.183 -6.291 -2.256 1.00 0.00 C ATOM 458 O LYS A 35 -6.196 -7.431 -1.791 1.00 0.00 O ATOM 459 CB LYS A 35 -7.878 -4.462 -2.449 1.00 0.00 C ATOM 460 CG LYS A 35 -8.647 -5.433 -3.327 1.00 0.00 C ATOM 461 CD LYS A 35 -9.107 -4.774 -4.617 1.00 0.00 C ATOM 462 CE LYS A 35 -9.696 -3.396 -4.359 1.00 0.00 C ATOM 463 NZ LYS A 35 -10.688 -3.012 -5.402 1.00 0.00 N ATOM 0 H LYS A 35 -5.951 -3.256 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.392 -5.547 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.585 -3.893 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.354 -3.748 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.017 -6.291 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.512 -5.811 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.265 -4.688 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.852 -5.404 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.175 -3.383 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.894 -2.658 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.066 -2.067 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.225 -2.999 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.466 -3.702 -5.412 1.00 0.00 H new ATOM 477 N ARG A 36 -5.586 -5.984 -3.403 1.00 0.00 N ATOM 478 CA ARG A 36 -4.897 -6.992 -4.199 1.00 0.00 C ATOM 479 C ARG A 36 -4.199 -8.009 -3.302 1.00 0.00 C ATOM 480 O ARG A 36 -4.026 -9.169 -3.679 1.00 0.00 O ATOM 481 CB ARG A 36 -3.877 -6.329 -5.127 1.00 0.00 C ATOM 482 CG ARG A 36 -2.638 -5.822 -4.407 1.00 0.00 C ATOM 483 CD ARG A 36 -1.417 -5.848 -5.314 1.00 0.00 C ATOM 484 NE ARG A 36 -0.845 -7.187 -5.423 1.00 0.00 N ATOM 485 CZ ARG A 36 0.404 -7.423 -5.809 1.00 0.00 C ATOM 486 NH1 ARG A 36 1.207 -6.414 -6.119 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.853 -8.669 -5.884 1.00 0.00 N ATOM 0 H ARG A 36 -5.566 -5.045 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.640 -7.515 -4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.575 -7.045 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.355 -5.495 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.810 -4.805 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.451 -6.436 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.694 -5.490 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.663 -5.162 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.437 -7.985 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.866 -5.454 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.166 -6.598 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.239 -9.448 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.812 -8.848 -6.181 1.00 0.00 H new ATOM 501 N SER A 37 -3.799 -7.567 -2.114 1.00 0.00 N ATOM 502 CA SER A 37 -3.115 -8.438 -1.165 1.00 0.00 C ATOM 503 C SER A 37 -4.113 -9.105 -0.223 1.00 0.00 C ATOM 504 O SER A 37 -4.016 -10.300 0.058 1.00 0.00 O ATOM 505 CB SER A 37 -2.089 -7.642 -0.357 1.00 0.00 C ATOM 506 OG SER A 37 -2.714 -6.611 0.387 1.00 0.00 O ATOM 0 H SER A 37 -3.937 -6.611 -1.786 1.00 0.00 H new ATOM 0 HA SER A 37 -2.599 -9.214 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.556 -8.311 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.347 -7.211 -1.029 1.00 0.00 H new ATOM 0 HG SER A 37 -3.580 -6.394 -0.018 1.00 0.00 H new ATOM 512 N VAL A 38 -5.073 -8.324 0.261 1.00 0.00 N ATOM 513 CA VAL A 38 -6.091 -8.837 1.170 1.00 0.00 C ATOM 514 C VAL A 38 -7.059 -9.765 0.445 1.00 0.00 C ATOM 515 O VAL A 38 -7.113 -10.963 0.724 1.00 0.00 O ATOM 516 CB VAL A 38 -6.888 -7.693 1.824 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.060 -8.245 2.621 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.981 -6.850 2.709 1.00 0.00 C ATOM 0 H VAL A 38 -5.167 -7.333 0.039 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.568 -9.396 1.946 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.285 -7.054 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.611 -7.422 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.722 -8.802 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.689 -8.908 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.561 -6.046 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.553 -7.476 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.179 -6.423 2.106 1.00 0.00 H new ATOM 528 N ARG A 39 -7.820 -9.204 -0.489 1.00 0.00 N ATOM 529 CA ARG A 39 -8.787 -9.982 -1.255 1.00 0.00 C ATOM 530 C ARG A 39 -8.146 -11.251 -1.810 1.00 0.00 C ATOM 531 O ARG A 39 -8.832 -12.237 -2.079 1.00 0.00 O ATOM 532 CB ARG A 39 -9.356 -9.142 -2.400 1.00 0.00 C ATOM 533 CG ARG A 39 -8.387 -8.951 -3.555 1.00 0.00 C ATOM 534 CD ARG A 39 -8.521 -10.062 -4.584 1.00 0.00 C ATOM 535 NE ARG A 39 -9.728 -9.916 -5.393 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.867 -10.438 -6.607 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.879 -11.137 -7.149 1.00 0.00 N ATOM 538 NH2 ARG A 39 -10.996 -10.262 -7.281 1.00 0.00 N ATOM 0 H ARG A 39 -7.786 -8.214 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.598 -10.268 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.263 -9.618 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.645 -8.165 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.572 -7.988 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.366 -8.927 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.646 -10.061 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.539 -11.026 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.507 -9.384 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.010 -11.275 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.989 -11.537 -8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.759 -9.725 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.101 -10.663 -8.213 1.00 0.00 H new ATOM 552 N ARG A 40 -6.829 -11.217 -1.979 1.00 0.00 N ATOM 553 CA ARG A 40 -6.096 -12.363 -2.504 1.00 0.00 C ATOM 554 C ARG A 40 -5.534 -13.215 -1.369 1.00 0.00 C ATOM 555 O ARG A 40 -5.232 -14.393 -1.555 1.00 0.00 O ATOM 556 CB ARG A 40 -4.961 -11.895 -3.416 1.00 0.00 C ATOM 557 CG ARG A 40 -5.441 -11.282 -4.721 1.00 0.00 C ATOM 558 CD ARG A 40 -4.320 -11.204 -5.746 1.00 0.00 C ATOM 559 NE ARG A 40 -3.964 -12.520 -6.269 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.595 -13.103 -7.283 1.00 0.00 C ATOM 561 NH1 ARG A 40 -5.608 -12.489 -7.879 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.212 -14.302 -7.702 1.00 0.00 N ATOM 0 H ARG A 40 -6.247 -10.408 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.790 -12.972 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.356 -11.163 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.313 -12.742 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.262 -11.876 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.833 -10.283 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.625 -10.558 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.443 -10.746 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.189 -13.019 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.905 -11.567 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.090 -12.939 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.433 -14.777 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.697 -14.749 -8.480 1.00 0.00 H new ATOM 576 N ASN A 41 -5.395 -12.609 -0.194 1.00 0.00 N ATOM 577 CA ASN A 41 -4.868 -13.311 0.970 1.00 0.00 C ATOM 578 C ASN A 41 -3.377 -13.589 0.808 1.00 0.00 C ATOM 579 O ASN A 41 -2.878 -14.631 1.238 1.00 0.00 O ATOM 580 CB ASN A 41 -5.623 -14.624 1.185 1.00 0.00 C ATOM 581 CG ASN A 41 -5.371 -15.219 2.557 1.00 0.00 C ATOM 582 OD1 ASN A 41 -4.580 -14.691 3.338 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.045 -16.323 2.856 1.00 0.00 N ATOM 0 H ASN A 41 -5.640 -11.634 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.008 -12.673 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.692 -14.450 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.324 -15.341 0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.917 -16.768 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.691 -16.726 2.177 1.00 0.00 H new ATOM 590 N LEU A 42 -2.670 -12.652 0.187 1.00 0.00 N ATOM 591 CA LEU A 42 -1.234 -12.795 -0.031 1.00 0.00 C ATOM 592 C LEU A 42 -0.465 -12.617 1.274 1.00 0.00 C ATOM 593 O LEU A 42 -1.037 -12.245 2.299 1.00 0.00 O ATOM 594 CB LEU A 42 -0.752 -11.776 -1.065 1.00 0.00 C ATOM 595 CG LEU A 42 -1.667 -11.558 -2.270 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.106 -10.473 -3.177 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.852 -12.857 -3.041 1.00 0.00 C ATOM 0 H LEU A 42 -3.067 -11.785 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.046 -13.801 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.611 -10.819 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.226 -12.092 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.642 -11.232 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.771 -10.332 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.026 -9.539 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.119 -10.770 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.506 -12.683 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.883 -13.213 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.299 -13.607 -2.388 1.00 0.00 H new ATOM 609 N THR A 43 0.837 -12.881 1.228 1.00 0.00 N ATOM 610 CA THR A 43 1.686 -12.749 2.405 1.00 0.00 C ATOM 611 C THR A 43 3.147 -12.563 2.012 1.00 0.00 C ATOM 612 O THR A 43 3.812 -13.509 1.588 1.00 0.00 O ATOM 613 CB THR A 43 1.567 -13.979 3.325 1.00 0.00 C ATOM 614 OG1 THR A 43 0.204 -14.164 3.722 1.00 0.00 O ATOM 615 CG2 THR A 43 2.443 -13.819 4.558 1.00 0.00 C ATOM 0 H THR A 43 1.327 -13.188 0.387 1.00 0.00 H new ATOM 0 HA THR A 43 1.342 -11.866 2.944 1.00 0.00 H new ATOM 0 HB THR A 43 1.905 -14.854 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.290 -13.328 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.342 -14.700 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.484 -13.708 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.132 -12.934 5.113 1.00 0.00 H new ATOM 623 N TYR A 44 3.641 -11.338 2.155 1.00 0.00 N ATOM 624 CA TYR A 44 5.024 -11.027 1.812 1.00 0.00 C ATOM 625 C TYR A 44 5.944 -11.243 3.010 1.00 0.00 C ATOM 626 O TYR A 44 5.574 -10.963 4.151 1.00 0.00 O ATOM 627 CB TYR A 44 5.138 -9.583 1.321 1.00 0.00 C ATOM 628 CG TYR A 44 4.058 -9.192 0.337 1.00 0.00 C ATOM 629 CD1 TYR A 44 4.040 -9.716 -0.949 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.057 -8.296 0.694 1.00 0.00 C ATOM 631 CE1 TYR A 44 3.056 -9.361 -1.852 1.00 0.00 C ATOM 632 CE2 TYR A 44 2.069 -7.937 -0.201 1.00 0.00 C ATOM 633 CZ TYR A 44 2.073 -8.471 -1.473 1.00 0.00 C ATOM 634 OH TYR A 44 1.090 -8.114 -2.368 1.00 0.00 O ATOM 0 H TYR A 44 3.105 -10.545 2.506 1.00 0.00 H new ATOM 0 HA TYR A 44 5.333 -11.701 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.097 -8.912 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.112 -9.443 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.809 -10.413 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.052 -7.874 1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.057 -9.778 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.297 -7.242 0.093 1.00 0.00 H new ATOM 0 HH TYR A 44 1.089 -8.741 -3.121 1.00 0.00 H new ATOM 644 N THR A 45 7.147 -11.742 2.743 1.00 0.00 N ATOM 645 CA THR A 45 8.120 -11.996 3.797 1.00 0.00 C ATOM 646 C THR A 45 9.151 -10.875 3.875 1.00 0.00 C ATOM 647 O THR A 45 10.185 -10.921 3.207 1.00 0.00 O ATOM 648 CB THR A 45 8.850 -13.335 3.577 1.00 0.00 C ATOM 649 OG1 THR A 45 7.897 -14.392 3.425 1.00 0.00 O ATOM 650 CG2 THR A 45 9.776 -13.644 4.744 1.00 0.00 C ATOM 0 H THR A 45 7.470 -11.978 1.805 1.00 0.00 H new ATOM 0 HA THR A 45 7.566 -12.042 4.734 1.00 0.00 H new ATOM 0 HB THR A 45 9.449 -13.253 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.368 -15.240 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.280 -14.594 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.518 -12.851 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.194 -13.709 5.663 1.00 0.00 H new ATOM 658 N CYS A 46 8.864 -9.869 4.694 1.00 0.00 N ATOM 659 CA CYS A 46 9.766 -8.736 4.860 1.00 0.00 C ATOM 660 C CYS A 46 11.222 -9.193 4.848 1.00 0.00 C ATOM 661 O CYS A 46 11.642 -9.985 5.692 1.00 0.00 O ATOM 662 CB CYS A 46 9.462 -8.002 6.167 1.00 0.00 C ATOM 663 SG CYS A 46 10.572 -6.599 6.508 1.00 0.00 S ATOM 0 H CYS A 46 8.013 -9.815 5.254 1.00 0.00 H new ATOM 0 HA CYS A 46 9.610 -8.055 4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.435 -7.639 6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.526 -8.711 6.993 1.00 0.00 H new ATOM 668 N ARG A 47 11.987 -8.689 3.885 1.00 0.00 N ATOM 669 CA ARG A 47 13.395 -9.046 3.762 1.00 0.00 C ATOM 670 C ARG A 47 14.248 -8.234 4.732 1.00 0.00 C ATOM 671 O ARG A 47 15.464 -8.131 4.568 1.00 0.00 O ATOM 672 CB ARG A 47 13.877 -8.819 2.328 1.00 0.00 C ATOM 673 CG ARG A 47 15.150 -9.576 1.986 1.00 0.00 C ATOM 674 CD ARG A 47 14.879 -11.060 1.790 1.00 0.00 C ATOM 675 NE ARG A 47 16.096 -11.800 1.469 1.00 0.00 N ATOM 676 CZ ARG A 47 16.157 -13.126 1.416 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.075 -13.853 1.659 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.301 -13.728 1.117 1.00 0.00 N ATOM 0 H ARG A 47 11.655 -8.032 3.179 1.00 0.00 H new ATOM 0 HA ARG A 47 13.500 -10.102 4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.089 -9.119 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.046 -7.753 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.588 -9.162 1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.881 -9.440 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.434 -11.470 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.152 -11.193 0.989 1.00 0.00 H new ATOM 0 HE ARG A 47 16.946 -11.270 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.193 -13.394 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.125 -14.871 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.135 -13.173 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.346 -14.746 1.077 1.00 0.00 H new ATOM 692 N ALA A 48 13.603 -7.660 5.741 1.00 0.00 N ATOM 693 CA ALA A 48 14.302 -6.859 6.738 1.00 0.00 C ATOM 694 C ALA A 48 13.719 -7.081 8.129 1.00 0.00 C ATOM 695 O ALA A 48 12.841 -7.923 8.317 1.00 0.00 O ATOM 696 CB ALA A 48 14.241 -5.384 6.368 1.00 0.00 C ATOM 0 H ALA A 48 12.597 -7.735 5.890 1.00 0.00 H new ATOM 0 HA ALA A 48 15.345 -7.176 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.767 -4.798 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.712 -5.233 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.200 -5.064 6.321 1.00 0.00 H new ATOM 702 N ASN A 49 14.213 -6.322 9.102 1.00 0.00 N ATOM 703 CA ASN A 49 13.742 -6.438 10.477 1.00 0.00 C ATOM 704 C ASN A 49 12.397 -5.739 10.652 1.00 0.00 C ATOM 705 O ASN A 49 12.166 -5.056 11.650 1.00 0.00 O ATOM 706 CB ASN A 49 14.768 -5.843 11.443 1.00 0.00 C ATOM 707 CG ASN A 49 15.881 -6.817 11.778 1.00 0.00 C ATOM 708 OD1 ASN A 49 15.968 -7.314 12.901 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.737 -7.095 10.802 1.00 0.00 N ATOM 0 H ASN A 49 14.940 -5.620 8.963 1.00 0.00 H new ATOM 0 HA ASN A 49 13.614 -7.497 10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.197 -4.943 11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.265 -5.541 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.506 -7.744 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.626 -6.659 9.887 1.00 0.00 H new ATOM 716 N ARG A 50 11.514 -5.915 9.674 1.00 0.00 N ATOM 717 CA ARG A 50 10.192 -5.301 9.720 1.00 0.00 C ATOM 718 C ARG A 50 10.281 -3.853 10.194 1.00 0.00 C ATOM 719 O ARG A 50 9.422 -3.379 10.935 1.00 0.00 O ATOM 720 CB ARG A 50 9.268 -6.096 10.644 1.00 0.00 C ATOM 721 CG ARG A 50 8.961 -7.496 10.141 1.00 0.00 C ATOM 722 CD ARG A 50 8.242 -8.322 11.196 1.00 0.00 C ATOM 723 NE ARG A 50 8.067 -9.711 10.779 1.00 0.00 N ATOM 724 CZ ARG A 50 9.034 -10.620 10.827 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.238 -10.289 11.272 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.797 -11.864 10.429 1.00 0.00 N ATOM 0 H ARG A 50 11.690 -6.477 8.841 1.00 0.00 H new ATOM 0 HA ARG A 50 9.780 -5.310 8.711 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.727 -6.166 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.333 -5.550 10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.345 -7.434 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.889 -7.994 9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.807 -8.292 12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.267 -7.879 11.400 1.00 0.00 H new ATOM 0 HE ARG A 50 7.152 -9.998 10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.424 -9.334 11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.979 -10.989 11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.872 -12.122 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.540 -12.562 10.466 1.00 0.00 H new ATOM 740 N ASN A 51 11.328 -3.158 9.760 1.00 0.00 N ATOM 741 CA ASN A 51 11.530 -1.764 10.141 1.00 0.00 C ATOM 742 C ASN A 51 11.655 -0.876 8.908 1.00 0.00 C ATOM 743 O ASN A 51 12.095 0.271 8.997 1.00 0.00 O ATOM 744 CB ASN A 51 12.782 -1.628 11.011 1.00 0.00 C ATOM 745 CG ASN A 51 14.058 -1.873 10.229 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.426 -3.017 9.962 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.740 -0.796 9.859 1.00 0.00 N ATOM 0 H ASN A 51 12.049 -3.536 9.145 1.00 0.00 H new ATOM 0 HA ASN A 51 10.661 -1.440 10.713 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.812 -0.629 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.725 -2.335 11.839 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.607 -0.898 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.397 0.133 10.102 1.00 0.00 H new ATOM 754 N CYS A 52 11.265 -1.413 7.756 1.00 0.00 N ATOM 755 CA CYS A 52 11.333 -0.670 6.504 1.00 0.00 C ATOM 756 C CYS A 52 10.491 0.601 6.579 1.00 0.00 C ATOM 757 O CYS A 52 9.329 0.583 6.984 1.00 0.00 O ATOM 758 CB CYS A 52 10.855 -1.543 5.342 1.00 0.00 C ATOM 759 SG CYS A 52 11.675 -3.167 5.247 1.00 0.00 S ATOM 0 H CYS A 52 10.899 -2.360 7.664 1.00 0.00 H new ATOM 0 HA CYS A 52 12.372 -0.387 6.334 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.780 -1.696 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.022 -1.008 4.407 1.00 0.00 H new ATOM 764 N PRO A 53 11.091 1.732 6.179 1.00 0.00 N ATOM 765 CA PRO A 53 10.415 3.033 6.190 1.00 0.00 C ATOM 766 C PRO A 53 9.318 3.126 5.135 1.00 0.00 C ATOM 767 O PRO A 53 9.595 3.354 3.957 1.00 0.00 O ATOM 768 CB PRO A 53 11.542 4.021 5.878 1.00 0.00 C ATOM 769 CG PRO A 53 12.548 3.222 5.124 1.00 0.00 C ATOM 770 CD PRO A 53 12.475 1.828 5.684 1.00 0.00 C ATOM 0 HA PRO A 53 9.913 3.223 7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.179 4.861 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.969 4.435 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.328 3.226 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.548 3.639 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.682 1.077 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.200 1.678 6.484 1.00 0.00 H new ATOM 778 N ILE A 54 8.074 2.948 5.565 1.00 0.00 N ATOM 779 CA ILE A 54 6.936 3.013 4.657 1.00 0.00 C ATOM 780 C ILE A 54 6.412 4.440 4.534 1.00 0.00 C ATOM 781 O ILE A 54 5.514 4.849 5.270 1.00 0.00 O ATOM 782 CB ILE A 54 5.790 2.096 5.124 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.263 0.643 5.185 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.592 2.231 4.195 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.750 0.109 3.856 1.00 0.00 C ATOM 0 H ILE A 54 7.828 2.758 6.537 1.00 0.00 H new ATOM 0 HA ILE A 54 7.289 2.673 3.684 1.00 0.00 H new ATOM 0 HB ILE A 54 5.485 2.401 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.067 0.562 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.444 0.018 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.790 1.577 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.244 3.264 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.883 1.949 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.070 -0.926 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.942 0.158 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.590 0.710 3.508 1.00 0.00 H new ATOM 797 N ASP A 55 6.979 5.193 3.598 1.00 0.00 N ATOM 798 CA ASP A 55 6.568 6.575 3.375 1.00 0.00 C ATOM 799 C ASP A 55 6.241 6.814 1.904 1.00 0.00 C ATOM 800 O ASP A 55 6.419 5.929 1.068 1.00 0.00 O ATOM 801 CB ASP A 55 7.668 7.536 3.829 1.00 0.00 C ATOM 802 CG ASP A 55 7.895 7.489 5.327 1.00 0.00 C ATOM 803 OD1 ASP A 55 8.719 6.665 5.777 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.251 8.278 6.049 1.00 0.00 O ATOM 0 H ASP A 55 7.725 4.870 2.981 1.00 0.00 H new ATOM 0 HA ASP A 55 5.669 6.761 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.597 7.289 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.403 8.552 3.536 1.00 0.00 H new ATOM 809 N GLN A 56 5.761 8.015 1.598 1.00 0.00 N ATOM 810 CA GLN A 56 5.408 8.369 0.228 1.00 0.00 C ATOM 811 C GLN A 56 6.647 8.762 -0.570 1.00 0.00 C ATOM 812 O GLN A 56 6.802 8.372 -1.727 1.00 0.00 O ATOM 813 CB GLN A 56 4.397 9.517 0.220 1.00 0.00 C ATOM 814 CG GLN A 56 4.175 10.123 -1.156 1.00 0.00 C ATOM 815 CD GLN A 56 4.156 9.081 -2.256 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.405 8.006 -2.041 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.808 9.239 -3.289 1.00 0.00 N flip ATOM 0 H GLN A 56 5.608 8.759 2.279 1.00 0.00 H new ATOM 0 HA GLN A 56 4.958 7.494 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.444 9.154 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.740 10.297 0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.231 10.668 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.963 10.848 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.372 10.080 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.784 8.529 -4.021 1.00 0.00 H new ATOM 826 N HIS A 57 7.527 9.536 0.057 1.00 0.00 N ATOM 827 CA HIS A 57 8.754 9.982 -0.595 1.00 0.00 C ATOM 828 C HIS A 57 9.283 8.913 -1.547 1.00 0.00 C ATOM 829 O HIS A 57 9.621 9.201 -2.695 1.00 0.00 O ATOM 830 CB HIS A 57 9.817 10.322 0.450 1.00 0.00 C ATOM 831 CG HIS A 57 9.596 11.643 1.120 1.00 0.00 C ATOM 832 ND1 HIS A 57 10.626 12.427 1.596 1.00 0.00 N ATOM 833 CD2 HIS A 57 8.455 12.318 1.392 1.00 0.00 C ATOM 834 CE1 HIS A 57 10.128 13.526 2.133 1.00 0.00 C ATOM 835 NE2 HIS A 57 8.812 13.485 2.022 1.00 0.00 N ATOM 0 H HIS A 57 7.414 9.867 1.015 1.00 0.00 H new ATOM 0 HA HIS A 57 8.524 10.877 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.834 9.538 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.797 10.325 -0.028 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.450 11.998 1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.699 14.323 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.166 14.203 2.351 1.00 0.00 H new ATOM 843 N HIS A 58 9.351 7.677 -1.061 1.00 0.00 N ATOM 844 CA HIS A 58 9.839 6.565 -1.869 1.00 0.00 C ATOM 845 C HIS A 58 8.720 5.986 -2.730 1.00 0.00 C ATOM 846 O HIS A 58 7.578 5.871 -2.285 1.00 0.00 O ATOM 847 CB HIS A 58 10.424 5.473 -0.971 1.00 0.00 C ATOM 848 CG HIS A 58 11.855 5.707 -0.598 1.00 0.00 C ATOM 849 ND1 HIS A 58 12.457 5.110 0.489 1.00 0.00 N ATOM 850 CD2 HIS A 58 12.806 6.478 -1.177 1.00 0.00 C ATOM 851 CE1 HIS A 58 13.716 5.504 0.564 1.00 0.00 C ATOM 852 NE2 HIS A 58 13.953 6.335 -0.435 1.00 0.00 N ATOM 0 H HIS A 58 9.075 7.421 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 58 10.621 6.943 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.827 5.403 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.342 4.513 -1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 58 12.685 7.091 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 58 14.430 5.198 1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 58 14.843 6.796 -0.625 1.00 0.00 H new ATOM 860 N ARG A 59 9.056 5.626 -3.964 1.00 0.00 N ATOM 861 CA ARG A 59 8.079 5.062 -4.888 1.00 0.00 C ATOM 862 C ARG A 59 7.690 3.647 -4.470 1.00 0.00 C ATOM 863 O ARG A 59 6.531 3.378 -4.156 1.00 0.00 O ATOM 864 CB ARG A 59 8.640 5.048 -6.311 1.00 0.00 C ATOM 865 CG ARG A 59 7.578 4.864 -7.382 1.00 0.00 C ATOM 866 CD ARG A 59 7.091 3.425 -7.442 1.00 0.00 C ATOM 867 NE ARG A 59 6.577 3.075 -8.764 1.00 0.00 N ATOM 868 CZ ARG A 59 5.616 2.180 -8.965 1.00 0.00 C ATOM 869 NH1 ARG A 59 5.069 1.547 -7.937 1.00 0.00 N ATOM 870 NH2 ARG A 59 5.201 1.917 -10.198 1.00 0.00 N ATOM 0 H ARG A 59 9.997 5.715 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 59 7.188 5.689 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.169 5.983 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.373 4.245 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.736 5.526 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.984 5.153 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.910 2.754 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.309 3.276 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 59 6.978 3.543 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.386 1.746 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.331 0.860 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.620 2.402 -10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.463 1.230 -10.352 1.00 0.00 H new ATOM 884 N ASN A 60 8.667 2.745 -4.469 1.00 0.00 N ATOM 885 CA ASN A 60 8.426 1.358 -4.091 1.00 0.00 C ATOM 886 C ASN A 60 9.184 1.002 -2.816 1.00 0.00 C ATOM 887 O ASN A 60 10.397 1.190 -2.730 1.00 0.00 O ATOM 888 CB ASN A 60 8.844 0.419 -5.225 1.00 0.00 C ATOM 889 CG ASN A 60 8.539 -1.034 -4.914 1.00 0.00 C ATOM 890 OD1 ASN A 60 7.695 -1.336 -4.070 1.00 0.00 O ATOM 891 ND2 ASN A 60 9.226 -1.942 -5.597 1.00 0.00 N ATOM 0 H ASN A 60 9.633 2.950 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 60 7.359 1.239 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.328 0.708 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.912 0.532 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.064 -2.935 -5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.916 -1.646 -6.287 1.00 0.00 H new ATOM 898 N GLN A 61 8.459 0.487 -1.828 1.00 0.00 N ATOM 899 CA GLN A 61 9.063 0.105 -0.557 1.00 0.00 C ATOM 900 C GLN A 61 8.690 -1.327 -0.185 1.00 0.00 C ATOM 901 O GLN A 61 7.933 -1.987 -0.897 1.00 0.00 O ATOM 902 CB GLN A 61 8.622 1.063 0.550 1.00 0.00 C ATOM 903 CG GLN A 61 9.020 2.509 0.298 1.00 0.00 C ATOM 904 CD GLN A 61 8.078 3.216 -0.655 1.00 0.00 C ATOM 905 OE1 GLN A 61 8.429 3.491 -1.803 1.00 0.00 O ATOM 906 NE2 GLN A 61 6.872 3.514 -0.185 1.00 0.00 N ATOM 0 H GLN A 61 7.453 0.325 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 61 10.146 0.162 -0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.539 1.007 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.054 0.736 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.042 3.046 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.031 2.538 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.623 3.268 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.195 3.989 -0.782 1.00 0.00 H new ATOM 915 N CYS A 62 9.227 -1.801 0.934 1.00 0.00 N ATOM 916 CA CYS A 62 8.952 -3.154 1.401 1.00 0.00 C ATOM 917 C CYS A 62 7.520 -3.564 1.069 1.00 0.00 C ATOM 918 O CYS A 62 6.628 -2.721 0.982 1.00 0.00 O ATOM 919 CB CYS A 62 9.185 -3.253 2.910 1.00 0.00 C ATOM 920 SG CYS A 62 8.976 -4.932 3.586 1.00 0.00 S ATOM 0 H CYS A 62 9.856 -1.267 1.535 1.00 0.00 H new ATOM 0 HA CYS A 62 9.634 -3.833 0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.193 -2.905 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.495 -2.580 3.418 1.00 0.00 H new ATOM 925 N GLN A 63 7.309 -4.863 0.885 1.00 0.00 N ATOM 926 CA GLN A 63 5.986 -5.384 0.562 1.00 0.00 C ATOM 927 C GLN A 63 5.220 -5.748 1.829 1.00 0.00 C ATOM 928 O GLN A 63 4.056 -5.381 1.990 1.00 0.00 O ATOM 929 CB GLN A 63 6.105 -6.609 -0.347 1.00 0.00 C ATOM 930 CG GLN A 63 6.416 -6.266 -1.794 1.00 0.00 C ATOM 931 CD GLN A 63 7.147 -7.381 -2.515 1.00 0.00 C ATOM 932 OE1 GLN A 63 8.226 -7.174 -3.071 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.563 -8.573 -2.508 1.00 0.00 N ATOM 0 H GLN A 63 8.037 -5.574 0.954 1.00 0.00 H new ATOM 0 HA GLN A 63 5.434 -4.604 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.887 -7.262 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.172 -7.172 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.486 -6.047 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.021 -5.360 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.668 -8.700 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.009 -9.362 -2.976 1.00 0.00 H new ATOM 942 N TYR A 64 5.881 -6.471 2.726 1.00 0.00 N ATOM 943 CA TYR A 64 5.261 -6.888 3.979 1.00 0.00 C ATOM 944 C TYR A 64 4.934 -5.681 4.852 1.00 0.00 C ATOM 945 O TYR A 64 3.772 -5.424 5.169 1.00 0.00 O ATOM 946 CB TYR A 64 6.184 -7.845 4.735 1.00 0.00 C ATOM 947 CG TYR A 64 5.883 -7.933 6.215 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.415 -7.011 7.108 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.066 -8.937 6.719 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.144 -7.088 8.460 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.788 -9.021 8.069 1.00 0.00 C ATOM 952 CZ TYR A 64 5.330 -8.095 8.936 1.00 0.00 C ATOM 953 OH TYR A 64 5.056 -8.174 10.282 1.00 0.00 O ATOM 0 H TYR A 64 6.846 -6.781 2.609 1.00 0.00 H new ATOM 0 HA TYR A 64 4.331 -7.404 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.101 -8.839 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.217 -7.522 4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.051 -6.221 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.641 -9.664 6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.567 -6.364 9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.150 -9.807 8.444 1.00 0.00 H new ATOM 0 HH TYR A 64 4.467 -8.939 10.452 1.00 0.00 H new ATOM 963 N CYS A 65 5.969 -4.941 5.239 1.00 0.00 N ATOM 964 CA CYS A 65 5.795 -3.761 6.076 1.00 0.00 C ATOM 965 C CYS A 65 4.634 -2.905 5.576 1.00 0.00 C ATOM 966 O CYS A 65 3.716 -2.583 6.330 1.00 0.00 O ATOM 967 CB CYS A 65 7.081 -2.932 6.099 1.00 0.00 C ATOM 968 SG CYS A 65 8.448 -3.706 7.021 1.00 0.00 S ATOM 0 H CYS A 65 6.937 -5.139 4.986 1.00 0.00 H new ATOM 0 HA CYS A 65 5.567 -4.095 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.404 -2.753 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.865 -1.959 6.539 1.00 0.00 H new ATOM 973 N ARG A 66 4.683 -2.541 4.299 1.00 0.00 N ATOM 974 CA ARG A 66 3.637 -1.723 3.697 1.00 0.00 C ATOM 975 C ARG A 66 2.267 -2.369 3.883 1.00 0.00 C ATOM 976 O ARG A 66 1.395 -1.818 4.556 1.00 0.00 O ATOM 977 CB ARG A 66 3.916 -1.513 2.208 1.00 0.00 C ATOM 978 CG ARG A 66 3.037 -0.453 1.566 1.00 0.00 C ATOM 979 CD ARG A 66 3.770 0.873 1.431 1.00 0.00 C ATOM 980 NE ARG A 66 4.302 1.069 0.086 1.00 0.00 N ATOM 981 CZ ARG A 66 3.552 1.403 -0.959 1.00 0.00 C ATOM 982 NH1 ARG A 66 2.246 1.577 -0.813 1.00 0.00 N ATOM 983 NH2 ARG A 66 4.110 1.564 -2.153 1.00 0.00 N ATOM 0 H ARG A 66 5.436 -2.800 3.661 1.00 0.00 H new ATOM 0 HA ARG A 66 3.635 -0.755 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.961 -1.232 2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.773 -2.458 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.715 -0.793 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.137 -0.313 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.090 1.689 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.586 0.911 2.153 1.00 0.00 H new ATOM 0 HE ARG A 66 5.304 0.943 -0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.814 1.455 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.673 1.833 -1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.115 1.431 -2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.534 1.820 -2.955 1.00 0.00 H new ATOM 997 N LEU A 67 2.084 -3.539 3.282 1.00 0.00 N ATOM 998 CA LEU A 67 0.820 -4.261 3.380 1.00 0.00 C ATOM 999 C LEU A 67 0.333 -4.312 4.824 1.00 0.00 C ATOM 1000 O LEU A 67 -0.854 -4.135 5.098 1.00 0.00 O ATOM 1001 CB LEU A 67 0.977 -5.680 2.832 1.00 0.00 C ATOM 1002 CG LEU A 67 0.021 -6.729 3.401 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.514 -7.223 4.752 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.385 -6.160 3.520 1.00 0.00 C ATOM 0 H LEU A 67 2.795 -4.009 2.721 1.00 0.00 H new ATOM 0 HA LEU A 67 0.078 -3.728 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.846 -5.647 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.999 -6.009 3.019 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.008 -7.576 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.179 -7.969 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.502 -7.670 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.573 -6.385 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.052 -6.920 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.373 -5.296 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.739 -5.856 2.535 1.00 0.00 H new ATOM 1016 N LYS A 68 1.259 -4.553 5.747 1.00 0.00 N ATOM 1017 CA LYS A 68 0.926 -4.624 7.165 1.00 0.00 C ATOM 1018 C LYS A 68 0.445 -3.271 7.679 1.00 0.00 C ATOM 1019 O LYS A 68 -0.605 -3.174 8.316 1.00 0.00 O ATOM 1020 CB LYS A 68 2.141 -5.086 7.972 1.00 0.00 C ATOM 1021 CG LYS A 68 2.460 -6.561 7.800 1.00 0.00 C ATOM 1022 CD LYS A 68 1.416 -7.439 8.469 1.00 0.00 C ATOM 1023 CE LYS A 68 1.448 -8.858 7.922 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.112 -9.511 7.996 1.00 0.00 N ATOM 0 H LYS A 68 2.246 -4.702 5.538 1.00 0.00 H new ATOM 0 HA LYS A 68 0.120 -5.347 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.009 -4.498 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.964 -4.882 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.512 -6.801 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.441 -6.774 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.591 -7.459 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.426 -7.011 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.787 -8.840 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.172 -9.448 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.176 -10.476 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.200 -9.551 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.574 -8.963 7.439 1.00 0.00 H new ATOM 1038 N LYS A 69 1.218 -2.227 7.399 1.00 0.00 N ATOM 1039 CA LYS A 69 0.870 -0.879 7.830 1.00 0.00 C ATOM 1040 C LYS A 69 -0.612 -0.600 7.603 1.00 0.00 C ATOM 1041 O LYS A 69 -1.207 0.239 8.281 1.00 0.00 O ATOM 1042 CB LYS A 69 1.715 0.153 7.079 1.00 0.00 C ATOM 1043 CG LYS A 69 1.325 1.591 7.376 1.00 0.00 C ATOM 1044 CD LYS A 69 2.526 2.519 7.312 1.00 0.00 C ATOM 1045 CE LYS A 69 3.211 2.638 8.665 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.581 3.210 8.545 1.00 0.00 N ATOM 0 H LYS A 69 2.091 -2.289 6.875 1.00 0.00 H new ATOM 0 HA LYS A 69 1.077 -0.802 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.764 0.009 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.624 -0.025 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.571 1.920 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.872 1.649 8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.237 2.146 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.207 3.506 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.611 3.268 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.268 1.654 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.868 3.618 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.248 2.459 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.584 3.953 7.817 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.203 -1.309 6.647 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.617 -1.138 6.332 1.00 0.00 C ATOM 1062 C CYS A 70 -3.494 -1.671 7.460 1.00 0.00 C ATOM 1063 O CYS A 70 -4.437 -1.009 7.894 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.958 -1.852 5.023 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.178 -1.127 3.562 1.00 0.00 S ATOM 0 H CYS A 70 -0.725 -2.007 6.077 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.813 -0.072 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.656 -2.896 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.039 -1.842 4.887 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.902 -0.138 3.129 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.178 -2.873 7.930 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.939 -3.498 9.007 1.00 0.00 C ATOM 1073 C LEU A 71 -3.614 -2.850 10.349 1.00 0.00 C ATOM 1074 O LEU A 71 -4.337 -3.031 11.329 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.641 -4.997 9.066 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.786 -5.762 7.750 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.003 -7.064 7.800 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.254 -6.032 7.449 1.00 0.00 C ATOM 0 H LEU A 71 -2.400 -3.434 7.582 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.000 -3.353 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.622 -5.131 9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.305 -5.451 9.802 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.378 -5.147 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.118 -7.594 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.948 -6.848 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.380 -7.685 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.338 -6.577 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.687 -6.627 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.789 -5.086 7.369 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.523 -2.092 10.386 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.103 -1.414 11.606 1.00 0.00 C ATOM 1092 C LYS A 72 -2.816 -0.074 11.757 1.00 0.00 C ATOM 1093 O LYS A 72 -3.440 0.197 12.783 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.588 -1.199 11.599 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.051 -0.608 12.891 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.192 0.904 12.914 1.00 0.00 C ATOM 1097 CE LYS A 72 0.726 1.534 13.950 1.00 0.00 C ATOM 1098 NZ LYS A 72 2.153 1.492 13.525 1.00 0.00 N ATOM 0 H LYS A 72 -1.913 -1.932 9.584 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.370 -2.046 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.095 -2.153 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.327 -0.539 10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.586 -1.037 13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.999 -0.878 13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.040 1.307 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.226 1.171 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.428 2.569 14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.614 1.011 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.708 2.154 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.524 0.528 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.225 1.765 12.524 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.722 0.761 10.727 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.360 2.071 10.744 1.00 0.00 C ATOM 1114 C VAL A 73 -4.843 1.956 11.081 1.00 0.00 C ATOM 1115 O VAL A 73 -5.377 2.748 11.856 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.207 2.788 9.389 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.749 3.139 9.133 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.762 1.927 8.265 1.00 0.00 C ATOM 0 H VAL A 73 -2.210 0.553 9.870 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.859 2.657 11.515 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.779 3.715 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.660 3.645 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.389 3.797 9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.152 2.227 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.646 2.449 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.220 0.982 8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.819 1.732 8.444 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.502 0.963 10.492 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.917 0.761 10.742 1.00 0.00 C ATOM 1130 C GLY A 74 -7.584 -0.071 9.665 1.00 0.00 C ATOM 1131 O GLY A 74 -8.494 -0.850 9.947 1.00 0.00 O ATOM 0 H GLY A 74 -5.081 0.295 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.046 0.271 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.413 1.729 10.808 1.00 0.00 H new ATOM 1135 N MET A 75 -7.131 0.095 8.426 1.00 0.00 N ATOM 1136 CA MET A 75 -7.691 -0.647 7.303 1.00 0.00 C ATOM 1137 C MET A 75 -8.102 -2.052 7.730 1.00 0.00 C ATOM 1138 O MET A 75 -7.303 -2.797 8.299 1.00 0.00 O ATOM 1139 CB MET A 75 -6.677 -0.725 6.160 1.00 0.00 C ATOM 1140 CG MET A 75 -5.949 0.584 5.903 1.00 0.00 C ATOM 1141 SD MET A 75 -4.972 0.550 4.388 1.00 0.00 S ATOM 1142 CE MET A 75 -6.259 0.349 3.159 1.00 0.00 C ATOM 0 H MET A 75 -6.378 0.736 8.175 1.00 0.00 H new ATOM 0 HA MET A 75 -8.579 -0.118 6.957 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.945 -1.500 6.387 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.192 -1.030 5.249 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.676 1.394 5.844 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.295 0.804 6.747 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.815 0.029 2.216 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.972 -0.403 3.498 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.775 1.298 3.014 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.352 -2.409 7.453 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.869 -3.724 7.811 1.00 0.00 C ATOM 1154 C ARG A 76 -10.076 -4.583 6.567 1.00 0.00 C ATOM 1155 O ARG A 76 -10.454 -4.080 5.509 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.187 -3.587 8.575 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.328 -3.048 7.729 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.306 -2.236 8.565 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.073 -1.297 7.751 1.00 0.00 N ATOM 1160 CZ ARG A 76 -14.654 -0.207 8.238 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.556 0.080 9.529 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -15.336 0.599 7.434 1.00 0.00 N ATOM 0 H ARG A 76 -10.026 -1.805 6.981 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.135 -4.213 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.470 -4.562 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.035 -2.926 9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.927 -2.425 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.854 -3.877 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.989 -2.911 9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.759 -1.688 9.332 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.168 -1.489 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.033 -0.537 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.003 0.918 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.414 0.381 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.782 1.436 7.810 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.827 -5.881 6.702 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.984 -6.810 5.589 1.00 0.00 C ATOM 1178 C ARG A 77 -11.461 -7.063 5.298 1.00 0.00 C ATOM 1179 O ARG A 77 -11.881 -7.078 4.142 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.280 -8.132 5.897 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.800 -7.976 6.206 1.00 0.00 C ATOM 1182 CD ARG A 77 -7.030 -9.252 5.902 1.00 0.00 C ATOM 1183 NE ARG A 77 -7.258 -10.282 6.912 1.00 0.00 N ATOM 1184 CZ ARG A 77 -7.191 -11.585 6.662 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.904 -12.014 5.440 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -7.411 -12.461 7.634 1.00 0.00 N ATOM 0 H ARG A 77 -9.515 -6.314 7.572 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.528 -6.362 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.772 -8.607 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.396 -8.803 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.390 -7.154 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.672 -7.714 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.328 -9.631 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.965 -9.028 5.846 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.481 -9.984 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.734 -11.343 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.853 -13.015 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.632 -12.134 8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.359 -13.461 7.441 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.241 -7.263 6.355 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.670 -7.518 6.212 1.00 0.00 C ATOM 1202 C GLU A 78 -14.283 -6.601 5.156 1.00 0.00 C ATOM 1203 O GLU A 78 -15.186 -7.000 4.422 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.383 -7.319 7.551 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.276 -5.904 8.094 1.00 0.00 C ATOM 1206 CD GLU A 78 -15.229 -5.647 9.245 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -16.298 -6.291 9.286 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -14.904 -4.802 10.105 1.00 0.00 O ATOM 0 H GLU A 78 -11.908 -7.254 7.319 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.798 -8.552 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.436 -7.575 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.966 -8.012 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.254 -5.723 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.481 -5.195 7.292 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.784 -5.371 5.088 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.280 -4.399 4.122 1.00 0.00 C ATOM 1217 C ALA A 79 -13.837 -4.754 2.708 1.00 0.00 C ATOM 1218 O ALA A 79 -14.638 -4.744 1.773 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.807 -3.001 4.491 1.00 0.00 C ATOM 0 H ALA A 79 -13.037 -5.025 5.690 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.369 -4.421 4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.185 -2.285 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.180 -2.740 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.717 -2.975 4.495 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.554 -5.068 2.556 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.003 -5.427 1.254 1.00 0.00 C ATOM 1227 C VAL A 80 -12.958 -6.332 0.484 1.00 0.00 C ATOM 1228 O VAL A 80 -13.331 -6.034 -0.650 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.643 -6.136 1.396 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.118 -6.562 0.034 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.644 -5.234 2.104 1.00 0.00 C ATOM 0 H VAL A 80 -11.877 -5.081 3.318 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.864 -4.497 0.702 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.781 -7.032 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.156 -7.061 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.827 -7.247 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.994 -5.683 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.689 -5.751 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.508 -4.319 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.019 -4.985 3.097 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.350 -7.437 1.109 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.262 -8.386 0.482 1.00 0.00 C ATOM 1243 C GLN A 81 -15.643 -8.323 1.127 1.00 0.00 C ATOM 1244 O GLN A 81 -15.766 -8.320 2.352 1.00 0.00 O ATOM 1245 CB GLN A 81 -13.704 -9.806 0.584 1.00 0.00 C ATOM 1246 CG GLN A 81 -13.342 -10.218 2.002 1.00 0.00 C ATOM 1247 CD GLN A 81 -12.570 -11.521 2.052 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -13.137 -12.583 2.312 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -11.267 -11.448 1.803 1.00 0.00 N ATOM 0 H GLN A 81 -13.051 -7.697 2.049 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.359 -8.116 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.440 -10.506 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.818 -9.885 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.748 -9.430 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.254 -10.317 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.838 -10.547 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.696 -12.293 1.823 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.678 -8.271 0.295 1.00 0.00 N ATOM 1259 CA ARG A 82 -18.049 -8.206 0.785 1.00 0.00 C ATOM 1260 C ARG A 82 -18.687 -9.592 0.803 1.00 0.00 C ATOM 1261 O ARG A 82 -18.847 -10.227 -0.239 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.880 -7.262 -0.085 1.00 0.00 C ATOM 1263 CG ARG A 82 -18.693 -7.486 -1.577 1.00 0.00 C ATOM 1264 CD ARG A 82 -19.953 -7.142 -2.355 1.00 0.00 C ATOM 1265 NE ARG A 82 -19.711 -7.086 -3.794 1.00 0.00 N ATOM 1266 CZ ARG A 82 -19.212 -6.022 -4.414 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -18.904 -4.932 -3.724 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -19.019 -6.048 -5.727 1.00 0.00 N ATOM 0 H ARG A 82 -16.593 -8.273 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.025 -7.823 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -19.934 -7.386 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.615 -6.232 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.864 -6.876 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.425 -8.527 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.722 -7.885 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.338 -6.181 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.937 -7.908 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.050 -4.909 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.521 -4.117 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.254 -6.885 -6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.636 -5.231 -6.202 1.00 0.00 H new ATOM 1282 N GLY A 83 -19.049 -10.057 1.995 1.00 0.00 N ATOM 1283 CA GLY A 83 -19.664 -11.365 2.126 1.00 0.00 C ATOM 1284 C GLY A 83 -18.996 -12.216 3.187 1.00 0.00 C ATOM 1285 O GLY A 83 -18.367 -13.227 2.876 1.00 0.00 O ATOM 0 H GLY A 83 -18.927 -9.551 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.719 -11.244 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.618 -11.882 1.168 1.00 0.00 H new ATOM 1289 N SER A 84 -19.130 -11.806 4.444 1.00 0.00 N ATOM 1290 CA SER A 84 -18.529 -12.535 5.555 1.00 0.00 C ATOM 1291 C SER A 84 -18.907 -14.012 5.502 1.00 0.00 C ATOM 1292 O SER A 84 -19.709 -14.430 4.668 1.00 0.00 O ATOM 1293 CB SER A 84 -18.972 -11.931 6.889 1.00 0.00 C ATOM 1294 OG SER A 84 -20.334 -12.220 7.152 1.00 0.00 O ATOM 0 H SER A 84 -19.650 -10.972 4.719 1.00 0.00 H new ATOM 0 HA SER A 84 -17.446 -12.451 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.351 -12.325 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.823 -10.851 6.870 1.00 0.00 H new ATOM 0 HG SER A 84 -20.592 -11.825 8.011 1.00 0.00 H new ATOM 1300 N GLY A 85 -18.321 -14.799 6.400 1.00 0.00 N ATOM 1301 CA GLY A 85 -18.607 -16.221 6.440 1.00 0.00 C ATOM 1302 C GLY A 85 -17.476 -17.023 7.052 1.00 0.00 C ATOM 1303 O GLY A 85 -16.613 -16.488 7.748 1.00 0.00 O ATOM 0 H GLY A 85 -17.653 -14.477 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -19.519 -16.389 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.796 -16.579 5.428 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.473 -18.340 6.795 1.00 0.00 N ATOM 1308 CA PRO A 86 -16.446 -19.246 7.318 1.00 0.00 C ATOM 1309 C PRO A 86 -15.085 -19.016 6.669 1.00 0.00 C ATOM 1310 O PRO A 86 -14.972 -18.960 5.445 1.00 0.00 O ATOM 1311 CB PRO A 86 -16.981 -20.634 6.959 1.00 0.00 C ATOM 1312 CG PRO A 86 -17.863 -20.407 5.780 1.00 0.00 C ATOM 1313 CD PRO A 86 -18.470 -19.045 5.973 1.00 0.00 C ATOM 0 HA PRO A 86 -16.280 -19.101 8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.170 -21.321 6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.535 -21.072 7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.293 -20.452 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.636 -21.173 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -18.635 -18.540 5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.436 -19.103 6.475 1.00 0.00 H new ATOM 1321 N SER A 87 -14.054 -18.883 7.498 1.00 0.00 N ATOM 1322 CA SER A 87 -12.701 -18.655 7.005 1.00 0.00 C ATOM 1323 C SER A 87 -11.783 -19.813 7.385 1.00 0.00 C ATOM 1324 O SER A 87 -11.622 -20.132 8.563 1.00 0.00 O ATOM 1325 CB SER A 87 -12.145 -17.344 7.564 1.00 0.00 C ATOM 1326 OG SER A 87 -10.911 -17.012 6.953 1.00 0.00 O ATOM 0 H SER A 87 -14.130 -18.929 8.514 1.00 0.00 H new ATOM 0 HA SER A 87 -12.743 -18.588 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.864 -16.541 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.008 -17.433 8.642 1.00 0.00 H new ATOM 0 HG SER A 87 -10.577 -16.169 7.326 1.00 0.00 H new ATOM 1332 N SER A 88 -11.182 -20.439 6.377 1.00 0.00 N ATOM 1333 CA SER A 88 -10.283 -21.564 6.604 1.00 0.00 C ATOM 1334 C SER A 88 -9.370 -21.298 7.797 1.00 0.00 C ATOM 1335 O SER A 88 -8.696 -20.271 7.860 1.00 0.00 O ATOM 1336 CB SER A 88 -9.442 -21.831 5.354 1.00 0.00 C ATOM 1337 OG SER A 88 -8.868 -23.126 5.393 1.00 0.00 O ATOM 0 H SER A 88 -11.302 -20.186 5.396 1.00 0.00 H new ATOM 0 HA SER A 88 -10.889 -22.444 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.065 -21.732 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.654 -21.082 5.276 1.00 0.00 H new ATOM 0 HG SER A 88 -8.337 -23.273 4.583 1.00 0.00 H new ATOM 1343 N GLY A 89 -9.355 -22.233 8.743 1.00 0.00 N ATOM 1344 CA GLY A 89 -8.522 -22.081 9.922 1.00 0.00 C ATOM 1345 C GLY A 89 -8.757 -20.763 10.632 1.00 0.00 C ATOM 1346 O GLY A 89 -9.910 -20.370 10.801 1.00 0.00 O ATOM 0 H GLY A 89 -9.904 -23.092 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.720 -22.902 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.473 -22.153 9.634 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.480 5.490 0.289 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 9.960 -4.642 5.743 1.00 0.00 ZN