USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 543 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 64 TYR OH : rot -130:sc= -0.702 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -161:sc= 0.464 (180deg=0.229!) USER MOD Set 2.1: A 46 CYS SG : rot 152:sc= -1.63 USER MOD Set 2.2: A 52 CYS SG : rot 148:sc= -0.121 USER MOD Set 2.3: A 62 CYS SG : rot -164:sc= 0.862 USER MOD Set 2.4: A 65 CYS SG : rot 145:sc= -0.345 USER MOD Set 3.1: A 10 CYS SG : rot 157:sc= 0.395! USER MOD Set 3.2: A 13 CYS SG : rot -42:sc= 1.75 USER MOD Set 3.3: A 27 CYS SG : rot -127:sc= 1.43 USER MOD Set 3.4: A 30 CYS SG : rot 80:sc= 0.0601 USER MOD Set 3.5: A 56 GLN : amide:sc= -1.65 X(o=2,f=2.5) USER MOD Set 4.1: A 26 THR OG1 : rot 29:sc= -0.0175 USER MOD Set 4.2: A 75 MET CE :methyl -155:sc= -2.74! (180deg=-3.98!) USER MOD Set 5.1: A 18 SER OG : rot -168:sc= 1.71 USER MOD Set 5.2: A 21 HIS : no HD1:sc= 0.393 K(o=2.1,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -120:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= -0.248 (180deg=-0.392) USER MOD Single : A 22 TYR OH : rot -167:sc= -0.876 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.774 F(o=-1.7,f=-0.77) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0.298 (180deg=0.249) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 14:sc= -0.727 USER MOD Single : A 41 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.053) USER MOD Single : A 43 THR OG1 : rot -16:sc= 0.712 USER MOD Single : A 44 TYR OH : rot -15:sc= -0.976 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc=-0.00199 F(o=-0.6,f=-0.002) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.51! C(o=-2.9!,f=-1.5!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0816) USER MOD Single : A 70 CYS SG : rot -83:sc= -1.14 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.524 15.426 2.627 1.00 0.00 N ATOM 67 CA ILE A 8 -6.203 14.262 3.444 1.00 0.00 C ATOM 68 C ILE A 8 -4.963 13.548 2.919 1.00 0.00 C ATOM 69 O ILE A 8 -4.723 13.504 1.713 1.00 0.00 O ATOM 70 CB ILE A 8 -7.376 13.265 3.488 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.704 14.011 3.635 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.188 12.277 4.629 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.917 13.115 3.521 1.00 0.00 C ATOM 0 HA ILE A 8 -6.009 14.627 4.453 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.396 12.709 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.724 14.514 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.762 14.786 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.025 11.579 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.259 11.726 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.145 12.817 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.822 13.712 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.922 12.632 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.883 12.355 4.302 1.00 0.00 H new ATOM 85 N GLU A 9 -4.177 12.988 3.835 1.00 0.00 N ATOM 86 CA GLU A 9 -2.961 12.274 3.464 1.00 0.00 C ATOM 87 C GLU A 9 -3.114 10.776 3.707 1.00 0.00 C ATOM 88 O GLU A 9 -4.022 10.340 4.415 1.00 0.00 O ATOM 89 CB GLU A 9 -1.767 12.812 4.254 1.00 0.00 C ATOM 90 CG GLU A 9 -1.270 14.161 3.765 1.00 0.00 C ATOM 91 CD GLU A 9 -0.325 14.827 4.747 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.689 14.937 5.937 1.00 0.00 O ATOM 93 OE2 GLU A 9 0.776 15.237 4.326 1.00 0.00 O ATOM 0 H GLU A 9 -4.361 13.015 4.838 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.785 12.435 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.046 12.896 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.951 12.092 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.763 14.032 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.123 14.815 3.587 1.00 0.00 H new ATOM 100 N CYS A 10 -2.220 9.992 3.115 1.00 0.00 N ATOM 101 CA CYS A 10 -2.254 8.542 3.265 1.00 0.00 C ATOM 102 C CYS A 10 -1.596 8.115 4.574 1.00 0.00 C ATOM 103 O CYS A 10 -0.423 8.401 4.814 1.00 0.00 O ATOM 104 CB CYS A 10 -1.550 7.869 2.085 1.00 0.00 C ATOM 105 SG CYS A 10 -1.623 6.049 2.116 1.00 0.00 S ATOM 0 H CYS A 10 -1.462 10.337 2.526 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.298 8.228 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.999 8.224 1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.505 8.180 2.073 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.459 5.588 0.912 1.00 0.00 H new ATOM 110 N VAL A 11 -2.360 7.429 5.418 1.00 0.00 N ATOM 111 CA VAL A 11 -1.852 6.961 6.702 1.00 0.00 C ATOM 112 C VAL A 11 -0.839 5.838 6.516 1.00 0.00 C ATOM 113 O VAL A 11 -0.322 5.285 7.487 1.00 0.00 O ATOM 114 CB VAL A 11 -2.993 6.463 7.609 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.911 7.613 7.992 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.774 5.353 6.922 1.00 0.00 C ATOM 0 H VAL A 11 -3.333 7.185 5.236 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.364 7.811 7.178 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.557 6.058 8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.711 7.242 8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.340 8.372 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.341 8.051 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.576 5.013 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.200 5.730 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.106 4.520 6.704 1.00 0.00 H new ATOM 126 N VAL A 12 -0.557 5.504 5.260 1.00 0.00 N ATOM 127 CA VAL A 12 0.396 4.447 4.945 1.00 0.00 C ATOM 128 C VAL A 12 1.705 5.026 4.419 1.00 0.00 C ATOM 129 O VAL A 12 2.774 4.784 4.981 1.00 0.00 O ATOM 130 CB VAL A 12 -0.175 3.468 3.902 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.829 2.367 3.597 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.491 2.881 4.388 1.00 0.00 C ATOM 0 H VAL A 12 -0.976 5.951 4.444 1.00 0.00 H new ATOM 0 HA VAL A 12 0.587 3.907 5.872 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.367 4.017 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.408 1.685 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.745 2.808 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.055 1.817 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.881 2.192 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.327 2.346 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.210 3.684 4.550 1.00 0.00 H new ATOM 142 N CYS A 13 1.614 5.792 3.338 1.00 0.00 N ATOM 143 CA CYS A 13 2.790 6.407 2.735 1.00 0.00 C ATOM 144 C CYS A 13 2.753 7.924 2.894 1.00 0.00 C ATOM 145 O CYS A 13 3.763 8.603 2.714 1.00 0.00 O ATOM 146 CB CYS A 13 2.879 6.042 1.252 1.00 0.00 C ATOM 147 SG CYS A 13 1.463 6.614 0.259 1.00 0.00 S ATOM 0 H CYS A 13 0.737 6.002 2.861 1.00 0.00 H new ATOM 0 HA CYS A 13 3.672 6.026 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.794 6.466 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.960 4.959 1.160 1.00 0.00 H new ATOM 0 HG CYS A 13 0.361 6.412 0.918 1.00 0.00 H new ATOM 152 N GLY A 14 1.580 8.450 3.235 1.00 0.00 N ATOM 153 CA GLY A 14 1.432 9.883 3.413 1.00 0.00 C ATOM 154 C GLY A 14 0.850 10.562 2.190 1.00 0.00 C ATOM 155 O GLY A 14 0.395 11.704 2.264 1.00 0.00 O ATOM 0 H GLY A 14 0.729 7.909 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.789 10.075 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.404 10.320 3.639 1.00 0.00 H new ATOM 159 N ASP A 15 0.864 9.861 1.062 1.00 0.00 N ATOM 160 CA ASP A 15 0.333 10.404 -0.183 1.00 0.00 C ATOM 161 C ASP A 15 -1.083 10.936 0.017 1.00 0.00 C ATOM 162 O ASP A 15 -1.886 10.341 0.735 1.00 0.00 O ATOM 163 CB ASP A 15 0.340 9.333 -1.275 1.00 0.00 C ATOM 164 CG ASP A 15 -0.165 9.859 -2.604 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.643 10.444 -3.356 1.00 0.00 O ATOM 166 OD2 ASP A 15 -1.367 9.685 -2.893 1.00 0.00 O ATOM 0 H ASP A 15 1.237 8.915 0.984 1.00 0.00 H new ATOM 0 HA ASP A 15 0.972 11.231 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.354 8.952 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.280 8.493 -0.961 1.00 0.00 H new ATOM 171 N LYS A 16 -1.382 12.061 -0.624 1.00 0.00 N ATOM 172 CA LYS A 16 -2.700 12.675 -0.518 1.00 0.00 C ATOM 173 C LYS A 16 -3.801 11.631 -0.676 1.00 0.00 C ATOM 174 O LYS A 16 -4.142 11.239 -1.792 1.00 0.00 O ATOM 175 CB LYS A 16 -2.863 13.767 -1.578 1.00 0.00 C ATOM 176 CG LYS A 16 -3.971 14.758 -1.265 1.00 0.00 C ATOM 177 CD LYS A 16 -3.568 15.713 -0.154 1.00 0.00 C ATOM 178 CE LYS A 16 -2.894 16.959 -0.708 1.00 0.00 C ATOM 179 NZ LYS A 16 -1.945 17.558 0.270 1.00 0.00 N ATOM 0 H LYS A 16 -0.729 12.566 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.786 13.122 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.922 14.307 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.067 13.299 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.217 15.326 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.872 14.218 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.450 15.999 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.891 15.207 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.360 16.706 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.653 17.694 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.507 18.405 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.459 17.823 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.206 16.865 0.505 1.00 0.00 H new ATOM 193 N SER A 17 -4.353 11.185 0.448 1.00 0.00 N ATOM 194 CA SER A 17 -5.413 10.184 0.434 1.00 0.00 C ATOM 195 C SER A 17 -6.568 10.629 -0.459 1.00 0.00 C ATOM 196 O SER A 17 -6.971 11.792 -0.439 1.00 0.00 O ATOM 197 CB SER A 17 -5.921 9.930 1.855 1.00 0.00 C ATOM 198 OG SER A 17 -7.156 9.234 1.838 1.00 0.00 O ATOM 0 H SER A 17 -4.084 11.501 1.380 1.00 0.00 H new ATOM 0 HA SER A 17 -5.001 9.259 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.182 9.353 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.042 10.879 2.377 1.00 0.00 H new ATOM 0 HG SER A 17 -7.842 9.775 2.282 1.00 0.00 H new ATOM 204 N SER A 18 -7.096 9.693 -1.242 1.00 0.00 N ATOM 205 CA SER A 18 -8.201 9.988 -2.146 1.00 0.00 C ATOM 206 C SER A 18 -9.529 10.002 -1.394 1.00 0.00 C ATOM 207 O SER A 18 -10.490 10.639 -1.822 1.00 0.00 O ATOM 208 CB SER A 18 -8.253 8.956 -3.275 1.00 0.00 C ATOM 209 OG SER A 18 -8.887 7.763 -2.847 1.00 0.00 O ATOM 0 H SER A 18 -6.776 8.725 -1.268 1.00 0.00 H new ATOM 0 HA SER A 18 -8.034 10.977 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.791 9.372 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.242 8.732 -3.614 1.00 0.00 H new ATOM 0 HG SER A 18 -8.747 7.060 -3.515 1.00 0.00 H new ATOM 215 N GLY A 19 -9.572 9.295 -0.269 1.00 0.00 N ATOM 216 CA GLY A 19 -10.785 9.239 0.526 1.00 0.00 C ATOM 217 C GLY A 19 -10.711 8.198 1.625 1.00 0.00 C ATOM 218 O GLY A 19 -9.643 7.651 1.902 1.00 0.00 O ATOM 0 H GLY A 19 -8.789 8.760 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.971 10.218 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.632 9.017 -0.124 1.00 0.00 H new ATOM 222 N LYS A 20 -11.848 7.923 2.254 1.00 0.00 N ATOM 223 CA LYS A 20 -11.910 6.940 3.330 1.00 0.00 C ATOM 224 C LYS A 20 -12.133 5.537 2.774 1.00 0.00 C ATOM 225 O LYS A 20 -13.267 5.069 2.682 1.00 0.00 O ATOM 226 CB LYS A 20 -13.030 7.296 4.310 1.00 0.00 C ATOM 227 CG LYS A 20 -13.197 6.288 5.435 1.00 0.00 C ATOM 228 CD LYS A 20 -13.716 6.948 6.702 1.00 0.00 C ATOM 229 CE LYS A 20 -12.584 7.550 7.520 1.00 0.00 C ATOM 230 NZ LYS A 20 -11.855 6.515 8.305 1.00 0.00 N ATOM 0 H LYS A 20 -12.740 8.367 2.037 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.956 6.955 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.827 8.277 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.969 7.376 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.887 5.504 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.240 5.808 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.432 7.727 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.250 6.213 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.887 8.059 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.986 8.303 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.849 6.782 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.330 5.597 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.877 6.443 7.960 1.00 0.00 H new ATOM 244 N HIS A 21 -11.042 4.871 2.406 1.00 0.00 N ATOM 245 CA HIS A 21 -11.120 3.521 1.861 1.00 0.00 C ATOM 246 C HIS A 21 -10.873 2.481 2.950 1.00 0.00 C ATOM 247 O HIS A 21 -9.919 2.588 3.720 1.00 0.00 O ATOM 248 CB HIS A 21 -10.103 3.345 0.732 1.00 0.00 C ATOM 249 CG HIS A 21 -10.395 4.185 -0.473 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.335 3.840 -1.421 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.866 5.363 -0.880 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.370 4.768 -2.361 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.488 5.703 -2.056 1.00 0.00 N ATOM 0 H HIS A 21 -10.095 5.244 2.476 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.124 3.373 1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.110 3.594 1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.078 2.296 0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.098 5.929 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.011 4.763 -3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.300 6.542 -2.605 1.00 0.00 H new ATOM 261 N TYR A 22 -11.740 1.476 3.008 1.00 0.00 N ATOM 262 CA TYR A 22 -11.619 0.419 4.005 1.00 0.00 C ATOM 263 C TYR A 22 -11.656 0.994 5.417 1.00 0.00 C ATOM 264 O TYR A 22 -10.903 0.570 6.292 1.00 0.00 O ATOM 265 CB TYR A 22 -10.321 -0.363 3.794 1.00 0.00 C ATOM 266 CG TYR A 22 -10.095 -0.787 2.361 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.964 -1.670 1.732 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.012 -0.305 1.635 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.761 -2.061 0.423 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.802 -0.690 0.325 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.679 -1.568 -0.277 1.00 0.00 C ATOM 272 OH TYR A 22 -9.474 -1.954 -1.581 1.00 0.00 O ATOM 0 H TYR A 22 -12.534 1.371 2.376 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.466 -0.256 3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.481 0.250 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.334 -1.249 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.813 -2.057 2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.323 0.382 2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.446 -2.749 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.956 -0.306 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.573 -1.689 -1.863 1.00 0.00 H new ATOM 282 N GLY A 23 -12.541 1.963 5.631 1.00 0.00 N ATOM 283 CA GLY A 23 -12.662 2.582 6.938 1.00 0.00 C ATOM 284 C GLY A 23 -11.405 3.324 7.347 1.00 0.00 C ATOM 285 O GLY A 23 -11.191 3.590 8.529 1.00 0.00 O ATOM 0 H GLY A 23 -13.176 2.330 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.503 3.275 6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.886 1.816 7.680 1.00 0.00 H new ATOM 289 N GLN A 24 -10.572 3.658 6.367 1.00 0.00 N ATOM 290 CA GLN A 24 -9.329 4.372 6.632 1.00 0.00 C ATOM 291 C GLN A 24 -8.914 5.210 5.427 1.00 0.00 C ATOM 292 O GLN A 24 -9.116 4.809 4.280 1.00 0.00 O ATOM 293 CB GLN A 24 -8.216 3.386 6.990 1.00 0.00 C ATOM 294 CG GLN A 24 -7.198 3.946 7.970 1.00 0.00 C ATOM 295 CD GLN A 24 -7.837 4.463 9.244 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.516 3.580 9.966 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.722 5.644 9.575 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.735 3.446 5.383 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.497 5.041 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.662 2.487 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.702 3.085 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.475 3.170 8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.645 4.754 7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.191 6.288 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.158 5.978 10.435 1.00 0.00 H new ATOM 306 N PHE A 25 -8.334 6.375 5.694 1.00 0.00 N ATOM 307 CA PHE A 25 -7.892 7.270 4.631 1.00 0.00 C ATOM 308 C PHE A 25 -6.552 6.816 4.059 1.00 0.00 C ATOM 309 O PHE A 25 -5.538 6.800 4.758 1.00 0.00 O ATOM 310 CB PHE A 25 -7.775 8.703 5.157 1.00 0.00 C ATOM 311 CG PHE A 25 -9.102 9.344 5.448 1.00 0.00 C ATOM 312 CD1 PHE A 25 -9.993 9.619 4.424 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.457 9.672 6.747 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.215 10.209 4.689 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.677 10.261 7.018 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.557 10.532 5.987 1.00 0.00 C ATOM 0 H PHE A 25 -8.159 6.722 6.637 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.636 7.242 3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.175 8.700 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.241 9.308 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.730 9.370 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.772 9.465 7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.901 10.417 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.943 10.510 8.035 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.510 10.995 6.196 1.00 0.00 H new ATOM 326 N THR A 26 -6.555 6.446 2.782 1.00 0.00 N ATOM 327 CA THR A 26 -5.342 5.990 2.116 1.00 0.00 C ATOM 328 C THR A 26 -5.379 6.311 0.626 1.00 0.00 C ATOM 329 O THR A 26 -6.417 6.179 -0.023 1.00 0.00 O ATOM 330 CB THR A 26 -5.138 4.474 2.297 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.338 3.773 1.948 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.753 4.147 3.732 1.00 0.00 C ATOM 0 H THR A 26 -7.385 6.453 2.189 1.00 0.00 H new ATOM 0 HA THR A 26 -4.509 6.520 2.579 1.00 0.00 H new ATOM 0 HB THR A 26 -4.328 4.158 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.829 4.283 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.614 3.071 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.824 4.658 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.544 4.477 4.405 1.00 0.00 H new ATOM 340 N CYS A 27 -4.240 6.735 0.089 1.00 0.00 N ATOM 341 CA CYS A 27 -4.141 7.076 -1.325 1.00 0.00 C ATOM 342 C CYS A 27 -4.580 5.905 -2.199 1.00 0.00 C ATOM 343 O CYS A 27 -4.748 4.786 -1.715 1.00 0.00 O ATOM 344 CB CYS A 27 -2.707 7.478 -1.675 1.00 0.00 C ATOM 345 SG CYS A 27 -1.514 6.103 -1.618 1.00 0.00 S ATOM 0 H CYS A 27 -3.372 6.851 0.612 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.805 7.919 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.697 7.913 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.381 8.257 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.508 6.433 -0.864 1.00 0.00 H new ATOM 350 N GLU A 28 -4.763 6.171 -3.489 1.00 0.00 N ATOM 351 CA GLU A 28 -5.183 5.140 -4.430 1.00 0.00 C ATOM 352 C GLU A 28 -4.101 4.074 -4.587 1.00 0.00 C ATOM 353 O GLU A 28 -4.395 2.914 -4.871 1.00 0.00 O ATOM 354 CB GLU A 28 -5.505 5.760 -5.791 1.00 0.00 C ATOM 355 CG GLU A 28 -6.765 6.610 -5.789 1.00 0.00 C ATOM 356 CD GLU A 28 -8.031 5.776 -5.797 1.00 0.00 C ATOM 357 OE1 GLU A 28 -8.343 5.181 -6.850 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.711 5.718 -4.751 1.00 0.00 O ATOM 0 H GLU A 28 -4.627 7.092 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.081 4.666 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.663 6.374 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.615 4.964 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.764 7.253 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.759 7.264 -6.661 1.00 0.00 H new ATOM 365 N GLY A 29 -2.849 4.479 -4.402 1.00 0.00 N ATOM 366 CA GLY A 29 -1.742 3.549 -4.528 1.00 0.00 C ATOM 367 C GLY A 29 -1.791 2.446 -3.490 1.00 0.00 C ATOM 368 O GLY A 29 -1.584 1.274 -3.807 1.00 0.00 O ATOM 0 H GLY A 29 -2.581 5.435 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.754 3.107 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.802 4.093 -4.432 1.00 0.00 H new ATOM 372 N CYS A 30 -2.064 2.819 -2.244 1.00 0.00 N ATOM 373 CA CYS A 30 -2.137 1.853 -1.154 1.00 0.00 C ATOM 374 C CYS A 30 -3.512 1.194 -1.104 1.00 0.00 C ATOM 375 O CYS A 30 -3.641 0.028 -0.729 1.00 0.00 O ATOM 376 CB CYS A 30 -1.838 2.537 0.182 1.00 0.00 C ATOM 377 SG CYS A 30 -0.175 3.274 0.284 1.00 0.00 S ATOM 0 H CYS A 30 -2.238 3.784 -1.964 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.389 1.081 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.580 3.317 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.951 1.808 0.984 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.171 4.421 -0.327 1.00 0.00 H new ATOM 382 N LYS A 31 -4.538 1.947 -1.485 1.00 0.00 N ATOM 383 CA LYS A 31 -5.904 1.437 -1.485 1.00 0.00 C ATOM 384 C LYS A 31 -6.001 0.142 -2.286 1.00 0.00 C ATOM 385 O LYS A 31 -6.540 -0.856 -1.808 1.00 0.00 O ATOM 386 CB LYS A 31 -6.860 2.481 -2.066 1.00 0.00 C ATOM 387 CG LYS A 31 -8.246 1.937 -2.365 1.00 0.00 C ATOM 388 CD LYS A 31 -8.355 1.447 -3.799 1.00 0.00 C ATOM 389 CE LYS A 31 -8.159 2.582 -4.793 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.762 2.270 -6.118 1.00 0.00 N ATOM 0 H LYS A 31 -4.449 2.914 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.187 1.228 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.948 3.311 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.431 2.883 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.472 1.118 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.989 2.714 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.609 0.673 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.332 0.990 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.606 3.493 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.094 2.777 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.805 3.136 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.180 1.559 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.723 1.896 -5.983 1.00 0.00 H new ATOM 404 N SER A 32 -5.475 0.166 -3.506 1.00 0.00 N ATOM 405 CA SER A 32 -5.504 -1.005 -4.374 1.00 0.00 C ATOM 406 C SER A 32 -4.461 -2.030 -3.940 1.00 0.00 C ATOM 407 O SER A 32 -4.700 -3.237 -3.991 1.00 0.00 O ATOM 408 CB SER A 32 -5.259 -0.596 -5.828 1.00 0.00 C ATOM 409 OG SER A 32 -5.279 -1.723 -6.686 1.00 0.00 O ATOM 0 H SER A 32 -5.024 0.984 -3.916 1.00 0.00 H new ATOM 0 HA SER A 32 -6.491 -1.460 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.021 0.117 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.297 -0.090 -5.909 1.00 0.00 H new ATOM 0 HG SER A 32 -5.122 -1.434 -7.609 1.00 0.00 H new ATOM 415 N PHE A 33 -3.302 -1.540 -3.511 1.00 0.00 N ATOM 416 CA PHE A 33 -2.221 -2.412 -3.068 1.00 0.00 C ATOM 417 C PHE A 33 -2.651 -3.242 -1.862 1.00 0.00 C ATOM 418 O PHE A 33 -2.232 -4.389 -1.703 1.00 0.00 O ATOM 419 CB PHE A 33 -0.982 -1.585 -2.716 1.00 0.00 C ATOM 420 CG PHE A 33 0.063 -2.360 -1.966 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.969 -3.161 -2.642 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.140 -2.287 -0.585 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.931 -3.876 -1.954 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.100 -2.999 0.109 1.00 0.00 C ATOM 425 CZ PHE A 33 1.998 -3.794 -0.577 1.00 0.00 C ATOM 0 H PHE A 33 -3.088 -0.544 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.977 -3.090 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.544 -1.194 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.286 -0.727 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.923 -3.227 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.559 -1.666 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.630 -4.498 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.148 -2.934 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.751 -4.350 -0.038 1.00 0.00 H new ATOM 435 N PHE A 34 -3.489 -2.655 -1.016 1.00 0.00 N ATOM 436 CA PHE A 34 -3.976 -3.339 0.177 1.00 0.00 C ATOM 437 C PHE A 34 -4.948 -4.454 -0.194 1.00 0.00 C ATOM 438 O PHE A 34 -4.892 -5.552 0.360 1.00 0.00 O ATOM 439 CB PHE A 34 -4.658 -2.344 1.118 1.00 0.00 C ATOM 440 CG PHE A 34 -5.338 -2.996 2.288 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.612 -3.746 3.199 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.704 -2.859 2.477 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.235 -4.347 4.277 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.332 -3.457 3.553 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.597 -4.203 4.453 1.00 0.00 C ATOM 0 H PHE A 34 -3.846 -1.707 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.120 -3.782 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.915 -1.637 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.393 -1.769 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.547 -3.863 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.284 -2.278 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.657 -4.928 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.397 -3.341 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.087 -4.673 5.293 1.00 0.00 H new ATOM 455 N LYS A 35 -5.840 -4.165 -1.136 1.00 0.00 N ATOM 456 CA LYS A 35 -6.825 -5.142 -1.584 1.00 0.00 C ATOM 457 C LYS A 35 -6.152 -6.294 -2.323 1.00 0.00 C ATOM 458 O LYS A 35 -6.168 -7.434 -1.861 1.00 0.00 O ATOM 459 CB LYS A 35 -7.860 -4.474 -2.492 1.00 0.00 C ATOM 460 CG LYS A 35 -8.542 -5.437 -3.448 1.00 0.00 C ATOM 461 CD LYS A 35 -9.362 -4.699 -4.493 1.00 0.00 C ATOM 462 CE LYS A 35 -9.713 -5.601 -5.665 1.00 0.00 C ATOM 463 NZ LYS A 35 -8.584 -5.724 -6.628 1.00 0.00 N ATOM 0 H LYS A 35 -5.901 -3.261 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.328 -5.543 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.617 -3.992 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.372 -3.688 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.791 -6.053 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.189 -6.111 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.277 -4.320 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.803 -3.835 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.983 -6.590 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.588 -5.204 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.863 -6.347 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.342 -4.784 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.757 -6.127 -6.143 1.00 0.00 H new ATOM 477 N ARG A 36 -5.560 -5.987 -3.473 1.00 0.00 N ATOM 478 CA ARG A 36 -4.882 -6.997 -4.276 1.00 0.00 C ATOM 479 C ARG A 36 -4.208 -8.037 -3.386 1.00 0.00 C ATOM 480 O ARG A 36 -4.072 -9.200 -3.766 1.00 0.00 O ATOM 481 CB ARG A 36 -3.843 -6.341 -5.188 1.00 0.00 C ATOM 482 CG ARG A 36 -2.578 -5.914 -4.462 1.00 0.00 C ATOM 483 CD ARG A 36 -1.373 -5.925 -5.389 1.00 0.00 C ATOM 484 NE ARG A 36 -0.965 -7.283 -5.739 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.194 -7.572 -6.782 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.250 -6.604 -7.572 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.134 -8.832 -7.036 1.00 0.00 N ATOM 0 H ARG A 36 -5.536 -5.047 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.630 -7.499 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.578 -7.038 -5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.290 -5.469 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.713 -4.913 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.397 -6.582 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.610 -5.372 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.542 -5.409 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.289 -8.051 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.000 -5.634 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.842 -6.829 -8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.206 -9.579 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.726 -9.053 -7.837 1.00 0.00 H new ATOM 501 N SER A 37 -3.787 -7.609 -2.200 1.00 0.00 N ATOM 502 CA SER A 37 -3.123 -8.502 -1.257 1.00 0.00 C ATOM 503 C SER A 37 -4.140 -9.187 -0.350 1.00 0.00 C ATOM 504 O SER A 37 -4.095 -10.402 -0.154 1.00 0.00 O ATOM 505 CB SER A 37 -2.111 -7.725 -0.413 1.00 0.00 C ATOM 506 OG SER A 37 -2.672 -6.517 0.072 1.00 0.00 O ATOM 0 H SER A 37 -3.894 -6.650 -1.869 1.00 0.00 H new ATOM 0 HA SER A 37 -2.597 -9.268 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.784 -8.340 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.227 -7.505 -1.011 1.00 0.00 H new ATOM 0 HG SER A 37 -3.645 -6.538 -0.045 1.00 0.00 H new ATOM 512 N VAL A 38 -5.057 -8.399 0.202 1.00 0.00 N ATOM 513 CA VAL A 38 -6.087 -8.928 1.088 1.00 0.00 C ATOM 514 C VAL A 38 -7.068 -9.812 0.325 1.00 0.00 C ATOM 515 O VAL A 38 -7.186 -11.006 0.599 1.00 0.00 O ATOM 516 CB VAL A 38 -6.867 -7.796 1.782 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.014 -8.363 2.604 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.936 -6.965 2.652 1.00 0.00 C ATOM 0 H VAL A 38 -5.108 -7.391 0.051 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.577 -9.524 1.844 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.289 -7.146 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.553 -7.548 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.693 -8.911 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.619 -9.037 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.503 -6.169 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.484 -7.602 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.153 -6.528 2.033 1.00 0.00 H new ATOM 528 N ARG A 39 -7.770 -9.217 -0.634 1.00 0.00 N ATOM 529 CA ARG A 39 -8.741 -9.950 -1.437 1.00 0.00 C ATOM 530 C ARG A 39 -8.142 -11.251 -1.962 1.00 0.00 C ATOM 531 O ARG A 39 -8.856 -12.228 -2.188 1.00 0.00 O ATOM 532 CB ARG A 39 -9.221 -9.089 -2.607 1.00 0.00 C ATOM 533 CG ARG A 39 -8.151 -8.839 -3.658 1.00 0.00 C ATOM 534 CD ARG A 39 -8.161 -9.917 -4.730 1.00 0.00 C ATOM 535 NE ARG A 39 -9.484 -10.082 -5.328 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.740 -10.920 -6.326 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.769 -11.665 -6.836 1.00 0.00 N ATOM 538 NH2 ARG A 39 -10.969 -11.015 -6.817 1.00 0.00 N ATOM 0 H ARG A 39 -7.684 -8.229 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.591 -10.193 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.075 -9.575 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.572 -8.131 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.313 -7.865 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.171 -8.808 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.441 -9.662 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.839 -10.863 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.253 -9.523 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.823 -11.595 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.968 -12.308 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.719 -10.444 -6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.164 -11.659 -7.584 1.00 0.00 H new ATOM 552 N ARG A 40 -6.826 -11.256 -2.153 1.00 0.00 N ATOM 553 CA ARG A 40 -6.131 -12.436 -2.652 1.00 0.00 C ATOM 554 C ARG A 40 -5.603 -13.285 -1.499 1.00 0.00 C ATOM 555 O ARG A 40 -5.350 -14.478 -1.658 1.00 0.00 O ATOM 556 CB ARG A 40 -4.977 -12.025 -3.567 1.00 0.00 C ATOM 557 CG ARG A 40 -5.428 -11.534 -4.933 1.00 0.00 C ATOM 558 CD ARG A 40 -4.325 -11.681 -5.970 1.00 0.00 C ATOM 559 NE ARG A 40 -4.121 -13.075 -6.357 1.00 0.00 N ATOM 560 CZ ARG A 40 -2.983 -13.538 -6.862 1.00 0.00 C ATOM 561 NH1 ARG A 40 -1.952 -12.723 -7.039 1.00 0.00 N ATOM 562 NH2 ARG A 40 -2.874 -14.819 -7.191 1.00 0.00 N ATOM 0 H ARG A 40 -6.220 -10.456 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.843 -13.032 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.401 -11.239 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.308 -12.876 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.306 -12.097 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.727 -10.488 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.576 -11.093 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.395 -11.276 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.894 -13.728 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.032 -11.738 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.079 -13.081 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.665 -15.449 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.000 -15.173 -7.579 1.00 0.00 H new ATOM 576 N ASN A 41 -5.439 -12.659 -0.337 1.00 0.00 N ATOM 577 CA ASN A 41 -4.940 -13.356 0.842 1.00 0.00 C ATOM 578 C ASN A 41 -3.444 -13.632 0.719 1.00 0.00 C ATOM 579 O ASN A 41 -2.946 -14.644 1.212 1.00 0.00 O ATOM 580 CB ASN A 41 -5.697 -14.671 1.042 1.00 0.00 C ATOM 581 CG ASN A 41 -5.632 -15.163 2.475 1.00 0.00 C ATOM 582 OD1 ASN A 41 -6.380 -14.700 3.336 1.00 0.00 O ATOM 583 ND2 ASN A 41 -4.735 -16.107 2.736 1.00 0.00 N ATOM 0 H ASN A 41 -5.644 -11.671 -0.188 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.104 -12.715 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.739 -14.534 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.281 -15.431 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.645 -16.478 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.136 -16.461 1.990 1.00 0.00 H new ATOM 590 N LEU A 42 -2.734 -12.724 0.060 1.00 0.00 N ATOM 591 CA LEU A 42 -1.294 -12.867 -0.128 1.00 0.00 C ATOM 592 C LEU A 42 -0.546 -12.611 1.177 1.00 0.00 C ATOM 593 O LEU A 42 -1.134 -12.173 2.166 1.00 0.00 O ATOM 594 CB LEU A 42 -0.802 -11.904 -1.209 1.00 0.00 C ATOM 595 CG LEU A 42 -1.673 -11.799 -2.462 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.046 -10.848 -3.469 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.884 -13.172 -3.081 1.00 0.00 C ATOM 0 H LEU A 42 -3.131 -11.880 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.094 -13.891 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.712 -10.911 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.199 -12.210 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.645 -11.400 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.679 -10.786 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.948 -9.858 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.061 -11.217 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.506 -13.078 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.920 -13.599 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.378 -13.824 -2.361 1.00 0.00 H new ATOM 609 N THR A 43 0.754 -12.884 1.171 1.00 0.00 N ATOM 610 CA THR A 43 1.583 -12.682 2.353 1.00 0.00 C ATOM 611 C THR A 43 3.055 -12.557 1.977 1.00 0.00 C ATOM 612 O THR A 43 3.706 -13.546 1.638 1.00 0.00 O ATOM 613 CB THR A 43 1.418 -13.837 3.359 1.00 0.00 C ATOM 614 OG1 THR A 43 0.045 -13.954 3.750 1.00 0.00 O ATOM 615 CG2 THR A 43 2.284 -13.611 4.589 1.00 0.00 C ATOM 0 H THR A 43 1.256 -13.246 0.360 1.00 0.00 H new ATOM 0 HA THR A 43 1.250 -11.754 2.818 1.00 0.00 H new ATOM 0 HB THR A 43 1.737 -14.760 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.435 -13.134 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.151 -14.439 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.331 -13.552 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.992 -12.679 5.074 1.00 0.00 H new ATOM 623 N TYR A 44 3.575 -11.336 2.041 1.00 0.00 N ATOM 624 CA TYR A 44 4.971 -11.082 1.706 1.00 0.00 C ATOM 625 C TYR A 44 5.858 -11.196 2.942 1.00 0.00 C ATOM 626 O TYR A 44 5.420 -10.932 4.062 1.00 0.00 O ATOM 627 CB TYR A 44 5.123 -9.694 1.082 1.00 0.00 C ATOM 628 CG TYR A 44 3.934 -9.271 0.248 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.742 -9.779 -1.031 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.003 -8.363 0.739 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.657 -9.396 -1.796 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.916 -7.975 -0.019 1.00 0.00 C ATOM 633 CZ TYR A 44 1.747 -8.494 -1.286 1.00 0.00 C ATOM 634 OH TYR A 44 0.665 -8.109 -2.044 1.00 0.00 O ATOM 0 H TYR A 44 3.051 -10.507 2.322 1.00 0.00 H new ATOM 0 HA TYR A 44 5.287 -11.835 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.278 -8.963 1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.017 -9.681 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.453 -10.485 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.132 -7.954 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.522 -9.801 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.202 -7.269 0.378 1.00 0.00 H new ATOM 0 HH TYR A 44 0.812 -8.366 -2.978 1.00 0.00 H new ATOM 644 N THR A 45 7.109 -11.591 2.730 1.00 0.00 N ATOM 645 CA THR A 45 8.059 -11.741 3.825 1.00 0.00 C ATOM 646 C THR A 45 9.111 -10.638 3.796 1.00 0.00 C ATOM 647 O THR A 45 9.709 -10.363 2.755 1.00 0.00 O ATOM 648 CB THR A 45 8.765 -13.109 3.774 1.00 0.00 C ATOM 649 OG1 THR A 45 9.397 -13.382 5.029 1.00 0.00 O ATOM 650 CG2 THR A 45 9.801 -13.141 2.661 1.00 0.00 C ATOM 0 H THR A 45 7.488 -11.813 1.809 1.00 0.00 H new ATOM 0 HA THR A 45 7.487 -11.670 4.750 1.00 0.00 H new ATOM 0 HB THR A 45 8.014 -13.873 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.842 -14.254 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.287 -14.117 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.312 -12.962 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.548 -12.367 2.837 1.00 0.00 H new ATOM 658 N CYS A 46 9.333 -10.008 4.945 1.00 0.00 N ATOM 659 CA CYS A 46 10.314 -8.934 5.051 1.00 0.00 C ATOM 660 C CYS A 46 11.642 -9.462 5.585 1.00 0.00 C ATOM 661 O CYS A 46 11.863 -9.505 6.796 1.00 0.00 O ATOM 662 CB CYS A 46 9.789 -7.824 5.964 1.00 0.00 C ATOM 663 SG CYS A 46 10.914 -6.401 6.128 1.00 0.00 S ATOM 0 H CYS A 46 8.847 -10.223 5.816 1.00 0.00 H new ATOM 0 HA CYS A 46 10.480 -8.527 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.831 -7.474 5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.601 -8.241 6.953 1.00 0.00 H new ATOM 0 HG CYS A 46 10.223 -5.327 6.369 1.00 0.00 H new ATOM 668 N ARG A 47 12.523 -9.861 4.674 1.00 0.00 N ATOM 669 CA ARG A 47 13.829 -10.386 5.053 1.00 0.00 C ATOM 670 C ARG A 47 14.527 -9.451 6.036 1.00 0.00 C ATOM 671 O ARG A 47 15.471 -9.846 6.721 1.00 0.00 O ATOM 672 CB ARG A 47 14.703 -10.584 3.813 1.00 0.00 C ATOM 673 CG ARG A 47 15.807 -11.611 4.003 1.00 0.00 C ATOM 674 CD ARG A 47 16.188 -12.269 2.686 1.00 0.00 C ATOM 675 NE ARG A 47 16.862 -11.339 1.784 1.00 0.00 N ATOM 676 CZ ARG A 47 17.671 -11.723 0.803 1.00 0.00 C ATOM 677 NH1 ARG A 47 17.906 -13.012 0.599 1.00 0.00 N ATOM 678 NH2 ARG A 47 18.248 -10.816 0.024 1.00 0.00 N ATOM 0 H ARG A 47 12.356 -9.831 3.668 1.00 0.00 H new ATOM 0 HA ARG A 47 13.677 -11.349 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.072 -10.892 2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.150 -9.629 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.683 -11.129 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.479 -12.373 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.840 -13.121 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.292 -12.658 2.202 1.00 0.00 H new ATOM 0 HE ARG A 47 16.703 -10.340 1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.465 -13.712 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.528 -13.304 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.070 -9.824 0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.869 -11.112 -0.729 1.00 0.00 H new ATOM 692 N ALA A 48 14.057 -8.209 6.099 1.00 0.00 N ATOM 693 CA ALA A 48 14.635 -7.218 6.999 1.00 0.00 C ATOM 694 C ALA A 48 14.006 -7.303 8.385 1.00 0.00 C ATOM 695 O ALA A 48 13.222 -8.208 8.667 1.00 0.00 O ATOM 696 CB ALA A 48 14.463 -5.820 6.424 1.00 0.00 C ATOM 0 H ALA A 48 13.278 -7.865 5.538 1.00 0.00 H new ATOM 0 HA ALA A 48 15.700 -7.430 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.899 -5.090 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.965 -5.759 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.402 -5.608 6.295 1.00 0.00 H new ATOM 702 N ASN A 49 14.356 -6.355 9.248 1.00 0.00 N ATOM 703 CA ASN A 49 13.827 -6.324 10.607 1.00 0.00 C ATOM 704 C ASN A 49 12.446 -5.676 10.637 1.00 0.00 C ATOM 705 O ASN A 49 12.082 -5.013 11.608 1.00 0.00 O ATOM 706 CB ASN A 49 14.780 -5.562 11.530 1.00 0.00 C ATOM 707 CG ASN A 49 16.048 -6.341 11.821 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.844 -6.583 10.786 1.00 0.00 O flip ATOM 709 ND2 ASN A 49 16.309 -6.720 12.963 1.00 0.00 N flip ATOM 0 H ASN A 49 15.004 -5.598 9.031 1.00 0.00 H new ATOM 0 HA ASN A 49 13.735 -7.352 10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.040 -4.608 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.271 -5.337 12.468 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.668 -6.511 13.729 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.166 -7.243 13.144 1.00 0.00 H new ATOM 716 N ARG A 50 11.681 -5.875 9.569 1.00 0.00 N ATOM 717 CA ARG A 50 10.340 -5.310 9.473 1.00 0.00 C ATOM 718 C ARG A 50 10.313 -3.880 10.005 1.00 0.00 C ATOM 719 O ARG A 50 9.397 -3.495 10.729 1.00 0.00 O ATOM 720 CB ARG A 50 9.344 -6.174 10.249 1.00 0.00 C ATOM 721 CG ARG A 50 9.251 -7.603 9.739 1.00 0.00 C ATOM 722 CD ARG A 50 8.363 -8.455 10.633 1.00 0.00 C ATOM 723 NE ARG A 50 9.003 -8.760 11.910 1.00 0.00 N ATOM 724 CZ ARG A 50 8.650 -9.780 12.683 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.668 -10.590 12.312 1.00 0.00 N ATOM 726 NH2 ARG A 50 9.281 -9.993 13.832 1.00 0.00 N ATOM 0 H ARG A 50 11.967 -6.423 8.758 1.00 0.00 H new ATOM 0 HA ARG A 50 10.054 -5.293 8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.632 -6.190 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.358 -5.713 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.855 -7.603 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.249 -8.040 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.424 -7.933 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.117 -9.385 10.120 1.00 0.00 H new ATOM 0 HE ARG A 50 9.763 -8.156 12.225 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.181 -10.430 11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.400 -11.373 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.037 -9.373 14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.009 -10.777 14.425 1.00 0.00 H new ATOM 740 N ASN A 51 11.325 -3.099 9.640 1.00 0.00 N ATOM 741 CA ASN A 51 11.418 -1.713 10.081 1.00 0.00 C ATOM 742 C ASN A 51 11.395 -0.760 8.890 1.00 0.00 C ATOM 743 O ASN A 51 11.496 0.457 9.051 1.00 0.00 O ATOM 744 CB ASN A 51 12.696 -1.499 10.895 1.00 0.00 C ATOM 745 CG ASN A 51 13.272 -0.108 10.711 1.00 0.00 C ATOM 746 OD1 ASN A 51 13.952 0.107 9.591 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 13.108 0.762 11.566 1.00 0.00 N flip ATOM 0 H ASN A 51 12.092 -3.403 9.040 1.00 0.00 H new ATOM 0 HA ASN A 51 10.554 -1.500 10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.483 -1.664 11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.440 -2.239 10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.578 0.552 12.412 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.502 1.693 11.429 1.00 0.00 H new ATOM 754 N CYS A 52 11.260 -1.321 7.693 1.00 0.00 N ATOM 755 CA CYS A 52 11.223 -0.523 6.473 1.00 0.00 C ATOM 756 C CYS A 52 10.306 0.685 6.641 1.00 0.00 C ATOM 757 O CYS A 52 9.107 0.556 6.890 1.00 0.00 O ATOM 758 CB CYS A 52 10.750 -1.377 5.295 1.00 0.00 C ATOM 759 SG CYS A 52 11.524 -3.024 5.212 1.00 0.00 S ATOM 0 H CYS A 52 11.174 -2.326 7.542 1.00 0.00 H new ATOM 0 HA CYS A 52 12.233 -0.165 6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.669 -1.498 5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.956 -0.843 4.367 1.00 0.00 H new ATOM 0 HG CYS A 52 10.683 -3.873 4.700 1.00 0.00 H new ATOM 764 N PRO A 53 10.881 1.888 6.501 1.00 0.00 N ATOM 765 CA PRO A 53 10.134 3.143 6.632 1.00 0.00 C ATOM 766 C PRO A 53 9.165 3.363 5.476 1.00 0.00 C ATOM 767 O PRO A 53 9.483 4.058 4.510 1.00 0.00 O ATOM 768 CB PRO A 53 11.231 4.211 6.621 1.00 0.00 C ATOM 769 CG PRO A 53 12.363 3.585 5.882 1.00 0.00 C ATOM 770 CD PRO A 53 12.305 2.117 6.203 1.00 0.00 C ATOM 0 HA PRO A 53 9.515 3.158 7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.892 5.122 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.524 4.488 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.270 3.754 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.316 4.015 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.643 1.509 5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.939 1.866 7.054 1.00 0.00 H new ATOM 778 N ILE A 54 7.981 2.769 5.582 1.00 0.00 N ATOM 779 CA ILE A 54 6.964 2.903 4.545 1.00 0.00 C ATOM 780 C ILE A 54 6.535 4.357 4.381 1.00 0.00 C ATOM 781 O ILE A 54 5.693 4.854 5.129 1.00 0.00 O ATOM 782 CB ILE A 54 5.724 2.045 4.859 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.137 0.602 5.157 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.741 2.092 3.700 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.848 -0.073 4.005 1.00 0.00 C ATOM 0 H ILE A 54 7.702 2.191 6.375 1.00 0.00 H new ATOM 0 HA ILE A 54 7.412 2.552 3.615 1.00 0.00 H new ATOM 0 HB ILE A 54 5.233 2.452 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.788 0.592 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.249 0.024 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.870 1.481 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.427 3.122 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.221 1.707 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.111 -1.092 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.192 -0.095 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.754 0.482 3.762 1.00 0.00 H new ATOM 797 N ASP A 55 7.118 5.032 3.396 1.00 0.00 N ATOM 798 CA ASP A 55 6.793 6.429 3.131 1.00 0.00 C ATOM 799 C ASP A 55 6.524 6.651 1.646 1.00 0.00 C ATOM 800 O ASP A 55 6.884 5.823 0.810 1.00 0.00 O ATOM 801 CB ASP A 55 7.933 7.336 3.597 1.00 0.00 C ATOM 802 CG ASP A 55 7.459 8.740 3.919 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.973 8.958 5.049 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.577 9.621 3.042 1.00 0.00 O ATOM 0 H ASP A 55 7.817 4.635 2.769 1.00 0.00 H new ATOM 0 HA ASP A 55 5.889 6.679 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.401 6.902 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.697 7.382 2.821 1.00 0.00 H new ATOM 809 N GLN A 56 5.888 7.774 1.327 1.00 0.00 N ATOM 810 CA GLN A 56 5.569 8.103 -0.057 1.00 0.00 C ATOM 811 C GLN A 56 6.839 8.359 -0.863 1.00 0.00 C ATOM 812 O GLN A 56 6.997 7.847 -1.972 1.00 0.00 O ATOM 813 CB GLN A 56 4.659 9.331 -0.115 1.00 0.00 C ATOM 814 CG GLN A 56 4.481 9.892 -1.517 1.00 0.00 C ATOM 815 CD GLN A 56 4.288 8.807 -2.558 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.887 8.850 -3.634 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.450 7.827 -2.245 1.00 0.00 N ATOM 0 H GLN A 56 5.584 8.470 2.007 1.00 0.00 H new ATOM 0 HA GLN A 56 5.048 7.252 -0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.681 9.068 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.071 10.108 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.620 10.561 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.354 10.490 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.975 7.831 -1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.281 7.070 -2.907 1.00 0.00 H new ATOM 915 N CYS A 62 8.857 -1.445 1.064 1.00 0.00 N ATOM 916 CA CYS A 62 8.689 -2.842 1.447 1.00 0.00 C ATOM 917 C CYS A 62 7.271 -3.321 1.147 1.00 0.00 C ATOM 918 O CYS A 62 6.334 -2.525 1.100 1.00 0.00 O ATOM 919 CB CYS A 62 8.998 -3.026 2.934 1.00 0.00 C ATOM 920 SG CYS A 62 8.832 -4.742 3.521 1.00 0.00 S ATOM 0 HA CYS A 62 9.387 -3.440 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.015 -2.684 3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.331 -2.389 3.514 1.00 0.00 H new ATOM 0 HG CYS A 62 8.773 -4.753 4.820 1.00 0.00 H new ATOM 925 N GLN A 63 7.124 -4.627 0.947 1.00 0.00 N ATOM 926 CA GLN A 63 5.821 -5.211 0.652 1.00 0.00 C ATOM 927 C GLN A 63 5.101 -5.612 1.935 1.00 0.00 C ATOM 928 O GLN A 63 3.963 -5.205 2.173 1.00 0.00 O ATOM 929 CB GLN A 63 5.980 -6.430 -0.260 1.00 0.00 C ATOM 930 CG GLN A 63 6.054 -6.079 -1.737 1.00 0.00 C ATOM 931 CD GLN A 63 5.820 -7.278 -2.634 1.00 0.00 C ATOM 932 OE1 GLN A 63 4.927 -7.269 -3.481 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.624 -8.320 -2.452 1.00 0.00 N ATOM 0 H GLN A 63 7.890 -5.300 0.984 1.00 0.00 H new ATOM 0 HA GLN A 63 5.221 -4.458 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.884 -6.969 0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.141 -7.107 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.313 -5.312 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.032 -5.651 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.351 -8.284 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.514 -9.156 -3.026 1.00 0.00 H new ATOM 942 N TYR A 64 5.770 -6.411 2.758 1.00 0.00 N ATOM 943 CA TYR A 64 5.193 -6.869 4.016 1.00 0.00 C ATOM 944 C TYR A 64 4.888 -5.691 4.936 1.00 0.00 C ATOM 945 O TYR A 64 3.741 -5.475 5.329 1.00 0.00 O ATOM 946 CB TYR A 64 6.145 -7.842 4.714 1.00 0.00 C ATOM 947 CG TYR A 64 5.906 -7.960 6.203 1.00 0.00 C ATOM 948 CD1 TYR A 64 5.007 -8.891 6.709 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.577 -7.141 7.102 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.785 -9.003 8.068 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.362 -7.247 8.462 1.00 0.00 C ATOM 952 CZ TYR A 64 5.465 -8.179 8.941 1.00 0.00 C ATOM 953 OH TYR A 64 5.247 -8.286 10.295 1.00 0.00 O ATOM 0 H TYR A 64 6.713 -6.755 2.577 1.00 0.00 H new ATOM 0 HA TYR A 64 4.259 -7.383 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.042 -8.827 4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.172 -7.518 4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.473 -9.538 6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.279 -6.409 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.083 -9.732 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.894 -6.603 9.147 1.00 0.00 H new ATOM 0 HH TYR A 64 5.068 -7.398 10.669 1.00 0.00 H new ATOM 963 N CYS A 65 5.923 -4.930 5.276 1.00 0.00 N ATOM 964 CA CYS A 65 5.768 -3.773 6.150 1.00 0.00 C ATOM 965 C CYS A 65 4.630 -2.878 5.670 1.00 0.00 C ATOM 966 O CYS A 65 3.748 -2.508 6.446 1.00 0.00 O ATOM 967 CB CYS A 65 7.071 -2.973 6.206 1.00 0.00 C ATOM 968 SG CYS A 65 8.418 -3.809 7.105 1.00 0.00 S ATOM 0 H CYS A 65 6.879 -5.094 4.959 1.00 0.00 H new ATOM 0 HA CYS A 65 5.527 -4.133 7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.402 -2.766 5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.874 -2.011 6.680 1.00 0.00 H new ATOM 0 HG CYS A 65 9.555 -3.533 6.538 1.00 0.00 H new ATOM 973 N ARG A 66 4.655 -2.534 4.386 1.00 0.00 N ATOM 974 CA ARG A 66 3.627 -1.681 3.803 1.00 0.00 C ATOM 975 C ARG A 66 2.253 -2.337 3.908 1.00 0.00 C ATOM 976 O ARG A 66 1.328 -1.775 4.496 1.00 0.00 O ATOM 977 CB ARG A 66 3.951 -1.384 2.338 1.00 0.00 C ATOM 978 CG ARG A 66 2.911 -0.516 1.648 1.00 0.00 C ATOM 979 CD ARG A 66 3.384 -0.065 0.275 1.00 0.00 C ATOM 980 NE ARG A 66 2.287 0.452 -0.539 1.00 0.00 N ATOM 981 CZ ARG A 66 2.321 0.511 -1.866 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.391 0.086 -2.524 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.284 0.994 -2.537 1.00 0.00 N ATOM 0 H ARG A 66 5.376 -2.833 3.730 1.00 0.00 H new ATOM 0 HA ARG A 66 3.608 -0.745 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.920 -0.888 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.043 -2.326 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.979 -1.073 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.697 0.357 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.146 0.706 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.854 -0.903 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 66 1.449 0.786 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.190 -0.287 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.415 0.132 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.459 1.321 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.312 1.039 -3.556 1.00 0.00 H new ATOM 997 N LEU A 67 2.127 -3.529 3.335 1.00 0.00 N ATOM 998 CA LEU A 67 0.866 -4.263 3.364 1.00 0.00 C ATOM 999 C LEU A 67 0.306 -4.327 4.781 1.00 0.00 C ATOM 1000 O LEU A 67 -0.884 -4.099 5.000 1.00 0.00 O ATOM 1001 CB LEU A 67 1.064 -5.677 2.817 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.033 -6.687 3.155 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.103 -7.162 4.593 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.408 -6.079 2.919 1.00 0.00 C ATOM 0 H LEU A 67 2.882 -4.008 2.845 1.00 0.00 H new ATOM 0 HA LEU A 67 0.151 -3.734 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.153 -5.616 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.012 -6.061 3.193 1.00 0.00 H new ATOM 0 HG LEU A 67 0.078 -7.550 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.686 -7.880 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.075 -7.637 4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.018 -6.310 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.177 -6.812 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.530 -5.199 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.503 -5.790 1.872 1.00 0.00 H new ATOM 1016 N LYS A 68 1.171 -4.637 5.740 1.00 0.00 N ATOM 1017 CA LYS A 68 0.764 -4.727 7.138 1.00 0.00 C ATOM 1018 C LYS A 68 0.300 -3.371 7.659 1.00 0.00 C ATOM 1019 O LYS A 68 -0.769 -3.257 8.257 1.00 0.00 O ATOM 1020 CB LYS A 68 1.921 -5.246 7.994 1.00 0.00 C ATOM 1021 CG LYS A 68 2.227 -6.718 7.777 1.00 0.00 C ATOM 1022 CD LYS A 68 1.129 -7.605 8.339 1.00 0.00 C ATOM 1023 CE LYS A 68 1.413 -7.999 9.780 1.00 0.00 C ATOM 1024 NZ LYS A 68 2.177 -9.274 9.866 1.00 0.00 N ATOM 0 H LYS A 68 2.159 -4.830 5.575 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.070 -5.425 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.815 -4.662 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.685 -5.084 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.343 -6.913 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.176 -6.967 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.174 -7.082 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.036 -8.502 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.976 -7.204 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.472 -8.102 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.077 -9.675 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.807 -9.948 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.182 -9.090 9.672 1.00 0.00 H new ATOM 1038 N LYS A 69 1.111 -2.344 7.426 1.00 0.00 N ATOM 1039 CA LYS A 69 0.783 -0.994 7.869 1.00 0.00 C ATOM 1040 C LYS A 69 -0.712 -0.726 7.736 1.00 0.00 C ATOM 1041 O LYS A 69 -1.279 0.070 8.485 1.00 0.00 O ATOM 1042 CB LYS A 69 1.571 0.036 7.057 1.00 0.00 C ATOM 1043 CG LYS A 69 1.214 1.475 7.389 1.00 0.00 C ATOM 1044 CD LYS A 69 2.426 2.386 7.299 1.00 0.00 C ATOM 1045 CE LYS A 69 3.175 2.450 8.621 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.567 2.951 8.446 1.00 0.00 N ATOM 0 H LYS A 69 2.000 -2.421 6.933 1.00 0.00 H new ATOM 0 HA LYS A 69 1.057 -0.906 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.636 -0.115 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.394 -0.138 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.442 1.826 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.795 1.524 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.095 2.026 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.109 3.388 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.639 3.101 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.200 1.458 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.005 3.093 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.121 2.256 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.549 3.855 7.931 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.346 -1.395 6.779 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.776 -1.229 6.548 1.00 0.00 C ATOM 1062 C CYS A 70 -3.583 -1.766 7.726 1.00 0.00 C ATOM 1063 O CYS A 70 -4.475 -1.091 8.241 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.193 -1.944 5.262 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.335 -1.358 3.782 1.00 0.00 S ATOM 0 H CYS A 70 -0.892 -2.058 6.151 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.981 -0.163 6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.009 -3.012 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.266 -1.819 5.121 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.925 -0.290 3.332 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.265 -2.985 8.148 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.961 -3.615 9.265 1.00 0.00 C ATOM 1073 C LEU A 71 -3.623 -2.918 10.579 1.00 0.00 C ATOM 1074 O LEU A 71 -4.271 -3.147 11.600 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.593 -5.097 9.350 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.739 -5.901 8.058 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.033 -7.242 8.180 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.209 -6.099 7.717 1.00 0.00 C ATOM 0 H LEU A 71 -2.529 -3.557 7.733 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.033 -3.523 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.560 -5.175 9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.215 -5.562 10.115 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.271 -5.340 7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.148 -7.800 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.973 -7.079 8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.471 -7.810 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.294 -6.673 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.701 -6.638 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.686 -5.128 7.585 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.604 -2.066 10.546 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.181 -1.332 11.733 1.00 0.00 C ATOM 1092 C LYS A 72 -2.917 -0.001 11.840 1.00 0.00 C ATOM 1093 O LYS A 72 -3.578 0.275 12.841 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.670 -1.090 11.696 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.140 -0.371 12.924 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.410 1.122 12.856 1.00 0.00 C ATOM 1097 CE LYS A 72 0.600 1.909 13.677 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.169 2.057 15.095 1.00 0.00 N ATOM 0 H LYS A 72 -2.055 -1.867 9.710 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.425 -1.934 12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.159 -2.048 11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.426 -0.505 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.605 -0.785 13.818 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.932 -0.544 13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.373 1.453 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.416 1.328 13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.567 1.406 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.737 2.896 13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.884 2.599 15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.741 2.559 15.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.062 1.116 15.525 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.800 0.821 10.802 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.456 2.123 10.779 1.00 0.00 C ATOM 1114 C VAL A 73 -4.954 1.988 11.031 1.00 0.00 C ATOM 1115 O VAL A 73 -5.573 2.859 11.640 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.236 2.839 9.434 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.763 3.164 9.237 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.761 1.990 8.286 1.00 0.00 C ATOM 0 H VAL A 73 -2.257 0.608 9.965 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.008 2.717 11.576 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.792 3.776 9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.627 3.670 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.423 3.814 10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.183 2.241 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.597 2.512 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.235 1.036 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.828 1.813 8.422 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.531 0.887 10.558 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.952 0.657 10.742 1.00 0.00 C ATOM 1130 C GLY A 74 -7.556 -0.163 9.620 1.00 0.00 C ATOM 1131 O GLY A 74 -8.469 -0.957 9.845 1.00 0.00 O ATOM 0 H GLY A 74 -5.040 0.151 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.114 0.145 11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.467 1.616 10.805 1.00 0.00 H new ATOM 1135 N MET A 75 -7.048 0.031 8.407 1.00 0.00 N ATOM 1136 CA MET A 75 -7.545 -0.697 7.245 1.00 0.00 C ATOM 1137 C MET A 75 -7.954 -2.116 7.627 1.00 0.00 C ATOM 1138 O MET A 75 -7.107 -2.954 7.936 1.00 0.00 O ATOM 1139 CB MET A 75 -6.479 -0.739 6.149 1.00 0.00 C ATOM 1140 CG MET A 75 -5.858 0.617 5.853 1.00 0.00 C ATOM 1141 SD MET A 75 -4.851 0.608 4.357 1.00 0.00 S ATOM 1142 CE MET A 75 -6.108 0.361 3.105 1.00 0.00 C ATOM 0 H MET A 75 -6.293 0.686 8.203 1.00 0.00 H new ATOM 0 HA MET A 75 -8.423 -0.174 6.868 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.692 -1.433 6.445 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.924 -1.133 5.235 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.649 1.360 5.749 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.242 0.923 6.699 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.659 -0.099 2.225 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.889 -0.291 3.497 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.542 1.322 2.830 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.257 -2.378 7.604 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.778 -3.695 7.949 1.00 0.00 C ATOM 1154 C ARG A 76 -9.997 -4.538 6.696 1.00 0.00 C ATOM 1155 O ARG A 76 -10.534 -4.058 5.698 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.091 -3.561 8.723 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.230 -2.990 7.894 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.266 -2.303 8.770 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.746 -1.078 9.374 1.00 0.00 N ATOM 1160 CZ ARG A 76 -13.247 -0.532 10.476 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.274 -1.100 11.094 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -12.719 0.583 10.964 1.00 0.00 N ATOM 0 H ARG A 76 -9.971 -1.695 7.350 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.043 -4.196 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.383 -4.541 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.928 -2.922 9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.833 -2.278 7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.705 -3.790 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.147 -2.067 8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.587 -2.987 9.556 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.955 -0.617 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.681 -1.959 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.657 -0.678 11.940 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.928 1.021 10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.104 1.002 11.810 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.577 -5.798 6.757 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.726 -6.708 5.627 1.00 0.00 C ATOM 1178 C ARG A 77 -11.199 -6.988 5.345 1.00 0.00 C ATOM 1179 O ARG A 77 -11.632 -6.983 4.193 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.989 -8.020 5.901 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.493 -7.848 6.104 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.752 -9.164 5.929 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.307 -8.971 5.841 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.420 -9.913 6.142 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -4.828 -11.107 6.549 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.121 -9.661 6.037 1.00 0.00 N ATOM 0 H ARG A 77 -9.131 -6.211 7.576 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.290 -6.231 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.416 -8.488 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.158 -8.702 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.110 -7.116 5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.303 -7.452 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.979 -9.822 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.107 -9.663 5.027 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.960 -8.063 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.825 -11.304 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.145 -11.828 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.803 -8.743 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.441 -10.385 6.268 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.963 -7.233 6.405 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.387 -7.516 6.270 1.00 0.00 C ATOM 1202 C GLU A 78 -14.031 -6.591 5.241 1.00 0.00 C ATOM 1203 O GLU A 78 -14.951 -6.986 4.526 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.090 -7.364 7.620 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.986 -5.966 8.206 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.394 -5.913 9.666 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.180 -6.784 10.095 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.927 -5.001 10.379 1.00 0.00 O ATOM 0 H GLU A 78 -11.620 -7.241 7.366 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.496 -8.545 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.142 -7.623 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.663 -8.077 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.961 -5.610 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.617 -5.288 7.632 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.541 -5.358 5.175 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.067 -4.376 4.234 1.00 0.00 C ATOM 1217 C ALA A 79 -13.756 -4.774 2.795 1.00 0.00 C ATOM 1218 O ALA A 79 -14.648 -4.829 1.948 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.500 -2.997 4.537 1.00 0.00 C ATOM 0 H ALA A 79 -12.781 -5.015 5.762 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.150 -4.344 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.901 -2.274 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.778 -2.704 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.414 -3.024 4.453 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.484 -5.049 2.524 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.054 -5.442 1.187 1.00 0.00 C ATOM 1227 C VAL A 80 -13.013 -6.460 0.579 1.00 0.00 C ATOM 1228 O VAL A 80 -13.479 -6.292 -0.547 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.634 -6.038 1.206 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.214 -6.461 -0.193 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.646 -5.039 1.789 1.00 0.00 C ATOM 0 H VAL A 80 -11.733 -5.007 3.213 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.052 -4.539 0.577 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.638 -6.924 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.208 -6.880 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.908 -7.213 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.225 -5.594 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.647 -5.476 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.642 -4.134 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.939 -4.790 2.809 1.00 0.00 H new