USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 34 SER OG : rot 118:sc= 1.23 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.902 USER MOD Set 1.3: A 41 GLN : amide:sc= -0.751 K(o=1.4,f=0.32!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.348 (180deg=-0.556) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.85 K(o=-1.1,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -158:sc= -0.209 (180deg=-0.406) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-0.849!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.25) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00815 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -95:sc= -0.239 USER MOD Single : A 49 SER OG : rot 180:sc= 0.113 USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.711 2.307 -1.991 1.00 0.00 N ATOM 2 CA MET A 1 2.328 0.985 -2.233 1.00 0.00 C ATOM 3 C MET A 1 1.305 0.034 -2.836 1.00 0.00 C ATOM 4 O MET A 1 1.472 -0.434 -3.960 1.00 0.00 O ATOM 5 CB MET A 1 2.889 0.399 -0.935 1.00 0.00 C ATOM 6 CG MET A 1 4.370 0.682 -0.727 1.00 0.00 C ATOM 7 SD MET A 1 5.387 0.141 -2.115 1.00 0.00 S ATOM 8 CE MET A 1 5.654 -1.579 -1.690 1.00 0.00 C ATOM 0 H1 MET A 1 2.402 2.934 -1.533 1.00 0.00 H new ATOM 0 H2 MET A 1 1.414 2.723 -2.897 1.00 0.00 H new ATOM 0 H3 MET A 1 0.882 2.195 -1.373 1.00 0.00 H new ATOM 0 HA MET A 1 3.152 1.115 -2.934 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.329 0.803 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.731 -0.679 -0.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.513 1.752 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.707 0.182 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.269 -2.052 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.162 -1.641 -0.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.694 -2.092 -1.628 1.00 0.00 H new ATOM 20 N THR A 2 0.233 -0.235 -2.099 1.00 0.00 N ATOM 21 CA THR A 2 -0.804 -1.126 -2.587 1.00 0.00 C ATOM 22 C THR A 2 -2.197 -0.519 -2.462 1.00 0.00 C ATOM 23 O THR A 2 -3.193 -1.179 -2.759 1.00 0.00 O ATOM 24 CB THR A 2 -0.769 -2.480 -1.853 1.00 0.00 C ATOM 25 OG1 THR A 2 0.205 -2.446 -0.799 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.441 -3.611 -2.818 1.00 0.00 C ATOM 0 H THR A 2 0.063 0.149 -1.170 1.00 0.00 H new ATOM 0 HA THR A 2 -0.595 -1.283 -3.645 1.00 0.00 H new ATOM 0 HB THR A 2 -1.756 -2.661 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.218 -3.311 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.422 -4.557 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.200 -3.655 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.534 -3.432 -3.270 1.00 0.00 H new ATOM 34 N HIS A 3 -2.282 0.731 -2.030 1.00 0.00 N ATOM 35 CA HIS A 3 -3.573 1.409 -1.998 1.00 0.00 C ATOM 36 C HIS A 3 -3.470 2.808 -2.590 1.00 0.00 C ATOM 37 O HIS A 3 -2.413 3.440 -2.543 1.00 0.00 O ATOM 38 CB HIS A 3 -4.165 1.425 -0.572 1.00 0.00 C ATOM 39 CG HIS A 3 -3.921 2.671 0.233 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.598 3.857 0.028 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.093 2.893 1.277 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.194 4.749 0.913 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.284 4.188 1.686 1.00 0.00 N ATOM 0 H HIS A 3 -1.492 1.288 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.266 0.844 -2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.241 1.270 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.758 0.576 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.406 2.181 1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.548 5.766 0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.801 4.643 2.461 1.00 0.00 H new ATOM 52 N LEU A 4 -4.575 3.277 -3.146 1.00 0.00 N ATOM 53 CA LEU A 4 -4.628 4.585 -3.768 1.00 0.00 C ATOM 54 C LEU A 4 -5.364 5.550 -2.853 1.00 0.00 C ATOM 55 O LEU A 4 -6.162 5.127 -2.013 1.00 0.00 O ATOM 56 CB LEU A 4 -5.342 4.503 -5.123 1.00 0.00 C ATOM 57 CG LEU A 4 -4.484 4.055 -6.313 1.00 0.00 C ATOM 58 CD1 LEU A 4 -3.173 4.815 -6.342 1.00 0.00 C ATOM 59 CD2 LEU A 4 -4.231 2.554 -6.269 1.00 0.00 C ATOM 0 H LEU A 4 -5.455 2.763 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.611 4.942 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.181 3.814 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.759 5.484 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.033 4.279 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.579 4.483 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.373 5.883 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.623 4.627 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.620 2.263 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.709 2.300 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.182 2.023 -6.305 1.00 0.00 H new ATOM 71 N LYS A 5 -5.079 6.829 -2.988 1.00 0.00 N ATOM 72 CA LYS A 5 -5.795 7.844 -2.237 1.00 0.00 C ATOM 73 C LYS A 5 -6.636 8.676 -3.190 1.00 0.00 C ATOM 74 O LYS A 5 -6.111 9.254 -4.142 1.00 0.00 O ATOM 75 CB LYS A 5 -4.806 8.735 -1.481 1.00 0.00 C ATOM 76 CG LYS A 5 -5.456 9.600 -0.415 1.00 0.00 C ATOM 77 CD LYS A 5 -4.416 10.333 0.415 1.00 0.00 C ATOM 78 CE LYS A 5 -4.432 11.826 0.134 1.00 0.00 C ATOM 79 NZ LYS A 5 -3.234 12.512 0.690 1.00 0.00 N ATOM 0 H LYS A 5 -4.357 7.192 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.449 7.363 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.048 8.106 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.291 9.378 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.122 10.322 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.070 8.978 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.605 10.159 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.426 9.931 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.477 11.992 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.333 12.266 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.285 13.528 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.204 12.377 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.375 12.111 0.263 1.00 0.00 H new ATOM 93 N ILE A 6 -7.934 8.739 -2.944 1.00 0.00 N ATOM 94 CA ILE A 6 -8.828 9.453 -3.837 1.00 0.00 C ATOM 95 C ILE A 6 -8.891 10.932 -3.460 1.00 0.00 C ATOM 96 O ILE A 6 -8.874 11.288 -2.280 1.00 0.00 O ATOM 97 CB ILE A 6 -10.238 8.813 -3.864 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.917 9.094 -5.205 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.100 9.296 -2.709 1.00 0.00 C ATOM 100 CD1 ILE A 6 -10.955 7.894 -6.122 1.00 0.00 C ATOM 0 H ILE A 6 -8.389 8.308 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.426 9.378 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.119 7.736 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.936 9.435 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.393 9.908 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.081 8.823 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.623 9.033 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.215 10.378 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.450 8.164 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.937 7.565 -6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.505 7.085 -5.640 1.00 0.00 H new ATOM 112 N THR A 7 -8.921 11.792 -4.468 1.00 0.00 N ATOM 113 CA THR A 7 -8.836 13.225 -4.241 1.00 0.00 C ATOM 114 C THR A 7 -9.924 13.993 -4.986 1.00 0.00 C ATOM 115 O THR A 7 -10.500 14.939 -4.452 1.00 0.00 O ATOM 116 CB THR A 7 -7.455 13.745 -4.676 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.676 12.658 -5.202 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.720 14.377 -3.510 1.00 0.00 C ATOM 0 H THR A 7 -9.003 11.522 -5.448 1.00 0.00 H new ATOM 0 HA THR A 7 -8.981 13.392 -3.174 1.00 0.00 H new ATOM 0 HB THR A 7 -7.600 14.504 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.797 12.990 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.747 14.736 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.302 15.213 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.582 13.636 -2.722 1.00 0.00 H new ATOM 126 N GLY A 8 -10.208 13.574 -6.214 1.00 0.00 N ATOM 127 CA GLY A 8 -11.184 14.275 -7.036 1.00 0.00 C ATOM 128 C GLY A 8 -12.604 14.141 -6.518 1.00 0.00 C ATOM 129 O GLY A 8 -13.473 14.944 -6.859 1.00 0.00 O ATOM 0 H GLY A 8 -9.781 12.761 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.919 15.331 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.137 13.889 -8.054 1.00 0.00 H new ATOM 133 N MET A 9 -12.826 13.129 -5.690 1.00 0.00 N ATOM 134 CA MET A 9 -14.140 12.844 -5.124 1.00 0.00 C ATOM 135 C MET A 9 -13.999 11.736 -4.096 1.00 0.00 C ATOM 136 O MET A 9 -13.481 10.667 -4.406 1.00 0.00 O ATOM 137 CB MET A 9 -15.130 12.438 -6.218 1.00 0.00 C ATOM 138 CG MET A 9 -16.345 13.349 -6.297 1.00 0.00 C ATOM 139 SD MET A 9 -16.829 14.003 -4.686 1.00 0.00 S ATOM 140 CE MET A 9 -16.297 15.705 -4.847 1.00 0.00 C ATOM 0 H MET A 9 -12.098 12.480 -5.390 1.00 0.00 H new ATOM 0 HA MET A 9 -14.530 13.743 -4.646 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.619 12.441 -7.181 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.462 11.416 -6.037 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.130 14.178 -6.972 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.181 12.797 -6.727 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.157 16.138 -3.856 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.356 15.742 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.054 16.273 -5.387 1.00 0.00 H new ATOM 150 N THR A 10 -14.459 11.985 -2.879 1.00 0.00 N ATOM 151 CA THR A 10 -14.106 11.139 -1.753 1.00 0.00 C ATOM 152 C THR A 10 -15.247 10.246 -1.277 1.00 0.00 C ATOM 153 O THR A 10 -15.047 9.053 -1.079 1.00 0.00 O ATOM 154 CB THR A 10 -13.640 12.005 -0.577 1.00 0.00 C ATOM 155 OG1 THR A 10 -14.043 13.365 -0.788 1.00 0.00 O ATOM 156 CG2 THR A 10 -12.130 11.935 -0.418 1.00 0.00 C ATOM 0 H THR A 10 -15.076 12.764 -2.648 1.00 0.00 H new ATOM 0 HA THR A 10 -13.308 10.486 -2.106 1.00 0.00 H new ATOM 0 HB THR A 10 -14.100 11.625 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.745 13.915 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.823 12.557 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.831 10.903 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.651 12.294 -1.329 1.00 0.00 H new ATOM 164 N CYS A 11 -16.415 10.849 -1.055 1.00 0.00 N ATOM 165 CA CYS A 11 -17.548 10.187 -0.395 1.00 0.00 C ATOM 166 C CYS A 11 -18.054 8.916 -1.107 1.00 0.00 C ATOM 167 O CYS A 11 -17.313 7.967 -1.336 1.00 0.00 O ATOM 168 CB CYS A 11 -18.686 11.196 -0.276 1.00 0.00 C ATOM 169 SG CYS A 11 -18.692 12.438 -1.591 1.00 0.00 S ATOM 0 H CYS A 11 -16.606 11.813 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.194 9.850 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.636 10.662 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -18.615 11.700 0.688 1.00 0.00 H new ATOM 174 N ASP A 12 -19.319 8.924 -1.500 1.00 0.00 N ATOM 175 CA ASP A 12 -19.959 7.722 -2.022 1.00 0.00 C ATOM 176 C ASP A 12 -20.085 7.817 -3.534 1.00 0.00 C ATOM 177 O ASP A 12 -19.848 8.882 -4.102 1.00 0.00 O ATOM 178 CB ASP A 12 -21.341 7.542 -1.380 1.00 0.00 C ATOM 179 CG ASP A 12 -21.929 6.154 -1.573 1.00 0.00 C ATOM 180 OD1 ASP A 12 -21.165 5.234 -1.945 1.00 0.00 O ATOM 181 OD2 ASP A 12 -23.143 5.967 -1.355 1.00 0.00 O ATOM 0 H ASP A 12 -19.922 9.746 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.345 6.855 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.266 7.750 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.026 8.279 -1.800 1.00 0.00 H new ATOM 186 N SER A 13 -20.458 6.702 -4.170 1.00 0.00 N ATOM 187 CA SER A 13 -20.571 6.600 -5.631 1.00 0.00 C ATOM 188 C SER A 13 -19.189 6.610 -6.288 1.00 0.00 C ATOM 189 O SER A 13 -18.837 5.692 -7.028 1.00 0.00 O ATOM 190 CB SER A 13 -21.456 7.717 -6.205 1.00 0.00 C ATOM 191 OG SER A 13 -22.509 8.047 -5.310 1.00 0.00 O ATOM 0 H SER A 13 -20.692 5.837 -3.683 1.00 0.00 H new ATOM 0 HA SER A 13 -21.050 5.648 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.850 8.602 -6.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 -21.873 7.400 -7.161 1.00 0.00 H new ATOM 0 HG SER A 13 -23.056 8.761 -5.698 1.00 0.00 H new ATOM 197 N CYS A 14 -18.407 7.641 -6.005 1.00 0.00 N ATOM 198 CA CYS A 14 -17.046 7.734 -6.502 1.00 0.00 C ATOM 199 C CYS A 14 -16.202 6.592 -5.948 1.00 0.00 C ATOM 200 O CYS A 14 -15.580 5.847 -6.708 1.00 0.00 O ATOM 201 CB CYS A 14 -16.446 9.078 -6.109 1.00 0.00 C ATOM 202 SG CYS A 14 -17.679 10.304 -5.614 1.00 0.00 S ATOM 0 H CYS A 14 -18.697 8.431 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.057 7.656 -7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.745 8.927 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.873 9.470 -6.949 1.00 0.00 H new ATOM 207 N ALA A 15 -16.211 6.440 -4.624 1.00 0.00 N ATOM 208 CA ALA A 15 -15.508 5.342 -3.966 1.00 0.00 C ATOM 209 C ALA A 15 -16.277 4.030 -4.131 1.00 0.00 C ATOM 210 O ALA A 15 -16.509 3.302 -3.168 1.00 0.00 O ATOM 211 CB ALA A 15 -15.292 5.658 -2.492 1.00 0.00 C ATOM 0 H ALA A 15 -16.700 7.067 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.533 5.224 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.767 4.830 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.698 6.567 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.257 5.804 -2.006 1.00 0.00 H new ATOM 217 N ALA A 16 -16.665 3.748 -5.366 1.00 0.00 N ATOM 218 CA ALA A 16 -17.407 2.547 -5.705 1.00 0.00 C ATOM 219 C ALA A 16 -17.349 2.330 -7.210 1.00 0.00 C ATOM 220 O ALA A 16 -16.996 1.250 -7.675 1.00 0.00 O ATOM 221 CB ALA A 16 -18.848 2.652 -5.232 1.00 0.00 C ATOM 0 H ALA A 16 -16.471 4.352 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.955 1.693 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.385 1.741 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.867 2.783 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.326 3.507 -5.710 1.00 0.00 H new ATOM 227 N HIS A 17 -17.662 3.379 -7.965 1.00 0.00 N ATOM 228 CA HIS A 17 -17.521 3.350 -9.417 1.00 0.00 C ATOM 229 C HIS A 17 -16.057 3.148 -9.786 1.00 0.00 C ATOM 230 O HIS A 17 -15.729 2.465 -10.758 1.00 0.00 O ATOM 231 CB HIS A 17 -18.044 4.651 -10.029 1.00 0.00 C ATOM 232 CG HIS A 17 -18.678 4.480 -11.377 1.00 0.00 C ATOM 233 ND1 HIS A 17 -19.867 5.079 -11.733 1.00 0.00 N ATOM 234 CD2 HIS A 17 -18.271 3.787 -12.469 1.00 0.00 C ATOM 235 CE1 HIS A 17 -20.163 4.761 -12.980 1.00 0.00 C ATOM 236 NE2 HIS A 17 -19.212 3.982 -13.449 1.00 0.00 N ATOM 0 H HIS A 17 -18.016 4.261 -7.594 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.108 2.521 -9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -18.773 5.093 -9.350 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.219 5.358 -10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.373 3.192 -12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.038 5.086 -13.523 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.179 3.587 -14.389 1.00 0.00 H new ATOM 245 N VAL A 18 -15.185 3.743 -8.983 1.00 0.00 N ATOM 246 CA VAL A 18 -13.749 3.581 -9.144 1.00 0.00 C ATOM 247 C VAL A 18 -13.356 2.142 -8.830 1.00 0.00 C ATOM 248 O VAL A 18 -12.527 1.549 -9.514 1.00 0.00 O ATOM 249 CB VAL A 18 -12.977 4.555 -8.224 1.00 0.00 C ATOM 250 CG1 VAL A 18 -11.512 4.164 -8.097 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.102 5.982 -8.740 1.00 0.00 C ATOM 0 H VAL A 18 -15.452 4.348 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.488 3.811 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.422 4.496 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.002 4.871 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.438 3.162 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.045 4.179 -9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.553 6.656 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.689 6.042 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.153 6.271 -8.761 1.00 0.00 H new ATOM 261 N LYS A 19 -13.990 1.580 -7.806 1.00 0.00 N ATOM 262 CA LYS A 19 -13.767 0.194 -7.428 1.00 0.00 C ATOM 263 C LYS A 19 -14.198 -0.730 -8.563 1.00 0.00 C ATOM 264 O LYS A 19 -13.524 -1.707 -8.863 1.00 0.00 O ATOM 265 CB LYS A 19 -14.539 -0.128 -6.145 1.00 0.00 C ATOM 266 CG LYS A 19 -14.672 -1.611 -5.852 1.00 0.00 C ATOM 267 CD LYS A 19 -16.056 -1.958 -5.328 1.00 0.00 C ATOM 268 CE LYS A 19 -17.086 -1.993 -6.448 1.00 0.00 C ATOM 269 NZ LYS A 19 -17.619 -3.360 -6.671 1.00 0.00 N ATOM 0 H LYS A 19 -14.667 2.070 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.705 0.039 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.040 0.353 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.536 0.307 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.473 -2.181 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.921 -1.906 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.025 -2.928 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.357 -1.225 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.907 -1.319 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.633 -1.626 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.270 -3.725 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.303 -3.985 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.658 -3.329 -6.687 1.00 0.00 H new ATOM 283 N GLU A 20 -15.318 -0.400 -9.197 1.00 0.00 N ATOM 284 CA GLU A 20 -15.811 -1.172 -10.334 1.00 0.00 C ATOM 285 C GLU A 20 -14.841 -1.068 -11.506 1.00 0.00 C ATOM 286 O GLU A 20 -14.517 -2.068 -12.157 1.00 0.00 O ATOM 287 CB GLU A 20 -17.194 -0.675 -10.755 1.00 0.00 C ATOM 288 CG GLU A 20 -18.313 -1.150 -9.849 1.00 0.00 C ATOM 289 CD GLU A 20 -19.546 -0.279 -9.957 1.00 0.00 C ATOM 290 OE1 GLU A 20 -20.396 -0.551 -10.827 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.674 0.679 -9.173 1.00 0.00 O ATOM 0 H GLU A 20 -15.902 0.397 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.889 -2.217 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.189 0.415 -10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.396 -1.008 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.573 -2.177 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.964 -1.156 -8.816 1.00 0.00 H new ATOM 298 N ALA A 21 -14.378 0.150 -11.763 1.00 0.00 N ATOM 299 CA ALA A 21 -13.400 0.394 -12.813 1.00 0.00 C ATOM 300 C ALA A 21 -12.130 -0.400 -12.549 1.00 0.00 C ATOM 301 O ALA A 21 -11.570 -1.014 -13.452 1.00 0.00 O ATOM 302 CB ALA A 21 -13.089 1.879 -12.907 1.00 0.00 C ATOM 0 H ALA A 21 -14.667 0.986 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.820 0.066 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.356 2.048 -13.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.002 2.428 -13.136 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.685 2.227 -11.956 1.00 0.00 H new ATOM 308 N LEU A 22 -11.693 -0.389 -11.300 1.00 0.00 N ATOM 309 CA LEU A 22 -10.526 -1.148 -10.890 1.00 0.00 C ATOM 310 C LEU A 22 -10.789 -2.643 -11.016 1.00 0.00 C ATOM 311 O LEU A 22 -9.944 -3.384 -11.507 1.00 0.00 O ATOM 312 CB LEU A 22 -10.139 -0.790 -9.453 1.00 0.00 C ATOM 313 CG LEU A 22 -8.887 0.086 -9.301 1.00 0.00 C ATOM 314 CD1 LEU A 22 -8.345 0.525 -10.656 1.00 0.00 C ATOM 315 CD2 LEU A 22 -9.194 1.299 -8.437 1.00 0.00 C ATOM 0 H LEU A 22 -12.134 0.142 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.696 -0.890 -11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.979 -0.275 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.983 -1.714 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.118 -0.513 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.459 1.143 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.082 -0.354 -11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.106 1.100 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.298 1.911 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.985 1.887 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.520 0.970 -7.450 1.00 0.00 H new ATOM 327 N GLU A 23 -11.973 -3.073 -10.594 1.00 0.00 N ATOM 328 CA GLU A 23 -12.369 -4.478 -10.677 1.00 0.00 C ATOM 329 C GLU A 23 -12.392 -4.957 -12.128 1.00 0.00 C ATOM 330 O GLU A 23 -12.210 -6.144 -12.404 1.00 0.00 O ATOM 331 CB GLU A 23 -13.747 -4.680 -10.047 1.00 0.00 C ATOM 332 CG GLU A 23 -13.702 -4.984 -8.557 1.00 0.00 C ATOM 333 CD GLU A 23 -15.075 -4.970 -7.908 1.00 0.00 C ATOM 334 OE1 GLU A 23 -16.033 -4.471 -8.542 1.00 0.00 O ATOM 335 OE2 GLU A 23 -15.212 -5.460 -6.764 1.00 0.00 O ATOM 0 H GLU A 23 -12.683 -2.464 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.633 -5.066 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.345 -3.783 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.255 -5.497 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.244 -5.961 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.064 -4.252 -8.061 1.00 0.00 H new ATOM 342 N LYS A 24 -12.628 -4.030 -13.048 1.00 0.00 N ATOM 343 CA LYS A 24 -12.640 -4.349 -14.472 1.00 0.00 C ATOM 344 C LYS A 24 -11.214 -4.565 -14.998 1.00 0.00 C ATOM 345 O LYS A 24 -11.015 -5.166 -16.056 1.00 0.00 O ATOM 346 CB LYS A 24 -13.363 -3.233 -15.249 1.00 0.00 C ATOM 347 CG LYS A 24 -12.489 -2.464 -16.233 1.00 0.00 C ATOM 348 CD LYS A 24 -13.078 -1.100 -16.557 1.00 0.00 C ATOM 349 CE LYS A 24 -12.045 0.005 -16.409 1.00 0.00 C ATOM 350 NZ LYS A 24 -12.579 1.327 -16.832 1.00 0.00 N ATOM 0 H LYS A 24 -12.814 -3.050 -12.834 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.184 -5.282 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.198 -3.673 -15.794 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.786 -2.528 -14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.491 -2.340 -15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.379 -3.041 -17.151 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.465 -1.103 -17.576 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.922 -0.901 -15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.720 0.061 -15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.166 -0.238 -17.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.843 2.052 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.866 1.282 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.403 1.572 -16.246 1.00 0.00 H new ATOM 364 N VAL A 25 -10.230 -4.080 -14.250 1.00 0.00 N ATOM 365 CA VAL A 25 -8.830 -4.222 -14.629 1.00 0.00 C ATOM 366 C VAL A 25 -8.272 -5.561 -14.142 1.00 0.00 C ATOM 367 O VAL A 25 -8.407 -5.905 -12.968 1.00 0.00 O ATOM 368 CB VAL A 25 -7.968 -3.069 -14.060 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.544 -3.140 -14.588 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.590 -1.721 -14.389 1.00 0.00 C ATOM 0 H VAL A 25 -10.378 -3.582 -13.372 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.785 -4.184 -15.717 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.934 -3.180 -12.976 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.960 -2.318 -14.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.094 -4.089 -14.295 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.555 -3.064 -15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.969 -0.924 -13.980 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.661 -1.607 -15.471 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.587 -1.664 -13.952 1.00 0.00 H new ATOM 380 N PRO A 26 -7.657 -6.343 -15.044 1.00 0.00 N ATOM 381 CA PRO A 26 -7.065 -7.640 -14.695 1.00 0.00 C ATOM 382 C PRO A 26 -5.941 -7.516 -13.667 1.00 0.00 C ATOM 383 O PRO A 26 -5.168 -6.553 -13.676 1.00 0.00 O ATOM 384 CB PRO A 26 -6.517 -8.164 -16.029 1.00 0.00 C ATOM 385 CG PRO A 26 -7.231 -7.383 -17.077 1.00 0.00 C ATOM 386 CD PRO A 26 -7.504 -6.038 -16.472 1.00 0.00 C ATOM 0 HA PRO A 26 -7.797 -8.302 -14.233 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.439 -8.019 -16.096 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.703 -9.232 -16.139 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.623 -7.290 -17.977 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.159 -7.876 -17.368 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.685 -5.341 -16.650 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.404 -5.584 -16.886 1.00 0.00 H new ATOM 394 N GLY A 27 -5.857 -8.498 -12.784 1.00 0.00 N ATOM 395 CA GLY A 27 -4.880 -8.466 -11.714 1.00 0.00 C ATOM 396 C GLY A 27 -5.448 -7.830 -10.467 1.00 0.00 C ATOM 397 O GLY A 27 -4.783 -7.745 -9.441 1.00 0.00 O ATOM 0 H GLY A 27 -6.454 -9.325 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.551 -9.481 -11.489 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.000 -7.911 -12.039 1.00 0.00 H new ATOM 401 N VAL A 28 -6.678 -7.361 -10.563 1.00 0.00 N ATOM 402 CA VAL A 28 -7.383 -6.852 -9.406 1.00 0.00 C ATOM 403 C VAL A 28 -8.253 -7.956 -8.816 1.00 0.00 C ATOM 404 O VAL A 28 -9.335 -8.255 -9.324 1.00 0.00 O ATOM 405 CB VAL A 28 -8.246 -5.625 -9.760 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.168 -5.243 -8.607 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.359 -4.449 -10.144 1.00 0.00 C ATOM 0 H VAL A 28 -7.209 -7.323 -11.433 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.646 -6.531 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.871 -5.889 -10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.763 -4.374 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.831 -6.078 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.571 -5.003 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.982 -3.589 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.707 -4.196 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.752 -4.718 -11.008 1.00 0.00 H new ATOM 417 N GLN A 29 -7.757 -8.581 -7.760 1.00 0.00 N ATOM 418 CA GLN A 29 -8.468 -9.677 -7.128 1.00 0.00 C ATOM 419 C GLN A 29 -9.631 -9.150 -6.305 1.00 0.00 C ATOM 420 O GLN A 29 -10.742 -9.672 -6.377 1.00 0.00 O ATOM 421 CB GLN A 29 -7.527 -10.492 -6.246 1.00 0.00 C ATOM 422 CG GLN A 29 -7.672 -11.991 -6.430 1.00 0.00 C ATOM 423 CD GLN A 29 -7.197 -12.773 -5.223 1.00 0.00 C ATOM 424 OE1 GLN A 29 -7.575 -12.478 -4.091 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.373 -13.778 -5.460 1.00 0.00 N ATOM 0 H GLN A 29 -6.865 -8.347 -7.324 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.858 -10.327 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.498 -10.205 -6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.713 -10.242 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.717 -12.230 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.105 -12.303 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.085 -13.987 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.024 -14.345 -4.687 1.00 0.00 H new ATOM 434 N SER A 30 -9.377 -8.104 -5.532 1.00 0.00 N ATOM 435 CA SER A 30 -10.418 -7.501 -4.708 1.00 0.00 C ATOM 436 C SER A 30 -10.110 -6.034 -4.445 1.00 0.00 C ATOM 437 O SER A 30 -8.970 -5.595 -4.599 1.00 0.00 O ATOM 438 CB SER A 30 -10.562 -8.247 -3.375 1.00 0.00 C ATOM 439 OG SER A 30 -9.633 -9.316 -3.265 1.00 0.00 O ATOM 0 H SER A 30 -8.464 -7.656 -5.457 1.00 0.00 H new ATOM 0 HA SER A 30 -11.359 -7.574 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.413 -7.550 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.576 -8.636 -3.284 1.00 0.00 H new ATOM 0 HG SER A 30 -9.753 -9.767 -2.403 1.00 0.00 H new ATOM 445 N ALA A 31 -11.130 -5.279 -4.065 1.00 0.00 N ATOM 446 CA ALA A 31 -10.962 -3.872 -3.739 1.00 0.00 C ATOM 447 C ALA A 31 -11.579 -3.550 -2.384 1.00 0.00 C ATOM 448 O ALA A 31 -12.569 -4.163 -1.975 1.00 0.00 O ATOM 449 CB ALA A 31 -11.573 -2.999 -4.825 1.00 0.00 C ATOM 0 H ALA A 31 -12.087 -5.620 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.894 -3.661 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.439 -1.949 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.081 -3.204 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.637 -3.218 -4.912 1.00 0.00 H new ATOM 455 N LEU A 32 -10.987 -2.597 -1.689 1.00 0.00 N ATOM 456 CA LEU A 32 -11.479 -2.169 -0.393 1.00 0.00 C ATOM 457 C LEU A 32 -11.558 -0.651 -0.347 1.00 0.00 C ATOM 458 O LEU A 32 -10.624 0.018 0.090 1.00 0.00 O ATOM 459 CB LEU A 32 -10.568 -2.683 0.723 1.00 0.00 C ATOM 460 CG LEU A 32 -11.291 -3.303 1.920 1.00 0.00 C ATOM 461 CD1 LEU A 32 -10.387 -4.295 2.631 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.756 -2.222 2.883 1.00 0.00 C ATOM 0 H LEU A 32 -10.155 -2.099 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.476 -2.584 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.890 -3.426 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.954 -1.856 1.079 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.168 -3.836 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.917 -4.727 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.102 -5.088 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.492 -3.783 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.268 -2.683 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.894 -1.661 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.440 -1.546 2.369 1.00 0.00 H new ATOM 474 N VAL A 33 -12.668 -0.113 -0.816 1.00 0.00 N ATOM 475 CA VAL A 33 -12.852 1.327 -0.849 1.00 0.00 C ATOM 476 C VAL A 33 -13.633 1.797 0.371 1.00 0.00 C ATOM 477 O VAL A 33 -14.666 1.224 0.720 1.00 0.00 O ATOM 478 CB VAL A 33 -13.580 1.790 -2.130 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.578 2.070 -3.241 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.610 0.764 -2.582 1.00 0.00 C ATOM 0 H VAL A 33 -13.455 -0.650 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.857 1.772 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.110 2.714 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.108 2.395 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.891 2.853 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.016 1.162 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.105 1.119 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.113 -0.184 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.351 0.621 -1.795 1.00 0.00 H new ATOM 490 N SER A 34 -13.121 2.822 1.028 1.00 0.00 N ATOM 491 CA SER A 34 -13.787 3.394 2.185 1.00 0.00 C ATOM 492 C SER A 34 -14.218 4.825 1.887 1.00 0.00 C ATOM 493 O SER A 34 -13.382 5.733 1.829 1.00 0.00 O ATOM 494 CB SER A 34 -12.861 3.356 3.403 1.00 0.00 C ATOM 495 OG SER A 34 -11.540 2.993 3.031 1.00 0.00 O ATOM 0 H SER A 34 -12.243 3.277 0.779 1.00 0.00 H new ATOM 0 HA SER A 34 -14.675 2.802 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.850 4.333 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.245 2.644 4.133 1.00 0.00 H new ATOM 0 HG SER A 34 -10.928 3.730 3.238 1.00 0.00 H new ATOM 501 N TYR A 35 -15.522 5.016 1.698 1.00 0.00 N ATOM 502 CA TYR A 35 -16.072 6.322 1.336 1.00 0.00 C ATOM 503 C TYR A 35 -15.852 7.375 2.438 1.00 0.00 C ATOM 504 O TYR A 35 -15.364 8.468 2.147 1.00 0.00 O ATOM 505 CB TYR A 35 -17.566 6.226 0.974 1.00 0.00 C ATOM 506 CG TYR A 35 -18.145 4.825 0.966 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.902 3.958 -0.092 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.915 4.362 2.028 1.00 0.00 C ATOM 509 CE1 TYR A 35 -18.409 2.674 -0.095 1.00 0.00 C ATOM 510 CE2 TYR A 35 -19.429 3.077 2.031 1.00 0.00 C ATOM 511 CZ TYR A 35 -19.241 2.267 0.936 1.00 0.00 C ATOM 512 OH TYR A 35 -19.675 0.955 0.975 1.00 0.00 O ATOM 0 H TYR A 35 -16.221 4.279 1.790 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.525 6.651 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.133 6.831 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.712 6.667 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.306 4.295 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -19.115 5.016 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.159 1.992 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.975 2.713 2.889 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.250 0.824 1.758 1.00 0.00 H new ATOM 522 N PRO A 36 -16.176 7.080 3.721 1.00 0.00 N ATOM 523 CA PRO A 36 -15.986 8.043 4.821 1.00 0.00 C ATOM 524 C PRO A 36 -14.516 8.248 5.195 1.00 0.00 C ATOM 525 O PRO A 36 -14.206 8.770 6.264 1.00 0.00 O ATOM 526 CB PRO A 36 -16.739 7.408 5.986 1.00 0.00 C ATOM 527 CG PRO A 36 -16.700 5.950 5.705 1.00 0.00 C ATOM 528 CD PRO A 36 -16.774 5.820 4.210 1.00 0.00 C ATOM 0 HA PRO A 36 -16.344 9.034 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.265 7.641 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.764 7.774 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.785 5.501 6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.534 5.437 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.221 4.950 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.803 5.705 3.868 1.00 0.00 H new ATOM 536 N LYS A 37 -13.617 7.819 4.319 1.00 0.00 N ATOM 537 CA LYS A 37 -12.188 7.982 4.545 1.00 0.00 C ATOM 538 C LYS A 37 -11.507 8.496 3.283 1.00 0.00 C ATOM 539 O LYS A 37 -10.613 9.342 3.346 1.00 0.00 O ATOM 540 CB LYS A 37 -11.550 6.657 4.967 1.00 0.00 C ATOM 541 CG LYS A 37 -12.179 6.030 6.201 1.00 0.00 C ATOM 542 CD LYS A 37 -11.132 5.403 7.106 1.00 0.00 C ATOM 543 CE LYS A 37 -10.915 3.936 6.774 1.00 0.00 C ATOM 544 NZ LYS A 37 -11.592 3.032 7.743 1.00 0.00 N ATOM 0 H LYS A 37 -13.854 7.354 3.443 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.055 8.708 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.620 5.952 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.489 6.821 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.731 6.790 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.899 5.271 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.191 5.943 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.444 5.499 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.288 3.734 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.846 3.722 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.416 2.042 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.218 3.205 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.615 3.216 7.733 1.00 0.00 H new ATOM 558 N GLY A 38 -11.947 7.988 2.140 1.00 0.00 N ATOM 559 CA GLY A 38 -11.349 8.368 0.877 1.00 0.00 C ATOM 560 C GLY A 38 -10.214 7.443 0.498 1.00 0.00 C ATOM 561 O GLY A 38 -9.351 7.794 -0.310 1.00 0.00 O ATOM 0 H GLY A 38 -12.711 7.316 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.108 8.353 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.979 9.391 0.942 1.00 0.00 H new ATOM 565 N THR A 39 -10.214 6.252 1.083 1.00 0.00 N ATOM 566 CA THR A 39 -9.148 5.295 0.841 1.00 0.00 C ATOM 567 C THR A 39 -9.562 4.257 -0.191 1.00 0.00 C ATOM 568 O THR A 39 -10.633 3.655 -0.092 1.00 0.00 O ATOM 569 CB THR A 39 -8.730 4.575 2.135 1.00 0.00 C ATOM 570 OG1 THR A 39 -9.636 4.901 3.198 1.00 0.00 O ATOM 571 CG2 THR A 39 -7.315 4.962 2.530 1.00 0.00 C ATOM 0 H THR A 39 -10.938 5.929 1.725 1.00 0.00 H new ATOM 0 HA THR A 39 -8.299 5.863 0.461 1.00 0.00 H new ATOM 0 HB THR A 39 -8.762 3.501 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.362 4.436 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.038 4.442 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.626 4.683 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.264 6.038 2.693 1.00 0.00 H new ATOM 579 N ALA A 40 -8.712 4.057 -1.186 1.00 0.00 N ATOM 580 CA ALA A 40 -8.953 3.051 -2.197 1.00 0.00 C ATOM 581 C ALA A 40 -7.946 1.923 -2.056 1.00 0.00 C ATOM 582 O ALA A 40 -6.944 1.874 -2.773 1.00 0.00 O ATOM 583 CB ALA A 40 -8.886 3.665 -3.588 1.00 0.00 C ATOM 0 H ALA A 40 -7.847 4.583 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.954 2.643 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.070 2.893 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.642 4.445 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.898 4.097 -3.748 1.00 0.00 H new ATOM 589 N GLN A 41 -8.192 1.043 -1.098 1.00 0.00 N ATOM 590 CA GLN A 41 -7.330 -0.107 -0.889 1.00 0.00 C ATOM 591 C GLN A 41 -7.647 -1.169 -1.927 1.00 0.00 C ATOM 592 O GLN A 41 -8.779 -1.255 -2.406 1.00 0.00 O ATOM 593 CB GLN A 41 -7.506 -0.665 0.522 1.00 0.00 C ATOM 594 CG GLN A 41 -6.927 0.233 1.600 1.00 0.00 C ATOM 595 CD GLN A 41 -7.948 0.619 2.653 1.00 0.00 C ATOM 596 OE1 GLN A 41 -8.952 1.264 2.355 1.00 0.00 O ATOM 597 NE2 GLN A 41 -7.694 0.231 3.891 1.00 0.00 N ATOM 0 H GLN A 41 -8.981 1.104 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.290 0.202 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.568 -0.815 0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.030 -1.644 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.091 -0.276 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.528 1.136 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.849 -0.303 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.343 0.465 4.642 1.00 0.00 H new ATOM 606 N LEU A 42 -6.661 -1.970 -2.280 1.00 0.00 N ATOM 607 CA LEU A 42 -6.833 -2.928 -3.354 1.00 0.00 C ATOM 608 C LEU A 42 -5.966 -4.159 -3.155 1.00 0.00 C ATOM 609 O LEU A 42 -4.829 -4.073 -2.688 1.00 0.00 O ATOM 610 CB LEU A 42 -6.500 -2.280 -4.699 1.00 0.00 C ATOM 611 CG LEU A 42 -7.658 -1.532 -5.359 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.251 -0.101 -5.679 1.00 0.00 C ATOM 613 CD2 LEU A 42 -8.110 -2.257 -6.616 1.00 0.00 C ATOM 0 H LEU A 42 -5.739 -1.977 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.876 -3.243 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.673 -1.585 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.151 -3.054 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.496 -1.502 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.086 0.418 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.975 0.413 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.400 -0.108 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.935 -1.711 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.280 -2.317 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.440 -3.263 -6.357 1.00 0.00 H new ATOM 625 N ALA A 43 -6.519 -5.299 -3.515 1.00 0.00 N ATOM 626 CA ALA A 43 -5.782 -6.541 -3.530 1.00 0.00 C ATOM 627 C ALA A 43 -5.423 -6.886 -4.965 1.00 0.00 C ATOM 628 O ALA A 43 -6.113 -7.670 -5.625 1.00 0.00 O ATOM 629 CB ALA A 43 -6.594 -7.655 -2.887 1.00 0.00 C ATOM 0 H ALA A 43 -7.493 -5.388 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.866 -6.428 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.021 -8.582 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.819 -7.391 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.525 -7.791 -3.438 1.00 0.00 H new ATOM 635 N ILE A 44 -4.372 -6.248 -5.451 1.00 0.00 N ATOM 636 CA ILE A 44 -3.906 -6.451 -6.814 1.00 0.00 C ATOM 637 C ILE A 44 -2.825 -7.527 -6.855 1.00 0.00 C ATOM 638 O ILE A 44 -2.627 -8.257 -5.881 1.00 0.00 O ATOM 639 CB ILE A 44 -3.351 -5.143 -7.429 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.514 -4.375 -6.399 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.488 -4.272 -7.951 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.411 -3.540 -7.013 1.00 0.00 C ATOM 0 H ILE A 44 -3.820 -5.578 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.765 -6.772 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.706 -5.406 -8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.171 -3.725 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.073 -5.085 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.078 -3.357 -8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.041 -4.816 -8.717 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.159 -4.019 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.862 -3.026 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.730 -4.187 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.845 -2.805 -7.691 1.00 0.00 H new ATOM 654 N VAL A 45 -2.118 -7.604 -7.979 1.00 0.00 N ATOM 655 CA VAL A 45 -1.070 -8.597 -8.193 1.00 0.00 C ATOM 656 C VAL A 45 -0.143 -8.115 -9.310 1.00 0.00 C ATOM 657 O VAL A 45 -0.588 -7.393 -10.204 1.00 0.00 O ATOM 658 CB VAL A 45 -1.622 -9.994 -8.609 1.00 0.00 C ATOM 659 CG1 VAL A 45 -0.954 -11.096 -7.799 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.136 -10.100 -8.480 1.00 0.00 C ATOM 0 H VAL A 45 -2.257 -6.976 -8.771 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.549 -8.708 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.382 -10.117 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.352 -12.064 -8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.122 -11.075 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.152 -10.939 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.458 -11.096 -8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.426 -9.926 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.609 -9.354 -9.119 1.00 0.00 H new ATOM 670 N PRO A 46 1.161 -8.478 -9.252 1.00 0.00 N ATOM 671 CA PRO A 46 2.158 -8.116 -10.265 1.00 0.00 C ATOM 672 C PRO A 46 1.613 -8.199 -11.686 1.00 0.00 C ATOM 673 O PRO A 46 1.197 -9.265 -12.152 1.00 0.00 O ATOM 674 CB PRO A 46 3.283 -9.143 -10.057 1.00 0.00 C ATOM 675 CG PRO A 46 2.849 -10.015 -8.920 1.00 0.00 C ATOM 676 CD PRO A 46 1.780 -9.260 -8.185 1.00 0.00 C ATOM 0 HA PRO A 46 2.484 -7.082 -10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.444 -9.732 -10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.226 -8.646 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.468 -10.968 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.688 -10.239 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.066 -9.930 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.196 -8.624 -7.403 1.00 0.00 H new ATOM 684 N GLY A 47 1.615 -7.065 -12.358 1.00 0.00 N ATOM 685 CA GLY A 47 1.018 -6.963 -13.669 1.00 0.00 C ATOM 686 C GLY A 47 0.156 -5.730 -13.763 1.00 0.00 C ATOM 687 O GLY A 47 0.172 -5.017 -14.765 1.00 0.00 O ATOM 0 H GLY A 47 2.027 -6.198 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.799 -6.927 -14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.417 -7.850 -13.871 1.00 0.00 H new ATOM 691 N THR A 48 -0.601 -5.481 -12.707 1.00 0.00 N ATOM 692 CA THR A 48 -1.373 -4.260 -12.596 1.00 0.00 C ATOM 693 C THR A 48 -0.501 -3.148 -12.053 1.00 0.00 C ATOM 694 O THR A 48 -0.304 -3.016 -10.844 1.00 0.00 O ATOM 695 CB THR A 48 -2.604 -4.456 -11.691 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.989 -5.838 -11.694 1.00 0.00 O ATOM 697 CG2 THR A 48 -3.769 -3.602 -12.165 1.00 0.00 C ATOM 0 H THR A 48 -0.696 -6.113 -11.912 1.00 0.00 H new ATOM 0 HA THR A 48 -1.727 -3.991 -13.591 1.00 0.00 H new ATOM 0 HB THR A 48 -2.340 -4.148 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.695 -5.979 -12.359 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.625 -3.759 -11.509 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.482 -2.551 -12.142 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.036 -3.883 -13.184 1.00 0.00 H new ATOM 705 N SER A 49 0.049 -2.372 -12.968 1.00 0.00 N ATOM 706 CA SER A 49 0.955 -1.306 -12.623 1.00 0.00 C ATOM 707 C SER A 49 0.253 -0.228 -11.799 1.00 0.00 C ATOM 708 O SER A 49 -0.893 0.123 -12.079 1.00 0.00 O ATOM 709 CB SER A 49 1.535 -0.714 -13.905 1.00 0.00 C ATOM 710 OG SER A 49 1.137 -1.477 -15.038 1.00 0.00 O ATOM 0 H SER A 49 -0.123 -2.467 -13.969 1.00 0.00 H new ATOM 0 HA SER A 49 1.761 -1.708 -12.009 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.200 0.317 -14.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.623 -0.690 -13.841 1.00 0.00 H new ATOM 0 HG SER A 49 1.517 -1.080 -15.849 1.00 0.00 H new ATOM 716 N PRO A 50 0.922 0.306 -10.763 1.00 0.00 N ATOM 717 CA PRO A 50 0.358 1.372 -9.934 1.00 0.00 C ATOM 718 C PRO A 50 0.007 2.605 -10.748 1.00 0.00 C ATOM 719 O PRO A 50 -0.980 3.288 -10.471 1.00 0.00 O ATOM 720 CB PRO A 50 1.470 1.691 -8.932 1.00 0.00 C ATOM 721 CG PRO A 50 2.334 0.476 -8.917 1.00 0.00 C ATOM 722 CD PRO A 50 2.260 -0.103 -10.302 1.00 0.00 C ATOM 0 HA PRO A 50 -0.574 1.063 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.034 2.573 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.063 1.898 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.361 0.731 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.985 -0.242 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.046 0.291 -10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.369 -1.187 -10.292 1.00 0.00 H new ATOM 730 N ASP A 51 0.805 2.874 -11.766 1.00 0.00 N ATOM 731 CA ASP A 51 0.524 3.970 -12.677 1.00 0.00 C ATOM 732 C ASP A 51 -0.758 3.678 -13.441 1.00 0.00 C ATOM 733 O ASP A 51 -1.505 4.586 -13.786 1.00 0.00 O ATOM 734 CB ASP A 51 1.703 4.174 -13.638 1.00 0.00 C ATOM 735 CG ASP A 51 1.281 4.616 -15.025 1.00 0.00 C ATOM 736 OD1 ASP A 51 0.953 3.745 -15.854 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.253 5.838 -15.287 1.00 0.00 O ATOM 0 H ASP A 51 1.652 2.349 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 51 0.390 4.891 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.380 4.918 -13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.263 3.242 -13.717 1.00 0.00 H new ATOM 742 N ALA A 52 -1.033 2.398 -13.648 1.00 0.00 N ATOM 743 CA ALA A 52 -2.191 1.984 -14.431 1.00 0.00 C ATOM 744 C ALA A 52 -3.463 2.130 -13.613 1.00 0.00 C ATOM 745 O ALA A 52 -4.522 2.454 -14.147 1.00 0.00 O ATOM 746 CB ALA A 52 -2.030 0.555 -14.929 1.00 0.00 C ATOM 0 H ALA A 52 -0.471 1.628 -13.285 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.264 2.635 -15.302 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.907 0.271 -15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.141 0.486 -15.557 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.926 -0.117 -14.078 1.00 0.00 H new ATOM 752 N LEU A 53 -3.340 1.909 -12.311 1.00 0.00 N ATOM 753 CA LEU A 53 -4.466 2.016 -11.395 1.00 0.00 C ATOM 754 C LEU A 53 -4.844 3.480 -11.227 1.00 0.00 C ATOM 755 O LEU A 53 -5.995 3.877 -11.428 1.00 0.00 O ATOM 756 CB LEU A 53 -4.105 1.417 -10.033 1.00 0.00 C ATOM 757 CG LEU A 53 -4.211 -0.110 -9.920 1.00 0.00 C ATOM 758 CD1 LEU A 53 -2.855 -0.720 -9.601 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.223 -0.494 -8.852 1.00 0.00 C ATOM 0 H LEU A 53 -2.461 1.652 -11.862 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.311 1.464 -11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.084 1.709 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.753 1.863 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.549 -0.501 -10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.952 -1.803 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.149 -0.474 -10.394 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.490 -0.321 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.286 -1.580 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.909 -0.088 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.200 -0.089 -9.115 1.00 0.00 H new ATOM 771 N THR A 54 -3.843 4.278 -10.881 1.00 0.00 N ATOM 772 CA THR A 54 -4.010 5.711 -10.729 1.00 0.00 C ATOM 773 C THR A 54 -4.565 6.320 -12.016 1.00 0.00 C ATOM 774 O THR A 54 -5.484 7.140 -11.982 1.00 0.00 O ATOM 775 CB THR A 54 -2.667 6.377 -10.374 1.00 0.00 C ATOM 776 OG1 THR A 54 -1.965 5.564 -9.423 1.00 0.00 O ATOM 777 CG2 THR A 54 -2.877 7.772 -9.799 1.00 0.00 C ATOM 0 H THR A 54 -2.895 3.948 -10.699 1.00 0.00 H new ATOM 0 HA THR A 54 -4.716 5.889 -9.918 1.00 0.00 H new ATOM 0 HB THR A 54 -2.080 6.471 -11.288 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.424 4.898 -9.898 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.911 8.216 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.390 8.394 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.481 7.705 -8.894 1.00 0.00 H new ATOM 785 N ALA A 55 -4.012 5.896 -13.148 1.00 0.00 N ATOM 786 CA ALA A 55 -4.465 6.371 -14.452 1.00 0.00 C ATOM 787 C ALA A 55 -5.880 5.896 -14.751 1.00 0.00 C ATOM 788 O ALA A 55 -6.649 6.602 -15.391 1.00 0.00 O ATOM 789 CB ALA A 55 -3.518 5.926 -15.552 1.00 0.00 C ATOM 0 H ALA A 55 -3.247 5.222 -13.189 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.470 7.461 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.878 6.293 -16.513 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.523 6.328 -15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.472 4.837 -15.574 1.00 0.00 H new ATOM 795 N ALA A 56 -6.219 4.694 -14.291 1.00 0.00 N ATOM 796 CA ALA A 56 -7.562 4.156 -14.481 1.00 0.00 C ATOM 797 C ALA A 56 -8.580 4.985 -13.714 1.00 0.00 C ATOM 798 O ALA A 56 -9.706 5.182 -14.171 1.00 0.00 O ATOM 799 CB ALA A 56 -7.627 2.699 -14.048 1.00 0.00 C ATOM 0 H ALA A 56 -5.584 4.076 -13.786 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.802 4.207 -15.543 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.638 2.319 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.926 2.111 -14.641 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.364 2.621 -12.993 1.00 0.00 H new ATOM 805 N VAL A 57 -8.176 5.472 -12.548 1.00 0.00 N ATOM 806 CA VAL A 57 -9.029 6.342 -11.751 1.00 0.00 C ATOM 807 C VAL A 57 -9.079 7.734 -12.365 1.00 0.00 C ATOM 808 O VAL A 57 -10.138 8.363 -12.421 1.00 0.00 O ATOM 809 CB VAL A 57 -8.543 6.447 -10.290 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.516 7.273 -9.464 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.363 5.066 -9.680 1.00 0.00 C ATOM 0 H VAL A 57 -7.264 5.279 -12.134 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.025 5.900 -11.746 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.575 6.948 -10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.158 7.337 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.591 8.276 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.498 6.800 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.020 5.165 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.314 4.534 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.625 4.507 -10.256 1.00 0.00 H new ATOM 821 N ALA A 58 -7.929 8.209 -12.837 1.00 0.00 N ATOM 822 CA ALA A 58 -7.863 9.508 -13.495 1.00 0.00 C ATOM 823 C ALA A 58 -8.677 9.488 -14.787 1.00 0.00 C ATOM 824 O ALA A 58 -9.413 10.425 -15.094 1.00 0.00 O ATOM 825 CB ALA A 58 -6.417 9.887 -13.781 1.00 0.00 C ATOM 0 H ALA A 58 -7.037 7.717 -12.776 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.289 10.258 -12.828 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.386 10.859 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.862 9.936 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.966 9.137 -14.431 1.00 0.00 H new ATOM 831 N GLY A 59 -8.550 8.389 -15.524 1.00 0.00 N ATOM 832 CA GLY A 59 -9.278 8.218 -16.763 1.00 0.00 C ATOM 833 C GLY A 59 -10.743 7.916 -16.531 1.00 0.00 C ATOM 834 O GLY A 59 -11.551 7.980 -17.458 1.00 0.00 O ATOM 0 H GLY A 59 -7.946 7.605 -15.278 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.186 9.123 -17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.829 7.408 -17.337 1.00 0.00 H new ATOM 838 N LEU A 60 -11.089 7.570 -15.296 1.00 0.00 N ATOM 839 CA LEU A 60 -12.486 7.376 -14.921 1.00 0.00 C ATOM 840 C LEU A 60 -13.187 8.717 -14.734 1.00 0.00 C ATOM 841 O LEU A 60 -14.377 8.772 -14.420 1.00 0.00 O ATOM 842 CB LEU A 60 -12.588 6.551 -13.640 1.00 0.00 C ATOM 843 CG LEU A 60 -13.471 5.308 -13.727 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.911 5.640 -13.363 1.00 0.00 C ATOM 845 CD2 LEU A 60 -13.398 4.687 -15.115 1.00 0.00 C ATOM 0 H LEU A 60 -10.423 7.418 -14.538 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.979 6.835 -15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.585 6.243 -13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.970 7.192 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.097 4.579 -13.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.521 4.739 -13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.949 6.027 -12.345 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.296 6.392 -14.051 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.035 3.803 -15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.738 5.411 -15.856 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.369 4.402 -15.332 1.00 0.00 H new ATOM 857 N GLY A 61 -12.444 9.796 -14.928 1.00 0.00 N ATOM 858 CA GLY A 61 -13.005 11.120 -14.774 1.00 0.00 C ATOM 859 C GLY A 61 -12.820 11.646 -13.373 1.00 0.00 C ATOM 860 O GLY A 61 -13.264 12.747 -13.048 1.00 0.00 O ATOM 0 H GLY A 61 -11.459 9.777 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.533 11.800 -15.483 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.068 11.095 -15.016 1.00 0.00 H new ATOM 864 N TYR A 62 -12.149 10.863 -12.544 1.00 0.00 N ATOM 865 CA TYR A 62 -11.899 11.243 -11.167 1.00 0.00 C ATOM 866 C TYR A 62 -10.425 11.574 -10.984 1.00 0.00 C ATOM 867 O TYR A 62 -9.702 11.761 -11.962 1.00 0.00 O ATOM 868 CB TYR A 62 -12.314 10.115 -10.220 1.00 0.00 C ATOM 869 CG TYR A 62 -13.809 9.878 -10.176 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.658 10.803 -9.582 1.00 0.00 C ATOM 871 CD2 TYR A 62 -14.368 8.733 -10.728 1.00 0.00 C ATOM 872 CE1 TYR A 62 -16.023 10.592 -9.537 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.731 8.515 -10.690 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.555 9.444 -10.096 1.00 0.00 C ATOM 875 OH TYR A 62 -17.913 9.229 -10.058 1.00 0.00 O ATOM 0 H TYR A 62 -11.766 9.954 -12.805 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.492 12.126 -10.929 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.818 9.194 -10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.962 10.348 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.245 11.702 -9.148 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -13.726 8.001 -11.195 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.670 11.319 -9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.149 7.619 -11.125 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.122 8.377 -10.495 1.00 0.00 H new ATOM 885 N LYS A 63 -9.980 11.649 -9.742 1.00 0.00 N ATOM 886 CA LYS A 63 -8.586 11.933 -9.457 1.00 0.00 C ATOM 887 C LYS A 63 -8.135 11.174 -8.221 1.00 0.00 C ATOM 888 O LYS A 63 -8.779 11.235 -7.171 1.00 0.00 O ATOM 889 CB LYS A 63 -8.368 13.436 -9.266 1.00 0.00 C ATOM 890 CG LYS A 63 -6.913 13.821 -9.039 1.00 0.00 C ATOM 891 CD LYS A 63 -6.040 13.402 -10.211 1.00 0.00 C ATOM 892 CE LYS A 63 -4.563 13.436 -9.847 1.00 0.00 C ATOM 893 NZ LYS A 63 -4.096 14.815 -9.539 1.00 0.00 N ATOM 0 H LYS A 63 -10.564 11.517 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.988 11.605 -10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.741 13.962 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.961 13.775 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.838 14.899 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.549 13.351 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.314 12.396 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.223 14.065 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.387 12.793 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.977 13.031 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.077 14.798 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.271 15.432 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.613 15.180 -8.714 1.00 0.00 H new ATOM 907 N ALA A 64 -7.041 10.443 -8.364 1.00 0.00 N ATOM 908 CA ALA A 64 -6.442 9.721 -7.254 1.00 0.00 C ATOM 909 C ALA A 64 -4.931 9.878 -7.288 1.00 0.00 C ATOM 910 O ALA A 64 -4.372 10.325 -8.288 1.00 0.00 O ATOM 911 CB ALA A 64 -6.824 8.247 -7.305 1.00 0.00 C ATOM 0 H ALA A 64 -6.545 10.334 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.819 10.139 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.366 7.723 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.908 8.150 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.472 7.812 -8.240 1.00 0.00 H new ATOM 917 N THR A 65 -4.280 9.533 -6.190 1.00 0.00 N ATOM 918 CA THR A 65 -2.830 9.606 -6.099 1.00 0.00 C ATOM 919 C THR A 65 -2.269 8.353 -5.434 1.00 0.00 C ATOM 920 O THR A 65 -2.883 7.806 -4.513 1.00 0.00 O ATOM 921 CB THR A 65 -2.393 10.846 -5.302 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.487 11.769 -5.198 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.204 11.529 -5.964 1.00 0.00 C ATOM 0 H THR A 65 -4.737 9.197 -5.342 1.00 0.00 H new ATOM 0 HA THR A 65 -2.438 9.680 -7.113 1.00 0.00 H new ATOM 0 HB THR A 65 -2.092 10.523 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.203 12.556 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.915 12.403 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.366 10.833 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.478 11.840 -6.972 1.00 0.00 H new ATOM 931 N LEU A 66 -1.123 7.886 -5.913 1.00 0.00 N ATOM 932 CA LEU A 66 -0.463 6.732 -5.320 1.00 0.00 C ATOM 933 C LEU A 66 0.204 7.129 -4.007 1.00 0.00 C ATOM 934 O LEU A 66 1.260 7.771 -3.995 1.00 0.00 O ATOM 935 CB LEU A 66 0.562 6.130 -6.288 1.00 0.00 C ATOM 936 CG LEU A 66 1.250 4.849 -5.804 1.00 0.00 C ATOM 937 CD1 LEU A 66 0.291 3.670 -5.864 1.00 0.00 C ATOM 938 CD2 LEU A 66 2.495 4.570 -6.634 1.00 0.00 C ATOM 0 H LEU A 66 -0.632 8.289 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.215 5.971 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.063 5.919 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.328 6.879 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 66 1.551 4.990 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.798 2.770 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.571 3.869 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.043 3.524 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.973 3.657 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.215 4.449 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.190 5.404 -6.539 1.00 0.00 H new ATOM 950 N ALA A 67 -0.430 6.757 -2.907 1.00 0.00 N ATOM 951 CA ALA A 67 0.047 7.097 -1.581 1.00 0.00 C ATOM 952 C ALA A 67 -0.491 6.099 -0.576 1.00 0.00 C ATOM 953 O ALA A 67 -1.693 6.047 -0.324 1.00 0.00 O ATOM 954 CB ALA A 67 -0.376 8.510 -1.207 1.00 0.00 C ATOM 0 H ALA A 67 -1.291 6.210 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 67 1.136 7.057 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.009 8.747 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.041 9.217 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.464 8.580 -1.220 1.00 0.00 H new ATOM 960 N ASP A 68 0.395 5.282 -0.041 1.00 0.00 N ATOM 961 CA ASP A 68 0.010 4.281 0.940 1.00 0.00 C ATOM 962 C ASP A 68 -0.160 4.894 2.325 1.00 0.00 C ATOM 963 O ASP A 68 -0.229 6.117 2.468 1.00 0.00 O ATOM 964 CB ASP A 68 1.040 3.171 1.016 1.00 0.00 C ATOM 965 CG ASP A 68 0.382 1.819 0.970 1.00 0.00 C ATOM 966 OD1 ASP A 68 -0.047 1.414 -0.127 1.00 0.00 O ATOM 967 OD2 ASP A 68 0.278 1.169 2.026 1.00 0.00 O ATOM 0 H ASP A 68 1.389 5.290 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.945 3.869 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.743 3.265 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.616 3.268 1.936 1.00 0.00 H new ATOM 972 N ALA A 69 -0.212 4.022 3.335 1.00 0.00 N ATOM 973 CA ALA A 69 -0.371 4.425 4.731 1.00 0.00 C ATOM 974 C ALA A 69 -1.744 5.039 4.976 1.00 0.00 C ATOM 975 O ALA A 69 -2.579 5.036 4.046 1.00 0.00 O ATOM 976 CB ALA A 69 0.738 5.382 5.161 1.00 0.00 C ATOM 977 OXT ALA A 69 -1.993 5.509 6.100 1.00 0.00 O ATOM 0 H ALA A 69 -0.145 3.013 3.205 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.293 3.526 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.592 5.663 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.705 4.892 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.710 6.275 4.537 1.00 0.00 H new TER 983 ALA A 69 HETATM 984 HG HG A 70 -18.191 11.369 -3.605 1.00 0.00 HG2+